smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(C)CCN(CC)C(=O)C1(C[NH+](C)C)CC1 ZINC001635757780 1166618084 /nfs/dbraw/zinc/61/80/84/1166618084.db2.gz LOGKPYHRRYRPIP-UHFFFAOYSA-N 1 3 267.417 1.295 10 30 CDEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001565825969 1168174496 /nfs/dbraw/zinc/17/44/96/1168174496.db2.gz CJZASCMPSXWRFJ-CYBMUJFWSA-N 1 3 253.390 1.047 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCNC(=O)[C@H](CC)N(C)C ZINC001566492504 1168308618 /nfs/dbraw/zinc/30/86/18/1168308618.db2.gz JVCPDHYODAZYRS-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)C[N@H+](C)CCCNC(=O)[C@H](CC)N(C)C ZINC001566492504 1168308625 /nfs/dbraw/zinc/30/86/25/1168308625.db2.gz JVCPDHYODAZYRS-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001567409768 1168741916 /nfs/dbraw/zinc/74/19/16/1168741916.db2.gz OPHPRMATTUDTII-OAHLLOKOSA-N 1 3 295.471 1.979 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001567409768 1168741918 /nfs/dbraw/zinc/74/19/18/1168741918.db2.gz OPHPRMATTUDTII-OAHLLOKOSA-N 1 3 295.471 1.979 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001266438705 894894365 /nfs/dbraw/zinc/89/43/65/894894365.db2.gz DAPXNRQZVIFGOO-HUUCEWRRSA-N 1 3 279.428 1.080 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266560834 895360446 /nfs/dbraw/zinc/36/04/46/895360446.db2.gz YYIWCSZTZBIGGI-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266560834 895360463 /nfs/dbraw/zinc/36/04/63/895360463.db2.gz YYIWCSZTZBIGGI-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001266562585 895372744 /nfs/dbraw/zinc/37/27/44/895372744.db2.gz HKADQLQZEZCHER-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001266562585 895372757 /nfs/dbraw/zinc/37/27/57/895372757.db2.gz HKADQLQZEZCHER-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001481112770 898883939 /nfs/dbraw/zinc/88/39/39/898883939.db2.gz RZWDBDNNGGYATK-JKSUJKDBSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001481112770 898883949 /nfs/dbraw/zinc/88/39/49/898883949.db2.gz RZWDBDNNGGYATK-JKSUJKDBSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001567742835 1168945061 /nfs/dbraw/zinc/94/50/61/1168945061.db2.gz VIYBOQJUCXGNOE-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001567742835 1168945069 /nfs/dbraw/zinc/94/50/69/1168945069.db2.gz VIYBOQJUCXGNOE-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[NH2+]CCC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001482009786 902463326 /nfs/dbraw/zinc/46/33/26/902463326.db2.gz JTXBQAWKPKSJBL-UHFFFAOYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCF)CC1 ZINC001268759598 903093358 /nfs/dbraw/zinc/09/33/58/903093358.db2.gz MQDUZLQXUFEEQD-AWEZNQCLSA-N 1 3 297.418 1.128 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCF)CC1 ZINC001268759598 903093371 /nfs/dbraw/zinc/09/33/71/903093371.db2.gz MQDUZLQXUFEEQD-AWEZNQCLSA-N 1 3 297.418 1.128 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001269980845 904249553 /nfs/dbraw/zinc/24/95/53/904249553.db2.gz ICGXEFZNLQGHJM-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001270021839 904280151 /nfs/dbraw/zinc/28/01/51/904280151.db2.gz JHCUILPQNJKSRR-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001271402435 906305273 /nfs/dbraw/zinc/30/52/73/906305273.db2.gz FBIWYZHVPKPJLE-HUUCEWRRSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCC1 ZINC001484663447 916010758 /nfs/dbraw/zinc/01/07/58/916010758.db2.gz UOBVOEHAHCVKSZ-HUUCEWRRSA-N 1 3 291.439 1.511 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001485050749 916432795 /nfs/dbraw/zinc/43/27/95/916432795.db2.gz PEUJOFORKQMVAA-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001485050749 916432806 /nfs/dbraw/zinc/43/28/06/916432806.db2.gz PEUJOFORKQMVAA-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001485727673 917238073 /nfs/dbraw/zinc/23/80/73/917238073.db2.gz YOAILVWGZHPSSH-KGLIPLIRSA-N 1 3 267.417 1.080 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCC=C)CC1 ZINC001274840930 931589714 /nfs/dbraw/zinc/58/97/14/931589714.db2.gz MNXLIRUIDYXISB-HNNXBMFYSA-N 1 3 291.439 1.392 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001275143813 931678772 /nfs/dbraw/zinc/67/87/72/931678772.db2.gz QYSYEWSDACDIAX-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001275143813 931678775 /nfs/dbraw/zinc/67/87/75/931678775.db2.gz QYSYEWSDACDIAX-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001568554881 1169366206 /nfs/dbraw/zinc/36/62/06/1169366206.db2.gz YEOKVSAGYKBXGI-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001122243158 937915409 /nfs/dbraw/zinc/91/54/09/937915409.db2.gz SOGBUOPRLYXQNO-QWRGUYRKSA-N 1 3 259.781 1.057 10 30 CDEEHO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001331462907 945173138 /nfs/dbraw/zinc/17/31/38/945173138.db2.gz ZIZOLWHRDUSMCP-KGLIPLIRSA-N 1 3 285.407 1.126 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001265072879 944220139 /nfs/dbraw/zinc/22/01/39/944220139.db2.gz INXJQGGUSURIEJ-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001265091248 944225001 /nfs/dbraw/zinc/22/50/01/944225001.db2.gz DEFHTAABWZULAO-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001265775887 944504463 /nfs/dbraw/zinc/50/44/63/944504463.db2.gz ZVBVXCAGSWTUNW-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCC[N@@H+](C)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001265923673 944577235 /nfs/dbraw/zinc/57/72/35/944577235.db2.gz USUARQPDCCHICK-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCC[N@H+](C)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001265923673 944577246 /nfs/dbraw/zinc/57/72/46/944577246.db2.gz USUARQPDCCHICK-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001266015450 944634168 /nfs/dbraw/zinc/63/41/68/944634168.db2.gz FBFJGZQMLVKBEO-HNNXBMFYSA-N 1 3 295.471 1.979 10 30 CDEEHO C=C(C)C[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001266183631 944738708 /nfs/dbraw/zinc/73/87/08/944738708.db2.gz LBGXPIIOVAJYQR-UHFFFAOYSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001316642793 953727190 /nfs/dbraw/zinc/72/71/90/953727190.db2.gz WALQXLOCVSAPBT-VGWMRTNUSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001325527366 953948894 /nfs/dbraw/zinc/94/88/94/953948894.db2.gz RQUXHEXEZOIWLD-KGLIPLIRSA-N 1 3 279.428 1.341 10 30 CDEEHO CC#CCN1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001325947343 954152458 /nfs/dbraw/zinc/15/24/58/954152458.db2.gz ZAAJLLNLBZHQRH-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001326285161 954300983 /nfs/dbraw/zinc/30/09/83/954300983.db2.gz AXNHJBQYXBDTRQ-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCC1 ZINC001326897881 954606679 /nfs/dbraw/zinc/60/66/79/954606679.db2.gz CVKVTSJVYCKBID-OAHLLOKOSA-N 1 3 291.439 1.513 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001493498289 972070336 /nfs/dbraw/zinc/07/03/36/972070336.db2.gz ATPYJGOULCKCPM-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001329321426 955823771 /nfs/dbraw/zinc/82/37/71/955823771.db2.gz QYYVFYNNEQQLRP-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001493869494 972130891 /nfs/dbraw/zinc/13/08/91/972130891.db2.gz BCFCFQXTONZHLL-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001493869494 972130893 /nfs/dbraw/zinc/13/08/93/972130893.db2.gz BCFCFQXTONZHLL-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001331529635 957121142 /nfs/dbraw/zinc/12/11/42/957121142.db2.gz LTCBLAPSUZXXGH-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001331529635 957121149 /nfs/dbraw/zinc/12/11/49/957121149.db2.gz LTCBLAPSUZXXGH-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001332043720 957412800 /nfs/dbraw/zinc/41/28/00/957412800.db2.gz ASEANILTGVJPPH-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001317343818 957431769 /nfs/dbraw/zinc/43/17/69/957431769.db2.gz NJGVSCUJUFTUMB-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001318848097 958280370 /nfs/dbraw/zinc/28/03/70/958280370.db2.gz CSIAHESGJIBBSI-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001318931645 958311231 /nfs/dbraw/zinc/31/12/31/958311231.db2.gz RWCDCRUUCQXXHO-UHFFFAOYSA-N 1 3 293.455 1.877 10 30 CDEEHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CN(C)CC(C)(C)C ZINC001319635476 958666028 /nfs/dbraw/zinc/66/60/28/958666028.db2.gz WHLLDGZBUXILJT-OAHLLOKOSA-N 1 3 295.471 1.718 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001320646821 959294088 /nfs/dbraw/zinc/29/40/88/959294088.db2.gz YSJFTPXCDWMYKG-KGLIPLIRSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC)C1CC[NH2+]CC1 ZINC001342851684 963841130 /nfs/dbraw/zinc/84/11/30/963841130.db2.gz GLKKAGTWNFNMQW-LLVKDONJSA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001441376746 964482708 /nfs/dbraw/zinc/48/27/08/964482708.db2.gz DUZHLLHPYSUUSI-MGPQQGTHSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001441376746 964482715 /nfs/dbraw/zinc/48/27/15/964482715.db2.gz DUZHLLHPYSUUSI-MGPQQGTHSA-N 1 3 299.846 1.565 10 30 CDEEHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001500356029 974426315 /nfs/dbraw/zinc/42/63/15/974426315.db2.gz JFQUYEIMJZYHIK-GDBMZVCRSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376337988 974634714 /nfs/dbraw/zinc/63/47/14/974634714.db2.gz CSFNXDXNHIZXTF-UONOGXRCSA-N 1 3 299.846 1.661 10 30 CDEEHO C#CC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001507446291 975473120 /nfs/dbraw/zinc/47/31/20/975473120.db2.gz SGWJYOBIDWZDQH-AWEZNQCLSA-N 1 3 293.455 1.424 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001674759095 1174005805 /nfs/dbraw/zinc/00/58/05/1174005805.db2.gz ASETWFRMYYPWKZ-RYUDHWBXSA-N 1 3 278.400 1.710 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001676250317 1174196773 /nfs/dbraw/zinc/19/67/73/1174196773.db2.gz WOJRLQJNTIBLTH-ZBFHGGJFSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CC[C@@H]1CCN(CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000625700685 342194113 /nfs/dbraw/zinc/19/41/13/342194113.db2.gz KVYQLGZWCYPYRI-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594439633 342906507 /nfs/dbraw/zinc/90/65/07/342906507.db2.gz TUWJICFFSSRSDZ-KBPBESRZSA-N 1 3 280.416 1.198 10 30 CDEEHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594439633 342906509 /nfs/dbraw/zinc/90/65/09/342906509.db2.gz TUWJICFFSSRSDZ-KBPBESRZSA-N 1 3 280.416 1.198 10 30 CDEEHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)CCCCC#N)C[C@@H]1C[NH3+] ZINC000594449560 342909527 /nfs/dbraw/zinc/90/95/27/342909527.db2.gz KIAGZCIKNUYQHZ-RFGFWPKPSA-N 1 3 280.416 1.229 10 30 CDEEHO C[C@H](CNC[C@H](O)CC1(C#N)CC1)C[NH+]1CCCC1 ZINC000600717261 342244311 /nfs/dbraw/zinc/24/43/11/342244311.db2.gz PRSJHSATCZAQQN-ZIAGYGMSSA-N 1 3 265.401 1.363 10 30 CDEEHO C[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)CN1CCCC1 ZINC000600717261 342244312 /nfs/dbraw/zinc/24/43/12/342244312.db2.gz PRSJHSATCZAQQN-ZIAGYGMSSA-N 1 3 265.401 1.363 10 30 CDEEHO Cc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C#N ZINC000600712302 349876678 /nfs/dbraw/zinc/87/66/78/349876678.db2.gz WRVPGAITWSIVME-QGZVFWFLSA-N 1 3 284.407 1.346 10 30 CDEEHO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001663104906 1172636141 /nfs/dbraw/zinc/63/61/41/1172636141.db2.gz NIXIARBIXOYLKE-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001663104906 1172636147 /nfs/dbraw/zinc/63/61/47/1172636147.db2.gz NIXIARBIXOYLKE-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[C@@]1(C(=O)N2CC[C@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000662708570 413356982 /nfs/dbraw/zinc/35/69/82/413356982.db2.gz MYUKZGRUUMKJNV-HOCLYGCPSA-N 1 3 277.412 1.381 10 30 CDEEHO C=CC[C@@]1(C(=O)N[C@H]2CCN(CC3CC3)C2)CCC[NH2+]1 ZINC000662719622 413378626 /nfs/dbraw/zinc/37/86/26/413378626.db2.gz HPMVEIGCDXPBNS-HOCLYGCPSA-N 1 3 277.412 1.285 10 30 CDEEHO C=CCNC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293738 414620681 /nfs/dbraw/zinc/62/06/81/414620681.db2.gz IUCBBPLGQPCANB-AWEZNQCLSA-N 1 3 265.401 1.000 10 30 CDEEHO CN1CC[C@H](C[N@H+](C)Cc2cc(C#CCCO)cs2)C1 ZINC000071190487 176066447 /nfs/dbraw/zinc/06/64/47/176066447.db2.gz ZOTAQKFXUOETTO-HNNXBMFYSA-N 1 3 292.448 1.866 10 30 CDEEHO CN1CC[C@H](C[N@@H+](C)Cc2cc(C#CCCO)cs2)C1 ZINC000071190487 176066449 /nfs/dbraw/zinc/06/64/49/176066449.db2.gz ZOTAQKFXUOETTO-HNNXBMFYSA-N 1 3 292.448 1.866 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001666162286 1173114457 /nfs/dbraw/zinc/11/44/57/1173114457.db2.gz LRKDBQOMIHKRDJ-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001673380291 1173850863 /nfs/dbraw/zinc/85/08/63/1173850863.db2.gz KDLMLRUZTAYTPM-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001673380291 1173850865 /nfs/dbraw/zinc/85/08/65/1173850865.db2.gz KDLMLRUZTAYTPM-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO CCN1CCC[C@@H]1CN(C)C(NC1CCC1)=[NH+]C ZINC000262791694 330031778 /nfs/dbraw/zinc/03/17/78/330031778.db2.gz OGGOYOHPUOCGKS-CYBMUJFWSA-N 1 3 252.406 1.530 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001691446744 1159306229 /nfs/dbraw/zinc/30/62/29/1159306229.db2.gz CWLQOARNPVOPLT-ZNMIVQPWSA-N 1 3 281.444 1.633 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001713173097 1178412381 /nfs/dbraw/zinc/41/23/81/1178412381.db2.gz QWFCRIIVDHOLHW-AVGNSLFASA-N 1 3 253.390 1.140 10 30 CDEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001691693101 1161570941 /nfs/dbraw/zinc/57/09/41/1161570941.db2.gz ZCBBOHZGPMVBFO-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001717651975 1180776486 /nfs/dbraw/zinc/77/64/86/1180776486.db2.gz ADOLNMPBZCHQNM-SHTZXODSSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CCN(CC=C)C(=O)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000903788704 626095227 /nfs/dbraw/zinc/09/52/27/626095227.db2.gz FRMUXTKZOYSMSZ-UHFFFAOYSA-N 1 3 293.455 1.884 10 30 CDEEHO C=CCC[C@@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931311542 678873489 /nfs/dbraw/zinc/87/34/89/678873489.db2.gz RLHMWWVNGHPCOF-KFWWJZLASA-N 1 3 252.402 1.587 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000876770569 677720000 /nfs/dbraw/zinc/72/00/00/677720000.db2.gz HNHXGCDOZUGJEG-AVGNSLFASA-N 1 3 287.835 1.788 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000876770569 677720006 /nfs/dbraw/zinc/72/00/06/677720006.db2.gz HNHXGCDOZUGJEG-AVGNSLFASA-N 1 3 287.835 1.788 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876956439 678041643 /nfs/dbraw/zinc/04/16/43/678041643.db2.gz KDXXUPZWBADKIJ-NEPJUHHUSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876956439 678041646 /nfs/dbraw/zinc/04/16/46/678041646.db2.gz KDXXUPZWBADKIJ-NEPJUHHUSA-N 1 3 287.835 1.693 10 30 CDEEHO C=CC[C@H](CO)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925627818 678052418 /nfs/dbraw/zinc/05/24/18/678052418.db2.gz ABPLQIZDZAYANB-NUEKZKHPSA-N 1 3 266.429 1.929 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000876709402 678356945 /nfs/dbraw/zinc/35/69/45/678356945.db2.gz QTTXXDPKHXIDDE-ZDUSSCGKSA-N 1 3 287.835 1.839 10 30 CDEEHO N#CC1CCC(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000931067308 678450651 /nfs/dbraw/zinc/45/06/51/678450651.db2.gz PGNWOMCJJWVRQV-VMBOVVBDSA-N 1 3 291.439 1.847 10 30 CDEEHO N#CC1CCC(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000931067308 678450656 /nfs/dbraw/zinc/45/06/56/678450656.db2.gz PGNWOMCJJWVRQV-VMBOVVBDSA-N 1 3 291.439 1.847 10 30 CDEEHO C=CCC[C@@H](O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931311542 678873486 /nfs/dbraw/zinc/87/34/86/678873486.db2.gz RLHMWWVNGHPCOF-KFWWJZLASA-N 1 3 252.402 1.587 10 30 CDEEHO C=CCN1CCC(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876755260 678957136 /nfs/dbraw/zinc/95/71/36/678957136.db2.gz IQLJUOUXECGRIT-GJBLVYBDSA-N 1 3 277.412 1.309 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000876740533 679059128 /nfs/dbraw/zinc/05/91/28/679059128.db2.gz IMEIJDBHWZTANQ-GFCCVEGCSA-N 1 3 273.808 1.304 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000876729801 679378355 /nfs/dbraw/zinc/37/83/55/679378355.db2.gz XQHOLAAYOMNMQM-PWSUYJOCSA-N 1 3 273.808 1.304 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001270137107 1160093307 /nfs/dbraw/zinc/09/33/07/1160093307.db2.gz USNPXQKYZKSZAF-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482923855 1160646181 /nfs/dbraw/zinc/64/61/81/1160646181.db2.gz HLXKTGZLIHUBDV-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482923855 1160646184 /nfs/dbraw/zinc/64/61/84/1160646184.db2.gz HLXKTGZLIHUBDV-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001567379922 1168720259 /nfs/dbraw/zinc/72/02/59/1168720259.db2.gz FUNHTLFBPBTNLC-OAHLLOKOSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CC[C@H](C)F)CC1 ZINC001569099312 1169644175 /nfs/dbraw/zinc/64/41/75/1169644175.db2.gz YRKVZHQQHZYHIL-KBPBESRZSA-N 1 3 297.418 1.174 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001664817035 1172914786 /nfs/dbraw/zinc/91/47/86/1172914786.db2.gz BBDWUAIGOWERNH-GJZGRUSLSA-N 1 3 281.444 1.539 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001664817035 1172914789 /nfs/dbraw/zinc/91/47/89/1172914789.db2.gz BBDWUAIGOWERNH-GJZGRUSLSA-N 1 3 281.444 1.539 10 30 CDEEHO C#CC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001689366190 1175153872 /nfs/dbraw/zinc/15/38/72/1175153872.db2.gz YPWBPAMHYHEDDY-HNNXBMFYSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001689366190 1175153877 /nfs/dbraw/zinc/15/38/77/1175153877.db2.gz YPWBPAMHYHEDDY-HNNXBMFYSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001690363320 1175449801 /nfs/dbraw/zinc/44/98/01/1175449801.db2.gz JZMHLECGGASGBT-FRRDWIJNSA-N 1 3 253.390 1.140 10 30 CDEEHO CC#CC[NH2+][C@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001690862651 1175594187 /nfs/dbraw/zinc/59/41/87/1175594187.db2.gz KKBKJPGUQSYLNY-CQSZACIVSA-N 1 3 281.444 1.472 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001698588949 1175859026 /nfs/dbraw/zinc/85/90/26/1175859026.db2.gz XAOMJZAPFYRPPJ-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001698617702 1175873848 /nfs/dbraw/zinc/87/38/48/1175873848.db2.gz GDRODTKGFIPRDN-UONOGXRCSA-N 1 3 267.417 1.080 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001700440784 1176930758 /nfs/dbraw/zinc/93/07/58/1176930758.db2.gz YDNLCFVZUKLSBM-OAHLLOKOSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[NH2+]C[C@@H](CCCC)NC(=O)CN1CC[C@H](C)C1 ZINC001700520777 1176993497 /nfs/dbraw/zinc/99/34/97/1176993497.db2.gz PXGUPNHWYGXLDA-JKSUJKDBSA-N 1 3 293.455 1.616 10 30 CDEEHO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001700769049 1177122809 /nfs/dbraw/zinc/12/28/09/1177122809.db2.gz VNLNHYKIXQLSGR-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCN1CC=C(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001701062558 1177260103 /nfs/dbraw/zinc/26/01/03/1177260103.db2.gz FWCFIGQGGUZVMZ-GASCZTMLSA-N 1 3 291.439 1.794 10 30 CDEEHO C=CCN1CC=C(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001701062558 1177260108 /nfs/dbraw/zinc/26/01/08/1177260108.db2.gz FWCFIGQGGUZVMZ-GASCZTMLSA-N 1 3 291.439 1.794 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713202847 1178429978 /nfs/dbraw/zinc/42/99/78/1178429978.db2.gz SNDDMIBYOWQFNG-XHSDSOJGSA-N 1 3 291.439 1.509 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001713220423 1178439246 /nfs/dbraw/zinc/43/92/46/1178439246.db2.gz KVUDCCLRXVTUEK-HZPDHXFCSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001713220423 1178439252 /nfs/dbraw/zinc/43/92/52/1178439252.db2.gz KVUDCCLRXVTUEK-HZPDHXFCSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001714050088 1178946748 /nfs/dbraw/zinc/94/67/48/1178946748.db2.gz MYTYSUAKVUUUFI-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714050088 1178946750 /nfs/dbraw/zinc/94/67/50/1178946750.db2.gz MYTYSUAKVUUUFI-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001714153086 1178992747 /nfs/dbraw/zinc/99/27/47/1178992747.db2.gz YKWFXKAWCSVKLQ-LSDHHAIUSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001714153086 1178992751 /nfs/dbraw/zinc/99/27/51/1178992751.db2.gz YKWFXKAWCSVKLQ-LSDHHAIUSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)C[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001714911345 1179448752 /nfs/dbraw/zinc/44/87/52/1179448752.db2.gz AXUYQQPLVGLRST-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(C)C[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001714911345 1179448755 /nfs/dbraw/zinc/44/87/55/1179448755.db2.gz AXUYQQPLVGLRST-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001715029339 1179517099 /nfs/dbraw/zinc/51/70/99/1179517099.db2.gz DOUWBEWMGQPWSL-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001715029339 1179517104 /nfs/dbraw/zinc/51/71/04/1179517104.db2.gz DOUWBEWMGQPWSL-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CCC)CC1 ZINC001715710167 1179770982 /nfs/dbraw/zinc/77/09/82/1179770982.db2.gz WEULLCAIZRFYCZ-AWEZNQCLSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CCC[NH2+]C/C=C/CNC(=O)CN(C)CC(C)(C)C ZINC001716344152 1180162741 /nfs/dbraw/zinc/16/27/41/1180162741.db2.gz QQXANBTXGYYSGW-CMDGGOBGSA-N 1 3 279.428 1.250 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001716412702 1180193646 /nfs/dbraw/zinc/19/36/46/1180193646.db2.gz MQZQXBCELPXEEY-CZUORRHYSA-N 1 3 297.418 1.317 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001716452672 1180218162 /nfs/dbraw/zinc/21/81/62/1180218162.db2.gz MQZQXBCELPXEEY-BBRMVZONSA-N 1 3 297.418 1.317 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001716787036 1180414771 /nfs/dbraw/zinc/41/47/71/1180414771.db2.gz LCGXDBBWHRYOFU-HNNXBMFYSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)CN(C)CCC)C1CCCC1 ZINC001716822640 1180425907 /nfs/dbraw/zinc/42/59/07/1180425907.db2.gz ANHPKMTTWGKBOA-INIZCTEOSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CCNCCN(CC)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001732789135 1183125452 /nfs/dbraw/zinc/12/54/52/1183125452.db2.gz NRJMNGUWXPXKEA-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CCNCCN(CC)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001732789135 1183125458 /nfs/dbraw/zinc/12/54/58/1183125458.db2.gz NRJMNGUWXPXKEA-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001771857961 1184776264 /nfs/dbraw/zinc/77/62/64/1184776264.db2.gz VGGAGQPNDZILAJ-QJPTWQEYSA-N 1 3 273.808 1.445 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CCC)C(C)C)CC1 ZINC001266579351 895430905 /nfs/dbraw/zinc/43/09/05/895430905.db2.gz ORFMMHKJODPAQX-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](CCC)C(C)C)CC1 ZINC001266579351 895430913 /nfs/dbraw/zinc/43/09/13/895430913.db2.gz ORFMMHKJODPAQX-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001267108921 896811393 /nfs/dbraw/zinc/81/13/93/896811393.db2.gz VEJKUAGOURHAJU-HUUCEWRRSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001267108921 896811402 /nfs/dbraw/zinc/81/14/02/896811402.db2.gz VEJKUAGOURHAJU-HUUCEWRRSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001267596330 898652095 /nfs/dbraw/zinc/65/20/95/898652095.db2.gz YHYOIBVACMNYNS-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001267596330 898652099 /nfs/dbraw/zinc/65/20/99/898652099.db2.gz YHYOIBVACMNYNS-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)CN(C)C(C)C ZINC001481879958 902258478 /nfs/dbraw/zinc/25/84/78/902258478.db2.gz BABXLNMBSGURCL-CYBMUJFWSA-N 1 3 255.406 1.387 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001268691083 902971192 /nfs/dbraw/zinc/97/11/92/902971192.db2.gz KMSJTBYDBDAQHL-LBPRGKRZSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268746555 903076062 /nfs/dbraw/zinc/07/60/62/903076062.db2.gz LOHRRWJVDBTSPN-CJNGLKHVSA-N 1 3 299.434 1.821 10 30 CDEEHO C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268746555 903076069 /nfs/dbraw/zinc/07/60/69/903076069.db2.gz LOHRRWJVDBTSPN-CJNGLKHVSA-N 1 3 299.434 1.821 10 30 CDEEHO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001482335985 905101824 /nfs/dbraw/zinc/10/18/24/905101824.db2.gz QTBTYDADTSYNJM-LBPRGKRZSA-N 1 3 264.373 1.355 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482868230 908447579 /nfs/dbraw/zinc/44/75/79/908447579.db2.gz RGIHQGZVJSTGIO-GFCCVEGCSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001484537641 915866503 /nfs/dbraw/zinc/86/65/03/915866503.db2.gz JXOHJNIEZXYJSI-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001485195130 916658079 /nfs/dbraw/zinc/65/80/79/916658079.db2.gz RZVNPOPYRSFFRK-KGLIPLIRSA-N 1 3 281.444 1.470 10 30 CDEEHO C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001486518774 921094376 /nfs/dbraw/zinc/09/43/76/921094376.db2.gz IIHGSCVRDBYFTH-OAHLLOKOSA-N 1 3 279.428 1.651 10 30 CDEEHO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001486518774 921094397 /nfs/dbraw/zinc/09/43/97/921094397.db2.gz IIHGSCVRDBYFTH-OAHLLOKOSA-N 1 3 279.428 1.651 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC001490742051 927314689 /nfs/dbraw/zinc/31/46/89/927314689.db2.gz LKASPDXQIOBHJD-AWEZNQCLSA-N 1 3 267.417 1.387 10 30 CDEEHO C=C(C)C[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001277447191 942587288 /nfs/dbraw/zinc/58/72/88/942587288.db2.gz BNNRAVCYFPSYQL-UHFFFAOYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)C[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001277447191 942587292 /nfs/dbraw/zinc/58/72/92/942587292.db2.gz BNNRAVCYFPSYQL-UHFFFAOYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001283679598 942965299 /nfs/dbraw/zinc/96/52/99/942965299.db2.gz QSFJGWJEYBIVOZ-CJNGLKHVSA-N 1 3 299.434 1.821 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CCC)C1 ZINC001284244972 943129751 /nfs/dbraw/zinc/12/97/51/943129751.db2.gz RXCGCMAQYNUVBG-KBPBESRZSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001264062139 944070830 /nfs/dbraw/zinc/07/08/30/944070830.db2.gz SXEQQRCLTWMXCW-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[NH2+]C1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001265743149 944485827 /nfs/dbraw/zinc/48/58/27/944485827.db2.gz DBSIJVFJLDAMOZ-RUXDESIVSA-N 1 3 267.417 1.530 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001480167188 971610930 /nfs/dbraw/zinc/61/09/30/971610930.db2.gz JZMHLECGGASGBT-AVGNSLFASA-N 1 3 253.390 1.140 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001278592825 950316362 /nfs/dbraw/zinc/31/63/62/950316362.db2.gz GSHMVNJTJVYJBF-HUUCEWRRSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001480349663 971683181 /nfs/dbraw/zinc/68/31/81/971683181.db2.gz IRKAJKDLTLXZAA-CQSZACIVSA-N 1 3 279.428 1.627 10 30 CDEEHO CC#CC[NH+]1CCC(C)(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001324885958 953622872 /nfs/dbraw/zinc/62/28/72/953622872.db2.gz DTALVTQXGWQNTQ-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001327995117 955148203 /nfs/dbraw/zinc/14/82/03/955148203.db2.gz HAZMAWGNDNLTLT-UHFFFAOYSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001329130074 955702553 /nfs/dbraw/zinc/70/25/53/955702553.db2.gz XZVABKHCDYTQRC-CHWSQXEVSA-N 1 3 269.433 1.633 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001329459043 955928138 /nfs/dbraw/zinc/92/81/38/955928138.db2.gz GUBKYWPCOOJTBW-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001329459043 955928141 /nfs/dbraw/zinc/92/81/41/955928141.db2.gz GUBKYWPCOOJTBW-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001317414960 957461534 /nfs/dbraw/zinc/46/15/34/957461534.db2.gz GEXZYSSSBCGCCW-LSDHHAIUSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001317423049 957464437 /nfs/dbraw/zinc/46/44/37/957464437.db2.gz JBFBHKFJHFNNOQ-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001317423049 957464442 /nfs/dbraw/zinc/46/44/42/957464442.db2.gz JBFBHKFJHFNNOQ-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001317446016 957479170 /nfs/dbraw/zinc/47/91/70/957479170.db2.gz RCGIGAKVXCPOPE-CQSZACIVSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001317446016 957479173 /nfs/dbraw/zinc/47/91/73/957479173.db2.gz RCGIGAKVXCPOPE-CQSZACIVSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001322243181 960149623 /nfs/dbraw/zinc/14/96/23/960149623.db2.gz CMQVHDATJUCONY-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001322243181 960149628 /nfs/dbraw/zinc/14/96/28/960149628.db2.gz CMQVHDATJUCONY-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NC1(C[NH3+])CCCCC1 ZINC001340897849 963180428 /nfs/dbraw/zinc/18/04/28/963180428.db2.gz XDDQIZWPFOMOHY-GFCCVEGCSA-N 1 3 253.390 1.448 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NC1(C[NH3+])CCCCC1 ZINC001340897851 963180522 /nfs/dbraw/zinc/18/05/22/963180522.db2.gz XDDQIZWPFOMOHY-LBPRGKRZSA-N 1 3 253.390 1.448 10 30 CDEEHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CN(C)C(C)C ZINC001496299782 972879566 /nfs/dbraw/zinc/87/95/66/972879566.db2.gz FKUIWOIHZPCBEZ-AWEZNQCLSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CCC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001498771567 974056735 /nfs/dbraw/zinc/05/67/35/974056735.db2.gz WBYKESDEAXONSM-AWEZNQCLSA-N 1 3 279.428 1.531 10 30 CDEEHO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001499618681 974274984 /nfs/dbraw/zinc/27/49/84/974274984.db2.gz FOBBAQCKMJPFAO-KRWDZBQOSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001499618681 974274994 /nfs/dbraw/zinc/27/49/94/974274994.db2.gz FOBBAQCKMJPFAO-KRWDZBQOSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001502831822 974792780 /nfs/dbraw/zinc/79/27/80/974792780.db2.gz FYHQFJRAVOLJGF-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001503023146 974810173 /nfs/dbraw/zinc/81/01/73/974810173.db2.gz KVUWIGSHKXPBND-LSDHHAIUSA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001503023146 974810179 /nfs/dbraw/zinc/81/01/79/974810179.db2.gz KVUWIGSHKXPBND-LSDHHAIUSA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCC[NH+]1CC([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001675343756 1174104195 /nfs/dbraw/zinc/10/41/95/1174104195.db2.gz UZFGPJZBGSEMAU-AWEZNQCLSA-N 1 3 293.455 1.424 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001676674905 1174254607 /nfs/dbraw/zinc/25/46/07/1174254607.db2.gz OBNLRDYABHSPNV-GXTWGEPZSA-N 1 3 276.384 1.497 10 30 CDEEHO C#CC[NH2+][C@H]1CN(C(=O)[C@H](F)CN(CC)CC)CC1(C)C ZINC001677004817 1174307211 /nfs/dbraw/zinc/30/72/11/1174307211.db2.gz ZEIIBJCLFCBFGZ-KGLIPLIRSA-N 1 3 297.418 1.126 10 30 CDEEHO C#CCC[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001570265307 1170123712 /nfs/dbraw/zinc/12/37/12/1170123712.db2.gz HXZLZMRDYJJMOS-UHFFFAOYSA-N 1 3 291.439 1.466 10 30 CDEEHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001570363543 1170143303 /nfs/dbraw/zinc/14/33/03/1170143303.db2.gz CRIKZZUCFXMQTD-UONOGXRCSA-N 1 3 267.417 1.339 10 30 CDEEHO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001571023431 1170330008 /nfs/dbraw/zinc/33/00/08/1170330008.db2.gz QKCHDNVCZCAOBP-JYJNAYRXSA-N 1 3 291.439 1.177 10 30 CDEEHO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001571023431 1170330016 /nfs/dbraw/zinc/33/00/16/1170330016.db2.gz QKCHDNVCZCAOBP-JYJNAYRXSA-N 1 3 291.439 1.177 10 30 CDEEHO C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571324504 1170365278 /nfs/dbraw/zinc/36/52/78/1170365278.db2.gz HNQQAQCCMONSBL-QWHCGFSZSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571324504 1170365286 /nfs/dbraw/zinc/36/52/86/1170365286.db2.gz HNQQAQCCMONSBL-QWHCGFSZSA-N 1 3 287.835 1.565 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000594435654 342899119 /nfs/dbraw/zinc/89/91/19/342899119.db2.gz IICHVQDRTMTVMD-KKUMJFAQSA-N 1 3 292.427 1.246 10 30 CDEEHO C[NH+](C)CC(C)(C)CNC(=O)[C@H](N)CCCCC#N ZINC000594446863 342909035 /nfs/dbraw/zinc/90/90/35/342909035.db2.gz YKUJSVASYSUDKQ-GFCCVEGCSA-N 1 3 268.405 1.102 10 30 CDEEHO C[C@@H]1CC2(CN1C(=O)[C@H](N)CCCCC#N)CC[NH2+]CC2 ZINC000594450280 342909840 /nfs/dbraw/zinc/90/98/40/342909840.db2.gz WPWWPBKQNHIRLP-ZIAGYGMSSA-N 1 3 292.427 1.388 10 30 CDEEHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594425157 342904267 /nfs/dbraw/zinc/90/42/67/342904267.db2.gz KDWKYKXQVHOKGI-XQQFMLRXSA-N 1 3 266.389 1.126 10 30 CDEEHO CC(C)(CCC#N)C[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000597235196 343490494 /nfs/dbraw/zinc/49/04/94/343490494.db2.gz FUKPKLXSHGJKPY-HNNXBMFYSA-N 1 3 279.428 1.847 10 30 CDEEHO C=CCN1CC[C@@H](N2CCC(C[NH+](CC)CC)CC2)C1=O ZINC000337138706 360003048 /nfs/dbraw/zinc/00/30/48/360003048.db2.gz PHWLJTLVTKAWNS-MRXNPFEDSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626970714 367107195 /nfs/dbraw/zinc/10/71/95/367107195.db2.gz QLQJBPVEZKDGKZ-UKRRQHHQSA-N 1 3 294.443 1.467 10 30 CDEEHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(C#N)cc1 ZINC000234740294 140230292 /nfs/dbraw/zinc/23/02/92/140230292.db2.gz DYWUZHFVTMUVQH-SWLSCSKDSA-N 1 3 261.369 1.963 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001663664954 1172745015 /nfs/dbraw/zinc/74/50/15/1172745015.db2.gz WBZNUIYSMGLILA-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001663664954 1172745019 /nfs/dbraw/zinc/74/50/19/1172745019.db2.gz WBZNUIYSMGLILA-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423184650 397602248 /nfs/dbraw/zinc/60/22/48/397602248.db2.gz MMBMRLUPFOSITN-ZDUSSCGKSA-N 1 3 290.386 1.643 10 30 CDEEHO CC#CC[NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001664186066 1172822139 /nfs/dbraw/zinc/82/21/39/1172822139.db2.gz JJNIMBJZVFMNHQ-UHFFFAOYSA-N 1 3 267.417 1.036 10 30 CDEEHO C=CCN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)COC ZINC000662298812 414623947 /nfs/dbraw/zinc/62/39/47/414623947.db2.gz HGHLBZRZHKHBJE-OLZOCXBDSA-N 1 3 254.374 1.030 10 30 CDEEHO C[NH+](C)C(C)(C)CNC(=O)c1ccc(C#CCN)c(F)c1 ZINC000043583181 175070535 /nfs/dbraw/zinc/07/05/35/175070535.db2.gz XGQJTAILBLCYMJ-UHFFFAOYSA-N 1 3 291.370 1.206 10 30 CDEEHO NCC#Cc1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000062081291 175662063 /nfs/dbraw/zinc/66/20/63/175662063.db2.gz LBQAJZHVRGJZSH-UHFFFAOYSA-N 1 3 285.391 1.213 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001666558344 1173152305 /nfs/dbraw/zinc/15/23/05/1173152305.db2.gz NHYZAJUMABQVPQ-GJZGRUSLSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CCN1CC[C@@H](N2CCC[C@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662291938 423919895 /nfs/dbraw/zinc/91/98/95/423919895.db2.gz ATGPHWHNLGPFKI-JKSUJKDBSA-N 1 3 291.439 1.485 10 30 CDEEHO C=CC[C@]1(C(=O)N(C)CC2CCN(C)CC2)CCC[NH2+]1 ZINC000662820849 424508460 /nfs/dbraw/zinc/50/84/60/424508460.db2.gz DDBBVHTVMPPTIH-MRXNPFEDSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCCC[NH2+]C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001669724254 1173590943 /nfs/dbraw/zinc/59/09/43/1173590943.db2.gz LLUBGAUYNVKHMH-NSHDSACASA-N 1 3 264.373 1.321 10 30 CDEEHO CC#CCN1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001671912391 1173722597 /nfs/dbraw/zinc/72/25/97/1173722597.db2.gz MSJXFYDEUYBUNM-KRWDZBQOSA-N 1 3 293.455 1.570 10 30 CDEEHO CC#CCN1CCC[C@@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001671912391 1173722602 /nfs/dbraw/zinc/72/26/02/1173722602.db2.gz MSJXFYDEUYBUNM-KRWDZBQOSA-N 1 3 293.455 1.570 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC12CCOCC2 ZINC000262852470 330035330 /nfs/dbraw/zinc/03/53/30/330035330.db2.gz XETGDPHGDDHXPA-KGLIPLIRSA-N 1 3 294.443 1.192 10 30 CDEEHO C=CC[N@@H+](C)CCCNC(=O)CN(C)CC(C)(C)C ZINC001707408972 1178025885 /nfs/dbraw/zinc/02/58/85/1178025885.db2.gz PCXUQNJIBWFRKM-UHFFFAOYSA-N 1 3 269.433 1.588 10 30 CDEEHO C=CC[N@H+](C)CCCNC(=O)CN(C)CC(C)(C)C ZINC001707408972 1178025892 /nfs/dbraw/zinc/02/58/92/1178025892.db2.gz PCXUQNJIBWFRKM-UHFFFAOYSA-N 1 3 269.433 1.588 10 30 CDEEHO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001690199568 1175401581 /nfs/dbraw/zinc/40/15/81/1175401581.db2.gz UWXKGRJSXNSXDZ-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001690199568 1175401582 /nfs/dbraw/zinc/40/15/82/1175401582.db2.gz UWXKGRJSXNSXDZ-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902839268 625492329 /nfs/dbraw/zinc/49/23/29/625492329.db2.gz PWLPINIKAFNVHM-HIFRSBDPSA-N 1 3 290.411 1.961 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138990 679859304 /nfs/dbraw/zinc/85/93/04/679859304.db2.gz UZMSBIQWVZYBQN-YNEHKIRRSA-N 1 3 279.771 1.910 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000876531326 682574517 /nfs/dbraw/zinc/57/45/17/682574517.db2.gz CIZNXDDYNBWZQD-ZDUSSCGKSA-N 1 3 279.771 1.741 10 30 CDEEHO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262005953 682658239 /nfs/dbraw/zinc/65/82/39/682658239.db2.gz VPNDXRQZRFGJNK-BARDWOONSA-N 1 3 296.459 1.041 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000876532939 682763167 /nfs/dbraw/zinc/76/31/67/682763167.db2.gz NCJPOSXKQFWRDQ-RYUDHWBXSA-N 1 3 273.808 1.480 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000876768286 683531108 /nfs/dbraw/zinc/53/11/08/683531108.db2.gz HDQFOZCBXIOIHD-SRVKXCTJSA-N 1 3 273.808 1.445 10 30 CDEEHO C=CC[C@@H]1CCCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878914385 683852111 /nfs/dbraw/zinc/85/21/11/683852111.db2.gz CAYRERBFNYXOLV-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1C ZINC001263275046 1167442372 /nfs/dbraw/zinc/44/23/72/1167442372.db2.gz UESFOAOYEHSZDR-WDEREUQCSA-N 1 3 259.781 1.057 10 30 CDEEHO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001566692524 1168388829 /nfs/dbraw/zinc/38/88/29/1168388829.db2.gz IFYIWXOJMGFNSE-LSDHHAIUSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CC2CC2)CC1 ZINC001569152634 1169693542 /nfs/dbraw/zinc/69/35/42/1169693542.db2.gz FUKHYUHSFJCVEY-CQSZACIVSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC2CC2)CC1 ZINC001569152634 1169693550 /nfs/dbraw/zinc/69/35/50/1169693550.db2.gz FUKHYUHSFJCVEY-CQSZACIVSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCC[C@@H](C)[NH+]1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001665362579 1172986153 /nfs/dbraw/zinc/98/61/53/1172986153.db2.gz FBMANRJXOGERTH-CQSZACIVSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001690574548 1175509276 /nfs/dbraw/zinc/50/92/76/1175509276.db2.gz CKYCWCVDJYQWBQ-STQMWFEESA-N 1 3 253.390 1.140 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001698861185 1175967366 /nfs/dbraw/zinc/96/73/66/1175967366.db2.gz NAJBJAFGWLGAHY-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)CN(C)C(C)C ZINC001698878914 1175975932 /nfs/dbraw/zinc/97/59/32/1175975932.db2.gz OMLGAFXTYYLKDY-HNNXBMFYSA-N 1 3 281.444 1.470 10 30 CDEEHO CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001699833766 1176648673 /nfs/dbraw/zinc/64/86/73/1176648673.db2.gz DGICBLDTROZGMB-INIZCTEOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001700845641 1177163986 /nfs/dbraw/zinc/16/39/86/1177163986.db2.gz ALMJGPLPEBMDOL-GXTWGEPZSA-N 1 3 276.384 1.497 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001707083041 1177944085 /nfs/dbraw/zinc/94/40/85/1177944085.db2.gz ZUXIZIYEJJIPOE-BZUAXINKSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1 ZINC001707163457 1177960754 /nfs/dbraw/zinc/96/07/54/1177960754.db2.gz RMWFOGXFJXBFKU-HIFRSBDPSA-N 1 3 288.395 1.192 10 30 CDEEHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)CCC)C1 ZINC001707247443 1177979822 /nfs/dbraw/zinc/97/98/22/1177979822.db2.gz QOALIVRBDVBJQS-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001714992291 1179496096 /nfs/dbraw/zinc/49/60/96/1179496096.db2.gz IBKZLPFEGJNGJW-GJZGRUSLSA-N 1 3 289.423 1.334 10 30 CDEEHO C#CC[NH2+][C@H](CC)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001715076552 1179541636 /nfs/dbraw/zinc/54/16/36/1179541636.db2.gz SZUIVDVIUFTWLS-HUUCEWRRSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001715598476 1179728751 /nfs/dbraw/zinc/72/87/51/1179728751.db2.gz RXCHJQDOIPTUMS-QWHCGFSZSA-N 1 3 255.406 1.243 10 30 CDEEHO C=C(C)C[NH2+]C/C=C\CNC(=O)CN(C)C1CCC1 ZINC001715825688 1179852278 /nfs/dbraw/zinc/85/22/78/1179852278.db2.gz KNDHTBYFIDLGTD-PLNGDYQASA-N 1 3 265.401 1.309 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001717336056 1180620073 /nfs/dbraw/zinc/62/00/73/1180620073.db2.gz NCRUZCZXQUPFPT-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001717336056 1180620075 /nfs/dbraw/zinc/62/00/75/1180620075.db2.gz NCRUZCZXQUPFPT-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001717497230 1180710077 /nfs/dbraw/zinc/71/00/77/1180710077.db2.gz AIFZJGHGESXKBG-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[N@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001718033429 1180977296 /nfs/dbraw/zinc/97/72/96/1180977296.db2.gz JXYPZFFBGRZSHF-UHFFFAOYSA-N 1 3 277.412 1.098 10 30 CDEEHO C#CCC[N@@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001718033429 1180977305 /nfs/dbraw/zinc/97/73/05/1180977305.db2.gz JXYPZFFBGRZSHF-UHFFFAOYSA-N 1 3 277.412 1.098 10 30 CDEEHO C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001725063614 1181841781 /nfs/dbraw/zinc/84/17/81/1181841781.db2.gz CNIIEBTVHUQDJY-NRXISQOPSA-N 1 3 279.428 1.530 10 30 CDEEHO C#CC[NH2+]C[C@@H](CCCC)NC(=O)C(C)(C)N1CCCC1 ZINC001725233800 1181929978 /nfs/dbraw/zinc/92/99/78/1181929978.db2.gz YFAZFJWJGYFYGA-OAHLLOKOSA-N 1 3 293.455 1.759 10 30 CDEEHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)[C@@H]1C ZINC001725686881 1182097265 /nfs/dbraw/zinc/09/72/65/1182097265.db2.gz WKKGLOCORDLZPD-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[N@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001725823195 1182143874 /nfs/dbraw/zinc/14/38/74/1182143874.db2.gz FDBQJWYPYJLWCA-AWEZNQCLSA-N 1 3 265.401 1.261 10 30 CDEEHO C=CC[N@@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001725823195 1182143879 /nfs/dbraw/zinc/14/38/79/1182143879.db2.gz FDBQJWYPYJLWCA-AWEZNQCLSA-N 1 3 265.401 1.261 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001731350113 1182331942 /nfs/dbraw/zinc/33/19/42/1182331942.db2.gz ZITNQTNSSMEGBQ-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001732051911 1182740303 /nfs/dbraw/zinc/74/03/03/1182740303.db2.gz BQUOZJSKAYTPAR-JKSUJKDBSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001732051911 1182740310 /nfs/dbraw/zinc/74/03/10/1182740310.db2.gz BQUOZJSKAYTPAR-JKSUJKDBSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001733046087 1183261621 /nfs/dbraw/zinc/26/16/21/1183261621.db2.gz VNUWIEWLZBXVFW-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001733046087 1183261625 /nfs/dbraw/zinc/26/16/25/1183261625.db2.gz VNUWIEWLZBXVFW-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001733444522 1183435121 /nfs/dbraw/zinc/43/51/21/1183435121.db2.gz BOGUOQCKZBWKAV-RDJZCZTQSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001734039296 1183629855 /nfs/dbraw/zinc/62/98/55/1183629855.db2.gz KAYXXOBCKQDSSV-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001734039296 1183629857 /nfs/dbraw/zinc/62/98/57/1183629857.db2.gz KAYXXOBCKQDSSV-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001570571938 1167577071 /nfs/dbraw/zinc/57/70/71/1167577071.db2.gz MCOUJYYRFYHAQO-YMAMQOFZSA-N 1 3 279.428 1.080 10 30 CDEEHO CC#CCN(C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001566479798 1167967825 /nfs/dbraw/zinc/96/78/25/1167967825.db2.gz DGRZQXVSRARKDY-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001566825800 1168432688 /nfs/dbraw/zinc/43/26/88/1168432688.db2.gz BEZAROFWUVHQOW-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001566825800 1168432693 /nfs/dbraw/zinc/43/26/93/1168432693.db2.gz BEZAROFWUVHQOW-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001567177228 1168605648 /nfs/dbraw/zinc/60/56/48/1168605648.db2.gz SRMWSQNUKKHYDV-HUUCEWRRSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CCCN(C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001567320095 1168677369 /nfs/dbraw/zinc/67/73/69/1168677369.db2.gz HEOQCTPDNROXOA-UHFFFAOYSA-N 1 3 279.428 1.324 10 30 CDEEHO C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001122096728 913439146 /nfs/dbraw/zinc/43/91/46/913439146.db2.gz URZXBXKAEDFIFG-AWEZNQCLSA-N 1 3 289.379 1.791 10 30 CDEEHO C=CCCC[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001567404455 1168738685 /nfs/dbraw/zinc/73/86/85/1168738685.db2.gz YAVIMAHJYWSRQQ-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001567404455 1168738690 /nfs/dbraw/zinc/73/86/90/1168738690.db2.gz YAVIMAHJYWSRQQ-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001567449263 1168770124 /nfs/dbraw/zinc/77/01/24/1168770124.db2.gz RXYCGKFSSVDGJN-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001567449263 1168770131 /nfs/dbraw/zinc/77/01/31/1168770131.db2.gz RXYCGKFSSVDGJN-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001266517480 895195094 /nfs/dbraw/zinc/19/50/94/895195094.db2.gz KICUVBJWKKTRGP-HUUCEWRRSA-N 1 3 297.418 1.128 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001266517480 895195096 /nfs/dbraw/zinc/19/50/96/895195096.db2.gz KICUVBJWKKTRGP-HUUCEWRRSA-N 1 3 297.418 1.128 10 30 CDEEHO C#CCC[N@H+](CC)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001267255517 897351410 /nfs/dbraw/zinc/35/14/10/897351410.db2.gz JLSNRZYDPMCJIN-CQSZACIVSA-N 1 3 267.417 1.034 10 30 CDEEHO C#CCC[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001267255517 897351420 /nfs/dbraw/zinc/35/14/20/897351420.db2.gz JLSNRZYDPMCJIN-CQSZACIVSA-N 1 3 267.417 1.034 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001267933383 900000927 /nfs/dbraw/zinc/00/09/27/900000927.db2.gz HKRNFGXUTXFDJS-SHTZXODSSA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268555801 902555921 /nfs/dbraw/zinc/55/59/21/902555921.db2.gz LOQDRKFCYWCSPB-OKQSBHACSA-N 1 3 289.423 1.289 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268555801 902555929 /nfs/dbraw/zinc/55/59/29/902555929.db2.gz LOQDRKFCYWCSPB-OKQSBHACSA-N 1 3 289.423 1.289 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001482162950 902782619 /nfs/dbraw/zinc/78/26/19/902782619.db2.gz GHIHMKAYFBCMAM-LBPRGKRZSA-N 1 3 278.400 1.569 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001483198039 909959586 /nfs/dbraw/zinc/95/95/86/909959586.db2.gz VKLKMXXNAPUHOL-CHWSQXEVSA-N 1 3 253.390 1.141 10 30 CDEEHO CC#CCN1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001484725036 916089341 /nfs/dbraw/zinc/08/93/41/916089341.db2.gz XFICUURHEPUQTM-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO CC#CCN1CCC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001484725036 916089361 /nfs/dbraw/zinc/08/93/61/916089361.db2.gz XFICUURHEPUQTM-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CC[NH2+][C@H](CCNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001485785812 917291258 /nfs/dbraw/zinc/29/12/58/917291258.db2.gz FSKFRDWZWIEZKK-ZIAGYGMSSA-N 1 3 267.417 1.080 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486178413 920782736 /nfs/dbraw/zinc/78/27/36/920782736.db2.gz CRMHQLWWZXBZCU-LSDHHAIUSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCC[N@H+](CC)CCCNC(=O)C1(N(C)C)CCC1 ZINC001490330803 927128169 /nfs/dbraw/zinc/12/81/69/927128169.db2.gz LHFHTPUMMVTPHI-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCC[N@@H+](CC)CCCNC(=O)C1(N(C)C)CCC1 ZINC001490330803 927128176 /nfs/dbraw/zinc/12/81/76/927128176.db2.gz LHFHTPUMMVTPHI-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001122108356 937906086 /nfs/dbraw/zinc/90/60/86/937906086.db2.gz PCFDZUDVYQRCTB-WCQYABFASA-N 1 3 253.390 1.174 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001282397327 942704722 /nfs/dbraw/zinc/70/47/22/942704722.db2.gz DCLJZTTUGCEWSI-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001282397327 942704726 /nfs/dbraw/zinc/70/47/26/942704726.db2.gz DCLJZTTUGCEWSI-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[C@@H](O)CNC1CC[NH+](CCC(C)C)CC1 ZINC001474692211 971032925 /nfs/dbraw/zinc/03/29/25/971032925.db2.gz AACAMLWCEGJVBX-MRXNPFEDSA-N 1 3 266.429 1.861 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001264187198 944096510 /nfs/dbraw/zinc/09/65/10/944096510.db2.gz IYCRWTNQMJDZKD-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001264187198 944096518 /nfs/dbraw/zinc/09/65/18/944096518.db2.gz IYCRWTNQMJDZKD-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001265853025 944540619 /nfs/dbraw/zinc/54/06/19/944540619.db2.gz MCYQGQAHBZLJFY-CHWSQXEVSA-N 1 3 255.406 1.243 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001479913877 971485678 /nfs/dbraw/zinc/48/56/78/971485678.db2.gz XBARQJLQZLZWTM-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001479913877 971485685 /nfs/dbraw/zinc/48/56/85/971485685.db2.gz XBARQJLQZLZWTM-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480255211 971650215 /nfs/dbraw/zinc/65/02/15/971650215.db2.gz RNVORGAJDWWNBQ-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480255211 971650221 /nfs/dbraw/zinc/65/02/21/971650221.db2.gz RNVORGAJDWWNBQ-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001324675773 953510357 /nfs/dbraw/zinc/51/03/57/953510357.db2.gz ZRGLJWIOVYEDDG-MRXNPFEDSA-N 1 3 279.428 1.629 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001325597781 953979417 /nfs/dbraw/zinc/97/94/17/953979417.db2.gz GDMJDZJTSCFKBI-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001491934216 955534899 /nfs/dbraw/zinc/53/48/99/955534899.db2.gz VZDNUNNERJGMEJ-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001491934216 955534912 /nfs/dbraw/zinc/53/49/12/955534912.db2.gz VZDNUNNERJGMEJ-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001480727145 956648949 /nfs/dbraw/zinc/64/89/49/956648949.db2.gz QMANETAAXXJDHN-GJZGRUSLSA-N 1 3 299.434 1.775 10 30 CDEEHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001480727145 956648957 /nfs/dbraw/zinc/64/89/57/956648957.db2.gz QMANETAAXXJDHN-GJZGRUSLSA-N 1 3 299.434 1.775 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001317142781 957303105 /nfs/dbraw/zinc/30/31/05/957303105.db2.gz GRFTYMMYDTXVIW-HOTGVXAUSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317142781 957303120 /nfs/dbraw/zinc/30/31/20/957303120.db2.gz GRFTYMMYDTXVIW-HOTGVXAUSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317862637 957700038 /nfs/dbraw/zinc/70/00/38/957700038.db2.gz INNIMGKTSIFDJO-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317862637 957700048 /nfs/dbraw/zinc/70/00/48/957700048.db2.gz INNIMGKTSIFDJO-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001318527985 958154046 /nfs/dbraw/zinc/15/40/46/958154046.db2.gz GXFUVOUHQHUXTD-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)Cc1nc[nH]c1C ZINC001319634267 958665099 /nfs/dbraw/zinc/66/50/99/958665099.db2.gz BBSNUIWMADZGPM-AWEZNQCLSA-N 1 3 290.411 1.404 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1CCCCC1 ZINC001319656147 958675400 /nfs/dbraw/zinc/67/54/00/958675400.db2.gz NALDASCESAWHPV-HZPDHXFCSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001321532439 959839026 /nfs/dbraw/zinc/83/90/26/959839026.db2.gz GXIPHHKIPIDNPV-KGLIPLIRSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001340365565 962909964 /nfs/dbraw/zinc/90/99/64/962909964.db2.gz SBNXFUZQDWSCBV-LBPRGKRZSA-N 1 3 251.374 1.025 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001498484357 973944326 /nfs/dbraw/zinc/94/43/26/973944326.db2.gz JBKZYIOZYQJALA-GJZGRUSLSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001507419671 975462629 /nfs/dbraw/zinc/46/26/29/975462629.db2.gz WPEDSBCKWZBRPK-UONOGXRCSA-N 1 3 288.395 1.158 10 30 CDEEHO C#CCC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001508229505 975645030 /nfs/dbraw/zinc/64/50/30/975645030.db2.gz MJUUPTIXONFZGL-MRXNPFEDSA-N 1 3 291.439 1.344 10 30 CDEEHO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001508229505 975645032 /nfs/dbraw/zinc/64/50/32/975645032.db2.gz MJUUPTIXONFZGL-MRXNPFEDSA-N 1 3 291.439 1.344 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001674759093 1174005684 /nfs/dbraw/zinc/00/56/84/1174005684.db2.gz ASETWFRMYYPWKZ-NEPJUHHUSA-N 1 3 278.400 1.710 10 30 CDEEHO C#CCC[NH2+]CCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001676013793 1174173819 /nfs/dbraw/zinc/17/38/19/1174173819.db2.gz ROVGBJQWULPNAJ-LBPRGKRZSA-N 1 3 276.384 1.158 10 30 CDEEHO C#CC[NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001570561203 1170188889 /nfs/dbraw/zinc/18/88/89/1170188889.db2.gz OTWJQPKGSMFXCS-UHFFFAOYSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001656176111 1171783528 /nfs/dbraw/zinc/78/35/28/1171783528.db2.gz OTJJWWYZRQDPAI-FPCVCCKLSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CCC ZINC001656452174 1171825673 /nfs/dbraw/zinc/82/56/73/1171825673.db2.gz DMGWKAQVQVNNEG-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCCC#N ZINC000594284404 342887515 /nfs/dbraw/zinc/88/75/15/342887515.db2.gz WVAHJCOLNRRIRD-UHFFFAOYSA-N 1 3 268.405 1.022 10 30 CDEEHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)[C@@H](C)C1 ZINC000594439644 342906822 /nfs/dbraw/zinc/90/68/22/342906822.db2.gz TZYJFZPZGKVFGJ-KKUMJFAQSA-N 1 3 294.443 1.586 10 30 CDEEHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)[C@@H](C)C1 ZINC000594439644 342906823 /nfs/dbraw/zinc/90/68/23/342906823.db2.gz TZYJFZPZGKVFGJ-KKUMJFAQSA-N 1 3 294.443 1.586 10 30 CDEEHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594425158 342904172 /nfs/dbraw/zinc/90/41/72/342904172.db2.gz KDWKYKXQVHOKGI-YNEHKIRRSA-N 1 3 266.389 1.126 10 30 CDEEHO C[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CCC[NH3+] ZINC000595258979 343013752 /nfs/dbraw/zinc/01/37/52/343013752.db2.gz YFNGEAZPWFTCJQ-RBSFLKMASA-N 1 3 294.443 1.764 10 30 CDEEHO C[C@H](CCN(C)C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000342724341 356146754 /nfs/dbraw/zinc/14/67/54/356146754.db2.gz HFMBAPYEYAUAKB-GFCCVEGCSA-N 1 3 271.368 1.636 10 30 CDEEHO C=CC[C@@]1(C(=O)Nc2ccc3c(c2)CNCC3)CCC[NH2+]1 ZINC000662418446 412989899 /nfs/dbraw/zinc/98/98/99/412989899.db2.gz QPUZGVHFXODOKN-KRWDZBQOSA-N 1 3 285.391 1.969 10 30 CDEEHO CN(Cc1cc(C#CC[NH3+])cs1)C[C@H]1CCCO1 ZINC000043688983 175095440 /nfs/dbraw/zinc/09/54/40/175095440.db2.gz GDAZMZVRJKGPTA-CYBMUJFWSA-N 1 3 264.394 1.669 10 30 CDEEHO CN1CC[C@H](C[N@H+](C)Cc2ccc(F)c(C#CCO)c2)C1 ZINC000071190507 176066210 /nfs/dbraw/zinc/06/62/10/176066210.db2.gz OYHVQFKAUVMOIQ-HNNXBMFYSA-N 1 3 290.382 1.553 10 30 CDEEHO CN1CC[C@H](C[N@@H+](C)Cc2ccc(F)c(C#CCO)c2)C1 ZINC000071190507 176066212 /nfs/dbraw/zinc/06/62/12/176066212.db2.gz OYHVQFKAUVMOIQ-HNNXBMFYSA-N 1 3 290.382 1.553 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCC=C)CC1 ZINC001690650070 1175537014 /nfs/dbraw/zinc/53/70/14/1175537014.db2.gz DRPNCSUKAXHJFP-CQSZACIVSA-N 1 3 277.412 1.002 10 30 CDEEHO CC(C)CN1CCCC[C@@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262473026 330015818 /nfs/dbraw/zinc/01/58/18/330015818.db2.gz BQFYQZINWIGTDY-QWHCGFSZSA-N 1 3 252.406 1.434 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000262491858 330017402 /nfs/dbraw/zinc/01/74/02/330017402.db2.gz JKPJTJZFDPBZOT-XLNGHYISSA-N 1 3 298.434 1.713 10 30 CDEEHO C=CC1(N2CCN(CC(C)C)CC2)CC[NH2+]CC1 ZINC000536955468 330383116 /nfs/dbraw/zinc/38/31/16/330383116.db2.gz UGVHWNHNUKZVNZ-UHFFFAOYSA-N 1 3 251.418 1.568 10 30 CDEEHO CC[NH+](CC)CC1CCN(CC#CCOC)CC1 ZINC000677818018 482793167 /nfs/dbraw/zinc/79/31/67/482793167.db2.gz FBXWIAKJSGJGSC-UHFFFAOYSA-N 1 3 252.402 1.690 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)CN1CCCC1)C1CC1 ZINC001690014859 1175345748 /nfs/dbraw/zinc/34/57/48/1175345748.db2.gz SIXXLECNLUULEL-UHFFFAOYSA-N 1 3 277.412 1.076 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)CN1CCCC1)C1CC1 ZINC001690014859 1175345755 /nfs/dbraw/zinc/34/57/55/1175345755.db2.gz SIXXLECNLUULEL-UHFFFAOYSA-N 1 3 277.412 1.076 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)C1CCCC1 ZINC000900684983 623372931 /nfs/dbraw/zinc/37/29/31/623372931.db2.gz KSKQPLUUWXWHLR-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCN1CCC(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000874844815 685336445 /nfs/dbraw/zinc/33/64/45/685336445.db2.gz TYRDHBACQPWAKR-JKSUJKDBSA-N 1 3 289.423 1.027 10 30 CDEEHO C#CCN1CCC(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000874844815 685336449 /nfs/dbraw/zinc/33/64/49/685336449.db2.gz TYRDHBACQPWAKR-JKSUJKDBSA-N 1 3 289.423 1.027 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000876937451 684821928 /nfs/dbraw/zinc/82/19/28/684821928.db2.gz WZTPURBHZMHIRC-KBPBESRZSA-N 1 3 293.798 1.541 10 30 CDEEHO C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC1CC[NH+](C)CC1 ZINC000878992003 684868966 /nfs/dbraw/zinc/86/89/66/684868966.db2.gz QXNHOQCDGPJDDZ-GASCZTMLSA-N 1 3 277.412 1.380 10 30 CDEEHO C#CCN1CCC(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000871153015 684888933 /nfs/dbraw/zinc/88/89/33/684888933.db2.gz COTXSQOGUTURSG-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCN1CCC(C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000871153015 684888935 /nfs/dbraw/zinc/88/89/35/684888935.db2.gz COTXSQOGUTURSG-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000876733177 685809150 /nfs/dbraw/zinc/80/91/50/685809150.db2.gz QTYSUGFJLCMAQG-UONOGXRCSA-N 1 3 299.846 1.933 10 30 CDEEHO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261941709 686850333 /nfs/dbraw/zinc/85/03/33/686850333.db2.gz DRDOTZBYDKVKBI-ZQDZILKHSA-N 1 3 280.460 1.926 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000876522997 687529614 /nfs/dbraw/zinc/52/96/14/687529614.db2.gz HYZRQJQRKZDWLL-GXSJLCMTSA-N 1 3 259.781 1.042 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000876979556 688012423 /nfs/dbraw/zinc/01/24/23/688012423.db2.gz JYDZVTFDEZHTSR-UONOGXRCSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876979556 688012433 /nfs/dbraw/zinc/01/24/33/688012433.db2.gz JYDZVTFDEZHTSR-UONOGXRCSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872300735 688037355 /nfs/dbraw/zinc/03/73/55/688037355.db2.gz LUUBTRWGVMRXDH-SNVBAGLBSA-N 1 3 259.781 1.057 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001266841361 1158885795 /nfs/dbraw/zinc/88/57/95/1158885795.db2.gz WIWVMKIJZKSJCM-SJORKVTESA-N 1 3 299.418 1.013 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001266841361 1158885805 /nfs/dbraw/zinc/88/58/05/1158885805.db2.gz WIWVMKIJZKSJCM-SJORKVTESA-N 1 3 299.418 1.013 10 30 CDEEHO CC#CC[NH2+][C@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001276138645 1166736796 /nfs/dbraw/zinc/73/67/96/1166736796.db2.gz PBPHKNLUDSFGER-OAHLLOKOSA-N 1 3 290.411 1.438 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001566711858 1168396359 /nfs/dbraw/zinc/39/63/59/1168396359.db2.gz WRZPBDBAJNBJQO-CYBMUJFWSA-N 1 3 265.401 1.141 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H](CC)N(C)C ZINC001567976700 1169104603 /nfs/dbraw/zinc/10/46/03/1169104603.db2.gz IRHRLYKMWZJUAL-OLZOCXBDSA-N 1 3 255.406 1.387 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569145171 1169688865 /nfs/dbraw/zinc/68/88/65/1169688865.db2.gz CTUPOFKAZHAQES-AWEZNQCLSA-N 1 3 293.455 1.731 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001570046936 1170064736 /nfs/dbraw/zinc/06/47/36/1170064736.db2.gz REDVBUXGJREUIN-WKILWMFISA-N 1 3 293.455 1.616 10 30 CDEEHO C=C(C)[C@@H](CO)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001660591545 1172239548 /nfs/dbraw/zinc/23/95/48/1172239548.db2.gz DEXSYKOVGUBPOO-OAHLLOKOSA-N 1 3 282.428 1.236 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001666115354 1173111837 /nfs/dbraw/zinc/11/18/37/1173111837.db2.gz NEXOLBMLZORCAP-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CC2)CC1 ZINC001674261836 1173927598 /nfs/dbraw/zinc/92/75/98/1173927598.db2.gz NXMBHNAALNJPLN-AWEZNQCLSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001699662237 1176556723 /nfs/dbraw/zinc/55/67/23/1176556723.db2.gz KUFZCAFAKZKZBB-UHFFFAOYSA-N 1 3 281.444 1.779 10 30 CDEEHO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001700015532 1176719365 /nfs/dbraw/zinc/71/93/65/1176719365.db2.gz DPFXIKIVALURMB-LSDHHAIUSA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001700015532 1176719371 /nfs/dbraw/zinc/71/93/71/1176719371.db2.gz DPFXIKIVALURMB-LSDHHAIUSA-N 1 3 277.412 1.027 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001700052231 1176731880 /nfs/dbraw/zinc/73/18/80/1176731880.db2.gz GOYQKWSFQFTJNZ-KGLIPLIRSA-N 1 3 299.846 1.661 10 30 CDEEHO C=CCC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001700544922 1177007774 /nfs/dbraw/zinc/00/77/74/1177007774.db2.gz DAJRQYQGUYBQOA-KBPBESRZSA-N 1 3 279.428 1.341 10 30 CDEEHO C#CCCN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001713704624 1178716451 /nfs/dbraw/zinc/71/64/51/1178716451.db2.gz ZFCMZJIYDIMKLX-IRXDYDNUSA-N 1 3 299.418 1.409 10 30 CDEEHO C#CCCN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001713704624 1178716454 /nfs/dbraw/zinc/71/64/54/1178716454.db2.gz ZFCMZJIYDIMKLX-IRXDYDNUSA-N 1 3 299.418 1.409 10 30 CDEEHO C=CCN1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714020836 1178931020 /nfs/dbraw/zinc/93/10/20/1178931020.db2.gz LEXDRPIGSNWXDU-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001717423733 1180664420 /nfs/dbraw/zinc/66/44/20/1180664420.db2.gz WSMIBFKPIVHWLD-UONOGXRCSA-N 1 3 279.428 1.367 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001717642374 1180769742 /nfs/dbraw/zinc/76/97/42/1180769742.db2.gz ROYYGNREKNVOMR-HDJSIYSDSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001717652173 1180775675 /nfs/dbraw/zinc/77/56/75/1180775675.db2.gz HAVCJNJGOGRPGE-LDKKBFSKSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724022959 1181629421 /nfs/dbraw/zinc/62/94/21/1181629421.db2.gz LQJXNCDOMXHMLQ-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724022959 1181629423 /nfs/dbraw/zinc/62/94/23/1181629423.db2.gz LQJXNCDOMXHMLQ-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CC)CC1 ZINC001724047908 1181632295 /nfs/dbraw/zinc/63/22/95/1181632295.db2.gz WBYQWKOMRPOFOZ-UHFFFAOYSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725240420 1181932855 /nfs/dbraw/zinc/93/28/55/1181932855.db2.gz LRLFEZCERZPIBT-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725240420 1181932861 /nfs/dbraw/zinc/93/28/61/1181932861.db2.gz LRLFEZCERZPIBT-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001731405464 1182367666 /nfs/dbraw/zinc/36/76/66/1182367666.db2.gz KQONRAUGZCANBT-GOEBONIOSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001732207948 1182859362 /nfs/dbraw/zinc/85/93/62/1182859362.db2.gz ZBPGAXAUNVNZRD-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001732282727 1182894609 /nfs/dbraw/zinc/89/46/09/1182894609.db2.gz AUMMQNHWOUUTRR-INIZCTEOSA-N 1 3 293.455 1.570 10 30 CDEEHO C=C(C)CC[NH2+]CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001733128177 1183299924 /nfs/dbraw/zinc/29/99/24/1183299924.db2.gz DYKHJYCFDLTFJU-UHFFFAOYSA-N 1 3 264.373 1.357 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001733264948 1183377220 /nfs/dbraw/zinc/37/72/20/1183377220.db2.gz IVIOHRQSJVRJCK-OAHLLOKOSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[N@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001734627868 1183853129 /nfs/dbraw/zinc/85/31/29/1183853129.db2.gz KQEIWNOYXYRBEP-UHFFFAOYSA-N 1 3 291.439 1.795 10 30 CDEEHO C=C(C)C[N@@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001734627868 1183853131 /nfs/dbraw/zinc/85/31/31/1183853131.db2.gz KQEIWNOYXYRBEP-UHFFFAOYSA-N 1 3 291.439 1.795 10 30 CDEEHO C=CC[NH2+]CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001567611612 1168065976 /nfs/dbraw/zinc/06/59/76/1168065976.db2.gz ODSAGYNSUGWZSS-UHFFFAOYSA-N 1 3 275.396 1.596 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566738487 1168404688 /nfs/dbraw/zinc/40/46/88/1168404688.db2.gz HQZVIAOIUCACQV-CVEARBPZSA-N 1 3 295.471 1.929 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566738487 1168404692 /nfs/dbraw/zinc/40/46/92/1168404692.db2.gz HQZVIAOIUCACQV-CVEARBPZSA-N 1 3 295.471 1.929 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001566863616 1168449603 /nfs/dbraw/zinc/44/96/03/1168449603.db2.gz YEWKLTVRPHMEJH-ZNMIVQPWSA-N 1 3 279.428 1.674 10 30 CDEEHO C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001282486944 894456875 /nfs/dbraw/zinc/45/68/75/894456875.db2.gz RUKAPZOEYZNPNJ-OLZOCXBDSA-N 1 3 255.406 1.195 10 30 CDEEHO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001282486944 894456881 /nfs/dbraw/zinc/45/68/81/894456881.db2.gz RUKAPZOEYZNPNJ-OLZOCXBDSA-N 1 3 255.406 1.195 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001266880378 896269569 /nfs/dbraw/zinc/26/95/69/896269569.db2.gz KESCYYHMDMZJNV-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001267083417 896728662 /nfs/dbraw/zinc/72/86/62/896728662.db2.gz YHKYDNFTEJXEMV-ZIAGYGMSSA-N 1 3 279.428 1.674 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001267145104 896913239 /nfs/dbraw/zinc/91/32/39/896913239.db2.gz NJMYTLZBPSUULX-GJZGRUSLSA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267597052 898658963 /nfs/dbraw/zinc/65/89/63/898658963.db2.gz RWODMNGNDVFXJM-OAHLLOKOSA-N 1 3 279.428 1.439 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267597052 898658967 /nfs/dbraw/zinc/65/89/67/898658967.db2.gz RWODMNGNDVFXJM-OAHLLOKOSA-N 1 3 279.428 1.439 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481498420 900929372 /nfs/dbraw/zinc/92/93/72/900929372.db2.gz OHYZKJNMCNBFCB-ZDUSSCGKSA-N 1 3 276.384 1.309 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481498420 900929384 /nfs/dbraw/zinc/92/93/84/900929384.db2.gz OHYZKJNMCNBFCB-ZDUSSCGKSA-N 1 3 276.384 1.309 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001268068935 901093813 /nfs/dbraw/zinc/09/38/13/901093813.db2.gz OENZZAAMPRYCPO-KBPBESRZSA-N 1 3 269.433 1.585 10 30 CDEEHO C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001567742837 1168946476 /nfs/dbraw/zinc/94/64/76/1168946476.db2.gz VIYBOQJUCXGNOE-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001567742837 1168946493 /nfs/dbraw/zinc/94/64/93/1168946493.db2.gz VIYBOQJUCXGNOE-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001268292062 901765514 /nfs/dbraw/zinc/76/55/14/901765514.db2.gz PEGRVIGRIVZDIK-UONOGXRCSA-N 1 3 288.395 1.158 10 30 CDEEHO C=CC[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001268716533 903005101 /nfs/dbraw/zinc/00/51/01/903005101.db2.gz GEJDIGYIPBFPLA-ZDUSSCGKSA-N 1 3 275.396 1.642 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001280094209 904184008 /nfs/dbraw/zinc/18/40/08/904184008.db2.gz JXOHJNIEZXYJSI-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001482369192 905219353 /nfs/dbraw/zinc/21/93/53/905219353.db2.gz LLMXLLSFFBUGDW-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001272227912 909312059 /nfs/dbraw/zinc/31/20/59/909312059.db2.gz XBEDDRCSHFIVTI-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001272227912 909312075 /nfs/dbraw/zinc/31/20/75/909312075.db2.gz XBEDDRCSHFIVTI-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001483412546 911082821 /nfs/dbraw/zinc/08/28/21/911082821.db2.gz XCBOPGNUZWNUNU-LBPRGKRZSA-N 1 3 278.400 1.663 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001483412546 911082840 /nfs/dbraw/zinc/08/28/40/911082840.db2.gz XCBOPGNUZWNUNU-LBPRGKRZSA-N 1 3 278.400 1.663 10 30 CDEEHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](CCC)CC1 ZINC001483988555 915269175 /nfs/dbraw/zinc/26/91/75/915269175.db2.gz FJBTZFDJKNTGFV-UHFFFAOYSA-N 1 3 293.455 1.664 10 30 CDEEHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001484176053 915492417 /nfs/dbraw/zinc/49/24/17/915492417.db2.gz ZVKJNOXQQGXJRZ-WBVHZDCISA-N 1 3 295.471 1.977 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001484176053 915492423 /nfs/dbraw/zinc/49/24/23/915492423.db2.gz ZVKJNOXQQGXJRZ-WBVHZDCISA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)N(C)C)CCO1 ZINC001484695735 916058569 /nfs/dbraw/zinc/05/85/69/916058569.db2.gz HSTJLHOXNRPNQZ-GJZGRUSLSA-N 1 3 297.443 1.110 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001485107081 916533443 /nfs/dbraw/zinc/53/34/43/916533443.db2.gz DUZHLLHPYSUUSI-IYXRBSQSSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001485107081 916533458 /nfs/dbraw/zinc/53/34/58/916533458.db2.gz DUZHLLHPYSUUSI-IYXRBSQSSA-N 1 3 299.846 1.565 10 30 CDEEHO C#CCCN1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485581573 917108063 /nfs/dbraw/zinc/10/80/63/917108063.db2.gz GPXQFRSLEOIRPU-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001486159126 920762118 /nfs/dbraw/zinc/76/21/18/920762118.db2.gz CMPVHHZEARSUGL-DOTOQJQBSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCN1CC[C@]2(NC(=O)CC[N@H+](C)CC)CCC[C@H]12 ZINC001486159126 920762128 /nfs/dbraw/zinc/76/21/28/920762128.db2.gz CMPVHHZEARSUGL-DOTOQJQBSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001122057010 937902345 /nfs/dbraw/zinc/90/23/45/937902345.db2.gz YYEUJZRQYHKBKL-CVEARBPZSA-N 1 3 293.455 1.908 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001280197487 942422595 /nfs/dbraw/zinc/42/25/95/942422595.db2.gz ILIQMAIJHORPED-HZPDHXFCSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001282140352 942668014 /nfs/dbraw/zinc/66/80/14/942668014.db2.gz ILYACMIYLITMHJ-CHWSQXEVSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCN1C)C(C)C ZINC001282561655 942729988 /nfs/dbraw/zinc/72/99/88/942729988.db2.gz HFEMMTSSUHNLPQ-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001283611872 942946550 /nfs/dbraw/zinc/94/65/50/942946550.db2.gz KUZOUYBZZOKHGX-SOUVJXGZSA-N 1 3 279.428 1.177 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001283611872 942946551 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CC#CC[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001265584129 944438571 /nfs/dbraw/zinc/43/85/71/944438571.db2.gz HEJDGNBYRZQRGQ-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001265775890 944504516 /nfs/dbraw/zinc/50/45/16/944504516.db2.gz ZVBVXCAGSWTUNW-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001278325161 946164706 /nfs/dbraw/zinc/16/47/06/946164706.db2.gz HQKHOKOQVMMRPI-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO CC[NH+](CC)C1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC001261552127 946170780 /nfs/dbraw/zinc/17/07/80/946170780.db2.gz HCROWSILTDLDHV-OAHLLOKOSA-N 1 3 294.443 1.730 10 30 CDEEHO C=C(C)CC[N@H+](C)CCCNC(=O)Cc1nc[nH]c1C ZINC001479809473 971431305 /nfs/dbraw/zinc/43/13/05/971431305.db2.gz JISKKCWVPUOBIK-UHFFFAOYSA-N 1 3 278.400 1.665 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCCNC(=O)Cc1nc[nH]c1C ZINC001479809473 971431312 /nfs/dbraw/zinc/43/13/12/971431312.db2.gz JISKKCWVPUOBIK-UHFFFAOYSA-N 1 3 278.400 1.665 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001480287660 971658635 /nfs/dbraw/zinc/65/86/35/971658635.db2.gz GADHUEOELYDIMD-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCOCC1 ZINC001278734467 952008844 /nfs/dbraw/zinc/00/88/44/952008844.db2.gz YCKGRXKBWDBUMD-UHFFFAOYSA-N 1 3 297.443 1.158 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001493256777 971999075 /nfs/dbraw/zinc/99/90/75/971999075.db2.gz NYNPXANOPAUWPH-HUUCEWRRSA-N 1 3 281.444 1.587 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001493256777 971999085 /nfs/dbraw/zinc/99/90/85/971999085.db2.gz NYNPXANOPAUWPH-HUUCEWRRSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001326433161 954378966 /nfs/dbraw/zinc/37/89/66/954378966.db2.gz WDXBOAPMJFUPOZ-HNNXBMFYSA-N 1 3 279.428 1.487 10 30 CDEEHO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001327541003 954924567 /nfs/dbraw/zinc/92/45/67/954924567.db2.gz LPSJEFZTYMDCCB-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001327541003 954924573 /nfs/dbraw/zinc/92/45/73/954924573.db2.gz LPSJEFZTYMDCCB-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001328939830 955566674 /nfs/dbraw/zinc/56/66/74/955566674.db2.gz BIHKRVDKEFWSOZ-YMAMQOFZSA-N 1 3 281.444 1.633 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001492128886 955640295 /nfs/dbraw/zinc/64/02/95/955640295.db2.gz HWXQAJADOIRIOV-ZDUSSCGKSA-N 1 3 255.406 1.387 10 30 CDEEHO C#CC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001329229950 955767739 /nfs/dbraw/zinc/76/77/39/955767739.db2.gz DYFQPZNRGZIQDI-GPANFISMSA-N 1 3 293.455 1.565 10 30 CDEEHO C=CC[NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001317294423 957407768 /nfs/dbraw/zinc/40/77/68/957407768.db2.gz LMPRMWDAGQUVOZ-CYBMUJFWSA-N 1 3 275.396 1.642 10 30 CDEEHO C=CCN[C@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001317722102 957647478 /nfs/dbraw/zinc/64/74/78/957647478.db2.gz NDDGBTHXYXBLMY-OAHLLOKOSA-N 1 3 275.396 1.571 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C ZINC001332808552 957853305 /nfs/dbraw/zinc/85/33/05/957853305.db2.gz UNQUUGSBGRQWHV-GJZGRUSLSA-N 1 3 295.471 1.716 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)CN1CC[C@@H](C)C1 ZINC001495058025 972390830 /nfs/dbraw/zinc/39/08/30/972390830.db2.gz MAYRGQHNISXHDR-KGLIPLIRSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001320564800 959244709 /nfs/dbraw/zinc/24/47/09/959244709.db2.gz UMUVDTMQOWDBBA-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001320819217 959410106 /nfs/dbraw/zinc/41/01/06/959410106.db2.gz HTSCDOJICJQFRP-INIZCTEOSA-N 1 3 293.455 1.570 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001320819217 959410117 /nfs/dbraw/zinc/41/01/17/959410117.db2.gz HTSCDOJICJQFRP-INIZCTEOSA-N 1 3 293.455 1.570 10 30 CDEEHO C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCCN1C(C)C ZINC001320862719 959426557 /nfs/dbraw/zinc/42/65/57/959426557.db2.gz LIIQAVKSMRQDEL-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCCN1CC ZINC001321418751 959776661 /nfs/dbraw/zinc/77/66/61/959776661.db2.gz IMAVBWURRKUXRS-MVGZEHJDSA-N 1 3 277.412 1.146 10 30 CDEEHO C=C(C)C[NH2+]C/C=C\CNC(=O)CN(C)C(C)C ZINC001321421588 959777689 /nfs/dbraw/zinc/77/76/89/959777689.db2.gz WSJGPAYLRAYSLW-SREVYHEPSA-N 1 3 253.390 1.165 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001321533234 959839751 /nfs/dbraw/zinc/83/97/51/959839751.db2.gz SWAIZMIBIICTLP-KGLIPLIRSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CC[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001322088759 960078084 /nfs/dbraw/zinc/07/80/84/960078084.db2.gz NLRFQWSDNRFPPZ-ZDUSSCGKSA-N 1 3 273.380 1.089 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001499943114 974342010 /nfs/dbraw/zinc/34/20/10/974342010.db2.gz AHJDHLVRJAIPFE-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001501617845 974608486 /nfs/dbraw/zinc/60/84/86/974608486.db2.gz GAIQSGMDRVFNMV-CVEARBPZSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001502029387 974677670 /nfs/dbraw/zinc/67/76/70/974677670.db2.gz WIGSQBKYFIHQBY-KBPBESRZSA-N 1 3 279.428 1.674 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001505455495 974884890 /nfs/dbraw/zinc/88/48/90/974884890.db2.gz BQSZKYYBZVRAPE-GJZGRUSLSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001505455495 974884896 /nfs/dbraw/zinc/88/48/96/974884896.db2.gz BQSZKYYBZVRAPE-GJZGRUSLSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001506045674 975100204 /nfs/dbraw/zinc/10/02/04/975100204.db2.gz BIVHCGUCEKNRQQ-LBPRGKRZSA-N 1 3 278.400 1.663 10 30 CDEEHO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001506045674 975100205 /nfs/dbraw/zinc/10/02/05/975100205.db2.gz BIVHCGUCEKNRQQ-LBPRGKRZSA-N 1 3 278.400 1.663 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001507160761 975358814 /nfs/dbraw/zinc/35/88/14/975358814.db2.gz FSAXTOCXEBKNHX-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001507451390 975475105 /nfs/dbraw/zinc/47/51/05/975475105.db2.gz QMGWFPILQDENLC-LSDHHAIUSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001674441425 1173947654 /nfs/dbraw/zinc/94/76/54/1173947654.db2.gz ZEVKKDGHPLCLRP-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001674441425 1173947657 /nfs/dbraw/zinc/94/76/57/1173947657.db2.gz ZEVKKDGHPLCLRP-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H](CC)N(C)C)C(C)C ZINC001675141157 1174079711 /nfs/dbraw/zinc/07/97/11/1174079711.db2.gz VPZVGGYTQQGBQA-CVEARBPZSA-N 1 3 295.471 1.813 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001676674906 1174254795 /nfs/dbraw/zinc/25/47/95/1174254795.db2.gz OBNLRDYABHSPNV-OCCSQVGLSA-N 1 3 276.384 1.497 10 30 CDEEHO C#CCCN(C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001677208508 1174334030 /nfs/dbraw/zinc/33/40/30/1174334030.db2.gz DPQDTWADAWDKTF-UHFFFAOYSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001571649088 1170508757 /nfs/dbraw/zinc/50/87/57/1170508757.db2.gz RDCMZPXSMSLZMG-GOEBONIOSA-N 1 3 293.455 1.567 10 30 CDEEHO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1=CCN(C)CC1 ZINC000600736628 342244284 /nfs/dbraw/zinc/24/42/84/342244284.db2.gz SLQXRTLFMXWCDL-GXTWGEPZSA-N 1 3 263.385 1.281 10 30 CDEEHO C[NH2+]Cc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594426873 342904605 /nfs/dbraw/zinc/90/46/05/342904605.db2.gz RIOOQCBFJMUCCP-CYBMUJFWSA-N 1 3 274.368 1.756 10 30 CDEEHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(C#N)cc1 ZINC000600708936 349875984 /nfs/dbraw/zinc/87/59/84/349875984.db2.gz LYLZXWUSKHKSCP-GFCCVEGCSA-N 1 3 259.353 1.717 10 30 CDEEHO Cc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1C#N ZINC000600699722 349876104 /nfs/dbraw/zinc/87/61/04/349876104.db2.gz CGYWIZFCCUCXHW-UHFFFAOYSA-N 1 3 272.396 1.204 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626970715 367108004 /nfs/dbraw/zinc/10/80/04/367108004.db2.gz QLQJBPVEZKDGKZ-ZFWWWQNUSA-N 1 3 294.443 1.467 10 30 CDEEHO N#Cc1ccc(OCCN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422995016 374366443 /nfs/dbraw/zinc/36/64/43/374366443.db2.gz WUXINSIJNNRSOY-DZGCQCFKSA-N 1 3 259.353 1.654 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000161302847 377566449 /nfs/dbraw/zinc/56/64/49/377566449.db2.gz SGNRBOMHJDHAGO-ZBFHGGJFSA-N 1 3 291.439 1.177 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000161302847 377566454 /nfs/dbraw/zinc/56/64/54/377566454.db2.gz SGNRBOMHJDHAGO-ZBFHGGJFSA-N 1 3 291.439 1.177 10 30 CDEEHO C=CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335658 412903617 /nfs/dbraw/zinc/90/36/17/412903617.db2.gz ORPPPTIAXOXDKR-ZDUSSCGKSA-N 1 3 275.400 1.185 10 30 CDEEHO C#CCN1CC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001663644994 1172737048 /nfs/dbraw/zinc/73/70/48/1172737048.db2.gz NSFBUFGMHXFGBI-INIZCTEOSA-N 1 3 291.439 1.324 10 30 CDEEHO C=CC[C@@]1(C(=O)N2CCN[C@@H](C(C)C)C2)CCC[NH2+]1 ZINC000662770176 413471144 /nfs/dbraw/zinc/47/11/44/413471144.db2.gz MNAMVFGOQKSMKC-HIFRSBDPSA-N 1 3 265.401 1.141 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]C(C)C)CC1 ZINC001665887438 1173079768 /nfs/dbraw/zinc/07/97/68/1173079768.db2.gz ADNDPSJCHVNZJG-OAHLLOKOSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001667290160 1173252197 /nfs/dbraw/zinc/25/21/97/1173252197.db2.gz GLVODGCVSXEDIO-AWEZNQCLSA-N 1 3 276.384 1.499 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001669822183 1173614775 /nfs/dbraw/zinc/61/47/75/1173614775.db2.gz TUYGAJBBSBARHT-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001669822183 1173614777 /nfs/dbraw/zinc/61/47/77/1173614777.db2.gz TUYGAJBBSBARHT-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001672991144 1173816053 /nfs/dbraw/zinc/81/60/53/1173816053.db2.gz TYXRJPNEEZNYEI-RBSFLKMASA-N 1 3 279.428 1.224 10 30 CDEEHO C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000262491141 330017424 /nfs/dbraw/zinc/01/74/24/330017424.db2.gz VAJFBLLSFQVFGG-MGPQQGTHSA-N 1 3 282.432 1.142 10 30 CDEEHO N#CCCC[C@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000424169720 330312088 /nfs/dbraw/zinc/31/20/88/330312088.db2.gz HGAUTRUJFUUZLD-RUXDESIVSA-N 1 3 278.400 1.141 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CC ZINC001691510429 1160192448 /nfs/dbraw/zinc/19/24/48/1160192448.db2.gz KRWRWSCASQMWDE-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001688910970 1175063333 /nfs/dbraw/zinc/06/33/33/1175063333.db2.gz VHBSTIVUPLJNDZ-QLFBSQMISA-N 1 3 279.428 1.080 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000876774602 693893368 /nfs/dbraw/zinc/89/33/68/693893368.db2.gz AWZZBSPAOFLNGD-UONOGXRCSA-N 1 3 299.846 1.647 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000876774602 693893371 /nfs/dbraw/zinc/89/33/71/693893371.db2.gz AWZZBSPAOFLNGD-UONOGXRCSA-N 1 3 299.846 1.647 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)C(C)C ZINC000178580579 688428125 /nfs/dbraw/zinc/42/81/25/688428125.db2.gz DDIRSWGIINPOHO-CHWSQXEVSA-N 1 3 254.422 1.667 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000876956984 688801228 /nfs/dbraw/zinc/80/12/28/688801228.db2.gz PWIJKLJODXKTRO-KBPBESRZSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000876971221 692662393 /nfs/dbraw/zinc/66/23/93/692662393.db2.gz DCCMXRHDYFQJHV-RAIGVLPGSA-N 1 3 287.835 1.822 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000876523675 694707144 /nfs/dbraw/zinc/70/71/44/694707144.db2.gz AYWMHUQNEWUKJN-VXGBXAGGSA-N 1 3 267.760 1.273 10 30 CDEEHO C=CC[C@@H](CO)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925628329 694770122 /nfs/dbraw/zinc/77/01/22/694770122.db2.gz CWBRNHBCVORJPF-YIYPIFLZSA-N 1 3 252.402 1.537 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)OC(C)(C)C ZINC000178569674 694818073 /nfs/dbraw/zinc/81/80/73/694818073.db2.gz YCGVBGZGBWYFLL-GFCCVEGCSA-N 1 3 298.431 1.107 10 30 CDEEHO C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001266942271 1159003809 /nfs/dbraw/zinc/00/38/09/1159003809.db2.gz LCSFCVDGTDTEPT-STQMWFEESA-N 1 3 253.390 1.141 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000876539465 694596132 /nfs/dbraw/zinc/59/61/32/694596132.db2.gz HJPXWKCMHFCMLA-GXFFZTMASA-N 1 3 281.787 1.792 10 30 CDEEHO C#CCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000779342692 694768402 /nfs/dbraw/zinc/76/84/02/694768402.db2.gz VWTSWVHHHFPQBN-SJPCQFCGSA-N 1 3 275.440 1.643 10 30 CDEEHO C#CCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000779342692 694768404 /nfs/dbraw/zinc/76/84/04/694768404.db2.gz VWTSWVHHHFPQBN-SJPCQFCGSA-N 1 3 275.440 1.643 10 30 CDEEHO C#CCCCCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000878247896 695052123 /nfs/dbraw/zinc/05/21/23/695052123.db2.gz LATMIXPNRUBNLD-QGZVFWFLSA-N 1 3 277.456 1.892 10 30 CDEEHO C#CCCCCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000878247896 695052126 /nfs/dbraw/zinc/05/21/26/695052126.db2.gz LATMIXPNRUBNLD-QGZVFWFLSA-N 1 3 277.456 1.892 10 30 CDEEHO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001482331141 1160155356 /nfs/dbraw/zinc/15/53/56/1160155356.db2.gz OCGXZCIINCBVOX-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001565878833 1168064534 /nfs/dbraw/zinc/06/45/34/1168064534.db2.gz ZKRVOTSRVZAZCD-KBUPBQIOSA-N 1 3 279.428 1.530 10 30 CDEEHO CC#CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001566600924 1168352754 /nfs/dbraw/zinc/35/27/54/1168352754.db2.gz QXNITEKXTBUNDQ-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001566600924 1168352757 /nfs/dbraw/zinc/35/27/57/1168352757.db2.gz QXNITEKXTBUNDQ-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001567178060 1168607400 /nfs/dbraw/zinc/60/74/00/1168607400.db2.gz JKVAAVAVRIAFAU-LSDHHAIUSA-N 1 3 279.428 1.367 10 30 CDEEHO C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001568027922 1169123181 /nfs/dbraw/zinc/12/31/81/1169123181.db2.gz LINMFYZDMNMGRG-HOCLYGCPSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCC[NH2+]C1(CC)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001570265362 1170123808 /nfs/dbraw/zinc/12/38/08/1170123808.db2.gz KJDHIGYKIQBEAI-UHFFFAOYSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001650414020 1171042056 /nfs/dbraw/zinc/04/20/56/1171042056.db2.gz XKJLPNNGGJPYSK-MDZLAQPJSA-N 1 3 271.792 1.186 10 30 CDEEHO C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001656650476 1171856224 /nfs/dbraw/zinc/85/62/24/1171856224.db2.gz GEMBHVXFASQJAJ-BMFZPTHFSA-N 1 3 291.439 1.177 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@H](CC)N(C)C)C1CCCC1 ZINC001671555148 1173688544 /nfs/dbraw/zinc/68/85/44/1173688544.db2.gz WQYJRLBAPPTRBV-CABCVRRESA-N 1 3 281.444 1.777 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001698803237 1175939567 /nfs/dbraw/zinc/93/95/67/1175939567.db2.gz LOLZFGJNEZDMNH-GJZGRUSLSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001700391484 1176898058 /nfs/dbraw/zinc/89/80/58/1176898058.db2.gz ANAIGLCRHUTABA-GJZGRUSLSA-N 1 3 293.455 1.757 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001700391483 1176899123 /nfs/dbraw/zinc/89/91/23/1176899123.db2.gz ANAIGLCRHUTABA-CABCVRRESA-N 1 3 293.455 1.757 10 30 CDEEHO C#CCC[N@H+](CC)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001713025022 1178312490 /nfs/dbraw/zinc/31/24/90/1178312490.db2.gz PWNNARQKHCLBIZ-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCC[N@@H+](CC)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001713025022 1178312494 /nfs/dbraw/zinc/31/24/94/1178312494.db2.gz PWNNARQKHCLBIZ-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001714155950 1178994158 /nfs/dbraw/zinc/99/41/58/1178994158.db2.gz LLVKPSCCZIRDNM-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001714155950 1178994163 /nfs/dbraw/zinc/99/41/63/1178994163.db2.gz LLVKPSCCZIRDNM-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001714235570 1179039158 /nfs/dbraw/zinc/03/91/58/1179039158.db2.gz KUABUCLPPWMING-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CC[NH2+]CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001714268698 1179055120 /nfs/dbraw/zinc/05/51/20/1179055120.db2.gz UWOIPLYDNHFIFE-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](F)CN(CC)CC ZINC001715337390 1179631190 /nfs/dbraw/zinc/63/11/90/1179631190.db2.gz IAPQABNDMVRYPK-KGLIPLIRSA-N 1 3 285.407 1.126 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715533854 1179705309 /nfs/dbraw/zinc/70/53/09/1179705309.db2.gz IWUWXAYZIXMZMR-UHFFFAOYSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001716874275 1180449586 /nfs/dbraw/zinc/44/95/86/1180449586.db2.gz KSLQMEIBVYEQGJ-RDJZCZTQSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001717745143 1180823899 /nfs/dbraw/zinc/82/38/99/1180823899.db2.gz PRRLZYFARLPECK-CABCVRRESA-N 1 3 279.428 1.319 10 30 CDEEHO CC#CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001717906752 1180920826 /nfs/dbraw/zinc/92/08/26/1180920826.db2.gz ZXHTWUFIUZSABF-CQSZACIVSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001725056663 1181837924 /nfs/dbraw/zinc/83/79/24/1181837924.db2.gz DSGXKRAJNLDHSP-CQSZACIVSA-N 1 3 265.401 1.191 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001725056663 1181837929 /nfs/dbraw/zinc/83/79/29/1181837929.db2.gz DSGXKRAJNLDHSP-CQSZACIVSA-N 1 3 265.401 1.191 10 30 CDEEHO C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001725373207 1181978739 /nfs/dbraw/zinc/97/87/39/1181978739.db2.gz VATXDYPFXWOFDR-LDKKBFSKSA-N 1 3 291.439 1.367 10 30 CDEEHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001725456254 1182007530 /nfs/dbraw/zinc/00/75/30/1182007530.db2.gz PWNVEEDXWVVTKX-MRXNPFEDSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+][C@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001731727610 1182535833 /nfs/dbraw/zinc/53/58/33/1182535833.db2.gz RGJKSQKKRJUGOV-OAHLLOKOSA-N 1 3 293.455 1.759 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001733126114 1183300960 /nfs/dbraw/zinc/30/09/60/1183300960.db2.gz CPTZKPDNHLHMCW-UHFFFAOYSA-N 1 3 283.460 1.979 10 30 CDEEHO C#CCCN1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001733409282 1183424351 /nfs/dbraw/zinc/42/43/51/1183424351.db2.gz BTMJBNMZAQHFLI-NVXWUHKLSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001734424031 1183773762 /nfs/dbraw/zinc/77/37/62/1183773762.db2.gz DIPPOOJMRRSUQF-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001734549514 1183820954 /nfs/dbraw/zinc/82/09/54/1183820954.db2.gz NZFPMZDXULSCGS-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001734549514 1183820959 /nfs/dbraw/zinc/82/09/59/1183820959.db2.gz NZFPMZDXULSCGS-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000876766461 723187525 /nfs/dbraw/zinc/18/75/25/723187525.db2.gz KPXIHKYSZZTNHS-RYUDHWBXSA-N 1 3 289.851 1.939 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877125522 723599548 /nfs/dbraw/zinc/59/95/48/723599548.db2.gz OJAAWADRSHFDOK-QWRGUYRKSA-N 1 3 259.781 1.186 10 30 CDEEHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CCC)CC1 ZINC001566694337 1168032370 /nfs/dbraw/zinc/03/23/70/1168032370.db2.gz FGWVFDNNRKUGER-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001266813866 896102392 /nfs/dbraw/zinc/10/23/92/896102392.db2.gz DUEOMAYSXKIYSG-INIZCTEOSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001267083415 896728206 /nfs/dbraw/zinc/72/82/06/896728206.db2.gz YHKYDNFTEJXEMV-UONOGXRCSA-N 1 3 279.428 1.674 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001267272862 897436816 /nfs/dbraw/zinc/43/68/16/897436816.db2.gz DDYHHVPNUYWHSZ-CQSZACIVSA-N 1 3 267.417 1.177 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001267272862 897436821 /nfs/dbraw/zinc/43/68/21/897436821.db2.gz DDYHHVPNUYWHSZ-CQSZACIVSA-N 1 3 267.417 1.177 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001267305744 897542186 /nfs/dbraw/zinc/54/21/86/897542186.db2.gz CGCHUSXOAWGCBK-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001267305744 897542196 /nfs/dbraw/zinc/54/21/96/897542196.db2.gz CGCHUSXOAWGCBK-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCN1CC=C(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001279676279 898012125 /nfs/dbraw/zinc/01/21/25/898012125.db2.gz YMIJZCNYDZGYOF-UHFFFAOYSA-N 1 3 279.428 1.653 10 30 CDEEHO C=CCN1CC=C(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001279676279 898012129 /nfs/dbraw/zinc/01/21/29/898012129.db2.gz YMIJZCNYDZGYOF-UHFFFAOYSA-N 1 3 279.428 1.653 10 30 CDEEHO C#CC[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001267918070 899971228 /nfs/dbraw/zinc/97/12/28/899971228.db2.gz ZQMZXFONXNCKEB-INIZCTEOSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001268200830 901555046 /nfs/dbraw/zinc/55/50/46/901555046.db2.gz YCJRBTKAUCQGMJ-MRXNPFEDSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001268200830 901555054 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C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001272223027 909222060 /nfs/dbraw/zinc/22/20/60/909222060.db2.gz CCBFNGLCUHPKFP-JKSUJKDBSA-N 1 3 291.439 1.273 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001485260716 916706267 /nfs/dbraw/zinc/70/62/67/916706267.db2.gz OWOOYGNXXNTTDY-AWEZNQCLSA-N 1 3 279.428 1.036 10 30 CDEEHO C#CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001279169612 917221617 /nfs/dbraw/zinc/22/16/17/917221617.db2.gz HLGDYGCWCPDZAY-HOTGVXAUSA-N 1 3 291.439 1.036 10 30 CDEEHO C#CCCN1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001276388527 936725741 /nfs/dbraw/zinc/72/57/41/936725741.db2.gz IQTLGRFYYUCJSK-ZFWWWQNUSA-N 1 3 279.428 1.032 10 30 CDEEHO C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H](CC)N(C)C ZINC001274511163 931505336 /nfs/dbraw/zinc/50/53/36/931505336.db2.gz OFYFLRRDLWMGRJ-SBDDDAINSA-N 1 3 253.390 1.165 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001278241692 945204618 /nfs/dbraw/zinc/20/46/18/945204618.db2.gz RJOOZXGWKVKASR-HNNXBMFYSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)CN1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001276602014 940408501 /nfs/dbraw/zinc/40/85/01/940408501.db2.gz VNBNKNDAYXIXIB-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+]CCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001277298991 942314215 /nfs/dbraw/zinc/31/42/15/942314215.db2.gz KJTGCTOYVRPQMF-OAHLLOKOSA-N 1 3 295.471 1.862 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001280197485 942422937 /nfs/dbraw/zinc/42/29/37/942422937.db2.gz ILIQMAIJHORPED-CVEARBPZSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001282240007 942683036 /nfs/dbraw/zinc/68/30/36/942683036.db2.gz AYJIFBZMUMKSLG-OLZOCXBDSA-N 1 3 255.406 1.386 10 30 CDEEHO C=CC[NH+]1CCC2(CCN(C(=O)CN(C)CCC)C2)CC1 ZINC001277495448 942818522 /nfs/dbraw/zinc/81/85/22/942818522.db2.gz CXFQWBCZIGIYNR-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@H](F)CN(CC)CC)C(C)(C)C ZINC001332804839 943306503 /nfs/dbraw/zinc/30/65/03/943306503.db2.gz BKSUMTHFKPMAAO-KGLIPLIRSA-N 1 3 299.434 1.420 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001263878365 944017870 /nfs/dbraw/zinc/01/78/70/944017870.db2.gz VHBSTIVUPLJNDZ-RBSFLKMASA-N 1 3 279.428 1.080 10 30 CDEEHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001263928191 944035199 /nfs/dbraw/zinc/03/51/99/944035199.db2.gz USKONYBBOMVIRE-XHSDSOJGSA-N 1 3 293.455 1.470 10 30 CDEEHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001264478507 944140866 /nfs/dbraw/zinc/14/08/66/944140866.db2.gz FFCYBJRNROYZQD-ZNMIVQPWSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001265095254 944228272 /nfs/dbraw/zinc/22/82/72/944228272.db2.gz SCDBHFRSMHZGHF-CABCVRRESA-N 1 3 279.428 1.319 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001265558337 944429061 /nfs/dbraw/zinc/42/90/61/944429061.db2.gz VSBAIVXCZBDWKC-OKILXGFUSA-N 1 3 281.444 1.777 10 30 CDEEHO 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JCWLEKQBJBQBHC-MRXNPFEDSA-N 1 3 293.455 1.570 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001316844168 957065606 /nfs/dbraw/zinc/06/56/06/957065606.db2.gz JCWLEKQBJBQBHC-MRXNPFEDSA-N 1 3 293.455 1.570 10 30 CDEEHO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317042733 957223861 /nfs/dbraw/zinc/22/38/61/957223861.db2.gz GJPVZBRZXBCMKO-HZPDHXFCSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317042733 957223870 /nfs/dbraw/zinc/22/38/70/957223870.db2.gz GJPVZBRZXBCMKO-HZPDHXFCSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317342772 957431219 /nfs/dbraw/zinc/43/12/19/957431219.db2.gz IICIICXFIAURRF-CABCVRRESA-N 1 3 279.428 1.034 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317381721 957442448 /nfs/dbraw/zinc/44/24/48/957442448.db2.gz BVDKOMSIWLVIAS-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001317381721 957442452 /nfs/dbraw/zinc/44/24/52/957442452.db2.gz BVDKOMSIWLVIAS-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001318802907 958268543 /nfs/dbraw/zinc/26/85/43/958268543.db2.gz CSIAHESGJIBBSI-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001319633451 958665185 /nfs/dbraw/zinc/66/51/85/958665185.db2.gz HTAYOJAOAQOPSM-CABCVRRESA-N 1 3 279.428 1.082 10 30 CDEEHO C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001495247819 972457187 /nfs/dbraw/zinc/45/71/87/972457187.db2.gz FYWXPJHVIPGDKW-WBVHZDCISA-N 1 3 291.439 1.367 10 30 CDEEHO C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001322306145 960177928 /nfs/dbraw/zinc/17/79/28/960177928.db2.gz IHXVMIIFWVCKLY-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001322306145 960177937 /nfs/dbraw/zinc/17/79/37/960177937.db2.gz IHXVMIIFWVCKLY-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498401553 973889853 /nfs/dbraw/zinc/88/98/53/973889853.db2.gz ZRBLNJASDYBFGS-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001498504659 973952898 /nfs/dbraw/zinc/95/28/98/973952898.db2.gz PASAGJVTNXRCHN-CABCVRRESA-N 1 3 281.444 1.777 10 30 CDEEHO C=CCCN1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001499101307 974185469 /nfs/dbraw/zinc/18/54/69/974185469.db2.gz XDEYZQXQLDKDPX-KGLIPLIRSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCCN1CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001499101307 974185472 /nfs/dbraw/zinc/18/54/72/974185472.db2.gz XDEYZQXQLDKDPX-KGLIPLIRSA-N 1 3 265.401 1.095 10 30 CDEEHO CC#CCNC1(CNC(=O)CC[N@@H+](C)CCC)CCC1 ZINC001502019119 974676178 /nfs/dbraw/zinc/67/61/78/974676178.db2.gz NRHZGYNIEAIXMG-UHFFFAOYSA-N 1 3 279.428 1.370 10 30 CDEEHO CC#CCNC1(CNC(=O)CC[N@H+](C)CCC)CCC1 ZINC001502019119 974676180 /nfs/dbraw/zinc/67/61/80/974676180.db2.gz NRHZGYNIEAIXMG-UHFFFAOYSA-N 1 3 279.428 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CDEEHO C=CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166908 613780293 /nfs/dbraw/zinc/78/02/93/613780293.db2.gz LOTCAPGKRVDFJO-AWEZNQCLSA-N 1 3 291.439 1.485 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(CC)C1CCN(C)CC1 ZINC000908914833 628414061 /nfs/dbraw/zinc/41/40/61/628414061.db2.gz ZQXBFEQAQKAROC-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000876751703 630562430 /nfs/dbraw/zinc/56/24/30/630562430.db2.gz VTIBXVCMLBZNBS-ONGXEEELSA-N 1 3 259.781 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000876751703 630562432 /nfs/dbraw/zinc/56/24/32/630562432.db2.gz VTIBXVCMLBZNBS-ONGXEEELSA-N 1 3 259.781 1.055 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000876772224 630564899 /nfs/dbraw/zinc/56/48/99/630564899.db2.gz JXPHWUNRWAHTCF-CHWSQXEVSA-N 1 3 287.835 1.789 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000876772224 630564900 /nfs/dbraw/zinc/56/49/00/630564900.db2.gz JXPHWUNRWAHTCF-CHWSQXEVSA-N 1 3 287.835 1.789 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000876772227 630564985 /nfs/dbraw/zinc/56/49/85/630564985.db2.gz JXPHWUNRWAHTCF-STQMWFEESA-N 1 3 287.835 1.789 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000876772227 630564986 /nfs/dbraw/zinc/56/49/86/630564986.db2.gz JXPHWUNRWAHTCF-STQMWFEESA-N 1 3 287.835 1.789 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001266409598 1158534248 /nfs/dbraw/zinc/53/42/48/1158534248.db2.gz MURIECTZVATLHV-CVEARBPZSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H](C)CC)CC1 ZINC001772517092 1158551798 /nfs/dbraw/zinc/55/17/98/1158551798.db2.gz JHCRPTPRNYDPDK-GJZGRUSLSA-N 1 3 293.455 1.472 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877180531 695223479 /nfs/dbraw/zinc/22/34/79/695223479.db2.gz ZBLBYUQJHCNXTJ-GMTAPVOTSA-N 1 3 259.781 1.090 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 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1180453647 /nfs/dbraw/zinc/45/36/47/1180453647.db2.gz XZXJPTBMLGQJRI-HUUCEWRRSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001716884544 1180453651 /nfs/dbraw/zinc/45/36/51/1180453651.db2.gz XZXJPTBMLGQJRI-HUUCEWRRSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CC[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C1CCC1 ZINC001717454368 1180677905 /nfs/dbraw/zinc/67/79/05/1180677905.db2.gz YTIPQKMWILHDGB-UHFFFAOYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1CC ZINC001723384343 1181546227 /nfs/dbraw/zinc/54/62/27/1181546227.db2.gz ICWRCNOISDWKLJ-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001725127980 1181876525 /nfs/dbraw/zinc/87/65/25/1181876525.db2.gz LADSYIPSNTZFRD-UONOGXRCSA-N 1 3 287.407 1.478 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CCC)C1 ZINC001725369033 1181977845 /nfs/dbraw/zinc/97/78/45/1181977845.db2.gz MSAPOBISLXKMOC-HDJSIYSDSA-N 1 3 267.417 1.389 10 30 CDEEHO 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C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(OCC#N)cc1 ZINC000863540525 724452428 /nfs/dbraw/zinc/45/24/28/724452428.db2.gz FLHNDPRZHCQYAO-ZDUSSCGKSA-N 1 3 289.379 1.747 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000876540079 724617512 /nfs/dbraw/zinc/61/75/12/724617512.db2.gz FFCYGYMJQRQSSD-LBPRGKRZSA-N 1 3 273.808 1.304 10 30 CDEEHO C[N@@H+]1CC[C@H](NCCNc2ccc(C#N)cn2)[C@@H]2CCC[C@H]21 ZINC000927161983 725197698 /nfs/dbraw/zinc/19/76/98/725197698.db2.gz AOFLMFAYBOVOEW-HRCADAONSA-N 1 3 299.422 1.828 10 30 CDEEHO C[N@H+]1CC[C@H](NCCNc2ccc(C#N)cn2)[C@@H]2CCC[C@H]21 ZINC000927161983 725197699 /nfs/dbraw/zinc/19/76/99/725197699.db2.gz AOFLMFAYBOVOEW-HRCADAONSA-N 1 3 299.422 1.828 10 30 CDEEHO C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261944229 725442242 /nfs/dbraw/zinc/44/22/42/725442242.db2.gz FGVZBYPJWJWEGB-HZSPNIEDSA-N 1 3 282.432 1.059 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000876867043 725945691 /nfs/dbraw/zinc/94/56/91/725945691.db2.gz PCXNKXRWLWXZEI-LBPRGKRZSA-N 1 3 265.744 1.698 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001566793511 1168425202 /nfs/dbraw/zinc/42/52/02/1168425202.db2.gz SKRYIJCAAWLGNG-HDJSIYSDSA-N 1 3 279.428 1.674 10 30 CDEEHO C=C(C)CN1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001566925763 1168471522 /nfs/dbraw/zinc/47/15/22/1168471522.db2.gz OYYBDLZWFVLUCH-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001266467786 894994346 /nfs/dbraw/zinc/99/43/46/894994346.db2.gz DAWKZHMGQGNCTM-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001266467786 894994353 /nfs/dbraw/zinc/99/43/53/894994353.db2.gz DAWKZHMGQGNCTM-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C#CC[N@@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001567748633 1168948709 /nfs/dbraw/zinc/94/87/09/1168948709.db2.gz NBOPWKWLMRKFRR-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001567748633 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C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001271675192 906589037 /nfs/dbraw/zinc/58/90/37/906589037.db2.gz DNSJHOIFIXLRAM-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001482678862 908247258 /nfs/dbraw/zinc/24/72/58/908247258.db2.gz MOVMZJGKOFLRHE-LSDHHAIUSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)CC[N@@H+](C)CC ZINC001273577789 921395863 /nfs/dbraw/zinc/39/58/63/921395863.db2.gz FBQWXPAISQFDAZ-UHFFFAOYSA-N 1 3 267.417 1.132 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)CC[N@H+](C)CC ZINC001273577789 921395877 /nfs/dbraw/zinc/39/58/77/921395877.db2.gz FBQWXPAISQFDAZ-UHFFFAOYSA-N 1 3 267.417 1.132 10 30 CDEEHO C#CCCN1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001567944369 1169085167 /nfs/dbraw/zinc/08/51/67/1169085167.db2.gz SDZXFVJCMFVUFY-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO C#CCCN1CC[C@H](N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001567944369 1169085179 /nfs/dbraw/zinc/08/51/79/1169085179.db2.gz SDZXFVJCMFVUFY-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO C=CCC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001484923133 916279741 /nfs/dbraw/zinc/27/97/41/916279741.db2.gz FLSOZGICYQVXEX-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001485076076 916473333 /nfs/dbraw/zinc/47/33/33/916473333.db2.gz KNJAOQFHVUKOOG-OAHLLOKOSA-N 1 3 279.428 1.581 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001485076076 916473345 /nfs/dbraw/zinc/47/33/45/916473345.db2.gz KNJAOQFHVUKOOG-OAHLLOKOSA-N 1 3 279.428 1.581 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001486219048 920830480 /nfs/dbraw/zinc/83/04/80/920830480.db2.gz QMNIBDFMQPWZOD-UONOGXRCSA-N 1 3 290.411 1.711 10 30 CDEEHO C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001488664709 926642657 /nfs/dbraw/zinc/64/26/57/926642657.db2.gz VGIZJGQATYNRSB-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001488664709 926642663 /nfs/dbraw/zinc/64/26/63/926642663.db2.gz VGIZJGQATYNRSB-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001488744537 926695172 /nfs/dbraw/zinc/69/51/72/926695172.db2.gz VHBSTIVUPLJNDZ-ZNMIVQPWSA-N 1 3 279.428 1.080 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001490216305 927025699 /nfs/dbraw/zinc/02/56/99/927025699.db2.gz MIPZXUZMKSQOJN-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001490216305 927025714 /nfs/dbraw/zinc/02/57/14/927025714.db2.gz MIPZXUZMKSQOJN-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001490256079 927061332 /nfs/dbraw/zinc/06/13/32/927061332.db2.gz LAHQYBKRLVGZIT-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCC[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001490668426 927275627 /nfs/dbraw/zinc/27/56/27/927275627.db2.gz ORFVQZHYPKUNQM-AWEZNQCLSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001275405522 931775499 /nfs/dbraw/zinc/77/54/99/931775499.db2.gz VMFYGSVHZOHXID-KGLIPLIRSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001490857687 934570929 /nfs/dbraw/zinc/57/09/29/934570929.db2.gz UUIGPLYQRDWOCR-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC001122160418 937909430 /nfs/dbraw/zinc/90/94/30/937909430.db2.gz OFZQXSAFUQLWMJ-CYBMUJFWSA-N 1 3 269.433 1.907 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NC(C)(C)C[N@H+](C)CCC ZINC001122160418 937909432 /nfs/dbraw/zinc/90/94/32/937909432.db2.gz OFZQXSAFUQLWMJ-CYBMUJFWSA-N 1 3 269.433 1.907 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001276604494 940413766 /nfs/dbraw/zinc/41/37/66/940413766.db2.gz WRPYKYUIEJXOTE-HNNXBMFYSA-N 1 3 293.455 1.921 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317160859 942400139 /nfs/dbraw/zinc/40/01/39/942400139.db2.gz CDXITKRFCFFAOV-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[NH2+]C1(CC)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001281017837 942527095 /nfs/dbraw/zinc/52/70/95/942527095.db2.gz UQFFZCUNHBMKGV-UHFFFAOYSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001281956966 942637742 /nfs/dbraw/zinc/63/77/42/942637742.db2.gz NRDZHRDMMREPNQ-CABCVRRESA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001281956966 942637744 /nfs/dbraw/zinc/63/77/44/942637744.db2.gz NRDZHRDMMREPNQ-CABCVRRESA-N 1 3 279.428 1.437 10 30 CDEEHO CC#CCN1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001282677537 942737577 /nfs/dbraw/zinc/73/75/77/942737577.db2.gz BILPKTAEQMYLMH-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CCN1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001282677537 942737580 /nfs/dbraw/zinc/73/75/80/942737580.db2.gz BILPKTAEQMYLMH-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001282928934 942781164 /nfs/dbraw/zinc/78/11/64/942781164.db2.gz MVKYRZNIDDODBW-LSDHHAIUSA-N 1 3 297.443 1.108 10 30 CDEEHO C=CCC[N@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001282977367 942795936 /nfs/dbraw/zinc/79/59/36/942795936.db2.gz IBFDSVISXSARRA-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001282977367 942795942 /nfs/dbraw/zinc/79/59/42/942795942.db2.gz IBFDSVISXSARRA-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001264744250 944173600 /nfs/dbraw/zinc/17/36/00/944173600.db2.gz OZGWLJAWOOPGAX-HNNXBMFYSA-N 1 3 290.411 1.841 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001264744250 944173601 /nfs/dbraw/zinc/17/36/01/944173601.db2.gz OZGWLJAWOOPGAX-HNNXBMFYSA-N 1 3 290.411 1.841 10 30 CDEEHO C#CCC[N@H+](CC)CCCNC(=O)Cc1nc[nH]c1C ZINC001265143762 944248136 /nfs/dbraw/zinc/24/81/36/944248136.db2.gz QDKXYFSVULHETQ-UHFFFAOYSA-N 1 3 276.384 1.112 10 30 CDEEHO C#CCC[N@@H+](CC)CCCNC(=O)Cc1nc[nH]c1C ZINC001265143762 944248145 /nfs/dbraw/zinc/24/81/45/944248145.db2.gz QDKXYFSVULHETQ-UHFFFAOYSA-N 1 3 276.384 1.112 10 30 CDEEHO C#CCN1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001265708311 944476376 /nfs/dbraw/zinc/47/63/76/944476376.db2.gz MKXKGUPVTFMWOE-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCC[C@H]([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001265708311 944476378 /nfs/dbraw/zinc/47/63/78/944476378.db2.gz MKXKGUPVTFMWOE-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCN(C)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001278918624 948225313 /nfs/dbraw/zinc/22/53/13/948225313.db2.gz SUXAPCLQNXWXBO-HNNXBMFYSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCN(C)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001278918624 948225321 /nfs/dbraw/zinc/22/53/21/948225321.db2.gz SUXAPCLQNXWXBO-HNNXBMFYSA-N 1 3 281.444 1.683 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001492303815 955787175 /nfs/dbraw/zinc/78/71/75/955787175.db2.gz PPWSMJXWPVJILA-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001492303815 955787186 /nfs/dbraw/zinc/78/71/86/955787186.db2.gz PPWSMJXWPVJILA-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001317348821 956209520 /nfs/dbraw/zinc/20/95/20/956209520.db2.gz CPPQGRINRCSJGK-LSDHHAIUSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCC)CC1 ZINC001317416310 957461628 /nfs/dbraw/zinc/46/16/28/957461628.db2.gz UCPIRWMPVBRFPK-AWEZNQCLSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CCN1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001317524740 957528741 /nfs/dbraw/zinc/52/87/41/957528741.db2.gz BMHYJTPRFUMMAK-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001317524740 957528748 /nfs/dbraw/zinc/52/87/48/957528748.db2.gz BMHYJTPRFUMMAK-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317524738 957529687 /nfs/dbraw/zinc/52/96/87/957529687.db2.gz BMHYJTPRFUMMAK-CVEARBPZSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001317524738 957529696 /nfs/dbraw/zinc/52/96/96/957529696.db2.gz BMHYJTPRFUMMAK-CVEARBPZSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001317860287 957697878 /nfs/dbraw/zinc/69/78/78/957697878.db2.gz DGWGHXTWWYTWQU-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001317860287 957697889 /nfs/dbraw/zinc/69/78/89/957697889.db2.gz DGWGHXTWWYTWQU-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C#CC[NH+]1CCC(C2(NC(=O)CN(C)CCC)CC2)CC1 ZINC001333181366 958133244 /nfs/dbraw/zinc/13/32/44/958133244.db2.gz YPTFUPYUOQPXNK-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001319362087 958516429 /nfs/dbraw/zinc/51/64/29/958516429.db2.gz PSCYLWLFHLXSGM-UHFFFAOYSA-N 1 3 279.428 1.675 10 30 CDEEHO C#CCNC/C=C\CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001321125529 959605899 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C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001322306143 960176654 /nfs/dbraw/zinc/17/66/54/960176654.db2.gz IHXVMIIFWVCKLY-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CC[NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001495430317 972498437 /nfs/dbraw/zinc/49/84/37/972498437.db2.gz JTNOMOXBNIKMEV-OAHLLOKOSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001438427894 963445314 /nfs/dbraw/zinc/44/53/14/963445314.db2.gz DULJPOQPUWIJKS-WFASDCNBSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001438427894 963445318 /nfs/dbraw/zinc/44/53/18/963445318.db2.gz DULJPOQPUWIJKS-WFASDCNBSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001569524415 1169910252 /nfs/dbraw/zinc/91/02/52/1169910252.db2.gz ZRLUXZZFRGABNS-UONOGXRCSA-N 1 3 290.411 1.888 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001480474117 967951201 /nfs/dbraw/zinc/95/12/01/967951201.db2.gz HNCGNEYBLCBPBY-LBPRGKRZSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001503015772 974809860 /nfs/dbraw/zinc/80/98/60/974809860.db2.gz WQVJKYLCCYTMLV-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001503015772 974809861 /nfs/dbraw/zinc/80/98/61/974809861.db2.gz WQVJKYLCCYTMLV-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001505410600 974864008 /nfs/dbraw/zinc/86/40/08/974864008.db2.gz FOEWNSDCYJAIPS-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCN1CCC([C@@H](C)NC(=O)CCCC[NH+](C)C)CC1 ZINC001508066640 975599423 /nfs/dbraw/zinc/59/94/23/975599423.db2.gz SHRTZSCBKGRUTG-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001676222426 1174194132 /nfs/dbraw/zinc/19/41/32/1174194132.db2.gz QSWQSXHIBFZGOO-OAHLLOKOSA-N 1 3 279.428 1.483 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570530696 1170182299 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CC(C)CN1CC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600729789 342245601 /nfs/dbraw/zinc/24/56/01/342245601.db2.gz HXZRZLCTQPMNQH-GJZGRUSLSA-N 1 3 279.428 1.609 10 30 CDEEHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](N)CCCCC#N ZINC000594424670 342903957 /nfs/dbraw/zinc/90/39/57/342903957.db2.gz HXBPEZQRTQSDAJ-JSGCOSHPSA-N 1 3 268.405 1.277 10 30 CDEEHO C[C@@H](NCCOCCC[NH3+])c1ccc(C#N)c(F)c1 ZINC000600711584 349877081 /nfs/dbraw/zinc/87/70/81/349877081.db2.gz SIPGTXQIRKDITG-LLVKDONJSA-N 1 3 265.332 1.713 10 30 CDEEHO C=CCN(CC=C)[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)C(C)C ZINC000638068065 367969023 /nfs/dbraw/zinc/96/90/23/367969023.db2.gz GISVPSZMGYVICB-CVEARBPZSA-N 1 3 291.439 1.849 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CC(C)C)CC1 ZINC001663013885 1172629005 /nfs/dbraw/zinc/62/90/05/1172629005.db2.gz HGKIOXOROAOJKR-OAHLLOKOSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CC(C)(C)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665023184 413796312 /nfs/dbraw/zinc/79/63/12/413796312.db2.gz DBGPQVPMNSVYIS-AWEZNQCLSA-N 1 3 298.475 1.770 10 30 CDEEHO C=CC(C)(C)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665023184 413796319 /nfs/dbraw/zinc/79/63/19/413796319.db2.gz DBGPQVPMNSVYIS-AWEZNQCLSA-N 1 3 298.475 1.770 10 30 CDEEHO CN(Cc1ccc(C#CCN)s1)C[C@H]1CC[N@H+](C)C1 ZINC000071190469 176067136 /nfs/dbraw/zinc/06/71/36/176067136.db2.gz FWHLWTFPCCLAGU-ZDUSSCGKSA-N 1 3 277.437 1.442 10 30 CDEEHO CN(Cc1ccc(C#CCN)s1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190469 176067137 /nfs/dbraw/zinc/06/71/37/176067137.db2.gz FWHLWTFPCCLAGU-ZDUSSCGKSA-N 1 3 277.437 1.442 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672209491 1173752802 /nfs/dbraw/zinc/75/28/02/1173752802.db2.gz OZHBTBJZVPFARO-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262444822 330013541 /nfs/dbraw/zinc/01/35/41/330013541.db2.gz IKEMADTVISKPQP-UONOGXRCSA-N 1 3 278.444 1.921 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001732366250 1159785812 /nfs/dbraw/zinc/78/58/12/1159785812.db2.gz VWLTTXKTTPSLBB-HUUCEWRRSA-N 1 3 281.444 1.779 10 30 CDEEHO C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001481857314 1159950787 /nfs/dbraw/zinc/95/07/87/1159950787.db2.gz UUZJLAAUWGGONN-HOTGVXAUSA-N 1 3 293.455 1.757 10 30 CDEEHO C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001689059463 1175090314 /nfs/dbraw/zinc/09/03/14/1175090314.db2.gz ZUZKZXYNAFYNIS-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925704716 617777117 /nfs/dbraw/zinc/77/71/17/617777117.db2.gz JOQZZFDUERKEDU-AICCOOGYSA-N 1 3 264.413 1.944 10 30 CDEEHO C=CC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903151769 625877461 /nfs/dbraw/zinc/87/74/61/625877461.db2.gz KERIEWYIQOPHJX-IKKMQULASA-N 1 3 250.386 1.671 10 30 CDEEHO C=CC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151769 625877462 /nfs/dbraw/zinc/87/74/62/625877462.db2.gz KERIEWYIQOPHJX-IKKMQULASA-N 1 3 250.386 1.671 10 30 CDEEHO C#CC[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001266533245 1158599348 /nfs/dbraw/zinc/59/93/48/1158599348.db2.gz GMWOLUBMKFVSPZ-AWEZNQCLSA-N 1 3 279.428 1.036 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001266533245 1158599351 /nfs/dbraw/zinc/59/93/51/1158599351.db2.gz GMWOLUBMKFVSPZ-AWEZNQCLSA-N 1 3 279.428 1.036 10 30 CDEEHO C=CCC[N@H+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001691040458 1158668947 /nfs/dbraw/zinc/66/89/47/1158668947.db2.gz LVVILKOSDUDNQN-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCC[N@@H+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001691040458 1158668948 /nfs/dbraw/zinc/66/89/48/1158668948.db2.gz LVVILKOSDUDNQN-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1CC ZINC001700735376 1160798718 /nfs/dbraw/zinc/79/87/18/1160798718.db2.gz BHZMZRPUIXZTGA-HZPDHXFCSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001647383993 1168633572 /nfs/dbraw/zinc/63/35/72/1168633572.db2.gz LDKMMQLIHHBFBK-OCCSQVGLSA-N 1 3 285.819 1.449 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568497538 1169333059 /nfs/dbraw/zinc/33/30/59/1169333059.db2.gz HZVTUZSVADFSFI-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001569690055 1169966756 /nfs/dbraw/zinc/96/67/56/1169966756.db2.gz JFQUYEIMJZYHIK-GOEBONIOSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001570192549 1170106856 /nfs/dbraw/zinc/10/68/56/1170106856.db2.gz KOFXXGGUNWXMBN-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001570192549 1170106859 /nfs/dbraw/zinc/10/68/59/1170106859.db2.gz KOFXXGGUNWXMBN-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[NH2+]C1(C)CCN(C(=O)CN(C)CCC)CC1 ZINC001570385063 1170148300 /nfs/dbraw/zinc/14/83/00/1170148300.db2.gz XZUHCTNMDPWFEB-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001661073906 1172331416 /nfs/dbraw/zinc/33/14/16/1172331416.db2.gz VBZLQQXYSHLNBZ-GJZGRUSLSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCC[NH2+][C@H](CNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001698978942 1176003383 /nfs/dbraw/zinc/00/33/83/1176003383.db2.gz DLTLRKKVIRPFHR-CQSZACIVSA-N 1 3 278.400 1.567 10 30 CDEEHO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001699098444 1176092017 /nfs/dbraw/zinc/09/20/17/1176092017.db2.gz DJBMTUKJSVVOEX-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CCNCCN(CC)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699182229 1176130831 /nfs/dbraw/zinc/13/08/31/1176130831.db2.gz ZJIOKXRPGYRULR-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001699429920 1176392978 /nfs/dbraw/zinc/39/29/78/1176392978.db2.gz FDMHBCZJRXWCQK-NSHDSACASA-N 1 3 264.373 1.321 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001699931550 1176686714 /nfs/dbraw/zinc/68/67/14/1176686714.db2.gz DMGCSFSAZGJZOG-ZIAGYGMSSA-N 1 3 279.428 1.483 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001700822082 1177151135 /nfs/dbraw/zinc/15/11/35/1177151135.db2.gz IRWSQPLTIMXUKK-CABCVRRESA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001707062276 1177934103 /nfs/dbraw/zinc/93/41/03/1177934103.db2.gz MHPSDYPVICOUSS-MRXNPFEDSA-N 1 3 293.455 1.971 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001713383584 1178529493 /nfs/dbraw/zinc/52/94/93/1178529493.db2.gz ZRBXDOGNRVGNQY-KGLIPLIRSA-N 1 3 288.395 1.301 10 30 CDEEHO C#CCNCCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001713636053 1178691028 /nfs/dbraw/zinc/69/10/28/1178691028.db2.gz VIVBJLHCDDEGRJ-UHFFFAOYSA-N 1 3 287.407 1.086 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001713679430 1178706742 /nfs/dbraw/zinc/70/67/42/1178706742.db2.gz QGFBEGXBVMSHPA-GDBMZVCRSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001713925865 1178851559 /nfs/dbraw/zinc/85/15/59/1178851559.db2.gz PCVVCELZFKINEQ-GASCZTMLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001714080872 1178964990 /nfs/dbraw/zinc/96/49/90/1178964990.db2.gz ZGVKGCGABVLRRP-HUUCEWRRSA-N 1 3 279.428 1.342 10 30 CDEEHO C#CC[NH2+][C@@H](CC)CNC(=O)CN(C)CC(C)(C)C ZINC001714107529 1178975930 /nfs/dbraw/zinc/97/59/30/1178975930.db2.gz RTXGJRZTFJARBE-ZDUSSCGKSA-N 1 3 267.417 1.082 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714573144 1179229090 /nfs/dbraw/zinc/22/90/90/1179229090.db2.gz UKYCJXWDDFIVMW-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN(CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001714584298 1179240804 /nfs/dbraw/zinc/24/08/04/1179240804.db2.gz FQPLAJVSWPQRLA-UHFFFAOYSA-N 1 3 265.401 1.239 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001715319075 1179620925 /nfs/dbraw/zinc/62/09/25/1179620925.db2.gz FUZMPHKNYASEDE-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001716329941 1180156279 /nfs/dbraw/zinc/15/62/79/1180156279.db2.gz MLANCYPFIPSETG-YOVCOIKASA-N 1 3 279.428 1.697 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001716479119 1180243227 /nfs/dbraw/zinc/24/32/27/1180243227.db2.gz ZCUBTXXURPNHAH-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001716479119 1180243230 /nfs/dbraw/zinc/24/32/30/1180243230.db2.gz ZCUBTXXURPNHAH-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001716519925 1180264261 /nfs/dbraw/zinc/26/42/61/1180264261.db2.gz IEFJSIUIWKWHJB-HZPDHXFCSA-N 1 3 293.455 1.616 10 30 CDEEHO CC#CC[NH+]1CCC(C)(CNC(=O)CN(C)C(C)C)CC1 ZINC001716889368 1180454958 /nfs/dbraw/zinc/45/49/58/1180454958.db2.gz HFRHIAYBEDOWNN-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001716963055 1180482659 /nfs/dbraw/zinc/48/26/59/1180482659.db2.gz JEYAPQZYTBWARJ-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001717456523 1180678985 /nfs/dbraw/zinc/67/89/85/1180678985.db2.gz AFFZEXWSEKWKIE-OAHLLOKOSA-N 1 3 293.455 1.426 10 30 CDEEHO C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)N(C)C)C1 ZINC001717559086 1180740548 /nfs/dbraw/zinc/74/05/48/1180740548.db2.gz DITAKWILPRJOFV-OCCSQVGLSA-N 1 3 267.417 1.339 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001717883861 1180912661 /nfs/dbraw/zinc/91/26/61/1180912661.db2.gz FBSLQUKAJNBGET-HUUCEWRRSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C ZINC001717966954 1180950740 /nfs/dbraw/zinc/95/07/40/1180950740.db2.gz UNQUUGSBGRQWHV-HUUCEWRRSA-N 1 3 295.471 1.716 10 30 CDEEHO C=CCC[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001717996746 1180963378 /nfs/dbraw/zinc/96/33/78/1180963378.db2.gz QQUSOCQOOACFRO-NFOMZHRRSA-N 1 3 279.428 1.483 10 30 CDEEHO C=C(C)CC[NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001723124063 1181520010 /nfs/dbraw/zinc/52/00/10/1181520010.db2.gz RNVUNIKEMCCBDD-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCN(C)CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731251042 1182275208 /nfs/dbraw/zinc/27/52/08/1182275208.db2.gz FWQYERFGAMKBPG-UHFFFAOYSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCN(C)CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001731251042 1182275215 /nfs/dbraw/zinc/27/52/15/1182275215.db2.gz FWQYERFGAMKBPG-UHFFFAOYSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001732331698 1182908373 /nfs/dbraw/zinc/90/83/73/1182908373.db2.gz QZXOJWWSDZIEKQ-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001732331698 1182908379 /nfs/dbraw/zinc/90/83/79/1182908379.db2.gz QZXOJWWSDZIEKQ-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001732366242 1182928847 /nfs/dbraw/zinc/92/88/47/1182928847.db2.gz VWLTTXKTTPSLBB-CABCVRRESA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(C)CCN1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001733224826 1183351112 /nfs/dbraw/zinc/35/11/12/1183351112.db2.gz DBOZPTALIQYYFS-INIZCTEOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001733360455 1183409061 /nfs/dbraw/zinc/40/90/61/1183409061.db2.gz UFWMIAFZXZRHMJ-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCCN1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001733409285 1183424393 /nfs/dbraw/zinc/42/43/93/1183424393.db2.gz BTMJBNMZAQHFLI-WBVHZDCISA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001733650739 1183489637 /nfs/dbraw/zinc/48/96/37/1183489637.db2.gz DBSTXHQCKXEACN-CABCVRRESA-N 1 3 281.444 1.587 10 30 CDEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C1CCC1 ZINC001734019329 1183615730 /nfs/dbraw/zinc/61/57/30/1183615730.db2.gz CSWDWDWHOFFPIM-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001734263351 1183707726 /nfs/dbraw/zinc/70/77/26/1183707726.db2.gz OYECBOBJWSBLSE-GJZGRUSLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001734345776 1183742174 /nfs/dbraw/zinc/74/21/74/1183742174.db2.gz WQMRZANYSKWZPJ-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000876505461 726885038 /nfs/dbraw/zinc/88/50/38/726885038.db2.gz WDDIYSUJIGMITI-SNVBAGLBSA-N 1 3 259.781 1.234 10 30 CDEEHO C=CC[NH+]1CCC(NCc2cnc3c(cnn3C)c2)CC1 ZINC000865453920 726974375 /nfs/dbraw/zinc/97/43/75/726974375.db2.gz LVCQDTOSFILWHA-UHFFFAOYSA-N 1 3 285.395 1.708 10 30 CDEEHO C#CCCCCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000878769493 727027711 /nfs/dbraw/zinc/02/77/11/727027711.db2.gz PIXHLBVVPAFFLI-UHFFFAOYSA-N 1 3 264.413 1.977 10 30 CDEEHO CCNC(NC[C@H](C)N1CCC[C@@H](C)C1)=[NH+]CC ZINC000303368311 727294663 /nfs/dbraw/zinc/29/46/63/727294663.db2.gz ISYGRFDSWZHMRB-OLZOCXBDSA-N 1 3 254.422 1.682 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000876939566 727398755 /nfs/dbraw/zinc/39/87/55/727398755.db2.gz HVRCDARDLPIZBR-LBPRGKRZSA-N 1 3 273.808 1.257 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1CC ZINC001566025172 1168216647 /nfs/dbraw/zinc/21/66/47/1168216647.db2.gz GSLDXWOAJQPHKO-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1CC ZINC001566025172 1168216654 /nfs/dbraw/zinc/21/66/54/1168216654.db2.gz GSLDXWOAJQPHKO-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567054331 1168536838 /nfs/dbraw/zinc/53/68/38/1168536838.db2.gz PSQVLJJGCPWOIP-CJNGLKHVSA-N 1 3 299.434 1.869 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001121922824 913239238 /nfs/dbraw/zinc/23/92/38/913239238.db2.gz PUJJCBPTCMYJSF-QLFBSQMISA-N 1 3 281.444 1.859 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001121922824 913239258 /nfs/dbraw/zinc/23/92/58/913239258.db2.gz PUJJCBPTCMYJSF-QLFBSQMISA-N 1 3 281.444 1.859 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001266562184 895373270 /nfs/dbraw/zinc/37/32/70/895373270.db2.gz POPAUSSXSPDNSF-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001266770421 896014257 /nfs/dbraw/zinc/01/42/57/896014257.db2.gz VWOQEKNWCLQQHI-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001266770421 896014271 /nfs/dbraw/zinc/01/42/71/896014271.db2.gz VWOQEKNWCLQQHI-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267053168 896642422 /nfs/dbraw/zinc/64/24/22/896642422.db2.gz LBLUUCGUCBJGKZ-LSDHHAIUSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001480938927 897809995 /nfs/dbraw/zinc/80/99/95/897809995.db2.gz OOHUWQNCLDUQSR-CQSZACIVSA-N 1 3 269.433 1.587 10 30 CDEEHO C=C(C)CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001480938927 897810004 /nfs/dbraw/zinc/81/00/04/897810004.db2.gz OOHUWQNCLDUQSR-CQSZACIVSA-N 1 3 269.433 1.587 10 30 CDEEHO CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001269623716 903989287 /nfs/dbraw/zinc/98/92/87/903989287.db2.gz ZYVSXFBUWZXHIK-ZBFHGGJFSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CC)CC1 ZINC001270345474 904549299 /nfs/dbraw/zinc/54/92/99/904549299.db2.gz DFHDFCCTXIQIOK-HNNXBMFYSA-N 1 3 279.428 1.273 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001270516627 904691644 /nfs/dbraw/zinc/69/16/44/904691644.db2.gz GFBVKXFQBOKJMS-CZUORRHYSA-N 1 3 299.434 1.727 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCOCC1 ZINC001271064559 905603314 /nfs/dbraw/zinc/60/33/14/905603314.db2.gz MNUYTIXRQGHIEQ-CQSZACIVSA-N 1 3 297.443 1.014 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001482460775 905695969 /nfs/dbraw/zinc/69/59/69/905695969.db2.gz DUPKNPHWMJWMEQ-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[NH2+][C@H](CC)CNC(=O)CN1CC[C@@H](C)C1 ZINC001567977501 1169104275 /nfs/dbraw/zinc/10/42/75/1169104275.db2.gz YIXYNAAPXSDGOE-ZIAGYGMSSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001483952490 915233784 /nfs/dbraw/zinc/23/37/84/915233784.db2.gz XHGOXSJOAGVMMH-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001485076933 916476423 /nfs/dbraw/zinc/47/64/23/916476423.db2.gz LNJBSWSUCGGEHG-HOTGVXAUSA-N 1 3 293.455 1.519 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001485076933 916476437 /nfs/dbraw/zinc/47/64/37/916476437.db2.gz LNJBSWSUCGGEHG-HOTGVXAUSA-N 1 3 293.455 1.519 10 30 CDEEHO C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001485096403 916508115 /nfs/dbraw/zinc/50/81/15/916508115.db2.gz ZVGXUEUNWQHFPR-JXQTWKCFSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001485340978 916857016 /nfs/dbraw/zinc/85/70/16/916857016.db2.gz AJJHWCAHCXRIQQ-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001485340978 916857026 /nfs/dbraw/zinc/85/70/26/916857026.db2.gz AJJHWCAHCXRIQQ-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001486127941 920759026 /nfs/dbraw/zinc/75/90/26/920759026.db2.gz HZOXOYOOYGBMGE-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001491154866 936866080 /nfs/dbraw/zinc/86/60/80/936866080.db2.gz WZPUGIXWGKFFHL-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001568463327 1169299526 /nfs/dbraw/zinc/29/95/26/1169299526.db2.gz ZEMBXVHMOUADTI-CQSZACIVSA-N 1 3 281.444 1.328 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001276910242 941690331 /nfs/dbraw/zinc/69/03/31/941690331.db2.gz XPKMNHLRUUMPOF-JYJNAYRXSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001276910242 941690335 /nfs/dbraw/zinc/69/03/35/941690335.db2.gz XPKMNHLRUUMPOF-JYJNAYRXSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001524268625 970833590 /nfs/dbraw/zinc/83/35/90/970833590.db2.gz XPXVZKNPMXRIJG-QWRGUYRKSA-N 1 3 259.781 1.057 10 30 CDEEHO C=CCC[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCOCC1 ZINC001281280992 942556612 /nfs/dbraw/zinc/55/66/12/942556612.db2.gz YQKRAORTFVDXKT-AWEZNQCLSA-N 1 3 297.443 1.158 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001281928081 942631784 /nfs/dbraw/zinc/63/17/84/942631784.db2.gz IXCQPEUHDYMRCU-GJZGRUSLSA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001281928081 942631785 /nfs/dbraw/zinc/63/17/85/942631785.db2.gz IXCQPEUHDYMRCU-GJZGRUSLSA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001283296471 942872540 /nfs/dbraw/zinc/87/25/40/942872540.db2.gz JOBCUHKIQJKZDT-OAHLLOKOSA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001283296471 942872545 /nfs/dbraw/zinc/87/25/45/942872545.db2.gz JOBCUHKIQJKZDT-OAHLLOKOSA-N 1 3 277.412 1.027 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001284653828 943234616 /nfs/dbraw/zinc/23/46/16/943234616.db2.gz VNTICSZSWNKGAG-ZDUSSCGKSA-N 1 3 269.433 1.633 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001277866905 943901615 /nfs/dbraw/zinc/90/16/15/943901615.db2.gz ZRDNYMOZYQEHDK-CQSZACIVSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001265416408 944376835 /nfs/dbraw/zinc/37/68/35/944376835.db2.gz ZISHEVBOLAZUID-HRCADAONSA-N 1 3 291.439 1.580 10 30 CDEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001265416408 944376842 /nfs/dbraw/zinc/37/68/42/944376842.db2.gz ZISHEVBOLAZUID-HRCADAONSA-N 1 3 291.439 1.580 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001265982640 944612917 /nfs/dbraw/zinc/61/29/17/944612917.db2.gz IVNVBAZVYNEAOI-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001325434307 953901548 /nfs/dbraw/zinc/90/15/48/953901548.db2.gz AGMGUNAZLNLIHF-HUUCEWRRSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCC1 ZINC001326899940 954607011 /nfs/dbraw/zinc/60/70/11/954607011.db2.gz RADRZPUJDMIDRJ-OAHLLOKOSA-N 1 3 291.439 1.511 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001317092487 957265171 /nfs/dbraw/zinc/26/51/71/957265171.db2.gz BTVVQVPFQKGRFI-HDJSIYSDSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCCN1CC ZINC001317491625 957509854 /nfs/dbraw/zinc/50/98/54/957509854.db2.gz DHIHJNBWUIAOHV-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCCN1CC ZINC001317491625 957509857 /nfs/dbraw/zinc/50/98/57/957509857.db2.gz DHIHJNBWUIAOHV-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[N@H+](CCC)CCNC(=O)C1(N(C)C)CCC1 ZINC001317540837 957536703 /nfs/dbraw/zinc/53/67/03/957536703.db2.gz MKJFLEDEIPNTFC-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCC[N@@H+](CCC)CCNC(=O)C1(N(C)C)CCC1 ZINC001317540837 957536710 /nfs/dbraw/zinc/53/67/10/957536710.db2.gz MKJFLEDEIPNTFC-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001318830502 958277486 /nfs/dbraw/zinc/27/74/86/958277486.db2.gz GYXHWOMPLGEJAG-HOTGVXAUSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001319831418 958742576 /nfs/dbraw/zinc/74/25/76/958742576.db2.gz JQBXTFOQADDCRM-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001322442576 960221920 /nfs/dbraw/zinc/22/19/20/960221920.db2.gz MVGIIAZDTOHADK-GFCCVEGCSA-N 1 3 273.808 1.271 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CCCC[C@H]2C[NH2+]C)CC1 ZINC001336812883 960619513 /nfs/dbraw/zinc/61/95/13/960619513.db2.gz YCPYGXNRZSFOCV-HNNXBMFYSA-N 1 3 294.443 1.420 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001324100237 961166291 /nfs/dbraw/zinc/16/62/91/961166291.db2.gz WVRUFBKABIJVDT-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001324286072 961287321 /nfs/dbraw/zinc/28/73/21/961287321.db2.gz NSTQUXZNPXDJPD-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001343015952 963885264 /nfs/dbraw/zinc/88/52/64/963885264.db2.gz XOMUIKUBIIGXFO-MBNYWOFBSA-N 1 3 251.374 1.010 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)CC[NH2+]C(C)(C)C ZINC001448869655 967287515 /nfs/dbraw/zinc/28/75/15/967287515.db2.gz BHUAALOKXMCLRY-UHFFFAOYSA-N 1 3 269.433 1.731 10 30 CDEEHO C=C(C)CN1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569650736 1169954155 /nfs/dbraw/zinc/95/41/55/1169954155.db2.gz HBEDEQCZJUGZTP-MRXNPFEDSA-N 1 3 281.444 1.875 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497414302 973336044 /nfs/dbraw/zinc/33/60/44/973336044.db2.gz LBJGCFQDLVTTRO-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497414302 973336055 /nfs/dbraw/zinc/33/60/55/973336055.db2.gz LBJGCFQDLVTTRO-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001498118552 973692673 /nfs/dbraw/zinc/69/26/73/973692673.db2.gz RMSNPFPMQBUDMB-XJKSGUPXSA-N 1 3 297.418 1.317 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001498367339 973863253 /nfs/dbraw/zinc/86/32/53/973863253.db2.gz VQEGAAVFSNOFED-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001498367339 973863258 /nfs/dbraw/zinc/86/32/58/973863258.db2.gz VQEGAAVFSNOFED-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCN1C ZINC001377008764 974851293 /nfs/dbraw/zinc/85/12/93/974851293.db2.gz CUFIFKKWISDADE-RYUDHWBXSA-N 1 3 273.808 1.318 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)CCC)CCO1 ZINC001506853229 975234758 /nfs/dbraw/zinc/23/47/58/975234758.db2.gz TUWJDXWJCDSEPF-GJZGRUSLSA-N 1 3 297.443 1.110 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001676667346 1174253052 /nfs/dbraw/zinc/25/30/52/1174253052.db2.gz DEIOPZDBYBMSAL-LSDHHAIUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001570542283 1170182661 /nfs/dbraw/zinc/18/26/61/1170182661.db2.gz QTRDANRWUGFOOP-AWEZNQCLSA-N 1 3 276.384 1.451 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001570542283 1170182664 /nfs/dbraw/zinc/18/26/64/1170182664.db2.gz QTRDANRWUGFOOP-AWEZNQCLSA-N 1 3 276.384 1.451 10 30 CDEEHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)CCCCC#N ZINC000594428128 342897469 /nfs/dbraw/zinc/89/74/69/342897469.db2.gz ZOTZENZUAUAEJU-NSHDSACASA-N 1 3 254.378 1.031 10 30 CDEEHO C[NH+](C)CC1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594435133 342898989 /nfs/dbraw/zinc/89/89/89/342898989.db2.gz AZKYVAZLQFLXJN-YMAMQOFZSA-N 1 3 294.443 1.634 10 30 CDEEHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594437768 342906021 /nfs/dbraw/zinc/90/60/21/342906021.db2.gz PFICNWILOPWIGX-QLFBSQMISA-N 1 3 292.427 1.340 10 30 CDEEHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594437768 342906022 /nfs/dbraw/zinc/90/60/22/342906022.db2.gz PFICNWILOPWIGX-QLFBSQMISA-N 1 3 292.427 1.340 10 30 CDEEHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594438768 342906375 /nfs/dbraw/zinc/90/63/75/342906375.db2.gz WWJPEXCPXPSLGY-ZIAGYGMSSA-N 1 3 280.416 1.340 10 30 CDEEHO C[C@H](CNC(=O)[C@@H](N)CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594438242 342906429 /nfs/dbraw/zinc/90/64/29/342906429.db2.gz NNVCCVGKOYZDBR-CABCVRRESA-N 1 3 294.443 1.634 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000594441939 342907679 /nfs/dbraw/zinc/90/76/79/342907679.db2.gz YWQRJCQAQPXRPV-AWEZNQCLSA-N 1 3 280.416 1.390 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000594442029 342907727 /nfs/dbraw/zinc/90/77/27/342907727.db2.gz ZSMGOFSBMHEIJG-GJZGRUSLSA-N 1 3 292.427 1.484 10 30 CDEEHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594425061 342904321 /nfs/dbraw/zinc/90/43/21/342904321.db2.gz JMKUMOHMRKAISE-STQMWFEESA-N 1 3 268.405 1.229 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000595958736 343196034 /nfs/dbraw/zinc/19/60/34/343196034.db2.gz GYXAPQNJWJMQJB-KKUMJFAQSA-N 1 3 292.427 1.531 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000595958736 343196035 /nfs/dbraw/zinc/19/60/35/343196035.db2.gz GYXAPQNJWJMQJB-KKUMJFAQSA-N 1 3 292.427 1.531 10 30 CDEEHO CNC(=[NH2+])NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000153557417 361358765 /nfs/dbraw/zinc/35/87/65/361358765.db2.gz RFPJFIMGWYTQFR-OAHLLOKOSA-N 1 3 260.385 1.575 10 30 CDEEHO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C#CCN)C1 ZINC000044560315 175204230 /nfs/dbraw/zinc/20/42/30/175204230.db2.gz VPDNOELEDHJQEM-AWEZNQCLSA-N 1 3 285.391 1.068 10 30 CDEEHO C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C#CCN)C1 ZINC000044560315 175204231 /nfs/dbraw/zinc/20/42/31/175204231.db2.gz VPDNOELEDHJQEM-AWEZNQCLSA-N 1 3 285.391 1.068 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001665828135 1173069216 /nfs/dbraw/zinc/06/92/16/1173069216.db2.gz JUGPXMSLBOLHBJ-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C[C@@H](c1ccc(C#N)cc1)N(C)CCN1CC[NH2+]CC1 ZINC000071148523 176044183 /nfs/dbraw/zinc/04/41/83/176044183.db2.gz FZSZWEPJOPPQAL-AWEZNQCLSA-N 1 3 272.396 1.456 10 30 CDEEHO Cc1ccc2c(c1)C(C#N)N(CCC[NH+](C)C)C2=O ZINC000071678053 176243164 /nfs/dbraw/zinc/24/31/64/176243164.db2.gz DZRDANIMCGCSEN-CQSZACIVSA-N 1 3 257.337 1.967 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001667032688 1173225801 /nfs/dbraw/zinc/22/58/01/1173225801.db2.gz DLMDWFQXTVJHNT-KGLIPLIRSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001669955824 1173638375 /nfs/dbraw/zinc/63/83/75/1173638375.db2.gz KTIMYKNMMXUOLB-HUUCEWRRSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001690584148 1175512192 /nfs/dbraw/zinc/51/21/92/1175512192.db2.gz GOFSOWLOLHDYNW-KBPBESRZSA-N 1 3 281.444 1.920 10 30 CDEEHO CC(C)CN1CCCC[C@@H]1CNC1=[NH+]CCN1C ZINC000262658989 330024939 /nfs/dbraw/zinc/02/49/39/330024939.db2.gz MKSXABSMLCJBHK-CYBMUJFWSA-N 1 3 252.406 1.388 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001691482090 1159376187 /nfs/dbraw/zinc/37/61/87/1159376187.db2.gz ZKRVOTSRVZAZCD-ZQDZILKHSA-N 1 3 279.428 1.530 10 30 CDEEHO C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268735965 1160012373 /nfs/dbraw/zinc/01/23/73/1160012373.db2.gz PNXCWQVTQJKSKN-STQMWFEESA-N 1 3 255.406 1.195 10 30 CDEEHO C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268735965 1160012380 /nfs/dbraw/zinc/01/23/80/1160012380.db2.gz PNXCWQVTQJKSKN-STQMWFEESA-N 1 3 255.406 1.195 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001482331149 1160155243 /nfs/dbraw/zinc/15/52/43/1160155243.db2.gz OCGXZCIINCBVOX-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO CCN[C@@](C)(C#N)C[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000068612662 520128411 /nfs/dbraw/zinc/12/84/11/520128411.db2.gz PJVOFFRQDHQPQZ-GDBMZVCRSA-N 1 3 280.460 1.930 10 30 CDEEHO N#C[C@H]1CCC[C@@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC000333616995 534749283 /nfs/dbraw/zinc/74/92/83/534749283.db2.gz SVRXRRDWDRWLDR-WCQYABFASA-N 1 3 288.399 1.444 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333417916 526440418 /nfs/dbraw/zinc/44/04/18/526440418.db2.gz SDHVZQIJRSJLGT-AWEZNQCLSA-N 1 3 280.416 1.078 10 30 CDEEHO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001690197959 1175400719 /nfs/dbraw/zinc/40/07/19/1175400719.db2.gz YUVCWHOCTMMKES-MRXNPFEDSA-N 1 3 293.455 1.522 10 30 CDEEHO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001690197959 1175400726 /nfs/dbraw/zinc/40/07/26/1175400726.db2.gz YUVCWHOCTMMKES-MRXNPFEDSA-N 1 3 293.455 1.522 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166909 613741145 /nfs/dbraw/zinc/74/11/45/613741145.db2.gz LOTCAPGKRVDFJO-CQSZACIVSA-N 1 3 291.439 1.485 10 30 CDEEHO C#CCN(C(=O)NCC[NH+](CC)CC)C1CCN(C)CC1 ZINC000913831242 630816169 /nfs/dbraw/zinc/81/61/69/630816169.db2.gz SJVRYPRNWBOXOD-UHFFFAOYSA-N 1 3 294.443 1.067 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001271093447 1160244616 /nfs/dbraw/zinc/24/46/16/1160244616.db2.gz OENZZAAMPRYCPO-UONOGXRCSA-N 1 3 269.433 1.585 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001566852970 1168445084 /nfs/dbraw/zinc/44/50/84/1168445084.db2.gz NHYUWTWNHLUNBS-OKILXGFUSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001656241086 1171798149 /nfs/dbraw/zinc/79/81/49/1171798149.db2.gz MVXUJCLZYRGYNO-VGWMRTNUSA-N 1 3 293.455 1.920 10 30 CDEEHO C#CCC[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001662335549 1172532850 /nfs/dbraw/zinc/53/28/50/1172532850.db2.gz ZYKKVYFDZLEJGB-CYBMUJFWSA-N 1 3 267.417 1.082 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001662426323 1172548038 /nfs/dbraw/zinc/54/80/38/1172548038.db2.gz XBEYJDWYSUPIBJ-HNNXBMFYSA-N 1 3 291.439 1.392 10 30 CDEEHO C#CC[N@@H+](CC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001674353490 1173936424 /nfs/dbraw/zinc/93/64/24/1173936424.db2.gz OCMZJPHOPDBVSD-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CC[N@H+](CC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001674353490 1173936431 /nfs/dbraw/zinc/93/64/31/1173936431.db2.gz OCMZJPHOPDBVSD-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001698655102 1175888386 /nfs/dbraw/zinc/88/83/86/1175888386.db2.gz ZYVSXFBUWZXHIK-GOEBONIOSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001698802964 1175939561 /nfs/dbraw/zinc/93/95/61/1175939561.db2.gz LOLZFGJNEZDMNH-GASCZTMLSA-N 1 3 291.439 1.511 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001699315673 1176217419 /nfs/dbraw/zinc/21/74/19/1176217419.db2.gz USDOTRHQHAEOPL-WAYWQWQTSA-N 1 3 277.412 1.004 10 30 CDEEHO C#CCN1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001699876437 1176665865 /nfs/dbraw/zinc/66/58/65/1176665865.db2.gz GOFJPMKZVGWINJ-RDJZCZTQSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCN1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001700888962 1177179915 /nfs/dbraw/zinc/17/99/15/1177179915.db2.gz RUYJZPASHCZLDB-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001700888962 1177179922 /nfs/dbraw/zinc/17/99/22/1177179922.db2.gz RUYJZPASHCZLDB-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C ZINC001700993378 1177230078 /nfs/dbraw/zinc/23/00/78/1177230078.db2.gz SGZYUIABPQPINY-QWHCGFSZSA-N 1 3 269.433 1.633 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001714006741 1178922747 /nfs/dbraw/zinc/92/27/47/1178922747.db2.gz BAVOVFDWSFLDRW-OKILXGFUSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CC=C)CC1 ZINC001714125634 1178984030 /nfs/dbraw/zinc/98/40/30/1178984030.db2.gz ZMRTXWQIAUNASX-HNNXBMFYSA-N 1 3 277.412 1.002 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001714230865 1179034678 /nfs/dbraw/zinc/03/46/78/1179034678.db2.gz XEEHWGJSXPEWMZ-AWEZNQCLSA-N 1 3 288.395 1.194 10 30 CDEEHO C=CCC[NH2+]CCN(C)C(=O)CN(C)C1CCC1 ZINC001714713533 1179353048 /nfs/dbraw/zinc/35/30/48/1179353048.db2.gz APCVPDOXXHYBTG-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001715257381 1179598443 /nfs/dbraw/zinc/59/84/43/1179598443.db2.gz OJNJGUQOGKJOSU-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](F)CN(CC)CC ZINC001715337392 1179631660 /nfs/dbraw/zinc/63/16/60/1179631660.db2.gz IAPQABNDMVRYPK-UONOGXRCSA-N 1 3 285.407 1.126 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001715975365 1179956966 /nfs/dbraw/zinc/95/69/66/1179956966.db2.gz AYCGFSJMWUDVIY-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001716174067 1180084062 /nfs/dbraw/zinc/08/40/62/1180084062.db2.gz KKTXRMNXLGNQRR-XJKSGUPXSA-N 1 3 297.418 1.317 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001716223829 1180110494 /nfs/dbraw/zinc/11/04/94/1180110494.db2.gz FSKMWNLJEDNESG-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001716223829 1180110498 /nfs/dbraw/zinc/11/04/98/1180110498.db2.gz FSKMWNLJEDNESG-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001716874276 1180449110 /nfs/dbraw/zinc/44/91/10/1180449110.db2.gz KSLQMEIBVYEQGJ-WBVHZDCISA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001717092942 1180529418 /nfs/dbraw/zinc/52/94/18/1180529418.db2.gz HIXZOHOUQDDERP-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001717186831 1180563900 /nfs/dbraw/zinc/56/39/00/1180563900.db2.gz TZFCIKRVOYCYBW-HNNXBMFYSA-N 1 3 297.443 1.110 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001717757847 1180834076 /nfs/dbraw/zinc/83/40/76/1180834076.db2.gz RIRZIJYMDRSAGH-AWEZNQCLSA-N 1 3 269.433 1.729 10 30 CDEEHO CC#CCN1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001717843183 1180887853 /nfs/dbraw/zinc/88/78/53/1180887853.db2.gz WHOPXAFJRGGZHG-RDJZCZTQSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001723689649 1181592650 /nfs/dbraw/zinc/59/26/50/1181592650.db2.gz AEKJQFMOTCAZPJ-KRWDZBQOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001723689649 1181592655 /nfs/dbraw/zinc/59/26/55/1181592655.db2.gz AEKJQFMOTCAZPJ-KRWDZBQOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)Cc1c[nH]cn1 ZINC001731958031 1182700529 /nfs/dbraw/zinc/70/05/29/1182700529.db2.gz YEMLMPTYRVYORN-LBPRGKRZSA-N 1 3 264.373 1.355 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001732004700 1182721870 /nfs/dbraw/zinc/72/18/70/1182721870.db2.gz VLPAOURBIHFEAN-CQSZACIVSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001732344207 1182917333 /nfs/dbraw/zinc/91/73/33/1182917333.db2.gz ULQLRGNGCWBDIQ-HNNXBMFYSA-N 1 3 293.455 1.616 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001732724803 1183094692 /nfs/dbraw/zinc/09/46/92/1183094692.db2.gz VGMFZLLXGWINJF-LBPRGKRZSA-N 1 3 287.835 1.565 10 30 CDEEHO C#CCC[NH2+]CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001733136528 1183304104 /nfs/dbraw/zinc/30/41/04/1183304104.db2.gz XERKJHQVOFATTO-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001733930937 1183572615 /nfs/dbraw/zinc/57/26/15/1183572615.db2.gz ZULNISCQQPOJSI-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001733930937 1183572620 /nfs/dbraw/zinc/57/26/20/1183572620.db2.gz ZULNISCQQPOJSI-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877249310 728769094 /nfs/dbraw/zinc/76/90/94/728769094.db2.gz ITCLSNBMTJPUQP-WOPDTQHZSA-N 1 3 271.792 1.009 10 30 CDEEHO 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BGWDCYWDEFGUOR-RBSFLKMASA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001488664711 926643587 /nfs/dbraw/zinc/64/35/87/926643587.db2.gz VGIZJGQATYNRSB-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001488664711 926643590 /nfs/dbraw/zinc/64/35/90/926643590.db2.gz VGIZJGQATYNRSB-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C2CCC2)CC1 ZINC001490596096 927249658 /nfs/dbraw/zinc/24/96/58/927249658.db2.gz UKYUGONJPMRBMJ-OAHLLOKOSA-N 1 3 289.423 1.075 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001490660631 927291039 /nfs/dbraw/zinc/29/10/39/927291039.db2.gz HGLIRFMHMYXXGQ-HOTGVXAUSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001282140353 942668238 /nfs/dbraw/zinc/66/82/38/942668238.db2.gz ILYACMIYLITMHJ-OLZOCXBDSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C 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C=CCN1CCC(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC001262571284 946722664 /nfs/dbraw/zinc/72/26/64/946722664.db2.gz QIIWPPQQNKWAMS-ZDUSSCGKSA-N 1 3 280.416 1.016 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001331936491 947607612 /nfs/dbraw/zinc/60/76/12/947607612.db2.gz CCNJOWNMLWXWAK-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001279038194 948635185 /nfs/dbraw/zinc/63/51/85/948635185.db2.gz FUBKXYNHSFCDCC-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001278671803 951450547 /nfs/dbraw/zinc/45/05/47/951450547.db2.gz CIUBEFCZPCYFAC-INIZCTEOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC001326913226 954614535 /nfs/dbraw/zinc/61/45/35/954614535.db2.gz ILDLXZJHWRPHCH-CYBMUJFWSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCN1CC[C@@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001316809281 957030509 /nfs/dbraw/zinc/03/05/09/957030509.db2.gz 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1158813895 /nfs/dbraw/zinc/81/38/95/1158813895.db2.gz IPZKEMAKGAZLSG-CVEARBPZSA-N 1 3 293.455 1.424 10 30 CDEEHO C=C(C[NH+](C)C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC001629024028 1166109589 /nfs/dbraw/zinc/10/95/89/1166109589.db2.gz ROESLYWOGPIDAT-UHFFFAOYSA-N 1 3 291.395 1.813 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001691734625 1166821287 /nfs/dbraw/zinc/82/12/87/1166821287.db2.gz MWHBCFABSLRNAZ-GASCZTMLSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCCN1CC ZINC001568969948 1169568430 /nfs/dbraw/zinc/56/84/30/1169568430.db2.gz RFTAGBRVXWPSFY-ZPIQOJFGSA-N 1 3 279.428 1.699 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001569305955 1169757678 /nfs/dbraw/zinc/75/76/78/1169757678.db2.gz DPPBBVNTTVKLML-HZPDHXFCSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001570182063 1170105503 /nfs/dbraw/zinc/10/55/03/1170105503.db2.gz WABAVKIMHYSTPC-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO 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C=CC[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001714237056 1179037495 /nfs/dbraw/zinc/03/74/95/1179037495.db2.gz VKSSKIBSAFHARV-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001714278871 1179062417 /nfs/dbraw/zinc/06/24/17/1179062417.db2.gz PJJQXOWXQZTGCH-GJZGRUSLSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CCC[N@@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001714667123 1179312882 /nfs/dbraw/zinc/31/28/82/1179312882.db2.gz WMBOPBVNHNUXOI-UHFFFAOYSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCC[N@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001714667123 1179312887 /nfs/dbraw/zinc/31/28/87/1179312887.db2.gz WMBOPBVNHNUXOI-UHFFFAOYSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCN1CCC ZINC001715059943 1179534880 /nfs/dbraw/zinc/53/48/80/1179534880.db2.gz LNEMPSUCZFHIAO-GJZGRUSLSA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001716179692 1180085218 /nfs/dbraw/zinc/08/52/18/1180085218.db2.gz ZBSZXXKEIBNXJJ-HZPDHXFCSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001716496631 1180252595 /nfs/dbraw/zinc/25/25/95/1180252595.db2.gz ZMMNFJTZQHJJKH-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001716496631 1180252597 /nfs/dbraw/zinc/25/25/97/1180252597.db2.gz ZMMNFJTZQHJJKH-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001716520326 1180265025 /nfs/dbraw/zinc/26/50/25/1180265025.db2.gz KUVNNLMHZIBHIO-LSDHHAIUSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CCN1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001716724792 1180383942 /nfs/dbraw/zinc/38/39/42/1180383942.db2.gz NLCBMLQHLHMPMZ-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001716974204 1180486604 /nfs/dbraw/zinc/48/66/04/1180486604.db2.gz XGEAEKZMTJISEW-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]2C1 ZINC001717010395 1180501771 /nfs/dbraw/zinc/50/17/71/1180501771.db2.gz BGAKXLOIHQPPNY-QLFBSQMISA-N 1 3 297.418 1.243 10 30 CDEEHO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]2C1 ZINC001717010395 1180501776 /nfs/dbraw/zinc/50/17/76/1180501776.db2.gz BGAKXLOIHQPPNY-QLFBSQMISA-N 1 3 297.418 1.243 10 30 CDEEHO C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001717445057 1180676059 /nfs/dbraw/zinc/67/60/59/1180676059.db2.gz LKDSARXASNDSKQ-UYSNPLJNSA-N 1 3 291.439 1.463 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001717741489 1180820896 /nfs/dbraw/zinc/82/08/96/1180820896.db2.gz SITXALBVEWZONC-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO C#CC[NH+]1CCC(C2(NC(=O)CN(C)C(C)C)CC2)CC1 ZINC001718004256 1180965965 /nfs/dbraw/zinc/96/59/65/1180965965.db2.gz KDKBDQOBUOYPQL-UHFFFAOYSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CCN1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001725242508 1181935182 /nfs/dbraw/zinc/93/51/82/1181935182.db2.gz ONKATWGNGPXASK-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001732319019 1182904232 /nfs/dbraw/zinc/90/42/32/1182904232.db2.gz FNTWKIOJCLMBJT-INIZCTEOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000876771545 730606567 /nfs/dbraw/zinc/60/65/67/730606567.db2.gz UELZZJJUSCNCCX-OLZOCXBDSA-N 1 3 285.819 1.401 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000876787848 730996848 /nfs/dbraw/zinc/99/68/48/730996848.db2.gz WUVRMRBFOZPCOR-AVGNSLFASA-N 1 3 285.819 1.447 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000876750903 731381049 /nfs/dbraw/zinc/38/10/49/731381049.db2.gz YWNGOMPIVVCPGA-NSHDSACASA-N 1 3 261.797 1.303 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@H+](CC)C(C)C ZINC000876750903 731381053 /nfs/dbraw/zinc/38/10/53/731381053.db2.gz YWNGOMPIVVCPGA-NSHDSACASA-N 1 3 261.797 1.303 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000876728264 731447828 /nfs/dbraw/zinc/44/78/28/731447828.db2.gz 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C=CCN1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001486184102 920787926 /nfs/dbraw/zinc/78/79/26/920787926.db2.gz QGSVEOYHVIQWRJ-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN1CCC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001486184102 920787932 /nfs/dbraw/zinc/78/79/32/920787932.db2.gz QGSVEOYHVIQWRJ-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001273553864 920870069 /nfs/dbraw/zinc/87/00/69/920870069.db2.gz ISDUFCOTYXKDRW-UHFFFAOYSA-N 1 3 279.428 1.132 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001486399731 920963999 /nfs/dbraw/zinc/96/39/99/920963999.db2.gz WZENMEPBFHGVJF-HNNXBMFYSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001275160331 931683683 /nfs/dbraw/zinc/68/36/83/931683683.db2.gz LTSZNICFFWJJGI-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001275160331 931683687 /nfs/dbraw/zinc/68/36/87/931683687.db2.gz LTSZNICFFWJJGI-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CN(C)CCC ZINC001275732247 931984119 /nfs/dbraw/zinc/98/41/19/931984119.db2.gz DIVLHIXREXZOCA-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001281928082 942632474 /nfs/dbraw/zinc/63/24/74/942632474.db2.gz IXCQPEUHDYMRCU-HUUCEWRRSA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001281928082 942632476 /nfs/dbraw/zinc/63/24/76/942632476.db2.gz IXCQPEUHDYMRCU-HUUCEWRRSA-N 1 3 277.412 1.027 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001281967574 942638258 /nfs/dbraw/zinc/63/82/58/942638258.db2.gz ITBXGGMNKIVNBI-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001281967574 942638263 /nfs/dbraw/zinc/63/82/63/942638263.db2.gz ITBXGGMNKIVNBI-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001284818983 943262368 /nfs/dbraw/zinc/26/23/68/943262368.db2.gz PTFCTILFNKQIGL-UHFFFAOYSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCOCC[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001474642700 971025669 /nfs/dbraw/zinc/02/56/69/971025669.db2.gz QVXMWZYUWPWCAV-UHFFFAOYSA-N 1 3 282.428 1.812 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001263849387 944002646 /nfs/dbraw/zinc/00/26/46/944002646.db2.gz HORMVHLWEWYOSP-HZSPNIEDSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCN(C)CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001265070109 944220898 /nfs/dbraw/zinc/22/08/98/944220898.db2.gz RHXJXRLXWFVJSH-UHFFFAOYSA-N 1 3 279.428 1.324 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001265089816 944225490 /nfs/dbraw/zinc/22/54/90/944225490.db2.gz RVNKGCRHJWDAPH-GXTWGEPZSA-N 1 3 276.384 1.497 10 30 CDEEHO C=CC[NH+]1CCC(C)(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001324867818 953613413 /nfs/dbraw/zinc/61/34/13/953613413.db2.gz FQRDJTRRLDQNIG-UHFFFAOYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001327276671 954809578 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ZINC001317493381 957511446 /nfs/dbraw/zinc/51/14/46/957511446.db2.gz XPEWNYKPAGMROU-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001317511765 957520126 /nfs/dbraw/zinc/52/01/26/957520126.db2.gz DAWKZHMGQGNCTM-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001317511765 957520131 /nfs/dbraw/zinc/52/01/31/957520131.db2.gz DAWKZHMGQGNCTM-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001317861961 957697545 /nfs/dbraw/zinc/69/75/45/957697545.db2.gz FSXKCUYDCQXNLO-OAHLLOKOSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001317861961 957697553 /nfs/dbraw/zinc/69/75/53/957697553.db2.gz FSXKCUYDCQXNLO-OAHLLOKOSA-N 1 3 279.428 1.130 10 30 CDEEHO CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCCN1CC ZINC001321418749 959775655 /nfs/dbraw/zinc/77/56/55/959775655.db2.gz IMAVBWURRKUXRS-KIUWMYQTSA-N 1 3 277.412 1.146 10 30 CDEEHO 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/nfs/dbraw/zinc/74/66/47/1172746647.db2.gz VBBYNVRJPTWNQA-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001664760502 1172904197 /nfs/dbraw/zinc/90/41/97/1172904197.db2.gz UHTCFDCLDBIIFU-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662694944 413326338 /nfs/dbraw/zinc/32/63/38/413326338.db2.gz FAOVEBTXLQPOPD-YQQAZPJKSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001665787789 1173060693 /nfs/dbraw/zinc/06/06/93/1173060693.db2.gz JSZJYRSUZIZXEE-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CC[C@@]1(C(=O)NCCN2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662679664 424301035 /nfs/dbraw/zinc/30/10/35/424301035.db2.gz ATIZIHDANCNQBD-HOCLYGCPSA-N 1 3 279.428 1.675 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001667664294 1173306681 /nfs/dbraw/zinc/30/66/81/1173306681.db2.gz NIEQPDPJTHSVDE-UHFFFAOYSA-N 1 3 267.417 1.439 10 30 CDEEHO C=C(C)CC[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001667664294 1173306690 /nfs/dbraw/zinc/30/66/90/1173306690.db2.gz NIEQPDPJTHSVDE-UHFFFAOYSA-N 1 3 267.417 1.439 10 30 CDEEHO C=CCC[NH2+]CC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001668289766 1173393383 /nfs/dbraw/zinc/39/33/83/1173393383.db2.gz WNFQUCHVVDXCJN-NSHDSACASA-N 1 3 264.373 1.321 10 30 CDEEHO N#Cc1ccc(OCCN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566482066 316611728 /nfs/dbraw/zinc/61/17/28/316611728.db2.gz MGAFBPAWRLKLRQ-UONOGXRCSA-N 1 3 259.353 1.797 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672208950 1173752542 /nfs/dbraw/zinc/75/25/42/1173752542.db2.gz JZBMPGSMZVKHLD-LSDHHAIUSA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672531405 1173781942 /nfs/dbraw/zinc/78/19/42/1173781942.db2.gz UQWSKVOLXQADNL-GJZGRUSLSA-N 1 3 277.412 1.027 10 30 CDEEHO C[C@H](N(C)CC#CC[N@H+](C)[C@@H](C)C(C)(C)O)C(C)(C)O ZINC000451365987 331025845 /nfs/dbraw/zinc/02/58/45/331025845.db2.gz GCFREDBHQDZBQL-KBPBESRZSA-N 1 3 284.444 1.172 10 30 CDEEHO C[C@H](N(C)CC#CC[N@@H+](C)[C@@H](C)C(C)(C)O)C(C)(C)O ZINC000451365987 331025846 /nfs/dbraw/zinc/02/58/46/331025846.db2.gz GCFREDBHQDZBQL-KBPBESRZSA-N 1 3 284.444 1.172 10 30 CDEEHO C=CC[NH2+]C[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001732366243 1159785898 /nfs/dbraw/zinc/78/58/98/1159785898.db2.gz VWLTTXKTTPSLBB-GJZGRUSLSA-N 1 3 281.444 1.779 10 30 CDEEHO C=CC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001279156260 1160768731 /nfs/dbraw/zinc/76/87/31/1160768731.db2.gz NOQPCHVFUJANSB-CABCVRRESA-N 1 3 293.455 1.731 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](CCNC(=O)CN(C)CCC)C1 ZINC001713737457 1178730634 /nfs/dbraw/zinc/73/06/34/1178730634.db2.gz GMWFWFIJWHHPNR-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CN(C)CCC)C1 ZINC001713737457 1178730638 /nfs/dbraw/zinc/73/06/38/1178730638.db2.gz GMWFWFIJWHHPNR-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO CCN(Cc1cc(C#CC[NH3+])ccc1OC)C1CC1 ZINC000049608876 521286112 /nfs/dbraw/zinc/28/61/12/521286112.db2.gz JXSYDCQFHYPVCV-UHFFFAOYSA-N 1 3 258.365 1.990 10 30 CDEEHO COc1ccc(CN(C)C[C@H]2CCCO2)cc1C#CC[NH3+] ZINC000049609680 524003697 /nfs/dbraw/zinc/00/36/97/524003697.db2.gz ZPIZRZXSJWIQQO-MRXNPFEDSA-N 1 3 288.391 1.616 10 30 CDEEHO COc1ccc(CN2CCCC[C@@H]2CO)cc1C#CC[NH3+] ZINC000049609783 524026118 /nfs/dbraw/zinc/02/61/18/524026118.db2.gz NXAFKHWBAGNTIH-MRXNPFEDSA-N 1 3 288.391 1.352 10 30 CDEEHO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C#CCN)cc1 ZINC000049561920 524161798 /nfs/dbraw/zinc/16/17/98/524161798.db2.gz ROCHFPPVASWPHD-CYBMUJFWSA-N 1 3 273.380 1.067 10 30 CDEEHO NCC#Cc1ccc(OCC[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000049608319 527151431 /nfs/dbraw/zinc/15/14/31/527151431.db2.gz XGWRTDPICNPRBZ-MRXNPFEDSA-N 1 3 288.391 1.080 10 30 CDEEHO NCC#Cc1ccc(OCC[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000049608319 527151436 /nfs/dbraw/zinc/15/14/36/527151436.db2.gz XGWRTDPICNPRBZ-MRXNPFEDSA-N 1 3 288.391 1.080 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000917136338 632160061 /nfs/dbraw/zinc/16/00/61/632160061.db2.gz AJTMCWSCRQZFAI-JSGCOSHPSA-N 1 3 280.416 1.029 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000917136338 632160066 /nfs/dbraw/zinc/16/00/66/632160066.db2.gz AJTMCWSCRQZFAI-JSGCOSHPSA-N 1 3 280.416 1.029 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001670687091 1158691486 /nfs/dbraw/zinc/69/14/86/1158691486.db2.gz OVNLDMNTEBRDFF-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001724858486 1158836958 /nfs/dbraw/zinc/83/69/58/1158836958.db2.gz UXFJOCNFODNAIK-UHFFFAOYSA-N 1 3 293.455 1.520 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001691150292 1158934253 /nfs/dbraw/zinc/93/42/53/1158934253.db2.gz HORMVHLWEWYOSP-MGPQQGTHSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCCC)CC1 ZINC001266993978 1159072227 /nfs/dbraw/zinc/07/22/27/1159072227.db2.gz HFRDWXOKQYASPL-CQSZACIVSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266741280 1158796886 /nfs/dbraw/zinc/79/68/86/1158796886.db2.gz PJXKAGVMEUVPIL-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001266741280 1158796890 /nfs/dbraw/zinc/79/68/90/1158796890.db2.gz PJXKAGVMEUVPIL-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000876879335 1165933631 /nfs/dbraw/zinc/93/36/31/1165933631.db2.gz QHKVUVXEKROVRX-WDEREUQCSA-N 1 3 259.781 1.009 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001570046552 1170063689 /nfs/dbraw/zinc/06/36/89/1170063689.db2.gz CQTXBDONSYAYJQ-KKUMJFAQSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001570517610 1170174147 /nfs/dbraw/zinc/17/41/47/1170174147.db2.gz CAVAVHBLVGJWHX-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001664760502 1172904190 /nfs/dbraw/zinc/90/41/90/1172904190.db2.gz UHTCFDCLDBIIFU-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001665362514 1172986092 /nfs/dbraw/zinc/98/60/92/1172986092.db2.gz CIGRFSAKAKEACO-UHFFFAOYSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001677023090 1174308779 /nfs/dbraw/zinc/30/87/79/1174308779.db2.gz AENGMHFYWHKWJH-AWEZNQCLSA-N 1 3 290.411 1.745 10 30 CDEEHO C=C(C)CC[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001690157063 1175390712 /nfs/dbraw/zinc/39/07/12/1175390712.db2.gz XFDXDUXKUNPGBM-OAHLLOKOSA-N 1 3 293.455 1.921 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001690389206 1175457396 /nfs/dbraw/zinc/45/73/96/1175457396.db2.gz ZMRXYHXHQAIMBC-HZPDHXFCSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC=C)C(C)C)CC1 ZINC001698980858 1176004511 /nfs/dbraw/zinc/00/45/11/1176004511.db2.gz OHUFUZFBRXLJCP-MRXNPFEDSA-N 1 3 291.439 1.248 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001699461317 1176423171 /nfs/dbraw/zinc/42/31/71/1176423171.db2.gz RSVLBQSLHIXJTJ-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001699461317 1176423176 /nfs/dbraw/zinc/42/31/76/1176423176.db2.gz RSVLBQSLHIXJTJ-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001699514240 1176457663 /nfs/dbraw/zinc/45/76/63/1176457663.db2.gz DWNCLHAULVPGRL-AWEZNQCLSA-N 1 3 267.417 1.034 10 30 CDEEHO CC#CC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001700381690 1176886474 /nfs/dbraw/zinc/88/64/74/1176886474.db2.gz LERQWOFMLLTTTA-YMAMQOFZSA-N 1 3 279.428 1.080 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001700642990 1177051651 /nfs/dbraw/zinc/05/16/51/1177051651.db2.gz BIHKRVDKEFWSOZ-KKUMJFAQSA-N 1 3 281.444 1.633 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CC ZINC001707203353 1177969065 /nfs/dbraw/zinc/96/90/65/1177969065.db2.gz FNWXEWLNZRPIRH-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001707446311 1178048674 /nfs/dbraw/zinc/04/86/74/1178048674.db2.gz PAFVGGZBSWZQLL-UKRRQHHQSA-N 1 3 290.411 1.888 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001713488119 1178602504 /nfs/dbraw/zinc/60/25/04/1178602504.db2.gz PDCHIXMJYILBBO-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001713488119 1178602508 /nfs/dbraw/zinc/60/25/08/1178602508.db2.gz PDCHIXMJYILBBO-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)CN(C)C(C)C)C(C)C ZINC001713695526 1178715518 /nfs/dbraw/zinc/71/55/18/1178715518.db2.gz YGKKQXMSISACTI-UHFFFAOYSA-N 1 3 267.417 1.177 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)CN(C)C(C)C)C(C)C ZINC001713695526 1178715521 /nfs/dbraw/zinc/71/55/21/1178715521.db2.gz YGKKQXMSISACTI-UHFFFAOYSA-N 1 3 267.417 1.177 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001714080126 1178963715 /nfs/dbraw/zinc/96/37/15/1178963715.db2.gz SVACSBPGPKURCS-JKSUJKDBSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001714085039 1178966249 /nfs/dbraw/zinc/96/62/49/1178966249.db2.gz NZHDGFUPUZYEAV-CYBMUJFWSA-N 1 3 276.384 1.357 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001714412865 1179129141 /nfs/dbraw/zinc/12/91/41/1179129141.db2.gz SUXJGNHGONKNBC-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001715076550 1179542095 /nfs/dbraw/zinc/54/20/95/1179542095.db2.gz SZUIVDVIUFTWLS-CABCVRRESA-N 1 3 279.428 1.369 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001715539568 1179708722 /nfs/dbraw/zinc/70/87/22/1179708722.db2.gz LNHGGRNRZCMEJI-OKILXGFUSA-N 1 3 267.417 1.435 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001715539568 1179708726 /nfs/dbraw/zinc/70/87/26/1179708726.db2.gz LNHGGRNRZCMEJI-OKILXGFUSA-N 1 3 267.417 1.435 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001715778013 1179801690 /nfs/dbraw/zinc/80/16/90/1179801690.db2.gz PRVWSRFUVSRAAA-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001716179693 1180085450 /nfs/dbraw/zinc/08/54/50/1180085450.db2.gz ZBSZXXKEIBNXJJ-JKSUJKDBSA-N 1 3 293.455 1.757 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001717561800 1180741583 /nfs/dbraw/zinc/74/15/83/1180741583.db2.gz SVAGBHNHQBYDLP-ZDUSSCGKSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001717561800 1180741587 /nfs/dbraw/zinc/74/15/87/1180741587.db2.gz SVAGBHNHQBYDLP-ZDUSSCGKSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCCC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001723520988 1181582740 /nfs/dbraw/zinc/58/27/40/1181582740.db2.gz FMDAYCGWZBYDMP-UHFFFAOYSA-N 1 3 279.428 1.675 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC(=C)C)CC1 ZINC001725198316 1181920106 /nfs/dbraw/zinc/92/01/06/1181920106.db2.gz XKKRJVSSEURBDI-OAHLLOKOSA-N 1 3 291.439 1.344 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC(=C)C)CC1 ZINC001725198316 1181920111 /nfs/dbraw/zinc/92/01/11/1181920111.db2.gz XKKRJVSSEURBDI-OAHLLOKOSA-N 1 3 291.439 1.344 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001733650740 1183489764 /nfs/dbraw/zinc/48/97/64/1183489764.db2.gz DBSTXHQCKXEACN-GJZGRUSLSA-N 1 3 281.444 1.587 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC000876709304 736274528 /nfs/dbraw/zinc/27/45/28/736274528.db2.gz OIBNQBLBPMZNFW-NSHDSACASA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000876533237 733498367 /nfs/dbraw/zinc/49/83/67/733498367.db2.gz GMQZGRORWOEKGE-INTQDDNPSA-N 1 3 259.781 1.042 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000876536260 733717853 /nfs/dbraw/zinc/71/78/53/733717853.db2.gz AITCNTWDLANJIJ-ZDUSSCGKSA-N 1 3 287.835 1.885 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000876927937 734721324 /nfs/dbraw/zinc/72/13/24/734721324.db2.gz PBLVDOIQCCKXAD-YJQGPUDQSA-N 1 3 273.808 1.288 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000876859868 735145793 /nfs/dbraw/zinc/14/57/93/735145793.db2.gz MRUIQSNKMGREFZ-IHRRRGAJSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000876735793 735186786 /nfs/dbraw/zinc/18/67/86/735186786.db2.gz PVLLQDCNSBLHBA-CYBMUJFWSA-N 1 3 287.835 1.695 10 30 CDEEHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001636836668 1166702335 /nfs/dbraw/zinc/70/23/35/1166702335.db2.gz DIFVIPVZBDFRBE-MQVJKMGUSA-N 1 3 289.423 1.073 10 30 CDEEHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001636836668 1166702340 /nfs/dbraw/zinc/70/23/40/1166702340.db2.gz DIFVIPVZBDFRBE-MQVJKMGUSA-N 1 3 289.423 1.073 10 30 CDEEHO C#CCC[N@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001571048635 1167588465 /nfs/dbraw/zinc/58/84/65/1167588465.db2.gz HJNWECCBDRTWOP-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001571048635 1167588472 /nfs/dbraw/zinc/58/84/72/1167588472.db2.gz HJNWECCBDRTWOP-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001567081985 1168553312 /nfs/dbraw/zinc/55/33/12/1168553312.db2.gz FSMQLLXFBFSYDT-ZDUSSCGKSA-N 1 3 273.380 1.089 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CC[C@@H](C)F)CC1 ZINC001567324318 1168680196 /nfs/dbraw/zinc/68/01/96/1168680196.db2.gz JWMFXJOHSZTHTI-CQSZACIVSA-N 1 3 297.418 1.128 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CC[C@@H](C)F)CC1 ZINC001567324318 1168680198 /nfs/dbraw/zinc/68/01/98/1168680198.db2.gz JWMFXJOHSZTHTI-CQSZACIVSA-N 1 3 297.418 1.128 10 30 CDEEHO CC#CCN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001266964745 896457023 /nfs/dbraw/zinc/45/70/23/896457023.db2.gz NZUYEAOUNKIWQR-CABCVRRESA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CCN[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001266964745 896457031 /nfs/dbraw/zinc/45/70/31/896457031.db2.gz NZUYEAOUNKIWQR-CABCVRRESA-N 1 3 279.428 1.226 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001267145103 896914800 /nfs/dbraw/zinc/91/48/00/896914800.db2.gz NJMYTLZBPSUULX-CABCVRRESA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001272641792 914292759 /nfs/dbraw/zinc/29/27/59/914292759.db2.gz OORIBDQGBDUIKM-MRXNPFEDSA-N 1 3 293.455 1.877 10 30 CDEEHO C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001268003943 900256784 /nfs/dbraw/zinc/25/67/84/900256784.db2.gz BOKBSFYGWLIPBT-LSDHHAIUSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001268160886 901453276 /nfs/dbraw/zinc/45/32/76/901453276.db2.gz BTTPCUOBBRGGNK-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268253065 901674162 /nfs/dbraw/zinc/67/41/62/901674162.db2.gz JXTQFCCIQBLQQS-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001268253065 901674171 /nfs/dbraw/zinc/67/41/71/901674171.db2.gz JXTQFCCIQBLQQS-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001268292060 901764021 /nfs/dbraw/zinc/76/40/21/901764021.db2.gz PEGRVIGRIVZDIK-KBPBESRZSA-N 1 3 288.395 1.158 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001270222549 904455406 /nfs/dbraw/zinc/45/54/06/904455406.db2.gz ZJHBMCITGUQYOY-OAHLLOKOSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001271007029 905543508 /nfs/dbraw/zinc/54/35/08/905543508.db2.gz HGOWUFWFXGCAPD-WBVHZDCISA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001271007029 905543516 /nfs/dbraw/zinc/54/35/16/905543516.db2.gz HGOWUFWFXGCAPD-WBVHZDCISA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCNC/C=C/CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483036285 908744217 /nfs/dbraw/zinc/74/42/17/908744217.db2.gz FIUJEFPRFJRAAS-BQYQJAHWSA-N 1 3 291.439 1.536 10 30 CDEEHO C#CCNC/C=C/CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483036285 908744228 /nfs/dbraw/zinc/74/42/28/908744228.db2.gz FIUJEFPRFJRAAS-BQYQJAHWSA-N 1 3 291.439 1.536 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](CC)N(C)C ZINC001485831580 919484114 /nfs/dbraw/zinc/48/41/14/919484114.db2.gz DQZIWHOHGKTLSQ-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001485837556 920086727 /nfs/dbraw/zinc/08/67/27/920086727.db2.gz PVKWDCXFXIZODK-HOTGVXAUSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001139869558 936654805 /nfs/dbraw/zinc/65/48/05/936654805.db2.gz LIKFRBCYFJTQNP-ZIAGYGMSSA-N 1 3 267.417 1.293 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001139869558 936654806 /nfs/dbraw/zinc/65/48/06/936654806.db2.gz LIKFRBCYFJTQNP-ZIAGYGMSSA-N 1 3 267.417 1.293 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001486399256 920963038 /nfs/dbraw/zinc/96/30/38/920963038.db2.gz RRCFHMIVHUKYEN-CQSZACIVSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C ZINC001568337950 1169252837 /nfs/dbraw/zinc/25/28/37/1169252837.db2.gz OJEXSMWQLSJDHT-GJZGRUSLSA-N 1 3 281.444 1.326 10 30 CDEEHO C=C(C)C[NH2+]C/C=C\CNC(=O)CN(C)CC(C)(C)C ZINC001274367333 931494334 /nfs/dbraw/zinc/49/43/34/931494334.db2.gz AUEIMYMGHCEANT-FPLPWBNLSA-N 1 3 281.444 1.802 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001274460498 931501760 /nfs/dbraw/zinc/50/17/60/931501760.db2.gz VWXJLHCLISWJFX-OAHLLOKOSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001274460498 931501761 /nfs/dbraw/zinc/50/17/61/931501761.db2.gz VWXJLHCLISWJFX-OAHLLOKOSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001120504660 937804831 /nfs/dbraw/zinc/80/48/31/937804831.db2.gz UAKPPQOMLMTDKK-QLFBSQMISA-N 1 3 292.427 1.219 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001122103022 937905350 /nfs/dbraw/zinc/90/53/50/937905350.db2.gz RZYQXAJOVLENTI-OLZOCXBDSA-N 1 3 267.417 1.564 10 30 CDEEHO CC#CC[C@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001206499692 940050015 /nfs/dbraw/zinc/05/00/15/940050015.db2.gz ZWKPORMXEUQWAH-AQFXKWCLSA-N 1 3 294.439 1.384 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](F)CN(CC)CC ZINC001281939420 942633743 /nfs/dbraw/zinc/63/37/43/942633743.db2.gz FZAHHTPESDIHCD-HUUCEWRRSA-N 1 3 299.434 1.775 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](F)CN(CC)CC ZINC001281939420 942633744 /nfs/dbraw/zinc/63/37/44/942633744.db2.gz FZAHHTPESDIHCD-HUUCEWRRSA-N 1 3 299.434 1.775 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001282478462 942720396 /nfs/dbraw/zinc/72/03/96/942720396.db2.gz RBIJTYIZXQNHRV-CHWSQXEVSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001282478462 942720400 /nfs/dbraw/zinc/72/04/00/942720400.db2.gz RBIJTYIZXQNHRV-CHWSQXEVSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001284132860 943086056 /nfs/dbraw/zinc/08/60/56/943086056.db2.gz SGBFGHBPPRFGAV-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001277736175 943438159 /nfs/dbraw/zinc/43/81/59/943438159.db2.gz XMTWWVNIFBLJPI-OAHLLOKOSA-N 1 3 279.428 1.177 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001263872302 944014758 /nfs/dbraw/zinc/01/47/58/944014758.db2.gz HIOKBIZJTNBYKR-RBSFLKMASA-N 1 3 279.428 1.389 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001265174760 944259244 /nfs/dbraw/zinc/25/92/44/944259244.db2.gz JDEZJTVQCBSKRF-MRXNPFEDSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001265174760 944259249 /nfs/dbraw/zinc/25/92/49/944259249.db2.gz JDEZJTVQCBSKRF-MRXNPFEDSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001265494946 944408793 /nfs/dbraw/zinc/40/87/93/944408793.db2.gz WYKRJRMTMOHXKV-MGPQQGTHSA-N 1 3 267.417 1.386 10 30 CDEEHO CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001279155439 944781486 /nfs/dbraw/zinc/78/14/86/944781486.db2.gz BQKGPGPMADNAOW-HOCLYGCPSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[NH+]1CCC(N(C)C(=O)CN(C)CCC)CC1 ZINC001479895677 971473788 /nfs/dbraw/zinc/47/37/88/971473788.db2.gz NZDCZWJWMDLOIJ-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001325597783 953979599 /nfs/dbraw/zinc/97/95/99/953979599.db2.gz GDMJDZJTSCFKBI-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H](CC)N(C)C ZINC001327263702 954797035 /nfs/dbraw/zinc/79/70/35/954797035.db2.gz GOCIJNPGGIBSKZ-AWEZNQCLSA-N 1 3 267.417 1.130 10 30 CDEEHO CC#CC[N@H+](C)CCCN(C)C(=O)[C@H](CC)N(C)C ZINC001327263702 954797044 /nfs/dbraw/zinc/79/70/44/954797044.db2.gz GOCIJNPGGIBSKZ-AWEZNQCLSA-N 1 3 267.417 1.130 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001328258292 955243769 /nfs/dbraw/zinc/24/37/69/955243769.db2.gz OKYAJYGRGPGVDD-CABCVRRESA-N 1 3 291.439 1.463 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001328258292 955243778 /nfs/dbraw/zinc/24/37/78/955243778.db2.gz OKYAJYGRGPGVDD-CABCVRRESA-N 1 3 291.439 1.463 10 30 CDEEHO C=CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001493860510 972129473 /nfs/dbraw/zinc/12/94/73/972129473.db2.gz HMNCRKRIKAOTKV-UHFFFAOYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001493860510 972129479 /nfs/dbraw/zinc/12/94/79/972129479.db2.gz HMNCRKRIKAOTKV-UHFFFAOYSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001329335406 955833331 /nfs/dbraw/zinc/83/33/31/955833331.db2.gz NGDCROAKEBFCMN-CQSZACIVSA-N 1 3 281.444 1.280 10 30 CDEEHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001330361028 956396236 /nfs/dbraw/zinc/39/62/36/956396236.db2.gz WISMWHIGLFOMJY-ZSOGYDGISA-N 1 3 288.395 1.131 10 30 CDEEHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001330361028 956396249 /nfs/dbraw/zinc/39/62/49/956396249.db2.gz WISMWHIGLFOMJY-ZSOGYDGISA-N 1 3 288.395 1.131 10 30 CDEEHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001480727144 956646665 /nfs/dbraw/zinc/64/66/65/956646665.db2.gz QMANETAAXXJDHN-CABCVRRESA-N 1 3 299.434 1.775 10 30 CDEEHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001480727144 956646673 /nfs/dbraw/zinc/64/66/73/956646673.db2.gz QMANETAAXXJDHN-CABCVRRESA-N 1 3 299.434 1.775 10 30 CDEEHO C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001317011975 956926469 /nfs/dbraw/zinc/92/64/69/956926469.db2.gz FSSOKVGEQPLEHI-JKSUJKDBSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001494593317 972264508 /nfs/dbraw/zinc/26/45/08/972264508.db2.gz KIXRNMUUNQBDSE-UHFFFAOYSA-N 1 3 295.471 1.979 10 30 CDEEHO CC#CC[NH2+]C[C@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001318698714 958236089 /nfs/dbraw/zinc/23/60/89/958236089.db2.gz OTOJOGWMHQMPOZ-KRWDZBQOSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001336004692 960146957 /nfs/dbraw/zinc/14/69/57/960146957.db2.gz VRKHTYOPSDYPJE-ZIAGYGMSSA-N 1 3 294.443 1.263 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001341769661 963537502 /nfs/dbraw/zinc/53/75/02/963537502.db2.gz YKAWPMOZQWCXTP-ZFWWWQNUSA-N 1 3 265.401 1.272 10 30 CDEEHO C=CC[C@@]1(C(=O)Nc2cccc3c2CNC3)CCC[NH2+]1 ZINC001342397720 963731651 /nfs/dbraw/zinc/73/16/51/963731651.db2.gz KWYJUTXUSGQNBR-INIZCTEOSA-N 1 3 271.364 1.927 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C ZINC001342556285 963760473 /nfs/dbraw/zinc/76/04/73/963760473.db2.gz RRPIBPZVSATWFD-YTWAJWBKSA-N 1 3 259.781 1.054 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441376743 964484504 /nfs/dbraw/zinc/48/45/04/964484504.db2.gz DUZHLLHPYSUUSI-IHRRRGAJSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001441376743 964484508 /nfs/dbraw/zinc/48/45/08/964484508.db2.gz DUZHLLHPYSUUSI-IHRRRGAJSA-N 1 3 299.846 1.565 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@@H](C)CC[NH+](C)C ZINC001556467076 965046367 /nfs/dbraw/zinc/04/63/67/965046367.db2.gz YOACAKKWBJIMMV-AWEZNQCLSA-N 1 3 269.433 1.541 10 30 CDEEHO CC#CCN1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569479334 1169892232 /nfs/dbraw/zinc/89/22/32/1169892232.db2.gz UNHYJCXFEOVJFE-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO C=C(C)CN1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569650735 1169953006 /nfs/dbraw/zinc/95/30/06/1169953006.db2.gz HBEDEQCZJUGZTP-INIZCTEOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)CCC ZINC001499943973 974341895 /nfs/dbraw/zinc/34/18/95/974341895.db2.gz JHUQBCHYXGDPLD-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001501149678 974541845 /nfs/dbraw/zinc/54/18/45/974541845.db2.gz FSCHHKVHWXGFEK-GJZGRUSLSA-N 1 3 279.428 1.036 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001507419670 975462248 /nfs/dbraw/zinc/46/22/48/975462248.db2.gz WPEDSBCKWZBRPK-KGLIPLIRSA-N 1 3 288.395 1.158 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001399246239 976396429 /nfs/dbraw/zinc/39/64/29/976396429.db2.gz INECLZLWAIILMJ-OLZOCXBDSA-N 1 3 285.819 1.271 10 30 CDEEHO CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001570201278 1170111263 /nfs/dbraw/zinc/11/12/63/1170111263.db2.gz WSXUNGWCQJWTPL-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001570201278 1170111267 /nfs/dbraw/zinc/11/12/67/1170111267.db2.gz WSXUNGWCQJWTPL-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C[C@@H]1C[C@H](C)N(C(=O)[C@H](N)CCCCC#N)C[C@H]1C[NH3+] ZINC000594449562 342909518 /nfs/dbraw/zinc/90/95/18/342909518.db2.gz KIAGZCIKNUYQHZ-XJFOESAGSA-N 1 3 280.416 1.229 10 30 CDEEHO C[C@@H]1CC2(CN1C(=O)[C@@H](N)CCCCC#N)CC[NH2+]CC2 ZINC000594450278 342909786 /nfs/dbraw/zinc/90/97/86/342909786.db2.gz WPWWPBKQNHIRLP-KGLIPLIRSA-N 1 3 292.427 1.388 10 30 CDEEHO N#CCCC[C@H](N)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595936582 343201729 /nfs/dbraw/zinc/20/17/29/343201729.db2.gz OHHLCDXCJAFNLE-CABCVRRESA-N 1 3 292.427 1.246 10 30 CDEEHO CCC1([NH+](C)C)CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000602600390 344504888 /nfs/dbraw/zinc/50/48/88/344504888.db2.gz FZOXRYTUVXQBMY-ZDUSSCGKSA-N 1 3 280.416 1.340 10 30 CDEEHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000528408262 367830268 /nfs/dbraw/zinc/83/02/68/367830268.db2.gz SSIBXYVREXJESR-QLFBSQMISA-N 1 3 277.412 1.457 10 30 CDEEHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000528408262 367830273 /nfs/dbraw/zinc/83/02/73/367830273.db2.gz SSIBXYVREXJESR-QLFBSQMISA-N 1 3 277.412 1.457 10 30 CDEEHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000528408262 367830277 /nfs/dbraw/zinc/83/02/77/367830277.db2.gz SSIBXYVREXJESR-QLFBSQMISA-N 1 3 277.412 1.457 10 30 CDEEHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000528408262 367830281 /nfs/dbraw/zinc/83/02/81/367830281.db2.gz SSIBXYVREXJESR-QLFBSQMISA-N 1 3 277.412 1.457 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662336479 412905802 /nfs/dbraw/zinc/90/58/02/412905802.db2.gz DLPVPFOCNIWFPD-AWEZNQCLSA-N 1 3 289.427 1.575 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662336479 412905810 /nfs/dbraw/zinc/90/58/10/412905810.db2.gz DLPVPFOCNIWFPD-AWEZNQCLSA-N 1 3 289.427 1.575 10 30 CDEEHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000358594744 157968767 /nfs/dbraw/zinc/96/87/67/157968767.db2.gz TWPJHBAYRATECE-LBPRGKRZSA-N 1 3 291.370 1.805 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@H]2CCCCN2CC)CCC[NH2+]1 ZINC000662717099 413372058 /nfs/dbraw/zinc/37/20/58/413372058.db2.gz XEEAFSCDABFTCW-ZBFHGGJFSA-N 1 3 279.428 1.675 10 30 CDEEHO C=CC[C@]1(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CCC[NH2+]1 ZINC000662743908 413417225 /nfs/dbraw/zinc/41/72/25/413417225.db2.gz APTMYGDDHVWUEC-OFQRWUPVSA-N 1 3 279.428 1.626 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]C(C)C)CC1 ZINC001666673834 1173169186 /nfs/dbraw/zinc/16/91/86/1173169186.db2.gz XACYDRVWBLPQAK-CQSZACIVSA-N 1 3 279.428 1.082 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653117871 424302211 /nfs/dbraw/zinc/30/22/11/424302211.db2.gz XXMCLRLGBIFQLW-LSDHHAIUSA-N 1 3 277.412 1.284 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001667634030 1173301994 /nfs/dbraw/zinc/30/19/94/1173301994.db2.gz FCNQXLMWDVVZKV-HUUCEWRRSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001667634030 1173302002 /nfs/dbraw/zinc/30/20/02/1173302002.db2.gz FCNQXLMWDVVZKV-HUUCEWRRSA-N 1 3 279.428 1.580 10 30 CDEEHO COC[C@H](CCC[NH3+])N[C@H](C)c1ccc(C#N)cc1 ZINC000234695886 293097752 /nfs/dbraw/zinc/09/77/52/293097752.db2.gz DYWUZHFVTMUVQH-DOMZBBRYSA-N 1 3 261.369 1.963 10 30 CDEEHO C=CC[NH2+]CCCN(C)C(=O)CN(C)C1CCC1 ZINC001670127626 1173656243 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C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001713936281 1178865157 /nfs/dbraw/zinc/86/51/57/1178865157.db2.gz VEIPXACYUFFGIO-KBPBESRZSA-N 1 3 265.401 1.189 10 30 CDEEHO C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001714108238 1178976147 /nfs/dbraw/zinc/97/61/47/1178976147.db2.gz WJEOVOZUYGHLJC-HUUCEWRRSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CC[NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001714190994 1179007542 /nfs/dbraw/zinc/00/75/42/1179007542.db2.gz SZTKLDFJPNKQFX-UHFFFAOYSA-N 1 3 277.412 1.121 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001714235571 1179037738 /nfs/dbraw/zinc/03/77/38/1179037738.db2.gz KUABUCLPPWMING-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001715141213 1179563557 /nfs/dbraw/zinc/56/35/57/1179563557.db2.gz WMLKIBAOOJYZEC-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)CCC ZINC001716072786 1180031044 /nfs/dbraw/zinc/03/10/44/1180031044.db2.gz 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C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000876772715 737084734 /nfs/dbraw/zinc/08/47/34/737084734.db2.gz RLMJXNMEWLZCBK-WDEREUQCSA-N 1 3 275.824 1.549 10 30 CDEEHO C#Cc1cccnc1NCC[N@@H+](C)CCCN(C)C ZINC000853799190 737624647 /nfs/dbraw/zinc/62/46/47/737624647.db2.gz YGJMVERGGOJDND-UHFFFAOYSA-N 1 3 260.385 1.358 10 30 CDEEHO C#Cc1cccnc1NCC[N@H+](C)CCCN(C)C ZINC000853799190 737624648 /nfs/dbraw/zinc/62/46/48/737624648.db2.gz YGJMVERGGOJDND-UHFFFAOYSA-N 1 3 260.385 1.358 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000876708510 737921727 /nfs/dbraw/zinc/92/17/27/737921727.db2.gz SDBQSZNLLLLHJD-ZIAGYGMSSA-N 1 3 295.814 1.875 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000876504353 738782785 /nfs/dbraw/zinc/78/27/85/738782785.db2.gz XHYVQTIYLGJKMT-NSHDSACASA-N 1 3 253.733 1.554 10 30 CDEEHO C=CCN(CC=C)C(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923505059 737761406 /nfs/dbraw/zinc/76/14/06/737761406.db2.gz XFDGAFXHXUVBLF-ZIAGYGMSSA-N 1 3 265.401 1.104 10 30 CDEEHO C=CCN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762041 737861153 /nfs/dbraw/zinc/86/11/53/737861153.db2.gz YPMQBCVPKJFOCT-ZDUSSCGKSA-N 1 3 270.421 1.086 10 30 CDEEHO C=CCN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762041 737861154 /nfs/dbraw/zinc/86/11/54/737861154.db2.gz YPMQBCVPKJFOCT-ZDUSSCGKSA-N 1 3 270.421 1.086 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001646839445 1168182606 /nfs/dbraw/zinc/18/26/06/1168182606.db2.gz UOAHBNNBPSQXDB-NEPJUHHUSA-N 1 3 275.824 1.693 10 30 CDEEHO C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001267108923 896812942 /nfs/dbraw/zinc/81/29/42/896812942.db2.gz VEJKUAGOURHAJU-LSDHHAIUSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001267108923 896812953 /nfs/dbraw/zinc/81/29/53/896812953.db2.gz VEJKUAGOURHAJU-LSDHHAIUSA-N 1 3 281.444 1.826 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001267233362 897248008 /nfs/dbraw/zinc/24/80/08/897248008.db2.gz SMSFQAPRPMYLHZ-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267597050 898659249 /nfs/dbraw/zinc/65/92/49/898659249.db2.gz RWODMNGNDVFXJM-HNNXBMFYSA-N 1 3 279.428 1.439 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267597050 898659252 /nfs/dbraw/zinc/65/92/52/898659252.db2.gz RWODMNGNDVFXJM-HNNXBMFYSA-N 1 3 279.428 1.439 10 30 CDEEHO C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001267939651 900010539 /nfs/dbraw/zinc/01/05/39/900010539.db2.gz QYHOWUVJVRXRNG-MRXNPFEDSA-N 1 3 287.407 1.366 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=C)C)CC1 ZINC001282240979 901774463 /nfs/dbraw/zinc/77/44/63/901774463.db2.gz HQUKWYWVXMOCNT-HUUCEWRRSA-N 1 3 291.439 1.391 10 30 CDEEHO CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001270744932 905009970 /nfs/dbraw/zinc/00/99/70/905009970.db2.gz RACZHIDQTVVDCK-ZBFHGGJFSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001482344506 905138511 /nfs/dbraw/zinc/13/85/11/905138511.db2.gz NQTNFJCWSLJJME-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001483420474 911092052 /nfs/dbraw/zinc/09/20/52/911092052.db2.gz LNPHZWYCJINZCU-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001484511997 915833213 /nfs/dbraw/zinc/83/32/13/915833213.db2.gz NMEKKJSRJXBKSQ-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001484620031 915956836 /nfs/dbraw/zinc/95/68/36/915956836.db2.gz IORBSYUFVIHYMR-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[NH2+]CCN(CC)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001273610828 922281676 /nfs/dbraw/zinc/28/16/76/922281676.db2.gz QQUYZVLVZJZRDX-MRXNPFEDSA-N 1 3 299.434 1.823 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001568417428 1169278636 /nfs/dbraw/zinc/27/86/36/1169278636.db2.gz XOIPFOLXISQRQY-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001490708236 927294412 /nfs/dbraw/zinc/29/44/12/927294412.db2.gz AQUZCKKLWSBVNY-DZGCQCFKSA-N 1 3 279.428 1.389 10 30 CDEEHO C=C(C)C[N@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001279696198 942401700 /nfs/dbraw/zinc/40/17/00/942401700.db2.gz UGTILPFPLSLFJV-UHFFFAOYSA-N 1 3 279.428 1.651 10 30 CDEEHO C=C(C)C[N@@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001279696198 942401703 /nfs/dbraw/zinc/40/17/03/942401703.db2.gz UGTILPFPLSLFJV-UHFFFAOYSA-N 1 3 279.428 1.651 10 30 CDEEHO CC#CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001283340293 942880952 /nfs/dbraw/zinc/88/09/52/942880952.db2.gz HTQCRHPNRGWJEY-MRXNPFEDSA-N 1 3 293.455 1.519 10 30 CDEEHO CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001283340293 942880959 /nfs/dbraw/zinc/88/09/59/942880959.db2.gz HTQCRHPNRGWJEY-MRXNPFEDSA-N 1 3 293.455 1.519 10 30 CDEEHO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001277937972 944127141 /nfs/dbraw/zinc/12/71/41/944127141.db2.gz MADSDLJFHCNVNU-CJNGLKHVSA-N 1 3 297.418 1.269 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001265543948 944423703 /nfs/dbraw/zinc/42/37/03/944423703.db2.gz XHTICRDMOGRGFG-BETUJISGSA-N 1 3 265.401 1.284 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001265682774 944468449 /nfs/dbraw/zinc/46/84/49/944468449.db2.gz YESYHEXTCALKGP-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001265895015 944561884 /nfs/dbraw/zinc/56/18/84/944561884.db2.gz BWVJSBJNRILWSC-KBPBESRZSA-N 1 3 265.401 1.237 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001480156511 971605831 /nfs/dbraw/zinc/60/58/31/971605831.db2.gz CNMGSYOJJWRDTO-RBSFLKMASA-N 1 3 279.428 1.531 10 30 CDEEHO CC#CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001278685016 951686912 /nfs/dbraw/zinc/68/69/12/951686912.db2.gz QDENRPRVPLQORE-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CCCC1 ZINC001324497827 953417797 /nfs/dbraw/zinc/41/77/97/953417797.db2.gz OEORFWSAZJRCJC-ZBFHGGJFSA-N 1 3 291.439 1.226 10 30 CDEEHO C#CCC[NH+]1CCC2(CN(C(=O)CN(C)CCC)C2)CC1 ZINC001326603300 954450734 /nfs/dbraw/zinc/45/07/34/954450734.db2.gz KRLPJNNSYHHLBB-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001326835658 954583171 /nfs/dbraw/zinc/58/31/71/954583171.db2.gz WFKAVGRLCFVUOX-UHFFFAOYSA-N 1 3 279.428 1.675 10 30 CDEEHO C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001328050588 955174490 /nfs/dbraw/zinc/17/44/90/955174490.db2.gz OSHWJQVHEKGKIY-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001328915590 955552504 /nfs/dbraw/zinc/55/25/04/955552504.db2.gz OYZFCMZKCDPBNB-UHFFFAOYSA-N 1 3 293.455 1.472 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001425416128 957529880 /nfs/dbraw/zinc/52/98/80/957529880.db2.gz JLXYBBSTBLASDR-AVGNSLFASA-N 1 3 287.835 1.564 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001318169800 957957584 /nfs/dbraw/zinc/95/75/84/957957584.db2.gz UTDKRDOETGGACM-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001318916395 958301009 /nfs/dbraw/zinc/30/10/09/958301009.db2.gz BKONYQSQGJIENY-UHFFFAOYSA-N 1 3 276.384 1.357 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001341633966 963490761 /nfs/dbraw/zinc/49/07/61/963490761.db2.gz LLHPNUGXQVGCJU-QNMSZWNNSA-N 1 3 265.401 1.411 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441365088 964472836 /nfs/dbraw/zinc/47/28/36/964472836.db2.gz LLPRUKSNSVETDJ-JHJVBQTASA-N 1 3 285.819 1.175 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001441365088 964472842 /nfs/dbraw/zinc/47/28/42/964472842.db2.gz LLPRUKSNSVETDJ-JHJVBQTASA-N 1 3 285.819 1.175 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001522169938 970405931 /nfs/dbraw/zinc/40/59/31/970405931.db2.gz CGQAGTWLEXNUOR-VXGBXAGGSA-N 1 3 251.374 1.071 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001499618682 974275568 /nfs/dbraw/zinc/27/55/68/974275568.db2.gz FOBBAQCKMJPFAO-QGZVFWFLSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001499618682 974275571 /nfs/dbraw/zinc/27/55/71/974275571.db2.gz FOBBAQCKMJPFAO-QGZVFWFLSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H](C)C1 ZINC001499845005 974313292 /nfs/dbraw/zinc/31/32/92/974313292.db2.gz TYQGTYCTQWDRGZ-LSDHHAIUSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001502836465 974792481 /nfs/dbraw/zinc/79/24/81/974792481.db2.gz PQAHATQMSYNYDW-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001502836465 974792485 /nfs/dbraw/zinc/79/24/85/974792485.db2.gz PQAHATQMSYNYDW-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001505462310 974887434 /nfs/dbraw/zinc/88/74/34/974887434.db2.gz OKYZHTJRFUHFBP-HNNXBMFYSA-N 1 3 277.412 1.028 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001505462310 974887438 /nfs/dbraw/zinc/88/74/38/974887438.db2.gz OKYZHTJRFUHFBP-HNNXBMFYSA-N 1 3 277.412 1.028 10 30 CDEEHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001506651510 975198009 /nfs/dbraw/zinc/19/80/09/975198009.db2.gz USSSXSKJRICPKG-UKRRQHHQSA-N 1 3 281.444 1.585 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001507451388 975474626 /nfs/dbraw/zinc/47/46/26/975474626.db2.gz QMGWFPILQDENLC-GJZGRUSLSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CCN1CCCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001571044328 1170330437 /nfs/dbraw/zinc/33/04/37/1170330437.db2.gz YBIWIHSMVSYMRL-UHFFFAOYSA-N 1 3 291.439 1.439 10 30 CDEEHO C#CC[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001656222738 1171794986 /nfs/dbraw/zinc/79/49/86/1171794986.db2.gz XRQLSOSMDOEBLN-HDJSIYSDSA-N 1 3 279.428 1.082 10 30 CDEEHO C[NH2+]CCC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594439115 342906809 /nfs/dbraw/zinc/90/68/09/342906809.db2.gz OIVDKFRCSJYCEP-CQSZACIVSA-N 1 3 280.416 1.246 10 30 CDEEHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CCCCC#N ZINC000594441583 342907515 /nfs/dbraw/zinc/90/75/15/342907515.db2.gz SWBRDSATEQSUEW-CABCVRRESA-N 1 3 294.443 1.778 10 30 CDEEHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CCCCC#N ZINC000594441583 342907516 /nfs/dbraw/zinc/90/75/16/342907516.db2.gz SWBRDSATEQSUEW-CABCVRRESA-N 1 3 294.443 1.778 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000594449021 342909394 /nfs/dbraw/zinc/90/93/94/342909394.db2.gz CBVOMYZWGYJCOJ-KBPBESRZSA-N 1 3 286.379 1.314 10 30 CDEEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc(C#N)nc1 ZINC000596359839 343310034 /nfs/dbraw/zinc/31/00/34/343310034.db2.gz GIJWNZCDLGWITN-ZDUSSCGKSA-N 1 3 275.400 1.637 10 30 CDEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc(C#N)nc1 ZINC000596359839 343310036 /nfs/dbraw/zinc/31/00/36/343310036.db2.gz GIJWNZCDLGWITN-ZDUSSCGKSA-N 1 3 275.400 1.637 10 30 CDEEHO CN1CCC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123696283 347659624 /nfs/dbraw/zinc/65/96/24/347659624.db2.gz XWOYZSRLUQOUNF-CQSZACIVSA-N 1 3 283.379 1.637 10 30 CDEEHO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001661073907 1172330765 /nfs/dbraw/zinc/33/07/65/1172330765.db2.gz VBZLQQXYSHLNBZ-LSDHHAIUSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000161302955 377565959 /nfs/dbraw/zinc/56/59/59/377565959.db2.gz SGNRBOMHJDHAGO-HOCLYGCPSA-N 1 3 291.439 1.177 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000161302955 377565965 /nfs/dbraw/zinc/56/59/65/377565965.db2.gz SGNRBOMHJDHAGO-HOCLYGCPSA-N 1 3 291.439 1.177 10 30 CDEEHO C[N@@H+]1CC[C@@]2(CCN(CCCSCC#N)C2)C1 ZINC000368317623 390945336 /nfs/dbraw/zinc/94/53/36/390945336.db2.gz MZZWQHGICWPSKU-CYBMUJFWSA-N 1 3 253.415 1.661 10 30 CDEEHO C[N@H+]1CC[C@@]2(CCN(CCCSCC#N)C2)C1 ZINC000368317623 390945337 /nfs/dbraw/zinc/94/53/37/390945337.db2.gz MZZWQHGICWPSKU-CYBMUJFWSA-N 1 3 253.415 1.661 10 30 CDEEHO CNC(NC[C@H]1CCCN1C1CCCCC1)=[NH+]C ZINC000366837630 391078396 /nfs/dbraw/zinc/07/83/96/391078396.db2.gz XVLWNRASKMTBAO-CYBMUJFWSA-N 1 3 252.406 1.578 10 30 CDEEHO C=C(C)[C@@H](CO)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000649336482 392060501 /nfs/dbraw/zinc/06/05/01/392060501.db2.gz ZDWGPZSVTWPRKV-HUUCEWRRSA-N 1 3 270.417 1.356 10 30 CDEEHO C=C(C)CN(CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001663753460 1172755226 /nfs/dbraw/zinc/75/52/26/1172755226.db2.gz FWROIVRIWFOWHN-UHFFFAOYSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[NH2+]CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001664392067 1172847152 /nfs/dbraw/zinc/84/71/52/1172847152.db2.gz XDGOECUKGKYFPR-UHFFFAOYSA-N 1 3 287.407 1.433 10 30 CDEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001664687163 1172884989 /nfs/dbraw/zinc/88/49/89/1172884989.db2.gz PYQGIRUTADUYQS-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001664687163 1172884995 /nfs/dbraw/zinc/88/49/95/1172884995.db2.gz PYQGIRUTADUYQS-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[NH+]1CC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001666838814 1173189328 /nfs/dbraw/zinc/18/93/28/1173189328.db2.gz UXRAMMKGARVTIO-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001668326705 1173398153 /nfs/dbraw/zinc/39/81/53/1173398153.db2.gz UQNWBRIFLCBWTH-GJZGRUSLSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCCCN1CC ZINC001668652465 1173435501 /nfs/dbraw/zinc/43/55/01/1173435501.db2.gz QFKYWOTWUGJUOJ-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001270913500 1160229164 /nfs/dbraw/zinc/22/91/64/1160229164.db2.gz JXJWMNDNFSOLDF-QWHCGFSZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001714861447 1179424794 /nfs/dbraw/zinc/42/47/94/1179424794.db2.gz HAAZVDKGNNTXPW-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CN1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001725289860 1181954530 /nfs/dbraw/zinc/95/45/30/1181954530.db2.gz MPIJBHGTXUGPDK-ZDUSSCGKSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001725475904 1182014027 /nfs/dbraw/zinc/01/40/27/1182014027.db2.gz WPOLSZAWTTVJFV-CQSZACIVSA-N 1 3 267.417 1.339 10 30 CDEEHO CC#CC[N@H+](CC)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001689956072 1175321099 /nfs/dbraw/zinc/32/10/99/1175321099.db2.gz DORASLWYXHIGQC-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CC[N@@H+](CC)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001689956072 1175321105 /nfs/dbraw/zinc/32/11/05/1175321105.db2.gz DORASLWYXHIGQC-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CC[C@@H](COC)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000862548364 620736953 /nfs/dbraw/zinc/73/69/53/620736953.db2.gz DKLUUYFRCCPJDB-AWEZNQCLSA-N 1 3 252.402 1.877 10 30 CDEEHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCCCCC)[C@H]1C ZINC001725686887 1159265242 /nfs/dbraw/zinc/26/52/42/1159265242.db2.gz WKKGLOCORDLZPD-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCCN1CC ZINC001568969945 1169568608 /nfs/dbraw/zinc/56/86/08/1169568608.db2.gz RFTAGBRVXWPSFY-KIUWMYQTSA-N 1 3 279.428 1.699 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001699738359 1176597961 /nfs/dbraw/zinc/59/79/61/1176597961.db2.gz KYSAMSFVNGONTP-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+]CCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001700675779 1177070024 /nfs/dbraw/zinc/07/00/24/1177070024.db2.gz OKRFNQOHHAXFHC-AWEZNQCLSA-N 1 3 281.444 1.472 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001713134543 1178388059 /nfs/dbraw/zinc/38/80/59/1178388059.db2.gz PECSFTFOQRNQPY-JKSUJKDBSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001713134543 1178388064 /nfs/dbraw/zinc/38/80/64/1178388064.db2.gz PECSFTFOQRNQPY-JKSUJKDBSA-N 1 3 293.455 1.685 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CCCF)CC1 ZINC001713423193 1178552532 /nfs/dbraw/zinc/55/25/32/1178552532.db2.gz KUAKQHCHDBVMOX-CQSZACIVSA-N 1 3 297.418 1.176 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001715466783 1179674663 /nfs/dbraw/zinc/67/46/63/1179674663.db2.gz OBBMNDWYNVSDEN-ZIAGYGMSSA-N 1 3 288.395 1.192 10 30 CDEEHO C=CCC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001715648268 1179752053 /nfs/dbraw/zinc/75/20/53/1179752053.db2.gz ZIVYBZFFUUHCDW-HUUCEWRRSA-N 1 3 281.444 1.635 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001715778015 1179801491 /nfs/dbraw/zinc/80/14/91/1179801491.db2.gz PRVWSRFUVSRAAA-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCNC/C=C\CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001715905133 1179907170 /nfs/dbraw/zinc/90/71/70/1179907170.db2.gz WJINQVVZGAZCON-ARJAWSKDSA-N 1 3 289.423 1.004 10 30 CDEEHO CC#CCNC1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001716696227 1180374744 /nfs/dbraw/zinc/37/47/44/1180374744.db2.gz AYRBEKOVPYPHGJ-UHFFFAOYSA-N 1 3 299.418 1.624 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001717652184 1180775638 /nfs/dbraw/zinc/77/56/38/1180775638.db2.gz HHNBKVCQLIRNQB-VGWMRTNUSA-N 1 3 293.455 1.920 10 30 CDEEHO CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001725451178 1182005570 /nfs/dbraw/zinc/00/55/70/1182005570.db2.gz CWVCBHQETQIZDC-HZPDHXFCSA-N 1 3 293.455 1.759 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001725694326 1182099475 /nfs/dbraw/zinc/09/94/75/1182099475.db2.gz ZCWWLUJXZFKZIQ-JKSUJKDBSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC=C)CCC)CC1 ZINC001731873462 1182641346 /nfs/dbraw/zinc/64/13/46/1182641346.db2.gz IISAGYFSCFBQBI-UHFFFAOYSA-N 1 3 291.439 1.346 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC=C)CCC)CC1 ZINC001731873462 1182641348 /nfs/dbraw/zinc/64/13/48/1182641348.db2.gz IISAGYFSCFBQBI-UHFFFAOYSA-N 1 3 291.439 1.346 10 30 CDEEHO C#CC[NH2+]Cc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001732318067 1182905007 /nfs/dbraw/zinc/90/50/07/1182905007.db2.gz CLCNSJFPJIAHEN-HNNXBMFYSA-N 1 3 299.418 1.367 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001733171192 1183315567 /nfs/dbraw/zinc/31/55/67/1183315567.db2.gz BHVZFXLHTWQCHI-HNNXBMFYSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001733326746 1183398479 /nfs/dbraw/zinc/39/84/79/1183398479.db2.gz HYCNCSQPDKHQRC-ZIAGYGMSSA-N 1 3 290.411 1.888 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001734432613 1183777620 /nfs/dbraw/zinc/77/76/20/1183777620.db2.gz NUQYRHFGPDEMOL-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000876783308 739519115 /nfs/dbraw/zinc/51/91/15/739519115.db2.gz YZMFWHYFEIDHBB-JFUSQASVSA-N 1 3 271.792 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000876783308 739519126 /nfs/dbraw/zinc/51/91/26/739519126.db2.gz YZMFWHYFEIDHBB-JFUSQASVSA-N 1 3 271.792 1.055 10 30 CDEEHO C=CC[C@@H](CO)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925628325 739839212 /nfs/dbraw/zinc/83/92/12/739839212.db2.gz CWBRNHBCVORJPF-MQYQWHSLSA-N 1 3 252.402 1.537 10 30 CDEEHO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000852898529 739235195 /nfs/dbraw/zinc/23/51/95/739235195.db2.gz RXQZTEYLNZGVNU-HZPDHXFCSA-N 1 3 289.423 1.123 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000876762154 739925307 /nfs/dbraw/zinc/92/53/07/739925307.db2.gz AGNJUTGBUPKPMB-ZDUSSCGKSA-N 1 3 287.835 1.695 10 30 CDEEHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)CCC)CC1 ZINC001566694336 1168032659 /nfs/dbraw/zinc/03/26/59/1168032659.db2.gz FGWVFDNNRKUGER-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001566465213 1168289428 /nfs/dbraw/zinc/28/94/28/1168289428.db2.gz KEIUUUPYTJOUDD-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001566465213 1168289435 /nfs/dbraw/zinc/28/94/35/1168289435.db2.gz KEIUUUPYTJOUDD-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001566806970 1168429761 /nfs/dbraw/zinc/42/97/61/1168429761.db2.gz SNDDMIBYOWQFNG-BZUAXINKSA-N 1 3 291.439 1.509 10 30 CDEEHO C=C(C)CN1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266325452 894397068 /nfs/dbraw/zinc/39/70/68/894397068.db2.gz NNAPQXYDXVCTGP-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)CN1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266325452 894397088 /nfs/dbraw/zinc/39/70/88/894397088.db2.gz NNAPQXYDXVCTGP-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCCN1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266359458 894559074 /nfs/dbraw/zinc/55/90/74/894559074.db2.gz VXTIEGAABFFVGL-MRXNPFEDSA-N 1 3 291.439 1.466 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001272625135 914207258 /nfs/dbraw/zinc/20/72/58/914207258.db2.gz SDMRSMJFWSVUBF-CVEARBPZSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001267568293 898392886 /nfs/dbraw/zinc/39/28/86/898392886.db2.gz IJCOOBCAOILQRI-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001267568293 898392896 /nfs/dbraw/zinc/39/28/96/898392896.db2.gz IJCOOBCAOILQRI-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267718366 899369635 /nfs/dbraw/zinc/36/96/35/899369635.db2.gz HYKKSCCTYQFKQR-MRXNPFEDSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267718366 899369638 /nfs/dbraw/zinc/36/96/38/899369638.db2.gz HYKKSCCTYQFKQR-MRXNPFEDSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH+]1CCC(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001267947237 900023108 /nfs/dbraw/zinc/02/31/08/900023108.db2.gz NBLHGXWAKDSKFE-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[NH+]1CC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001268047355 900917979 /nfs/dbraw/zinc/91/79/79/900917979.db2.gz AFPBIZKQXXARKY-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH2+]CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268847766 903177725 /nfs/dbraw/zinc/17/77/25/903177725.db2.gz MYSUUSCZIIONHQ-INIZCTEOSA-N 1 3 299.434 1.823 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1CC ZINC001269180538 903511370 /nfs/dbraw/zinc/51/13/70/903511370.db2.gz DUKJAKAAXHVYQD-UKRRQHHQSA-N 1 3 288.395 1.192 10 30 CDEEHO C=CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001270885457 905328415 /nfs/dbraw/zinc/32/84/15/905328415.db2.gz JRIWOXXNBJPXQT-HNNXBMFYSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001482437004 905407701 /nfs/dbraw/zinc/40/77/01/905407701.db2.gz XMUSPKCGXGAJNY-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)C(C)C ZINC001271836528 906880208 /nfs/dbraw/zinc/88/02/08/906880208.db2.gz AZJMYWBZXXRQIS-HZPDHXFCSA-N 1 3 293.455 1.613 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001482602813 907854333 /nfs/dbraw/zinc/85/43/33/907854333.db2.gz HOXDMCXMTZKRFJ-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001482602813 907854348 /nfs/dbraw/zinc/85/43/48/907854348.db2.gz HOXDMCXMTZKRFJ-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482611110 907919463 /nfs/dbraw/zinc/91/94/63/907919463.db2.gz PCMKWCWXHFBTPV-UHFFFAOYSA-N 1 3 279.428 1.581 10 30 CDEEHO C=CCC[NH2+]C/C=C\CNC(=O)CN1CC[C@@H](C)C1 ZINC001483059987 909198380 /nfs/dbraw/zinc/19/83/80/909198380.db2.gz AWCORJRRGWNMEY-GEXIGZQTSA-N 1 3 265.401 1.166 10 30 CDEEHO C=CC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001483060736 909199442 /nfs/dbraw/zinc/19/94/42/909199442.db2.gz OYLRBRBCZJFPCA-MWWKQMNYSA-N 1 3 297.418 1.647 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001483940904 915212992 /nfs/dbraw/zinc/21/29/92/915212992.db2.gz IJFVSBIQUMYDJT-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001649464307 1169264940 /nfs/dbraw/zinc/26/49/40/1169264940.db2.gz QFWAFUKSNASTRF-CABCVRRESA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001275827979 932072949 /nfs/dbraw/zinc/07/29/49/932072949.db2.gz QETCCMBLZHJWQT-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001275827979 932072954 /nfs/dbraw/zinc/07/29/54/932072954.db2.gz QETCCMBLZHJWQT-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001276588565 940392428 /nfs/dbraw/zinc/39/24/28/940392428.db2.gz JJUGTRKHKGSXEC-HZPDHXFCSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001281663258 942604831 /nfs/dbraw/zinc/60/48/31/942604831.db2.gz BRMYCSIZJHKYMR-UONOGXRCSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001281663258 942604836 /nfs/dbraw/zinc/60/48/36/942604836.db2.gz BRMYCSIZJHKYMR-UONOGXRCSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CCC[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001282058176 942651393 /nfs/dbraw/zinc/65/13/93/942651393.db2.gz PABUXPIMRDUVIS-NFOMZHRRSA-N 1 3 279.428 1.389 10 30 CDEEHO C=C(C)CN1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001282717808 942743971 /nfs/dbraw/zinc/74/39/71/942743971.db2.gz UWVKMSOXWJPTDC-GDBMZVCRSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CN1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001282717808 942743973 /nfs/dbraw/zinc/74/39/73/942743973.db2.gz UWVKMSOXWJPTDC-GDBMZVCRSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001264437578 944136791 /nfs/dbraw/zinc/13/67/91/944136791.db2.gz CWLQOARNPVOPLT-RBSFLKMASA-N 1 3 281.444 1.633 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001278088625 944732314 /nfs/dbraw/zinc/73/23/14/944732314.db2.gz XDNHEHYEFMFKBP-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001266186853 944741712 /nfs/dbraw/zinc/74/17/12/944741712.db2.gz JJCZSZAVBFNEOD-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001278325158 946165503 /nfs/dbraw/zinc/16/55/03/946165503.db2.gz HQKHOKOQVMMRPI-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001280993962 947788154 /nfs/dbraw/zinc/78/81/54/947788154.db2.gz AAZAZTCGZPKAMP-AWEZNQCLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001279039736 948632992 /nfs/dbraw/zinc/63/29/92/948632992.db2.gz YQKIJHKEUFQJPK-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001569139440 1169683347 /nfs/dbraw/zinc/68/33/47/1169683347.db2.gz NUDDZOFHMVCHLJ-OLZOCXBDSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001569139440 1169683348 /nfs/dbraw/zinc/68/33/48/1169683348.db2.gz NUDDZOFHMVCHLJ-OLZOCXBDSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001324817659 953588830 /nfs/dbraw/zinc/58/88/30/953588830.db2.gz KUDCOELBVRWXSH-MRXNPFEDSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001493206883 971984363 /nfs/dbraw/zinc/98/43/63/971984363.db2.gz KKJNVVLRVSXRMM-KBPBESRZSA-N 1 3 285.407 1.290 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001493206883 971984369 /nfs/dbraw/zinc/98/43/69/971984369.db2.gz KKJNVVLRVSXRMM-KBPBESRZSA-N 1 3 285.407 1.290 10 30 CDEEHO CC#CCN1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001327164811 954742815 /nfs/dbraw/zinc/74/28/15/954742815.db2.gz WSEKKNHDHKASAP-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CCN1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001327164811 954742825 /nfs/dbraw/zinc/74/28/25/954742825.db2.gz WSEKKNHDHKASAP-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001327474517 954896853 /nfs/dbraw/zinc/89/68/53/954896853.db2.gz LLJKGEYDQYHTGU-HNNXBMFYSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001327969432 955138452 /nfs/dbraw/zinc/13/84/52/955138452.db2.gz HYXQQUIDDSOPBI-CQSZACIVSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001316665889 955287527 /nfs/dbraw/zinc/28/75/27/955287527.db2.gz FXPMIXGUBBKSSE-UONOGXRCSA-N 1 3 288.395 1.158 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001492164893 955662682 /nfs/dbraw/zinc/66/26/82/955662682.db2.gz ITTKHJWYQCPHAF-CVEARBPZSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001492164893 955662691 /nfs/dbraw/zinc/66/26/91/955662691.db2.gz ITTKHJWYQCPHAF-CVEARBPZSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001492303816 955787860 /nfs/dbraw/zinc/78/78/60/955787860.db2.gz PPWSMJXWPVJILA-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001492303816 955787868 /nfs/dbraw/zinc/78/78/68/955787868.db2.gz PPWSMJXWPVJILA-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001317165576 957315717 /nfs/dbraw/zinc/31/57/17/957315717.db2.gz IPNGDRRMYYWRBV-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001317684191 957639039 /nfs/dbraw/zinc/63/90/39/957639039.db2.gz HCQDEPBXGDWTPV-ZDUSSCGKSA-N 1 3 288.395 1.192 10 30 CDEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001317688450 957640226 /nfs/dbraw/zinc/64/02/26/957640226.db2.gz XMRPLKZSLUSLNI-DZGCQCFKSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)CN1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001494909657 972334278 /nfs/dbraw/zinc/33/42/78/972334278.db2.gz HAYGWVICCQCEMO-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001318979908 958329469 /nfs/dbraw/zinc/32/94/69/958329469.db2.gz WXCDJLRUAJZLRJ-HDJSIYSDSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001319508752 958599418 /nfs/dbraw/zinc/59/94/18/958599418.db2.gz CXDJFFQBBPABIP-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NCc1ccccc1C[NH2+]C ZINC001342059894 963622966 /nfs/dbraw/zinc/62/29/66/963622966.db2.gz HZPJSTCOYLKVSR-OAHLLOKOSA-N 1 3 275.396 1.706 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001495957093 972717798 /nfs/dbraw/zinc/71/77/98/972717798.db2.gz AXNSFYZSIOHDDO-CQSZACIVSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001502796861 974786257 /nfs/dbraw/zinc/78/62/57/974786257.db2.gz AMVCXJPRXAUEKE-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001503023144 974809053 /nfs/dbraw/zinc/80/90/53/974809053.db2.gz KVUWIGSHKXPBND-GJZGRUSLSA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001503023144 974809055 /nfs/dbraw/zinc/80/90/55/974809055.db2.gz KVUWIGSHKXPBND-GJZGRUSLSA-N 1 3 279.428 1.319 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001505434237 974876615 /nfs/dbraw/zinc/87/66/15/974876615.db2.gz NHOBAUUEKXTDNZ-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001505434237 974876617 /nfs/dbraw/zinc/87/66/17/974876617.db2.gz NHOBAUUEKXTDNZ-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2CC)C1 ZINC001505537738 974902249 /nfs/dbraw/zinc/90/22/49/974902249.db2.gz KILOHRRGNQAOKB-UYSNPLJNSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001505833665 974998270 /nfs/dbraw/zinc/99/82/70/974998270.db2.gz OENWLSSLBZSVFX-CQSZACIVSA-N 1 3 281.444 1.588 10 30 CDEEHO C=CC[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001570779884 1170279222 /nfs/dbraw/zinc/27/92/22/1170279222.db2.gz WCOLSONHQXDAMN-AWEZNQCLSA-N 1 3 278.400 1.601 10 30 CDEEHO C=CCCC[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001571666073 1170515504 /nfs/dbraw/zinc/51/55/04/1170515504.db2.gz VRPUCNXTICSNMU-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594437101 342898122 /nfs/dbraw/zinc/89/81/22/342898122.db2.gz IAIREWQEHGMXQE-KGLIPLIRSA-N 1 3 280.416 1.340 10 30 CDEEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594437101 342898123 /nfs/dbraw/zinc/89/81/23/342898123.db2.gz IAIREWQEHGMXQE-KGLIPLIRSA-N 1 3 280.416 1.340 10 30 CDEEHO C[NH+](C)CC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594441174 342907359 /nfs/dbraw/zinc/90/73/59/342907359.db2.gz OHAUZFHXXJXUTL-AWEZNQCLSA-N 1 3 280.416 1.198 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000594446392 342908720 /nfs/dbraw/zinc/90/87/20/342908720.db2.gz SGPXHEOJNQGKIQ-OAHLLOKOSA-N 1 3 294.443 1.780 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000594453182 342910677 /nfs/dbraw/zinc/91/06/77/342910677.db2.gz LMJPUVISCGXISZ-CQSZACIVSA-N 1 3 292.358 1.312 10 30 CDEEHO CCC[NH+]1CCC(NC[C@H](O)CC2(C#N)CC2)CC1 ZINC000600714494 342244071 /nfs/dbraw/zinc/24/40/71/342244071.db2.gz NBNSIDGKHDNAMB-CQSZACIVSA-N 1 3 265.401 1.505 10 30 CDEEHO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1=CCN(C)CC1 ZINC000600736638 342244299 /nfs/dbraw/zinc/24/42/99/342244299.db2.gz SLQXRTLFMXWCDL-TZMCWYRMSA-N 1 3 263.385 1.281 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000594425663 342904159 /nfs/dbraw/zinc/90/41/59/342904159.db2.gz LURBPKUNHCUAJV-AWEZNQCLSA-N 1 3 286.379 1.682 10 30 CDEEHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000595935508 343201819 /nfs/dbraw/zinc/20/18/19/343201819.db2.gz DVJIEOGTGQNODT-ZIAGYGMSSA-N 1 3 294.443 1.634 10 30 CDEEHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000595935508 343201821 /nfs/dbraw/zinc/20/18/21/343201821.db2.gz DVJIEOGTGQNODT-ZIAGYGMSSA-N 1 3 294.443 1.634 10 30 CDEEHO CN(C)CCC[N@H+](C)CCNc1cccc(F)c1C#N ZINC000596423739 343311657 /nfs/dbraw/zinc/31/16/57/343311657.db2.gz BALMSZMHAKGUMP-UHFFFAOYSA-N 1 3 278.375 1.993 10 30 CDEEHO CN(C)CCC[N@@H+](C)CCNc1cccc(F)c1C#N ZINC000596423739 343311660 /nfs/dbraw/zinc/31/16/60/343311660.db2.gz BALMSZMHAKGUMP-UHFFFAOYSA-N 1 3 278.375 1.993 10 30 CDEEHO C[NH2+]CCOCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000600708466 349875824 /nfs/dbraw/zinc/87/58/24/349875824.db2.gz CWTMUXDZXXRIPF-INIZCTEOSA-N 1 3 273.380 1.761 10 30 CDEEHO CC(C)C[NH+]1CCC(NC[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600721974 358705721 /nfs/dbraw/zinc/70/57/21/358705721.db2.gz PCJBLCPUGCMICI-HNNXBMFYSA-N 1 3 279.428 1.751 10 30 CDEEHO C=CC[NH+]1CCC(NC(=O)N2CCN3CCC2CC3)CC1 ZINC000334279472 392062171 /nfs/dbraw/zinc/06/21/71/392062171.db2.gz VJAIGBXAGHAABJ-UHFFFAOYSA-N 1 3 292.427 1.126 10 30 CDEEHO CNC(=O)C1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683934 175092192 /nfs/dbraw/zinc/09/21/92/175092192.db2.gz WBAZVYPCRAWHNM-UHFFFAOYSA-N 1 3 291.420 1.016 10 30 CDEEHO NC(=O)CC1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000043684129 175092971 /nfs/dbraw/zinc/09/29/71/175092971.db2.gz AYPJJEWTLSCPJG-UHFFFAOYSA-N 1 3 291.420 1.146 10 30 CDEEHO N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000044531161 175196024 /nfs/dbraw/zinc/19/60/24/175196024.db2.gz PLXVNAAGLYIHEY-ZDUSSCGKSA-N 1 3 286.379 1.558 10 30 CDEEHO C=C(C)C[N@H+](CC)CCNC(=O)CN(C)C(C)C ZINC001731816538 1159346375 /nfs/dbraw/zinc/34/63/75/1159346375.db2.gz NRDUNKALPBZTCV-UHFFFAOYSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)C[N@@H+](CC)CCNC(=O)CN(C)C(C)C ZINC001731816538 1159346383 /nfs/dbraw/zinc/34/63/83/1159346383.db2.gz NRDUNKALPBZTCV-UHFFFAOYSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001732133129 1159738143 /nfs/dbraw/zinc/73/81/43/1159738143.db2.gz DPLFEOACBAJSDO-CQSZACIVSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001731673865 1182513476 /nfs/dbraw/zinc/51/34/76/1182513476.db2.gz WXFGRJZCGWVJAR-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1C#CCN ZINC000049561921 524471695 /nfs/dbraw/zinc/47/16/95/524471695.db2.gz BRKLKGHPTKSNRS-ZDUSSCGKSA-N 1 3 273.380 1.067 10 30 CDEEHO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(C#CCN)c1 ZINC000049561923 524472573 /nfs/dbraw/zinc/47/25/73/524472573.db2.gz PPYDTOZRTVOWTN-ZDUSSCGKSA-N 1 3 273.380 1.067 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000901013849 623803382 /nfs/dbraw/zinc/80/33/82/623803382.db2.gz YLRMVEDUHOMEFE-UHFFFAOYSA-N 1 3 293.411 1.678 10 30 CDEEHO Cc1cc(C#N)cc(C)c1CN(C)CCN1CC[NH2+]CC1 ZINC000903422873 625993934 /nfs/dbraw/zinc/99/39/34/625993934.db2.gz KTAGVMAEWVDFBO-UHFFFAOYSA-N 1 3 286.423 1.512 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001270136931 1160093596 /nfs/dbraw/zinc/09/35/96/1160093596.db2.gz SGTVOSJZRYYBOU-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C ZINC001571637348 1170504959 /nfs/dbraw/zinc/50/49/59/1170504959.db2.gz UNPSJBYINGPWTC-ZIAGYGMSSA-N 1 3 281.444 1.470 10 30 CDEEHO C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001662797240 1172596342 /nfs/dbraw/zinc/59/63/42/1172596342.db2.gz PDUZAHXOCLUJBI-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001664818246 1172917304 /nfs/dbraw/zinc/91/73/04/1172917304.db2.gz RBMHKBRORHNMPD-ZIAGYGMSSA-N 1 3 267.417 1.293 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001664818246 1172917307 /nfs/dbraw/zinc/91/73/07/1172917307.db2.gz RBMHKBRORHNMPD-ZIAGYGMSSA-N 1 3 267.417 1.293 10 30 CDEEHO C#CCC[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001690540557 1175491174 /nfs/dbraw/zinc/49/11/74/1175491174.db2.gz SOECFBCJMXYFTP-FHERZECASA-N 1 3 291.439 1.369 10 30 CDEEHO C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@@H](C)C1 ZINC001692086175 1175675502 /nfs/dbraw/zinc/67/55/02/1175675502.db2.gz OZLPQESBKZHQGI-OAGGEKHMSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001698844738 1175960754 /nfs/dbraw/zinc/96/07/54/1175960754.db2.gz FBJKRUKKELWCOG-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1 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C=CCC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001567708921 1168931269 /nfs/dbraw/zinc/93/12/69/1168931269.db2.gz CWHXBTWTBWLMMW-HZPDHXFCSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001481435590 900658250 /nfs/dbraw/zinc/65/82/50/900658250.db2.gz PTVUBNGRLKWSEM-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001481435590 900658259 /nfs/dbraw/zinc/65/82/59/900658259.db2.gz PTVUBNGRLKWSEM-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001268266656 901702523 /nfs/dbraw/zinc/70/25/23/901702523.db2.gz DOYXSRBLWVOYLR-CVEARBPZSA-N 1 3 291.439 1.273 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001268266656 901702529 /nfs/dbraw/zinc/70/25/29/901702529.db2.gz DOYXSRBLWVOYLR-CVEARBPZSA-N 1 3 291.439 1.273 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001481702175 901838456 /nfs/dbraw/zinc/83/84/56/901838456.db2.gz 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/nfs/dbraw/zinc/85/91/47/936859147.db2.gz LRVCNMRSKKWLHK-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491109665 936859149 /nfs/dbraw/zinc/85/91/49/936859149.db2.gz LRVCNMRSKKWLHK-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001491154867 936865757 /nfs/dbraw/zinc/86/57/57/936865757.db2.gz WZPUGIXWGKFFHL-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC)CC1 ZINC001282497983 942723560 /nfs/dbraw/zinc/72/35/60/942723560.db2.gz UTSSFTNFAIILCH-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC)CC1 ZINC001282497983 942723564 /nfs/dbraw/zinc/72/35/64/942723564.db2.gz UTSSFTNFAIILCH-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001282717812 942744612 /nfs/dbraw/zinc/74/46/12/942744612.db2.gz UWVKMSOXWJPTDC-HOCLYGCPSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001282717812 942744617 /nfs/dbraw/zinc/74/46/17/942744617.db2.gz UWVKMSOXWJPTDC-HOCLYGCPSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001316625637 942877076 /nfs/dbraw/zinc/87/70/76/942877076.db2.gz VYFSFPUKKCNYKA-OAGGEKHMSA-N 1 3 293.455 1.779 10 30 CDEEHO C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)N(C)C ZINC001263993401 944056801 /nfs/dbraw/zinc/05/68/01/944056801.db2.gz DGIDYAKZCJRARJ-QLFBSQMISA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001277954174 944206165 /nfs/dbraw/zinc/20/61/65/944206165.db2.gz NHQHPIMJJDRPEK-HZPDHXFCSA-N 1 3 293.455 1.709 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001265091249 944225939 /nfs/dbraw/zinc/22/59/39/944225939.db2.gz DEFHTAABWZULAO-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001265833115 944531776 /nfs/dbraw/zinc/53/17/76/944531776.db2.gz XQIMHCVBNLQESJ-CABCVRRESA-N 1 3 279.428 1.367 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H](CC)N(C)C ZINC001266155884 944720760 /nfs/dbraw/zinc/72/07/60/944720760.db2.gz RIMGGSMHXUANAL-CHWSQXEVSA-N 1 3 255.406 1.387 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001278325156 946165443 /nfs/dbraw/zinc/16/54/43/946165443.db2.gz HQKHOKOQVMMRPI-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001279038195 948635127 /nfs/dbraw/zinc/63/51/27/948635127.db2.gz FUBKXYNHSFCDCC-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001494214345 972200253 /nfs/dbraw/zinc/20/02/53/972200253.db2.gz UUJQLKGYGWPPJW-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CCC[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001494214345 972200257 /nfs/dbraw/zinc/20/02/57/972200257.db2.gz UUJQLKGYGWPPJW-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CCC[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001316932892 957134807 /nfs/dbraw/zinc/13/48/07/957134807.db2.gz CHUOZUKXAAXCIW-UHFFFAOYSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001317190176 957334112 /nfs/dbraw/zinc/33/41/12/957334112.db2.gz MXZIIVWRKSRUGW-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001332043721 957412733 /nfs/dbraw/zinc/41/27/33/957412733.db2.gz ASEANILTGVJPPH-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001332198086 957475452 /nfs/dbraw/zinc/47/54/52/957475452.db2.gz HYADBFLMNIYNLL-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[N@H+](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001317445580 957479398 /nfs/dbraw/zinc/47/93/98/957479398.db2.gz CBVSPQQNYFEJND-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[N@@H+](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001317445580 957479404 /nfs/dbraw/zinc/47/94/04/957479404.db2.gz CBVSPQQNYFEJND-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCN(CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001317561878 957556811 /nfs/dbraw/zinc/55/68/11/957556811.db2.gz PLMKNZFOKXINTL-UHFFFAOYSA-N 1 3 279.428 1.629 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001494924484 972337444 /nfs/dbraw/zinc/33/74/44/972337444.db2.gz KVEBKHKINLIQAY-INIZCTEOSA-N 1 3 293.455 1.971 10 30 CDEEHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CN(C)CC(C)(C)C ZINC001319635475 958664469 /nfs/dbraw/zinc/66/44/69/958664469.db2.gz WHLLDGZBUXILJT-HNNXBMFYSA-N 1 3 295.471 1.718 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C1CCCCC1 ZINC001319663402 958679211 /nfs/dbraw/zinc/67/92/11/958679211.db2.gz NALDASCESAWHPV-HOTGVXAUSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCC[NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001495476217 972515181 /nfs/dbraw/zinc/51/51/81/972515181.db2.gz MANWQCOAHCBCNI-HDJSIYSDSA-N 1 3 290.411 1.854 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001495481103 972516766 /nfs/dbraw/zinc/51/67/66/972516766.db2.gz FDTQSNOBGIFEHI-SHTZXODSSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C[NH3+] ZINC001343232844 963933213 /nfs/dbraw/zinc/93/32/13/963933213.db2.gz GCMTXCWWUHOURU-SNVBAGLBSA-N 1 3 253.733 1.554 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC001344470390 964323401 /nfs/dbraw/zinc/32/34/01/964323401.db2.gz HGPVTHSIDUFXRC-HIFRSBDPSA-N 1 3 287.407 1.834 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001505816129 974994723 /nfs/dbraw/zinc/99/47/23/974994723.db2.gz FSHNNNAIRPIWMF-UHFFFAOYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001506581487 975183122 /nfs/dbraw/zinc/18/31/22/975183122.db2.gz XWVKUEFLNLCUCH-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCN1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001506581487 975183124 /nfs/dbraw/zinc/18/31/24/975183124.db2.gz XWVKUEFLNLCUCH-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001507121820 975344871 /nfs/dbraw/zinc/34/48/71/975344871.db2.gz JNLHENHPTKJCPM-LSDHHAIUSA-N 1 3 283.460 1.975 10 30 CDEEHO C=CCN1CC=C(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001508227116 975645648 /nfs/dbraw/zinc/64/56/48/975645648.db2.gz HMVGZMUUEXPSQA-OAHLLOKOSA-N 1 3 277.412 1.263 10 30 CDEEHO C=CCN1CC=C(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001508227116 975645656 /nfs/dbraw/zinc/64/56/56/975645656.db2.gz HMVGZMUUEXPSQA-OAHLLOKOSA-N 1 3 277.412 1.263 10 30 CDEEHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001677032607 1174308904 /nfs/dbraw/zinc/30/89/04/1174308904.db2.gz HHSMZCHEEBJEIY-UONOGXRCSA-N 1 3 279.428 1.177 10 30 CDEEHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001571567256 1170478747 /nfs/dbraw/zinc/47/87/47/1170478747.db2.gz KFKBXXDIRKTLOO-CABCVRRESA-N 1 3 293.455 1.423 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000594438891 342906198 /nfs/dbraw/zinc/90/61/98/342906198.db2.gz QOBPGQUKPQKWSO-KBPBESRZSA-N 1 3 278.400 1.094 10 30 CDEEHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C[C@@H]1C ZINC000594440094 342907067 /nfs/dbraw/zinc/90/70/67/342907067.db2.gz ZKSLXUYXQKWTSU-KKUMJFAQSA-N 1 3 294.443 1.729 10 30 CDEEHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C[C@@H]1C ZINC000594440094 342907068 /nfs/dbraw/zinc/90/70/68/342907068.db2.gz ZKSLXUYXQKWTSU-KKUMJFAQSA-N 1 3 294.443 1.729 10 30 CDEEHO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C1=CCN(C)CC1 ZINC000600736632 342244350 /nfs/dbraw/zinc/24/43/50/342244350.db2.gz SLQXRTLFMXWCDL-JSGCOSHPSA-N 1 3 263.385 1.281 10 30 CDEEHO CCC(CC)(C[NH3+])NC(=O)[C@@H](N)CCCCC#N ZINC000594426881 342904532 /nfs/dbraw/zinc/90/45/32/342904532.db2.gz RKTRAEHLDSSTLN-NSHDSACASA-N 1 3 254.378 1.031 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000595958738 343196201 /nfs/dbraw/zinc/19/62/01/343196201.db2.gz GYXAPQNJWJMQJB-SOUVJXGZSA-N 1 3 292.427 1.531 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000595958738 343196203 /nfs/dbraw/zinc/19/62/03/343196203.db2.gz GYXAPQNJWJMQJB-SOUVJXGZSA-N 1 3 292.427 1.531 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001661724540 1172434804 /nfs/dbraw/zinc/43/48/04/1172434804.db2.gz WGOUVQKSAXEQKB-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001661724540 1172434810 /nfs/dbraw/zinc/43/48/10/1172434810.db2.gz WGOUVQKSAXEQKB-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001661793141 1172447022 /nfs/dbraw/zinc/44/70/22/1172447022.db2.gz MVNQFPAROBPGMO-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO CC(C)(C)N1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683990 175092106 /nfs/dbraw/zinc/09/21/06/175092106.db2.gz DFSLPDJYOLLLIJ-UHFFFAOYSA-N 1 3 291.464 1.974 10 30 CDEEHO COC[C@H](C)N(C)Cc1sccc1C#CC[NH3+] ZINC000043683834 175092276 /nfs/dbraw/zinc/09/22/76/175092276.db2.gz WPAPTMYPSZSKIV-NSHDSACASA-N 1 3 252.383 1.525 10 30 CDEEHO NCC#Cc1ccc(C[N@H+](CCO)C2CCCC2)s1 ZINC000043684173 175092709 /nfs/dbraw/zinc/09/27/09/175092709.db2.gz PGLHAFFHWMOJHG-UHFFFAOYSA-N 1 3 278.421 1.795 10 30 CDEEHO NCC#Cc1ccc(C[N@@H+](CCO)C2CCCC2)s1 ZINC000043684173 175092710 /nfs/dbraw/zinc/09/27/10/175092710.db2.gz PGLHAFFHWMOJHG-UHFFFAOYSA-N 1 3 278.421 1.795 10 30 CDEEHO C=CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001665996926 1173100304 /nfs/dbraw/zinc/10/03/04/1173100304.db2.gz ZPHCSSJTERREFQ-WBVHZDCISA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001667492797 1173275679 /nfs/dbraw/zinc/27/56/79/1173275679.db2.gz DDNBDPQPFBZBPV-GJZGRUSLSA-N 1 3 281.444 1.635 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000334913251 277775340 /nfs/dbraw/zinc/77/53/40/277775340.db2.gz XETNTDLNGKYOCF-JSGCOSHPSA-N 1 3 280.416 1.158 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001672863495 1173806055 /nfs/dbraw/zinc/80/60/55/1173806055.db2.gz MXKBTBVJNUCWDM-LSDHHAIUSA-N 1 3 279.428 1.342 10 30 CDEEHO CC(C)CN1CCCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262473024 330015903 /nfs/dbraw/zinc/01/59/03/330015903.db2.gz BQFYQZINWIGTDY-OLZOCXBDSA-N 1 3 252.406 1.434 10 30 CDEEHO C=CC[NH+]1CCC(N[C@H](C)c2cnccc2N)CC1 ZINC000422855034 330157657 /nfs/dbraw/zinc/15/76/57/330157657.db2.gz BWEKPEVBWNBLKD-GFCCVEGCSA-N 1 3 260.385 1.795 10 30 CDEEHO C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001717472732 1180693474 /nfs/dbraw/zinc/69/34/74/1180693474.db2.gz QNHLLPMUQLAWJK-ZIAGYGMSSA-N 1 3 267.417 1.482 10 30 CDEEHO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001717472732 1180693477 /nfs/dbraw/zinc/69/34/77/1180693477.db2.gz QNHLLPMUQLAWJK-ZIAGYGMSSA-N 1 3 267.417 1.482 10 30 CDEEHO CCN[C@@H](C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000062436812 520058748 /nfs/dbraw/zinc/05/87/48/520058748.db2.gz SZDNYCZMRGKKLS-CQSZACIVSA-N 1 3 252.406 1.152 10 30 CDEEHO NCC#Cc1cccc(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000049609790 527152585 /nfs/dbraw/zinc/15/25/85/527152585.db2.gz BLSSQHHEMLPQNS-INIZCTEOSA-N 1 3 258.365 1.344 10 30 CDEEHO NCC#Cc1cccc(C[N@H+]2CCCC[C@H]2CO)c1 ZINC000049609790 527152591 /nfs/dbraw/zinc/15/25/91/527152591.db2.gz BLSSQHHEMLPQNS-INIZCTEOSA-N 1 3 258.365 1.344 10 30 CDEEHO C#CCN1CCC(C(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC000747978284 576891108 /nfs/dbraw/zinc/89/11/08/576891108.db2.gz JWSKCQCADZDEKQ-UHFFFAOYSA-N 1 3 289.423 1.028 10 30 CDEEHO C#C[C@](C)(CC)NCC(=O)NC[C@H](C)[NH2+][C@](C)(C#C)CC ZINC000930601779 617464132 /nfs/dbraw/zinc/46/41/32/617464132.db2.gz WNUBXDOTBANTAA-USXIJHARSA-N 1 3 291.439 1.274 10 30 CDEEHO C[NH2+]CCOCCN(C)Cc1c(C)cc(C#N)cc1C ZINC000903474424 626004734 /nfs/dbraw/zinc/00/47/34/626004734.db2.gz LSUDZTWRPNJFPU-UHFFFAOYSA-N 1 3 275.396 1.843 10 30 CDEEHO C=CCN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H](C)COC ZINC000903768194 626085439 /nfs/dbraw/zinc/08/54/39/626085439.db2.gz LTUVXMQFEGNSQW-KKUMJFAQSA-N 1 3 268.401 1.278 10 30 CDEEHO C=CC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001275310130 1166665750 /nfs/dbraw/zinc/66/57/50/1166665750.db2.gz BENDQGAQBYXGNW-RUXDESIVSA-N 1 3 267.417 1.243 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567141459 1168593031 /nfs/dbraw/zinc/59/30/31/1168593031.db2.gz BQCRYIOHXJAALH-CYBMUJFWSA-N 1 3 276.384 1.357 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001567701183 1168926214 /nfs/dbraw/zinc/92/62/14/1168926214.db2.gz DNZSKFIYDFHNMO-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001567701183 1168926227 /nfs/dbraw/zinc/92/62/27/1168926227.db2.gz DNZSKFIYDFHNMO-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001570046553 1170063256 /nfs/dbraw/zinc/06/32/56/1170063256.db2.gz CQTXBDONSYAYJQ-RBSFLKMASA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001570192701 1170106256 /nfs/dbraw/zinc/10/62/56/1170106256.db2.gz OZJPICKYZWAFHY-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001570192701 1170106261 /nfs/dbraw/zinc/10/62/61/1170106261.db2.gz OZJPICKYZWAFHY-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001673491738 1173864091 /nfs/dbraw/zinc/86/40/91/1173864091.db2.gz QYSYBMBDGCXDIZ-UHFFFAOYSA-N 1 3 293.455 1.666 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001691978984 1175661343 /nfs/dbraw/zinc/66/13/43/1175661343.db2.gz BWNHUAWVCLIFDQ-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001691978984 1175661348 /nfs/dbraw/zinc/66/13/48/1175661348.db2.gz BWNHUAWVCLIFDQ-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001698899115 1175980118 /nfs/dbraw/zinc/98/01/18/1175980118.db2.gz OZUSBXGCIFHMKW-GOEBONIOSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001699474064 1176433051 /nfs/dbraw/zinc/43/30/51/1176433051.db2.gz IGNUXLQQAVTYKL-CYBMUJFWSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001699474064 1176433058 /nfs/dbraw/zinc/43/30/58/1176433058.db2.gz IGNUXLQQAVTYKL-CYBMUJFWSA-N 1 3 255.406 1.339 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCC1 ZINC001700130290 1176761773 /nfs/dbraw/zinc/76/17/73/1176761773.db2.gz FMMRURSJBGRPFF-OAHLLOKOSA-N 1 3 291.439 1.511 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001707092262 1177949044 /nfs/dbraw/zinc/94/90/44/1177949044.db2.gz IFVSLGSUYBHMQJ-HDJSIYSDSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713667821 1178702474 /nfs/dbraw/zinc/70/24/74/1178702474.db2.gz PBMXBXWYNMRKRL-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714050087 1178946248 /nfs/dbraw/zinc/94/62/48/1178946248.db2.gz MYTYSUAKVUUUFI-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714050087 1178946255 /nfs/dbraw/zinc/94/62/55/1178946255.db2.gz MYTYSUAKVUUUFI-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001714418570 1179130423 /nfs/dbraw/zinc/13/04/23/1179130423.db2.gz BTNWZZDUZCVCOK-CQSZACIVSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001714495647 1179171759 /nfs/dbraw/zinc/17/17/59/1179171759.db2.gz KETOSBDMOOSPAA-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CCC(=C)C)CC1 ZINC001714573166 1179227848 /nfs/dbraw/zinc/22/78/48/1179227848.db2.gz VAELPIKMQGDELR-UHFFFAOYSA-N 1 3 291.439 1.346 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CCC(=C)C)CC1 ZINC001714573166 1179227861 /nfs/dbraw/zinc/22/78/61/1179227861.db2.gz VAELPIKMQGDELR-UHFFFAOYSA-N 1 3 291.439 1.346 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](CC)CNC(=O)CN1CC[C@@H](C)C1 ZINC001715081572 1179544359 /nfs/dbraw/zinc/54/43/59/1179544359.db2.gz OBMVLCKIJMFCAC-CABCVRRESA-N 1 3 281.444 1.779 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)C(C)C ZINC001715493107 1179681984 /nfs/dbraw/zinc/68/19/84/1179681984.db2.gz JATORFQZWRXMOC-HNNXBMFYSA-N 1 3 293.455 1.615 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001715506947 1179687127 /nfs/dbraw/zinc/68/71/27/1179687127.db2.gz NTENPSOCCXVTGL-HUUCEWRRSA-N 1 3 281.444 1.326 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001715555325 1179714939 /nfs/dbraw/zinc/71/49/39/1179714939.db2.gz ASYBDSAIBPCXQG-KBPBESRZSA-N 1 3 288.395 1.158 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001716414867 1180194156 /nfs/dbraw/zinc/19/41/56/1180194156.db2.gz WCZCOTFUHNRUFM-KGLIPLIRSA-N 1 3 267.417 1.530 10 30 CDEEHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001716874274 1180449300 /nfs/dbraw/zinc/44/93/00/1180449300.db2.gz KSLQMEIBVYEQGJ-NVXWUHKLSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001717236279 1180586287 /nfs/dbraw/zinc/58/62/87/1180586287.db2.gz QECCMKPTDWYNEV-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001717487617 1180703884 /nfs/dbraw/zinc/70/38/84/1180703884.db2.gz UPIYBWBWQIBHNZ-UONOGXRCSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001717487617 1180703889 /nfs/dbraw/zinc/70/38/89/1180703889.db2.gz UPIYBWBWQIBHNZ-UONOGXRCSA-N 1 3 269.433 1.585 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)C ZINC001717970665 1180953111 /nfs/dbraw/zinc/95/31/11/1180953111.db2.gz BJUJRRQXHLOSQV-CQSZACIVSA-N 1 3 292.427 1.957 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001723303035 1181535064 /nfs/dbraw/zinc/53/50/64/1181535064.db2.gz WKMRYQHETANJEX-HZPDHXFCSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001732344408 1182918090 /nfs/dbraw/zinc/91/80/90/1182918090.db2.gz WJNMDEFLOJYSQI-KGLIPLIRSA-N 1 3 267.417 1.387 10 30 CDEEHO CC#CCN1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733364164 1183410646 /nfs/dbraw/zinc/41/06/46/1183410646.db2.gz ZNYMWWBGUVHFBC-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001733364164 1183410652 /nfs/dbraw/zinc/41/06/52/1183410652.db2.gz ZNYMWWBGUVHFBC-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001733464498 1183438683 /nfs/dbraw/zinc/43/86/83/1183438683.db2.gz ROMXIBFKVWSMRX-WBVHZDCISA-N 1 3 293.455 1.733 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001733464498 1183438685 /nfs/dbraw/zinc/43/86/85/1183438685.db2.gz ROMXIBFKVWSMRX-WBVHZDCISA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001734295117 1183717007 /nfs/dbraw/zinc/71/70/07/1183717007.db2.gz JFSKYFRIUJKMQH-MRXNPFEDSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001734429356 1183776356 /nfs/dbraw/zinc/77/63/56/1183776356.db2.gz DLWDOFYUGFTMEP-KBPBESRZSA-N 1 3 265.401 1.237 10 30 CDEEHO C#CCCN(C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001734554567 1183824005 /nfs/dbraw/zinc/82/40/05/1183824005.db2.gz NRLDJPRAWPAKGR-HNNXBMFYSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCCN(C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001734554567 1183824011 /nfs/dbraw/zinc/82/40/11/1183824011.db2.gz NRLDJPRAWPAKGR-HNNXBMFYSA-N 1 3 279.428 1.130 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000876526138 751382822 /nfs/dbraw/zinc/38/28/22/751382822.db2.gz SUAILNUHLAAHJB-WDEREUQCSA-N 1 3 259.781 1.057 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC1=CCCC1 ZINC000133894519 751659227 /nfs/dbraw/zinc/65/92/27/751659227.db2.gz LBMFHHXYXVFCEK-CQSZACIVSA-N 1 3 264.417 1.875 10 30 CDEEHO CN(C(=O)[C@H](N)CCCCC#N)C1CCC([NH3+])CC1 ZINC000848395302 750334416 /nfs/dbraw/zinc/33/44/16/750334416.db2.gz BHXZGGMBBCDHAS-WXRRBKDZSA-N 1 3 266.389 1.126 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)CCCCCC[NH3+] ZINC000877436396 750829216 /nfs/dbraw/zinc/82/92/16/750829216.db2.gz HFYKVOIXXGLQHS-LLVKDONJSA-N 1 3 261.797 1.434 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000876716539 753018661 /nfs/dbraw/zinc/01/86/61/753018661.db2.gz HGYUKHWAIZNUPI-GFCCVEGCSA-N 1 3 273.808 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000876799548 753018892 /nfs/dbraw/zinc/01/88/92/753018892.db2.gz HLFFNUREONJGPI-BJDJZHNGSA-N 1 3 271.792 1.042 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000876745708 1165907651 /nfs/dbraw/zinc/90/76/51/1165907651.db2.gz KCTAQDOBTGQTCW-CQSZACIVSA-N 1 3 299.846 1.933 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000876779576 1165914934 /nfs/dbraw/zinc/91/49/34/1165914934.db2.gz JOIXMAODSROXBW-CYBMUJFWSA-N 1 3 294.786 1.200 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001267508628 898186998 /nfs/dbraw/zinc/18/69/98/898186998.db2.gz DDYHHVPNUYWHSZ-AWEZNQCLSA-N 1 3 267.417 1.177 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001267508628 898187009 /nfs/dbraw/zinc/18/70/09/898187009.db2.gz DDYHHVPNUYWHSZ-AWEZNQCLSA-N 1 3 267.417 1.177 10 30 CDEEHO C=CCC[NH+]1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001267681088 899266744 /nfs/dbraw/zinc/26/67/44/899266744.db2.gz HZZHWYQHKDFNEO-UHFFFAOYSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001267963705 900094112 /nfs/dbraw/zinc/09/41/12/900094112.db2.gz AHJDHLVRJAIPFE-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CC[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001481337006 900444728 /nfs/dbraw/zinc/44/47/28/900444728.db2.gz YRXYTSBKOYNBNZ-AWEZNQCLSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001567742988 1168944841 /nfs/dbraw/zinc/94/48/41/1168944841.db2.gz WDFAUOXKORSSST-AWEZNQCLSA-N 1 3 265.401 1.049 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001567742988 1168944848 /nfs/dbraw/zinc/94/48/48/1168944848.db2.gz WDFAUOXKORSSST-AWEZNQCLSA-N 1 3 265.401 1.049 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001268160349 901453179 /nfs/dbraw/zinc/45/31/79/901453179.db2.gz HVPHHEIOOUWYRS-OAHLLOKOSA-N 1 3 288.395 1.336 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481708485 901869445 /nfs/dbraw/zinc/86/94/45/901869445.db2.gz VWGLLCJKSOGBPH-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481708485 901869455 /nfs/dbraw/zinc/86/94/55/901869455.db2.gz VWGLLCJKSOGBPH-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001268674123 902937410 /nfs/dbraw/zinc/93/74/10/902937410.db2.gz PTDPHTNNMZVNII-CABCVRRESA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)N(C)C ZINC001271012249 905548614 /nfs/dbraw/zinc/54/86/14/905548614.db2.gz DGJDQDPLSPDUCW-UONOGXRCSA-N 1 3 269.433 1.729 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001482698016 908294039 /nfs/dbraw/zinc/29/40/39/908294039.db2.gz IPHYZDOJESYUOF-HUUCEWRRSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483339772 910937790 /nfs/dbraw/zinc/93/77/90/910937790.db2.gz SSZGJNOXJGNTJB-HNNXBMFYSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483339772 910937795 /nfs/dbraw/zinc/93/77/95/910937795.db2.gz SSZGJNOXJGNTJB-HNNXBMFYSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)CN1CCCC1 ZINC001273591443 921788418 /nfs/dbraw/zinc/78/84/18/921788418.db2.gz RMSCBPUDZJPFBQ-UHFFFAOYSA-N 1 3 253.390 1.049 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)CN1CCCC1 ZINC001273591443 921788429 /nfs/dbraw/zinc/78/84/29/921788429.db2.gz RMSCBPUDZJPFBQ-UHFFFAOYSA-N 1 3 253.390 1.049 10 30 CDEEHO C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001484937920 916290180 /nfs/dbraw/zinc/29/01/80/916290180.db2.gz ZAHCKIRPZKXAKS-GJZGRUSLSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001484937920 916290192 /nfs/dbraw/zinc/29/01/92/916290192.db2.gz ZAHCKIRPZKXAKS-GJZGRUSLSA-N 1 3 295.471 1.975 10 30 CDEEHO C#CCN1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001491119194 936861005 /nfs/dbraw/zinc/86/10/05/936861005.db2.gz CAJINWZOOKFVLQ-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001273365507 926451069 /nfs/dbraw/zinc/45/10/69/926451069.db2.gz IMFDCJFXNDKDOH-HNNXBMFYSA-N 1 3 297.443 1.110 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001488804873 926697123 /nfs/dbraw/zinc/69/71/23/926697123.db2.gz MVXUJCLZYRGYNO-FPCVCCKLSA-N 1 3 293.455 1.920 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001490270909 927069615 /nfs/dbraw/zinc/06/96/15/927069615.db2.gz XSWVFVYSVLBZEX-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000303792254 935043711 /nfs/dbraw/zinc/04/37/11/935043711.db2.gz YIPZTCBNKZGBCY-BZUAXINKSA-N 1 3 286.423 1.931 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]C(C)C)CC1 ZINC001568714545 1169442751 /nfs/dbraw/zinc/44/27/51/1169442751.db2.gz VOEVMPOWJPNGPG-AWEZNQCLSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001265456491 944395132 /nfs/dbraw/zinc/39/51/32/944395132.db2.gz VUMMFMBURFADKE-UONOGXRCSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001265947603 944589813 /nfs/dbraw/zinc/58/98/13/944589813.db2.gz QSGAZIYFCYAKIU-ZDUSSCGKSA-N 1 3 253.390 1.093 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001266007493 944625905 /nfs/dbraw/zinc/62/59/05/944625905.db2.gz ZIGGAQJPGJNXCM-ZFWWWQNUSA-N 1 3 290.411 1.888 10 30 CDEEHO C#CCN(C(=O)CC[NH+](C)C)C1CCN(CC(=C)C)CC1 ZINC001278177350 945028670 /nfs/dbraw/zinc/02/86/70/945028670.db2.gz OVKRUTMNSXBVAW-UHFFFAOYSA-N 1 3 291.439 1.440 10 30 CDEEHO C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001278422493 947874709 /nfs/dbraw/zinc/87/47/09/947874709.db2.gz DUJFANJUILAXRG-GJZGRUSLSA-N 1 3 297.443 1.108 10 30 CDEEHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001330475098 956445354 /nfs/dbraw/zinc/44/53/54/956445354.db2.gz LXNPJVVKZBEFPE-XHSDSOJGSA-N 1 3 293.455 1.729 10 30 CDEEHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001330475098 956445358 /nfs/dbraw/zinc/44/53/58/956445358.db2.gz LXNPJVVKZBEFPE-XHSDSOJGSA-N 1 3 293.455 1.729 10 30 CDEEHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001480727147 956648379 /nfs/dbraw/zinc/64/83/79/956648379.db2.gz QMANETAAXXJDHN-LSDHHAIUSA-N 1 3 299.434 1.775 10 30 CDEEHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001480727147 956648384 /nfs/dbraw/zinc/64/83/84/956648384.db2.gz QMANETAAXXJDHN-LSDHHAIUSA-N 1 3 299.434 1.775 10 30 CDEEHO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001316997990 957191484 /nfs/dbraw/zinc/19/14/84/957191484.db2.gz IFYIWXOJMGFNSE-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317158589 957310704 /nfs/dbraw/zinc/31/07/04/957310704.db2.gz UUJWLSGOOXETQI-LSDHHAIUSA-N 1 3 279.428 1.034 10 30 CDEEHO C=CCOCCN1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001332197611 957475381 /nfs/dbraw/zinc/47/53/81/957475381.db2.gz DHLUKRFWFDNUNJ-LSDHHAIUSA-N 1 3 297.443 1.110 10 30 CDEEHO CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001317678533 957636901 /nfs/dbraw/zinc/63/69/01/957636901.db2.gz FOZIJZYHAXYJFJ-ZBFHGGJFSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317855970 957697398 /nfs/dbraw/zinc/69/73/98/957697398.db2.gz ZPMARSSHYSZURB-GJZGRUSLSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317855970 957697403 /nfs/dbraw/zinc/69/74/03/957697403.db2.gz ZPMARSSHYSZURB-GJZGRUSLSA-N 1 3 281.444 1.683 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001318848096 958279407 /nfs/dbraw/zinc/27/94/07/958279407.db2.gz CSIAHESGJIBBSI-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[NH2+]CC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001320548171 959231828 /nfs/dbraw/zinc/23/18/28/959231828.db2.gz JPANIHGVKFFCJP-KGLIPLIRSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001342646279 963787359 /nfs/dbraw/zinc/78/73/59/963787359.db2.gz RLUUSSMWCFWBGN-UPJWGTAASA-N 1 3 253.390 1.113 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001353331766 967906183 /nfs/dbraw/zinc/90/61/83/967906183.db2.gz YUEJBBRNUOCQQI-INIZCTEOSA-N 1 3 292.427 1.174 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001357981629 969675888 /nfs/dbraw/zinc/67/58/88/969675888.db2.gz QTUONFSULVQPOG-CYBMUJFWSA-N 1 3 267.417 1.613 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001357981629 969675892 /nfs/dbraw/zinc/67/58/92/969675892.db2.gz QTUONFSULVQPOG-CYBMUJFWSA-N 1 3 267.417 1.613 10 30 CDEEHO C=CCCC[C@@H]([NH3+])C(=O)N1CCN(C)C(C)(C)CC1 ZINC001357981629 969675896 /nfs/dbraw/zinc/67/58/96/969675896.db2.gz QTUONFSULVQPOG-CYBMUJFWSA-N 1 3 267.417 1.613 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001496836769 973115819 /nfs/dbraw/zinc/11/58/19/973115819.db2.gz VTXGWMAKWHUUHW-UHFFFAOYSA-N 1 3 253.390 1.049 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001496836769 973115822 /nfs/dbraw/zinc/11/58/22/973115822.db2.gz VTXGWMAKWHUUHW-UHFFFAOYSA-N 1 3 253.390 1.049 10 30 CDEEHO CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001569683988 1169965734 /nfs/dbraw/zinc/96/57/34/1169965734.db2.gz VQACYJQXZDBDRG-NVXWUHKLSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001502017715 974674883 /nfs/dbraw/zinc/67/48/83/974674883.db2.gz SNQPEYJKMMKOEL-GFCCVEGCSA-N 1 3 253.390 1.141 10 30 CDEEHO C=C(C)C[NH2+][C@H](CCNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001506995885 975288557 /nfs/dbraw/zinc/28/85/57/975288557.db2.gz RTHFSMHTTXVTPP-CQSZACIVSA-N 1 3 292.427 1.957 10 30 CDEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001403378837 976922080 /nfs/dbraw/zinc/92/20/80/976922080.db2.gz WCTKFSNQTGSBTK-JHJVBQTASA-N 1 3 287.835 1.564 10 30 CDEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001403378837 976922086 /nfs/dbraw/zinc/92/20/86/976922086.db2.gz WCTKFSNQTGSBTK-JHJVBQTASA-N 1 3 287.835 1.564 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001674157021 1173920727 /nfs/dbraw/zinc/92/07/27/1173920727.db2.gz YRIFCVOCMFWSAN-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001674157021 1173920732 /nfs/dbraw/zinc/92/07/32/1173920732.db2.gz YRIFCVOCMFWSAN-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCN1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001676817445 1174276501 /nfs/dbraw/zinc/27/65/01/1174276501.db2.gz YHPJZTKPYATLRX-ZBFHGGJFSA-N 1 3 277.412 1.075 10 30 CDEEHO C[NH+]1CCC(CCNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594436196 342899270 /nfs/dbraw/zinc/89/92/70/342899270.db2.gz BRYWWGXPWXOCPK-CQSZACIVSA-N 1 3 280.416 1.246 10 30 CDEEHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594441924 342907807 /nfs/dbraw/zinc/90/78/07/342907807.db2.gz YPZRJKXVYAPPTH-HNNXBMFYSA-N 1 3 294.443 1.729 10 30 CDEEHO CCCN(C(=O)[C@@H](N)CCCCC#N)C1CC[NH2+]CC1 ZINC000594445922 342908824 /nfs/dbraw/zinc/90/88/24/342908824.db2.gz NQCIAOXCBHCYIV-AWEZNQCLSA-N 1 3 280.416 1.388 10 30 CDEEHO N#CCCCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595865688 343175719 /nfs/dbraw/zinc/17/57/19/343175719.db2.gz IYTACDHHEOHMRR-CQSZACIVSA-N 1 3 251.374 1.211 10 30 CDEEHO Cc1cc(N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C#N)cn1 ZINC000596364163 343311060 /nfs/dbraw/zinc/31/10/60/343311060.db2.gz YHZKMBWZCZPRSZ-AWEZNQCLSA-N 1 3 289.427 1.368 10 30 CDEEHO Cc1cc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C#N)cn1 ZINC000596364163 343311061 /nfs/dbraw/zinc/31/10/61/343311061.db2.gz YHZKMBWZCZPRSZ-AWEZNQCLSA-N 1 3 289.427 1.368 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001661136173 1172341585 /nfs/dbraw/zinc/34/15/85/1172341585.db2.gz FSHZDELMNYNQGQ-KGLIPLIRSA-N 1 3 267.417 1.243 10 30 CDEEHO N#Cc1ccc(OCCN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422995019 374366492 /nfs/dbraw/zinc/36/64/92/374366492.db2.gz WUXINSIJNNRSOY-ZFWWWQNUSA-N 1 3 259.353 1.654 10 30 CDEEHO CCN[C@@](C)(C#N)CCC[NH+]1CCC(N(C)C)CC1 ZINC000045311108 175356180 /nfs/dbraw/zinc/35/61/80/175356180.db2.gz QATKKOMIUXBYCX-OAHLLOKOSA-N 1 3 266.433 1.684 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC12CC2 ZINC000263090482 330043089 /nfs/dbraw/zinc/04/30/89/330043089.db2.gz ISMJAHUSKFYPPM-VXGBXAGGSA-N 1 3 250.390 1.175 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001270913495 1160229150 /nfs/dbraw/zinc/22/91/50/1160229150.db2.gz JXJWMNDNFSOLDF-CHWSQXEVSA-N 1 3 253.390 1.093 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)N(C)C ZINC001482605690 1160543240 /nfs/dbraw/zinc/54/32/40/1160543240.db2.gz FEIWSOKIUSOFLW-CYBMUJFWSA-N 1 3 255.406 1.293 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H](CC)N(C)C ZINC001482605690 1160543247 /nfs/dbraw/zinc/54/32/47/1160543247.db2.gz FEIWSOKIUSOFLW-CYBMUJFWSA-N 1 3 255.406 1.293 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001713221903 1178441428 /nfs/dbraw/zinc/44/14/28/1178441428.db2.gz SXZJKUVDVSLWHS-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO CCN1CCN(Cc2ccccc2C#CC[NH3+])CC1 ZINC000049608708 521688794 /nfs/dbraw/zinc/68/87/94/521688794.db2.gz JULRAQIYVUZJDA-UHFFFAOYSA-N 1 3 257.381 1.134 10 30 CDEEHO C[N@H+](Cc1cccc(C#CCN)c1)[C@@H]1CCSC1 ZINC000049609007 523291527 /nfs/dbraw/zinc/29/15/27/523291527.db2.gz ABZGIITWFURIPJ-OAHLLOKOSA-N 1 3 260.406 1.934 10 30 CDEEHO C[N@@H+](Cc1cccc(C#CCN)c1)[C@@H]1CCSC1 ZINC000049609007 523291542 /nfs/dbraw/zinc/29/15/42/523291542.db2.gz ABZGIITWFURIPJ-OAHLLOKOSA-N 1 3 260.406 1.934 10 30 CDEEHO COCCN(Cc1ccc(F)cc1C#CC[NH3+])C1CC1 ZINC000049609708 523747614 /nfs/dbraw/zinc/74/76/14/523747614.db2.gz BURMNDKVFCUATI-UHFFFAOYSA-N 1 3 276.355 1.747 10 30 CDEEHO NCC#Cc1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000049608679 527148752 /nfs/dbraw/zinc/14/87/52/527148752.db2.gz YAAYPZXRRZEYLB-KRWDZBQOSA-N 1 3 272.392 1.734 10 30 CDEEHO NCC#Cc1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000049608679 527148761 /nfs/dbraw/zinc/14/87/61/527148761.db2.gz YAAYPZXRRZEYLB-KRWDZBQOSA-N 1 3 272.392 1.734 10 30 CDEEHO C=C(C)C[NH+]1CCC(Nc2cc(C)nc(N)n2)CC1 ZINC000729986984 574834238 /nfs/dbraw/zinc/83/42/38/574834238.db2.gz RXTVMANQMJFLHZ-UHFFFAOYSA-N 1 3 261.373 1.820 10 30 CDEEHO N#CCN1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925609441 617553857 /nfs/dbraw/zinc/55/38/57/617553857.db2.gz UCHDVLHQWVQAPD-SJORKVTESA-N 1 3 290.455 1.732 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000876745708 1165907647 /nfs/dbraw/zinc/90/76/47/1165907647.db2.gz KCTAQDOBTGQTCW-CQSZACIVSA-N 1 3 299.846 1.933 10 30 CDEEHO C#CC[NH2+][C@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001689271423 1175133148 /nfs/dbraw/zinc/13/31/48/1175133148.db2.gz JGGXVWHYOKVBHJ-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001690787380 1175572493 /nfs/dbraw/zinc/57/24/93/1175572493.db2.gz HUPMPJCWVNJJMR-CABCVRRESA-N 1 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/nfs/dbraw/zinc/96/50/55/1176965055.db2.gz QNUZWOQGTIRMQL-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001707090426 1177949164 /nfs/dbraw/zinc/94/91/64/1177949164.db2.gz HZTWRQPBRIWGGK-JOCQHMNTSA-N 1 3 265.401 1.141 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001713221903 1178441426 /nfs/dbraw/zinc/44/14/26/1178441426.db2.gz SXZJKUVDVSLWHS-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCN1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001714116075 1178980696 /nfs/dbraw/zinc/98/06/96/1178980696.db2.gz XFWWPNQSBHSOKN-MRXNPFEDSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CC=C)CC1 ZINC001714125635 1178983745 /nfs/dbraw/zinc/98/37/45/1178983745.db2.gz ZMRTXWQIAUNASX-OAHLLOKOSA-N 1 3 277.412 1.002 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001714390080 1179120032 /nfs/dbraw/zinc/12/00/32/1179120032.db2.gz BLBGOHFJUOUVCE-LSDHHAIUSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001715007189 1179504091 /nfs/dbraw/zinc/50/40/91/1179504091.db2.gz AXJCIEHNUMMKPT-LSDHHAIUSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001715008026 1179505652 /nfs/dbraw/zinc/50/56/52/1179505652.db2.gz DRPFVAAUBIRVNP-GOEBONIOSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001715572860 1179722261 /nfs/dbraw/zinc/72/22/61/1179722261.db2.gz VCLOXSXRPRQTLD-HUUCEWRRSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)CC[NH2+]C/C=C/CNC(=O)CN1CCC(C)CC1 ZINC001715883901 1179896997 /nfs/dbraw/zinc/89/69/97/1179896997.db2.gz FCQYXBWRZMDDLD-SNAWJCMRSA-N 1 3 293.455 1.947 10 30 CDEEHO CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001717673170 1180786710 /nfs/dbraw/zinc/78/67/10/1180786710.db2.gz RTROVAZPMPBWKU-ZIAGYGMSSA-N 1 3 267.417 1.224 10 30 CDEEHO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001717751352 1180829093 /nfs/dbraw/zinc/82/90/93/1180829093.db2.gz UODXZLWDFQRMOT-ZIAGYGMSSA-N 1 3 267.417 1.032 10 30 CDEEHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001725317754 1181960888 /nfs/dbraw/zinc/96/08/88/1181960888.db2.gz MILZSFFUFPQJLK-QKDCVEJESA-N 1 3 279.428 1.197 10 30 CDEEHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001725317754 1181960893 /nfs/dbraw/zinc/96/08/93/1181960893.db2.gz MILZSFFUFPQJLK-QKDCVEJESA-N 1 3 279.428 1.197 10 30 CDEEHO C#CCC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001731615907 1182480848 /nfs/dbraw/zinc/48/08/48/1182480848.db2.gz DDUVBRKCTYYDTK-CZUORRHYSA-N 1 3 297.418 1.317 10 30 CDEEHO CC#CCN1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001731857426 1182631850 /nfs/dbraw/zinc/63/18/50/1182631850.db2.gz LRAODVKCXGVOOJ-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001732221945 1182866906 /nfs/dbraw/zinc/86/69/06/1182866906.db2.gz ILLGOZKQRJXJNB-HZPDHXFCSA-N 1 3 293.455 1.759 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001732501698 1182990406 /nfs/dbraw/zinc/99/04/06/1182990406.db2.gz VBDJNVFUYZWOPV-GJZGRUSLSA-N 1 3 279.428 1.177 10 30 CDEEHO CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CCC ZINC001732547291 1183003561 /nfs/dbraw/zinc/00/35/61/1183003561.db2.gz MLRXPPLSPQCLRP-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732592292 1183033544 /nfs/dbraw/zinc/03/35/44/1183033544.db2.gz IODWVITUKBJGBA-MRXNPFEDSA-N 1 3 299.434 1.775 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001732592292 1183033548 /nfs/dbraw/zinc/03/35/48/1183033548.db2.gz IODWVITUKBJGBA-MRXNPFEDSA-N 1 3 299.434 1.775 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001733533316 1183458650 /nfs/dbraw/zinc/45/86/50/1183458650.db2.gz KBQYKUHVHJDQKI-HZPDHXFCSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001733675410 1183494219 /nfs/dbraw/zinc/49/42/19/1183494219.db2.gz BEANLEBGAYNVAC-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)CCC)CCC1 ZINC001733726166 1183510298 /nfs/dbraw/zinc/51/02/98/1183510298.db2.gz KXACDTYKZCTWCW-UHFFFAOYSA-N 1 3 267.417 1.533 10 30 CDEEHO CC#CC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001733806888 1183537335 /nfs/dbraw/zinc/53/73/35/1183537335.db2.gz YZBUXONMTCDXIV-UHFFFAOYSA-N 1 3 288.395 1.336 10 30 CDEEHO C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001734060516 1183642916 /nfs/dbraw/zinc/64/29/16/1183642916.db2.gz VRGTVIIQUMASLA-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001734060516 1183642919 /nfs/dbraw/zinc/64/29/19/1183642919.db2.gz VRGTVIIQUMASLA-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO CC#CCN[C@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001734358557 1183745666 /nfs/dbraw/zinc/74/56/66/1183745666.db2.gz ZGKIRNRFWPOYIX-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000876909770 755741081 /nfs/dbraw/zinc/74/10/81/755741081.db2.gz HKDNYQZTZLFKQH-ZDUSSCGKSA-N 1 3 285.819 1.447 10 30 CDEEHO C[NH+]=C(NCC1CCC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262017219 753962600 /nfs/dbraw/zinc/96/26/00/753962600.db2.gz XZNBEWMJRBORGM-TZMCWYRMSA-N 1 3 266.433 1.680 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C(C)C ZINC000178580593 754571271 /nfs/dbraw/zinc/57/12/71/754571271.db2.gz DDIRSWGIINPOHO-OLZOCXBDSA-N 1 3 254.422 1.667 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000876879333 755525824 /nfs/dbraw/zinc/52/58/24/755525824.db2.gz QHKVUVXEKROVRX-QWRGUYRKSA-N 1 3 259.781 1.009 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000876787847 755703074 /nfs/dbraw/zinc/70/30/74/755703074.db2.gz WUVRMRBFOZPCOR-AGIUHOORSA-N 1 3 285.819 1.447 10 30 CDEEHO CC1(C)[C@H]([NH2+]C2CCN(CC#N)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925607501 756674815 /nfs/dbraw/zinc/67/48/15/756674815.db2.gz BZLWSFXLOSNYSE-QLFBSQMISA-N 1 3 276.428 1.341 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000876731336 756684827 /nfs/dbraw/zinc/68/48/27/756684827.db2.gz IMZRRCDAMQAJTJ-WCQYABFASA-N 1 3 287.835 1.695 10 30 CDEEHO C[NH+]=C(NC[C@H](C)SC)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261967279 756838571 /nfs/dbraw/zinc/83/85/71/756838571.db2.gz LTSFUPWZICVTTJ-FRRDWIJNSA-N 1 3 286.489 1.632 10 30 CDEEHO CC[NH+]=C(NCC(C)C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261933715 757553380 /nfs/dbraw/zinc/55/33/80/757553380.db2.gz BXJDNTOXRUZFON-ZIAGYGMSSA-N 1 3 268.449 1.926 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877354408 757852640 /nfs/dbraw/zinc/85/26/40/757852640.db2.gz GWLOYMFSSZCZBM-CIUDSAMLSA-N 1 3 299.724 1.052 10 30 CDEEHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001408255567 976980998 /nfs/dbraw/zinc/98/09/98/976980998.db2.gz ZKUSFVCNGIZGDG-LBPRGKRZSA-N 1 3 275.824 1.564 10 30 CDEEHO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001565904288 1168199326 /nfs/dbraw/zinc/19/93/26/1168199326.db2.gz ACOPAAUPWXEYPP-LSDHHAIUSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001566871407 1168453070 /nfs/dbraw/zinc/45/30/70/1168453070.db2.gz BRQFRKNOVBIOTR-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001566871407 1168453074 /nfs/dbraw/zinc/45/30/74/1168453074.db2.gz BRQFRKNOVBIOTR-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001566906095 1168461198 /nfs/dbraw/zinc/46/11/98/1168461198.db2.gz VUCKIMNWNWZABU-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001266769455 896010656 /nfs/dbraw/zinc/01/06/56/896010656.db2.gz AFRHYUNVSPQQPR-INIZCTEOSA-N 1 3 291.439 1.324 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001480923156 897079177 /nfs/dbraw/zinc/07/91/77/897079177.db2.gz MVMXLDJFPKLODW-UONOGXRCSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001480923156 897079186 /nfs/dbraw/zinc/07/91/86/897079186.db2.gz MVMXLDJFPKLODW-UONOGXRCSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267305746 897542727 /nfs/dbraw/zinc/54/27/27/897542727.db2.gz CGCHUSXOAWGCBK-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267305746 897542742 /nfs/dbraw/zinc/54/27/42/897542742.db2.gz CGCHUSXOAWGCBK-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCN(CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001267337631 897629702 /nfs/dbraw/zinc/62/97/02/897629702.db2.gz CPIGWAQKJBXMLV-KBPBESRZSA-N 1 3 279.428 1.626 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267456121 897930864 /nfs/dbraw/zinc/93/08/64/897930864.db2.gz LZXHBETXVJYUBR-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCCN1CC ZINC001481153887 898987586 /nfs/dbraw/zinc/98/75/86/898987586.db2.gz FKIHRBIYHMLLOW-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCCN1CC ZINC001481153887 898987593 /nfs/dbraw/zinc/98/75/93/898987593.db2.gz FKIHRBIYHMLLOW-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268002665 900247708 /nfs/dbraw/zinc/24/77/08/900247708.db2.gz BZVOIVHVWUEMJO-CJNGLKHVSA-N 1 3 297.418 1.174 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001342739299 901179230 /nfs/dbraw/zinc/17/92/30/901179230.db2.gz UCJYPZFQLCURSA-DZGCQCFKSA-N 1 3 265.401 1.415 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001268163613 901459369 /nfs/dbraw/zinc/45/93/69/901459369.db2.gz YYSAMNVVVWMNJI-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CCC ZINC001481681439 901783497 /nfs/dbraw/zinc/78/34/97/901783497.db2.gz JXRDVVLDQDMDPB-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CCC ZINC001481681439 901783505 /nfs/dbraw/zinc/78/35/05/901783505.db2.gz JXRDVVLDQDMDPB-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268746557 903073079 /nfs/dbraw/zinc/07/30/79/903073079.db2.gz LOHRRWJVDBTSPN-CZUORRHYSA-N 1 3 299.434 1.821 10 30 CDEEHO C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268746557 903073087 /nfs/dbraw/zinc/07/30/87/903073087.db2.gz LOHRRWJVDBTSPN-CZUORRHYSA-N 1 3 299.434 1.821 10 30 CDEEHO C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558167 903929903 /nfs/dbraw/zinc/92/99/03/903929903.db2.gz WZAURMSNMJWJCM-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001482235942 904020928 /nfs/dbraw/zinc/02/09/28/904020928.db2.gz ABJDWSXLIZLTGL-UHFFFAOYSA-N 1 3 290.411 1.855 10 30 CDEEHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001270829849 905111825 /nfs/dbraw/zinc/11/18/25/905111825.db2.gz NKRPSMKEVMHSAT-RDJZCZTQSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001482534430 906894858 /nfs/dbraw/zinc/89/48/58/906894858.db2.gz RXXMEBYGUFXXGS-HNNXBMFYSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CCF)C(C)C)CC1 ZINC001482572865 907299781 /nfs/dbraw/zinc/29/97/81/907299781.db2.gz QVVRQMDSWVKRPD-HNNXBMFYSA-N 1 3 297.418 1.032 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001272227908 909313151 /nfs/dbraw/zinc/31/31/51/909313151.db2.gz XBEDDRCSHFIVTI-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001272227908 909313165 /nfs/dbraw/zinc/31/31/65/909313165.db2.gz XBEDDRCSHFIVTI-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCN1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491121123 936859327 /nfs/dbraw/zinc/85/93/27/936859327.db2.gz YGZFVBRYLWBRJD-HUUCEWRRSA-N 1 3 279.428 1.034 10 30 CDEEHO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001488777557 926688626 /nfs/dbraw/zinc/68/86/26/926688626.db2.gz WRHXDCYTKBTFDB-OAGGEKHMSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)CC[NH2+]C/C=C/CNC(=O)CN1CC[C@@H](C)C1 ZINC001274368453 931494169 /nfs/dbraw/zinc/49/41/69/931494169.db2.gz LMQJAEMKBSJORE-MBVDDHJVSA-N 1 3 279.428 1.556 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001274446914 931500821 /nfs/dbraw/zinc/50/08/21/931500821.db2.gz SVMPMEIYYJWHOP-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001275160332 931683470 /nfs/dbraw/zinc/68/34/70/931683470.db2.gz LTSZNICFFWJJGI-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001275160332 931683472 /nfs/dbraw/zinc/68/34/72/931683472.db2.gz LTSZNICFFWJJGI-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001275827745 932070625 /nfs/dbraw/zinc/07/06/25/932070625.db2.gz LMDRDLNWYKXXNP-OAHLLOKOSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001275827745 932070633 /nfs/dbraw/zinc/07/06/33/932070633.db2.gz LMDRDLNWYKXXNP-OAHLLOKOSA-N 1 3 293.455 1.711 10 30 CDEEHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC001118383419 937622257 /nfs/dbraw/zinc/62/22/57/937622257.db2.gz GVQJENSTLLBAED-HZSPNIEDSA-N 1 3 280.416 1.387 10 30 CDEEHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001332436801 942416832 /nfs/dbraw/zinc/41/68/32/942416832.db2.gz HXPAGGJYKRZTSA-ZIAGYGMSSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001263175917 943775389 /nfs/dbraw/zinc/77/53/89/943775389.db2.gz PCFDZUDVYQRCTB-YPMHNXCESA-N 1 3 253.390 1.174 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001265358792 944358556 /nfs/dbraw/zinc/35/85/56/944358556.db2.gz QLSHTNZBRTZDBY-CVEARBPZSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001265584128 944438075 /nfs/dbraw/zinc/43/80/75/944438075.db2.gz HEJDGNBYRZQRGQ-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001265584128 944438079 /nfs/dbraw/zinc/43/80/79/944438079.db2.gz HEJDGNBYRZQRGQ-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001266120072 944687531 /nfs/dbraw/zinc/68/75/31/944687531.db2.gz SEQOFRVZNIWBDG-AWEZNQCLSA-N 1 3 267.417 1.435 10 30 CDEEHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001266120072 944687536 /nfs/dbraw/zinc/68/75/36/944687536.db2.gz SEQOFRVZNIWBDG-AWEZNQCLSA-N 1 3 267.417 1.435 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001278301160 945540945 /nfs/dbraw/zinc/54/09/45/945540945.db2.gz LCQFQSHKZCZORC-TZMCWYRMSA-N 1 3 276.384 1.497 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491965101 955548717 /nfs/dbraw/zinc/54/87/17/955548717.db2.gz GZDFAIQSNKDLBM-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491965101 955548735 /nfs/dbraw/zinc/54/87/35/955548735.db2.gz GZDFAIQSNKDLBM-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317532541 956800860 /nfs/dbraw/zinc/80/08/60/956800860.db2.gz LOFQPFJIZNGQFP-JKSUJKDBSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317532541 956800866 /nfs/dbraw/zinc/80/08/66/956800866.db2.gz LOFQPFJIZNGQFP-JKSUJKDBSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001317350216 957432953 /nfs/dbraw/zinc/43/29/53/957432953.db2.gz KDCZSPDSMLRWIB-UONOGXRCSA-N 1 3 277.412 1.121 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001317574452 957572205 /nfs/dbraw/zinc/57/22/05/957572205.db2.gz XKYFVAYEYUDJQZ-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317831752 957683011 /nfs/dbraw/zinc/68/30/11/957683011.db2.gz WNFXZQVOGFIBJM-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317831752 957683027 /nfs/dbraw/zinc/68/30/27/957683027.db2.gz WNFXZQVOGFIBJM-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO CC#CC[NH2+]C[C@@](C)(NC(=O)CN(C)CCC)C1CC1 ZINC001318726647 958246768 /nfs/dbraw/zinc/24/67/68/958246768.db2.gz AEUCLRCEIJRBLR-MRXNPFEDSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001494906788 972334894 /nfs/dbraw/zinc/33/48/94/972334894.db2.gz VBYPMALZCDNVGN-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001494906788 972334897 /nfs/dbraw/zinc/33/48/97/972334897.db2.gz VBYPMALZCDNVGN-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)CN(C)C1CCC1 ZINC001319617408 958656503 /nfs/dbraw/zinc/65/65/03/958656503.db2.gz BLHNMNNTUSXTFD-HNNXBMFYSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001319946053 958805922 /nfs/dbraw/zinc/80/59/22/958805922.db2.gz WUVGTMNRIHUCOZ-CABCVRRESA-N 1 3 279.428 1.082 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001320066238 958912782 /nfs/dbraw/zinc/91/27/82/958912782.db2.gz CVJRSXAAHRSVGT-UHFFFAOYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCC[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001320066238 958912800 /nfs/dbraw/zinc/91/28/00/958912800.db2.gz CVJRSXAAHRSVGT-UHFFFAOYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001322194317 960125829 /nfs/dbraw/zinc/12/58/29/960125829.db2.gz RBIQUUONOHBXNV-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001322194317 960125842 /nfs/dbraw/zinc/12/58/42/960125842.db2.gz RBIQUUONOHBXNV-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C#CC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001495520730 972529130 /nfs/dbraw/zinc/52/91/30/972529130.db2.gz ORTPVCMWMZVCGO-INIZCTEOSA-N 1 3 293.455 1.424 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001371618033 972568206 /nfs/dbraw/zinc/56/82/06/972568206.db2.gz QXUSDNHHCHAKEZ-GXTWGEPZSA-N 1 3 299.846 1.519 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001496386759 972907106 /nfs/dbraw/zinc/90/71/06/972907106.db2.gz BMLFBLALMPIEJU-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376955305 974827999 /nfs/dbraw/zinc/82/79/99/974827999.db2.gz MDAISOKTXAGXLA-ZDUSSCGKSA-N 1 3 285.819 1.273 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507090156 975331908 /nfs/dbraw/zinc/33/19/08/975331908.db2.gz PHJJMQJBPNLGJI-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001379024826 975602712 /nfs/dbraw/zinc/60/27/12/975602712.db2.gz NGKCUIWHZPYNBN-CYBMUJFWSA-N 1 3 287.835 1.517 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001402491883 976312517 /nfs/dbraw/zinc/31/25/17/976312517.db2.gz INIZVBJLXRKLFB-IHRRRGAJSA-N 1 3 299.846 1.850 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001402491883 976312531 /nfs/dbraw/zinc/31/25/31/976312531.db2.gz INIZVBJLXRKLFB-IHRRRGAJSA-N 1 3 299.846 1.850 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001571638925 1170500620 /nfs/dbraw/zinc/50/06/20/1170500620.db2.gz BKGFSERGIBAXOB-AWEZNQCLSA-N 1 3 281.444 1.470 10 30 CDEEHO C[N@H+](CCNC(=O)[C@H](N)CCCCC#N)C1CCCC1 ZINC000594436609 342899454 /nfs/dbraw/zinc/89/94/54/342899454.db2.gz DROBYCCFXZWSOH-CQSZACIVSA-N 1 3 280.416 1.388 10 30 CDEEHO C[N@@H+](CCNC(=O)[C@H](N)CCCCC#N)C1CCCC1 ZINC000594436609 342899455 /nfs/dbraw/zinc/89/94/55/342899455.db2.gz DROBYCCFXZWSOH-CQSZACIVSA-N 1 3 280.416 1.388 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594439595 342906563 /nfs/dbraw/zinc/90/65/63/342906563.db2.gz XPCRMCKMVNNCES-HUUCEWRRSA-N 1 3 292.427 1.484 10 30 CDEEHO CC(C)[NH+](CCNC(=O)[C@@H](N)CCCCC#N)C(C)C ZINC000594446024 342908812 /nfs/dbraw/zinc/90/88/12/342908812.db2.gz OWZUPGIMEBYQCD-AWEZNQCLSA-N 1 3 282.432 1.633 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000594449022 342909262 /nfs/dbraw/zinc/90/92/62/342909262.db2.gz CBVOMYZWGYJCOJ-KGLIPLIRSA-N 1 3 286.379 1.314 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000600714577 342242298 /nfs/dbraw/zinc/24/22/98/342242298.db2.gz AIRDQVFQNQHUCJ-MJBXVCDLSA-N 1 3 263.385 1.258 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000600714577 342242299 /nfs/dbraw/zinc/24/22/99/342242299.db2.gz AIRDQVFQNQHUCJ-MJBXVCDLSA-N 1 3 263.385 1.258 10 30 CDEEHO C[C@H](CCNC[C@H](O)CC1(C#N)CC1)[NH+]1CCCCC1 ZINC000600733811 342245983 /nfs/dbraw/zinc/24/59/83/342245983.db2.gz FKQLMAZBLVXOSJ-HUUCEWRRSA-N 1 3 279.428 1.895 10 30 CDEEHO C[C@H](CC[NH2+]C[C@H](O)CC1(C#N)CC1)N1CCCCC1 ZINC000600733811 342245984 /nfs/dbraw/zinc/24/59/84/342245984.db2.gz FKQLMAZBLVXOSJ-HUUCEWRRSA-N 1 3 279.428 1.895 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000594425036 342903999 /nfs/dbraw/zinc/90/39/99/342903999.db2.gz JHDYOBYMRXXNDG-UONOGXRCSA-N 1 3 280.416 1.421 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000067235529 347552167 /nfs/dbraw/zinc/55/21/67/347552167.db2.gz QARUHVJVLCUJHD-INIZCTEOSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001662872799 1172604896 /nfs/dbraw/zinc/60/48/96/1172604896.db2.gz SUYPRGUOROJFHH-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001662872799 1172604901 /nfs/dbraw/zinc/60/49/01/1172604901.db2.gz SUYPRGUOROJFHH-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654431231 413278329 /nfs/dbraw/zinc/27/83/29/413278329.db2.gz AXQWHPHFSMTMQN-OTVXOJSOSA-N 1 3 294.443 1.276 10 30 CDEEHO COC1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043688906 175095724 /nfs/dbraw/zinc/09/57/24/175095724.db2.gz QIORWNGSENZCTA-UHFFFAOYSA-N 1 3 264.394 1.669 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001667584452 1173293295 /nfs/dbraw/zinc/29/32/95/1173293295.db2.gz ANSACHJHHGINTR-HOTGVXAUSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001667584452 1173293301 /nfs/dbraw/zinc/29/33/01/1173293301.db2.gz ANSACHJHHGINTR-HOTGVXAUSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001671915971 1173722507 /nfs/dbraw/zinc/72/25/07/1173722507.db2.gz CFBCYGUMPHWQRL-RDJZCZTQSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001671915971 1173722511 /nfs/dbraw/zinc/72/25/11/1173722511.db2.gz CFBCYGUMPHWQRL-RDJZCZTQSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001673492180 1173865354 /nfs/dbraw/zinc/86/53/54/1173865354.db2.gz ZENNKYVOELFWNJ-IYBDPMFKSA-N 1 3 293.455 1.663 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001690486071 1175481321 /nfs/dbraw/zinc/48/13/21/1175481321.db2.gz UFOPJMMUZNRYBH-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C[NH+](C)CC1CCC(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424200487 330326557 /nfs/dbraw/zinc/32/65/57/330326557.db2.gz ZOPITWLNEUBHDW-JXQTWKCFSA-N 1 3 280.416 1.244 10 30 CDEEHO C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001268364279 1159902590 /nfs/dbraw/zinc/90/25/90/1159902590.db2.gz BZBDLWKZGSKJMD-GJZGRUSLSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)CN(C)CCC)C1CCCC1 ZINC001484011989 1161245837 /nfs/dbraw/zinc/24/58/37/1161245837.db2.gz FVDMZQCPKWPLCI-OAHLLOKOSA-N 1 3 279.428 1.226 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001714569665 1179226758 /nfs/dbraw/zinc/22/67/58/1179226758.db2.gz ANDSLDPCNKDTDW-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001716849946 1180438385 /nfs/dbraw/zinc/43/83/85/1180438385.db2.gz HWKVEXPVORPLNW-ZFWWWQNUSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCN1CC[C@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001716849946 1180438389 /nfs/dbraw/zinc/43/83/89/1180438389.db2.gz HWKVEXPVORPLNW-ZFWWWQNUSA-N 1 3 265.401 1.095 10 30 CDEEHO CCN1CCN(Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608714 521689384 /nfs/dbraw/zinc/68/93/84/521689384.db2.gz JAJLBPADNKRAGR-UHFFFAOYSA-N 1 3 257.381 1.134 10 30 CDEEHO C=C(C)CN(CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001691222827 1158964948 /nfs/dbraw/zinc/96/49/48/1158964948.db2.gz JSPUTKVIMOEYMA-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000877269594 1166008138 /nfs/dbraw/zinc/00/81/38/1166008138.db2.gz AOFVMELHFNYLQT-DGCLKSJQSA-N 1 3 293.798 1.621 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001567861147 1169026774 /nfs/dbraw/zinc/02/67/74/1169026774.db2.gz LCVCIFQAOFDGPE-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001568532681 1169352114 /nfs/dbraw/zinc/35/21/14/1169352114.db2.gz HVASTEUTGCHBSZ-GJZGRUSLSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001569854709 1170018710 /nfs/dbraw/zinc/01/87/10/1170018710.db2.gz FCKXJIAMKPYMMY-GJZGRUSLSA-N 1 3 279.428 1.034 10 30 CDEEHO C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001662351441 1172535931 /nfs/dbraw/zinc/53/59/31/1172535931.db2.gz VYGYVAKKMOZIPP-HUUCEWRRSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCN(C(=O)CCC[NH+](C)C)C1CCN(CC=C)CC1 ZINC001671486840 1173683910 /nfs/dbraw/zinc/68/39/10/1173683910.db2.gz FZMVZTNYKLURMO-UHFFFAOYSA-N 1 3 291.439 1.440 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001673492180 1173865347 /nfs/dbraw/zinc/86/53/47/1173865347.db2.gz ZENNKYVOELFWNJ-IYBDPMFKSA-N 1 3 293.455 1.663 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001689265565 1175132975 /nfs/dbraw/zinc/13/29/75/1175132975.db2.gz XRUFKMKDOHVZKB-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCCN1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001698579187 1175855426 /nfs/dbraw/zinc/85/54/26/1175855426.db2.gz XCSZQRZMKPFJRJ-INIZCTEOSA-N 1 3 291.439 1.418 10 30 CDEEHO C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001698712955 1175901902 /nfs/dbraw/zinc/90/19/02/1175901902.db2.gz IAEQJILJUBKLPF-JYJNAYRXSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001698951687 1175994310 /nfs/dbraw/zinc/99/43/10/1175994310.db2.gz GHMHIFZUYJEJFW-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001699554340 1176472121 /nfs/dbraw/zinc/47/21/21/1176472121.db2.gz ORXGAOKNZBPBEF-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCC[NH+]1CCC(C)(NC(=O)CN(C)C(C)C)CC1 ZINC001699774248 1176617520 /nfs/dbraw/zinc/61/75/20/1176617520.db2.gz IZSDSKFNNFHMLI-UHFFFAOYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001699970009 1176701725 /nfs/dbraw/zinc/70/17/25/1176701725.db2.gz NTLFAOSHANUZRN-GJZGRUSLSA-N 1 3 281.444 1.587 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001700126275 1176758714 /nfs/dbraw/zinc/75/87/14/1176758714.db2.gz HWLWVSCUFSOGML-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001700779999 1177129340 /nfs/dbraw/zinc/12/93/40/1177129340.db2.gz HORBMSMNJYNRIE-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001713418257 1178549167 /nfs/dbraw/zinc/54/91/67/1178549167.db2.gz AYLRLCZQYNUCAS-HZPDHXFCSA-N 1 3 293.455 1.757 10 30 CDEEHO C#CC[NH2+]C[C@@]1(NC(=O)CN(C)C(C)C)CCCC[C@H]1C ZINC001714184633 1179007330 /nfs/dbraw/zinc/00/73/30/1179007330.db2.gz BGHKCILAQYEYNE-WBVHZDCISA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001714553126 1179208717 /nfs/dbraw/zinc/20/87/17/1179208717.db2.gz KEYDJSDWJDVVOQ-UHFFFAOYSA-N 1 3 279.428 1.487 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001715225980 1179585457 /nfs/dbraw/zinc/58/54/57/1179585457.db2.gz DTPMTXNURVUTMB-CABCVRRESA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001715318922 1179621037 /nfs/dbraw/zinc/62/10/37/1179621037.db2.gz ZEWIHERUXFVDOC-UONOGXRCSA-N 1 3 288.395 1.192 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001715830292 1179854130 /nfs/dbraw/zinc/85/41/30/1179854130.db2.gz YKAWUWFSPSJBDZ-LSDHHAIUSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001715830292 1179854140 /nfs/dbraw/zinc/85/41/40/1179854140.db2.gz YKAWUWFSPSJBDZ-LSDHHAIUSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)C[NH2+]C/C=C/CNC(=O)C1(N(C)C)CCC1 ZINC001715830105 1179855321 /nfs/dbraw/zinc/85/53/21/1179855321.db2.gz XLJIXOSCNMIMBQ-AATRIKPKSA-N 1 3 265.401 1.309 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001715878576 1179891013 /nfs/dbraw/zinc/89/10/13/1179891013.db2.gz PRVKUNCNKFKVLY-LQYUOIDQSA-N 1 3 277.412 1.145 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715878576 1179891022 /nfs/dbraw/zinc/89/10/22/1179891022.db2.gz PRVKUNCNKFKVLY-LQYUOIDQSA-N 1 3 277.412 1.145 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)CCC ZINC001716072785 1180031685 /nfs/dbraw/zinc/03/16/85/1180031685.db2.gz HHIROUIDTBDUSU-GJZGRUSLSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717376037 1180635334 /nfs/dbraw/zinc/63/53/34/1180635334.db2.gz IZIWHHVPTXGUCL-KGLIPLIRSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001717376037 1180635341 /nfs/dbraw/zinc/63/53/41/1180635341.db2.gz IZIWHHVPTXGUCL-KGLIPLIRSA-N 1 3 265.401 1.047 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001723297259 1181533684 /nfs/dbraw/zinc/53/36/84/1181533684.db2.gz FMPUBMRAZYPZSM-HOTGVXAUSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001724249834 1181658122 /nfs/dbraw/zinc/65/81/22/1181658122.db2.gz JUSKVEORJXIPOW-INIZCTEOSA-N 1 3 290.411 1.747 10 30 CDEEHO C#CC[NH2+][C@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001725210977 1181924361 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C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001733929041 1183571573 /nfs/dbraw/zinc/57/15/73/1183571573.db2.gz MJARHTUWSGSYFH-INIZCTEOSA-N 1 3 291.439 1.417 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001734395632 1183761889 /nfs/dbraw/zinc/76/18/89/1183761889.db2.gz OJRQDVBXGYZFGD-UKRRQHHQSA-N 1 3 279.428 1.626 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000876731335 769317935 /nfs/dbraw/zinc/31/79/35/769317935.db2.gz IMZRRCDAMQAJTJ-DGCLKSJQSA-N 1 3 287.835 1.695 10 30 CDEEHO CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCCN1C ZINC000262013752 772144305 /nfs/dbraw/zinc/14/43/05/772144305.db2.gz VEPFSOVSHSWIOE-HNNXBMFYSA-N 1 3 274.412 1.788 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000876742849 772425753 /nfs/dbraw/zinc/42/57/53/772425753.db2.gz XKZZHRAWEFWSJK-QWHCGFSZSA-N 1 3 285.819 1.543 10 30 CDEEHO CC[NH+]=C(NC1CCC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261972906 772554760 /nfs/dbraw/zinc/55/47/60/772554760.db2.gz 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C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001438427893 963445192 /nfs/dbraw/zinc/44/51/92/963445192.db2.gz DULJPOQPUWIJKS-SWLSCSKDSA-N 1 3 299.846 1.565 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001515597358 969904325 /nfs/dbraw/zinc/90/43/25/969904325.db2.gz DFTORSIQBNBQHZ-RFQIPJPRSA-N 1 3 265.401 1.126 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001515597358 969904329 /nfs/dbraw/zinc/90/43/29/969904329.db2.gz DFTORSIQBNBQHZ-RFQIPJPRSA-N 1 3 265.401 1.126 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001502246447 974718908 /nfs/dbraw/zinc/71/89/08/974718908.db2.gz UZOMSLTZRPXIPX-MRXNPFEDSA-N 1 3 291.439 1.132 10 30 CDEEHO C=CCC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001505836873 974998244 /nfs/dbraw/zinc/99/82/44/974998244.db2.gz KGAHFAQPOSPMMT-UHFFFAOYSA-N 1 3 278.400 1.603 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001507402248 975453861 /nfs/dbraw/zinc/45/38/61/975453861.db2.gz XCAQITYTPJISSA-GJZGRUSLSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)C ZINC001677301786 1174346903 /nfs/dbraw/zinc/34/69/03/1174346903.db2.gz JWSOYFPMUXPUNB-CYBMUJFWSA-N 1 3 278.400 1.567 10 30 CDEEHO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001569915635 1170036081 /nfs/dbraw/zinc/03/60/81/1170036081.db2.gz SYQMXLYGUOAUCN-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001570015715 1170060185 /nfs/dbraw/zinc/06/01/85/1170060185.db2.gz OLUNHYBKMHOZBX-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001571494125 1170453805 /nfs/dbraw/zinc/45/38/05/1170453805.db2.gz ZVBAWAYBQPYIJL-STQMWFEESA-N 1 3 253.390 1.092 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000594438821 342906319 /nfs/dbraw/zinc/90/63/19/342906319.db2.gz MBBLTEUTCSOOIQ-SOUVJXGZSA-N 1 3 292.427 1.388 10 30 CDEEHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000594438586 342906413 /nfs/dbraw/zinc/90/64/13/342906413.db2.gz OMXZJTOAPNOELL-ZIAGYGMSSA-N 1 3 280.416 1.388 10 30 CDEEHO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000594438586 342906414 /nfs/dbraw/zinc/90/64/14/342906414.db2.gz OMXZJTOAPNOELL-ZIAGYGMSSA-N 1 3 280.416 1.388 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000594439498 342906685 /nfs/dbraw/zinc/90/66/85/342906685.db2.gz RHXUWYQWWLSATP-OAHLLOKOSA-N 1 3 288.395 1.385 10 30 CDEEHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCCC#N)[C@@H](C)C1 ZINC000594439645 342906752 /nfs/dbraw/zinc/90/67/52/342906752.db2.gz TZYJFZPZGKVFGJ-ZNMIVQPWSA-N 1 3 294.443 1.586 10 30 CDEEHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCCC#N)[C@@H](C)C1 ZINC000594439645 342906753 /nfs/dbraw/zinc/90/67/53/342906753.db2.gz TZYJFZPZGKVFGJ-ZNMIVQPWSA-N 1 3 294.443 1.586 10 30 CDEEHO CCC[NH+]1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594440594 342907116 /nfs/dbraw/zinc/90/71/16/342907116.db2.gz GTMVHXJZLHPMHV-AWEZNQCLSA-N 1 3 280.416 1.388 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000594440741 342907332 /nfs/dbraw/zinc/90/73/32/342907332.db2.gz INVYCFINDSSNIH-BFHYXJOUSA-N 1 3 278.400 1.141 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000594440741 342907334 /nfs/dbraw/zinc/90/73/34/342907334.db2.gz INVYCFINDSSNIH-BFHYXJOUSA-N 1 3 278.400 1.141 10 30 CDEEHO N#CC1(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCCCC1 ZINC000594740567 342951580 /nfs/dbraw/zinc/95/15/80/342951580.db2.gz YZGURMDHDUEPKU-CQSZACIVSA-N 1 3 292.427 1.247 10 30 CDEEHO N#Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000600768890 349878573 /nfs/dbraw/zinc/87/85/73/349878573.db2.gz HOSVVIAPLNOAJY-ZENOOKHLSA-N 1 3 289.379 1.870 10 30 CDEEHO C=CC(C)(C)CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000637320966 359713877 /nfs/dbraw/zinc/71/38/77/359713877.db2.gz CMKIQYAXYIZHNB-UHFFFAOYSA-N 1 3 298.475 1.724 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626970286 367107957 /nfs/dbraw/zinc/10/79/57/367107957.db2.gz JKMHFTAHJNLMQO-OCCSQVGLSA-N 1 3 280.416 1.077 10 30 CDEEHO C=C(C)CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001663768426 1172760533 /nfs/dbraw/zinc/76/05/33/1172760533.db2.gz DSWKFKHQTIXSGT-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001663768426 1172760535 /nfs/dbraw/zinc/76/05/35/1172760535.db2.gz DSWKFKHQTIXSGT-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001664756192 1172904697 /nfs/dbraw/zinc/90/46/97/1172904697.db2.gz NQFGBFYNYRDJSF-GMRIPVOYSA-N 1 3 294.439 1.953 10 30 CDEEHO CC(C)CN1CCCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000160819756 264262101 /nfs/dbraw/zinc/26/21/01/264262101.db2.gz ZTQOEGGIXHRBBG-AWEZNQCLSA-N 1 3 268.449 1.976 10 30 CDEEHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000171725545 329079216 /nfs/dbraw/zinc/07/92/16/329079216.db2.gz FFRKJPAAZKZCKZ-AWEZNQCLSA-N 1 3 280.416 1.030 10 30 CDEEHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000171725545 329079218 /nfs/dbraw/zinc/07/92/18/329079218.db2.gz FFRKJPAAZKZCKZ-AWEZNQCLSA-N 1 3 280.416 1.030 10 30 CDEEHO N#CCCC[C@@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000424169716 330312149 /nfs/dbraw/zinc/31/21/49/330312149.db2.gz HGAUTRUJFUUZLD-JXQTWKCFSA-N 1 3 278.400 1.141 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001267204425 1159174914 /nfs/dbraw/zinc/17/49/14/1159174914.db2.gz BLEUKIGBQRHATD-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001267204425 1159174919 /nfs/dbraw/zinc/17/49/19/1159174919.db2.gz BLEUKIGBQRHATD-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1CC ZINC001700735374 1160798126 /nfs/dbraw/zinc/79/81/26/1160798126.db2.gz BHZMZRPUIXZTGA-CVEARBPZSA-N 1 3 291.439 1.321 10 30 CDEEHO CN1CCC([N@H+](C)Cc2ccc(C#CCN)cc2)CC1 ZINC000049608599 523203444 /nfs/dbraw/zinc/20/34/44/523203444.db2.gz FIDZTBYZAGUBRW-UHFFFAOYSA-N 1 3 271.408 1.523 10 30 CDEEHO CN1CCC([N@@H+](C)Cc2ccc(C#CCN)cc2)CC1 ZINC000049608599 523203453 /nfs/dbraw/zinc/20/34/53/523203453.db2.gz FIDZTBYZAGUBRW-UHFFFAOYSA-N 1 3 271.408 1.523 10 30 CDEEHO COc1ccc(C#CC[NH3+])cc1CN1CCC[C@H](CO)C1 ZINC000049608324 523514667 /nfs/dbraw/zinc/51/46/67/523514667.db2.gz WXOQWIQVWPJHNK-HNNXBMFYSA-N 1 3 288.391 1.210 10 30 CDEEHO C[C@H](C[C@](C)(N)C#N)N1CCC(C[NH+]2CCCC2)CC1 ZINC000068615385 524653196 /nfs/dbraw/zinc/65/31/96/524653196.db2.gz LBXDLBZJBCKFKO-ZBFHGGJFSA-N 1 3 278.444 1.814 10 30 CDEEHO NCC#Cc1csc(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052763103 527156411 /nfs/dbraw/zinc/15/64/11/527156411.db2.gz XRCMCLYPVNWXPQ-CQSZACIVSA-N 1 3 278.421 1.795 10 30 CDEEHO NCC#Cc1csc(C[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052763103 527156415 /nfs/dbraw/zinc/15/64/15/527156415.db2.gz XRCMCLYPVNWXPQ-CQSZACIVSA-N 1 3 278.421 1.795 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941220807 613599854 /nfs/dbraw/zinc/59/98/54/613599854.db2.gz IDPXFIKZEPWZTD-CABCVRRESA-N 1 3 291.439 1.178 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941220807 613599856 /nfs/dbraw/zinc/59/98/56/613599856.db2.gz IDPXFIKZEPWZTD-CABCVRRESA-N 1 3 291.439 1.178 10 30 CDEEHO C[C@H](NCC1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902794450 625413239 /nfs/dbraw/zinc/41/32/39/625413239.db2.gz VZKVVWLMNMQXBF-LBPRGKRZSA-N 1 3 258.369 1.946 10 30 CDEEHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902839269 625492557 /nfs/dbraw/zinc/49/25/57/625492557.db2.gz PWLPINIKAFNVHM-UKRRQHHQSA-N 1 3 290.411 1.961 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)N(C)C ZINC001268083977 1159782786 /nfs/dbraw/zinc/78/27/86/1159782786.db2.gz DGJDQDPLSPDUCW-KGLIPLIRSA-N 1 3 269.433 1.729 10 30 CDEEHO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001700735377 1160798585 /nfs/dbraw/zinc/79/85/85/1160798585.db2.gz BHZMZRPUIXZTGA-JKSUJKDBSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)CCN1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483676711 1161055159 /nfs/dbraw/zinc/05/51/59/1161055159.db2.gz POKBOKCZAGAXLS-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001628376369 1166067426 /nfs/dbraw/zinc/06/74/26/1166067426.db2.gz VJWYGFBNRGXEGQ-ZDUSSCGKSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001568236988 1169193568 /nfs/dbraw/zinc/19/35/68/1169193568.db2.gz KAVXNVCPZDKEIL-UHFFFAOYSA-N 1 3 277.412 1.123 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001570542284 1170183492 /nfs/dbraw/zinc/18/34/92/1170183492.db2.gz QTRDANRWUGFOOP-CQSZACIVSA-N 1 3 276.384 1.451 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001570542284 1170183496 /nfs/dbraw/zinc/18/34/96/1170183496.db2.gz QTRDANRWUGFOOP-CQSZACIVSA-N 1 3 276.384 1.451 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001661748815 1172441469 /nfs/dbraw/zinc/44/14/69/1172441469.db2.gz YDIBTRSNMPOUKT-CABCVRRESA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001661748815 1172441474 /nfs/dbraw/zinc/44/14/74/1172441474.db2.gz YDIBTRSNMPOUKT-CABCVRRESA-N 1 3 281.444 1.587 10 30 CDEEHO C#CCC[NH2+]CCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001676013792 1174173945 /nfs/dbraw/zinc/17/39/45/1174173945.db2.gz ROVGBJQWULPNAJ-GFCCVEGCSA-N 1 3 276.384 1.158 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001690301962 1175432154 /nfs/dbraw/zinc/43/21/54/1175432154.db2.gz QUXAFIYFHZZGMA-JOCQHMNTSA-N 1 3 253.390 1.140 10 30 CDEEHO C=CCC[NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001699108218 1176097326 /nfs/dbraw/zinc/09/73/26/1176097326.db2.gz ZCRMSRMZNZDYNS-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001699533198 1176465925 /nfs/dbraw/zinc/46/59/25/1176465925.db2.gz FOTWWTQZRBWCNR-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001699934122 1176686682 /nfs/dbraw/zinc/68/66/82/1176686682.db2.gz JZGNXLBCVZBYJJ-LSDHHAIUSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CC[NH2+][C@H](CCN(C)C(=O)[C@H](CC)N(C)C)C(C)C ZINC001700505894 1176986142 /nfs/dbraw/zinc/98/61/42/1176986142.db2.gz HXNMJBJCEZDHAN-CABCVRRESA-N 1 3 281.444 1.423 10 30 CDEEHO C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCCN1CC)C(C)C ZINC001700714694 1177088653 /nfs/dbraw/zinc/08/86/53/1177088653.db2.gz OFLFVAOFRPPHSS-HZPDHXFCSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001700769050 1177123635 /nfs/dbraw/zinc/12/36/35/1177123635.db2.gz VNLNHYKIXQLSGR-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001713599471 1178676361 /nfs/dbraw/zinc/67/63/61/1178676361.db2.gz CNLLNBMSOVIHQV-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001714106428 1178976340 /nfs/dbraw/zinc/97/63/40/1178976340.db2.gz LZAGKPUEWOEEOZ-CZUORRHYSA-N 1 3 299.434 1.869 10 30 CDEEHO C#CC[NH2+]C[C@]1(NC(=O)CN(C)C(C)C)CCCC[C@@H]1C ZINC001714184630 1179005979 /nfs/dbraw/zinc/00/59/79/1179005979.db2.gz BGHKCILAQYEYNE-DOTOQJQBSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001714390074 1179120101 /nfs/dbraw/zinc/12/01/01/1179120101.db2.gz BLBGOHFJUOUVCE-CABCVRRESA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CCNCCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001714729292 1179363262 /nfs/dbraw/zinc/36/32/62/1179363262.db2.gz XEIYLRLMSQFTPD-UHFFFAOYSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CCNCCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001714729292 1179363270 /nfs/dbraw/zinc/36/32/70/1179363270.db2.gz XEIYLRLMSQFTPD-UHFFFAOYSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001717240212 1180587371 /nfs/dbraw/zinc/58/73/71/1180587371.db2.gz OBAJZSFJKUCYSZ-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001723982301 1181627613 /nfs/dbraw/zinc/62/76/13/1181627613.db2.gz VWECCMMJPLPYDS-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001725004070 1181822695 /nfs/dbraw/zinc/82/26/95/1181822695.db2.gz VFKHPHQHEFGKHV-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001725004070 1181822698 /nfs/dbraw/zinc/82/26/98/1181822698.db2.gz VFKHPHQHEFGKHV-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001725602732 1182070920 /nfs/dbraw/zinc/07/09/20/1182070920.db2.gz FSDKVQXWGVVMKX-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C#CCN1CCC(C2(NC(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001725795853 1182133326 /nfs/dbraw/zinc/13/33/26/1182133326.db2.gz BOSCHEJKGHWASP-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN1CCC(C2(NC(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001725795853 1182133332 /nfs/dbraw/zinc/13/33/32/1182133332.db2.gz BOSCHEJKGHWASP-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[C@H](C)[NH+]1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001732126980 1182790873 /nfs/dbraw/zinc/79/08/73/1182790873.db2.gz SRFHAYMOWDSAQR-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001733027332 1183244899 /nfs/dbraw/zinc/24/48/99/1183244899.db2.gz LNYSQJKEUBQAIW-KBPBESRZSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CCN(C(=O)CC[N@@H+](C)CC)C1CCN(CC=C)CC1 ZINC001733373715 1183412158 /nfs/dbraw/zinc/41/21/58/1183412158.db2.gz HATQOBXBOKBEJT-UHFFFAOYSA-N 1 3 291.439 1.440 10 30 CDEEHO C#CCN(C(=O)CC[N@H+](C)CC)C1CCN(CC=C)CC1 ZINC001733373715 1183412161 /nfs/dbraw/zinc/41/21/61/1183412161.db2.gz HATQOBXBOKBEJT-UHFFFAOYSA-N 1 3 291.439 1.440 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001733675617 1183494379 /nfs/dbraw/zinc/49/43/79/1183494379.db2.gz GVYPHFWVZYGHHO-CVEARBPZSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)[C@@H](F)CN(CC)CC)CCC1 ZINC001733716341 1183506456 /nfs/dbraw/zinc/50/64/56/1183506456.db2.gz RLLOXAKKAHLLIE-AWEZNQCLSA-N 1 3 297.418 1.318 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001733940309 1183577238 /nfs/dbraw/zinc/57/72/38/1183577238.db2.gz VICWXIBVWSLTHF-HNNXBMFYSA-N 1 3 279.428 1.581 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001733940309 1183577233 /nfs/dbraw/zinc/57/72/33/1183577233.db2.gz VICWXIBVWSLTHF-HNNXBMFYSA-N 1 3 279.428 1.581 10 30 CDEEHO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001734215440 1183694401 /nfs/dbraw/zinc/69/44/01/1183694401.db2.gz PSKARERPIWZDFY-BZUAXINKSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CCNC(=O)[C@@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248892 775964034 /nfs/dbraw/zinc/96/40/34/775964034.db2.gz XTYZNOJLYCRBFY-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000876925442 775995773 /nfs/dbraw/zinc/99/57/73/775995773.db2.gz GAOWFFBMSOWTNR-NEPJUHHUSA-N 1 3 279.771 1.373 10 30 CDEEHO C=CCC[C@H](O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931311544 776181925 /nfs/dbraw/zinc/18/19/25/776181925.db2.gz RLHMWWVNGHPCOF-RRFJBIMHSA-N 1 3 252.402 1.587 10 30 CDEEHO C=CCN(CC(=O)NC1CC[NH+](C)CC1)C(C)(C)C ZINC000878949863 776321641 /nfs/dbraw/zinc/32/16/41/776321641.db2.gz LOIVMISCYMMNMD-UHFFFAOYSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000876793334 776703645 /nfs/dbraw/zinc/70/36/45/776703645.db2.gz CAZBJARLRYEYJW-LLVKDONJSA-N 1 3 280.759 1.136 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000876927935 777554659 /nfs/dbraw/zinc/55/46/59/777554659.db2.gz PBLVDOIQCCKXAD-QTKMDUPCSA-N 1 3 273.808 1.288 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000876723738 777869056 /nfs/dbraw/zinc/86/90/56/777869056.db2.gz GMWOXRILESSVBE-NWDGAFQWSA-N 1 3 273.808 1.447 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@H]2NCCc3ccccc32)CCC[NH2+]1 ZINC000852879591 778912841 /nfs/dbraw/zinc/91/28/41/778912841.db2.gz FROZUGLQCOWOOB-SJLPKXTDSA-N 1 3 299.418 1.688 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000876773028 779031457 /nfs/dbraw/zinc/03/14/57/779031457.db2.gz LWRNGBAKANXLKH-UONOGXRCSA-N 1 3 299.846 1.791 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000876970342 779077467 /nfs/dbraw/zinc/07/74/67/779077467.db2.gz PCCUTCMTSXYVKC-STQMWFEESA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000876742924 779467975 /nfs/dbraw/zinc/46/79/75/779467975.db2.gz UWWASJPFNRTACI-ZDUSSCGKSA-N 1 3 287.835 1.837 10 30 CDEEHO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001568685408 1167539461 /nfs/dbraw/zinc/53/94/61/1167539461.db2.gz WZMFHTUTVKHOBV-CABCVRRESA-N 1 3 279.428 1.367 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001566764361 1168412720 /nfs/dbraw/zinc/41/27/20/1168412720.db2.gz BPRFSHXGPDZFTJ-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001566764361 1168412723 /nfs/dbraw/zinc/41/27/23/1168412723.db2.gz BPRFSHXGPDZFTJ-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001266492706 895044357 /nfs/dbraw/zinc/04/43/57/895044357.db2.gz VCWPLUWCFTVWHM-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001266492706 895044367 /nfs/dbraw/zinc/04/43/67/895044367.db2.gz VCWPLUWCFTVWHM-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266545961 895301525 /nfs/dbraw/zinc/30/15/25/895301525.db2.gz RWTFEWLPCCOBPF-ZIAGYGMSSA-N 1 3 267.417 1.197 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266545961 895301542 /nfs/dbraw/zinc/30/15/42/895301542.db2.gz RWTFEWLPCCOBPF-ZIAGYGMSSA-N 1 3 267.417 1.197 10 30 CDEEHO C=CCC[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001267199271 897122704 /nfs/dbraw/zinc/12/27/04/897122704.db2.gz KLAOTEGHCWDIRN-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCC[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001267199271 897122700 /nfs/dbraw/zinc/12/27/00/897122700.db2.gz KLAOTEGHCWDIRN-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001267217062 897179964 /nfs/dbraw/zinc/17/99/64/897179964.db2.gz WWFBLSRGHYGNCP-ZBFHGGJFSA-N 1 3 295.471 1.975 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)[C@H](CC)N(C)C ZINC001267430067 897900553 /nfs/dbraw/zinc/90/05/53/897900553.db2.gz JWCPHTPYJQOAJM-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@H](F)CN(CC)CC)CCCC1 ZINC001268035607 900690383 /nfs/dbraw/zinc/69/03/83/900690383.db2.gz OBBYQLNGKPZQTL-CQSZACIVSA-N 1 3 297.418 1.318 10 30 CDEEHO C#CCCN1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001567769812 1168960538 /nfs/dbraw/zinc/96/05/38/1168960538.db2.gz SMSGHTLUFUCBAO-MRXNPFEDSA-N 1 3 291.439 1.466 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001268427335 902042133 /nfs/dbraw/zinc/04/21/33/902042133.db2.gz WABLLOZXBXJHFC-GJZGRUSLSA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001482068353 902603350 /nfs/dbraw/zinc/60/33/50/902603350.db2.gz KGCFGNLUYAKAET-HZPDHXFCSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001268582108 902664824 /nfs/dbraw/zinc/66/48/24/902664824.db2.gz GAKWEDJTJLGGBE-IYKSTZQJSA-N 1 3 277.412 1.004 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001268582108 902664831 /nfs/dbraw/zinc/66/48/31/902664831.db2.gz GAKWEDJTJLGGBE-IYKSTZQJSA-N 1 3 277.412 1.004 10 30 CDEEHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001269331445 903700790 /nfs/dbraw/zinc/70/07/90/903700790.db2.gz KHHYUCHXENCRFT-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[NH2+][C@H](CC)CNC(=O)C(C)(C)N1CCCCC1 ZINC001269403461 903779750 /nfs/dbraw/zinc/77/97/50/903779750.db2.gz WMHSXVFNIQLVMD-OAHLLOKOSA-N 1 3 293.455 1.759 10 30 CDEEHO C#CCCN1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567842700 1169011237 /nfs/dbraw/zinc/01/12/37/1169011237.db2.gz QLALBMKBLJFECD-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1CC ZINC001483623314 911827546 /nfs/dbraw/zinc/82/75/46/911827546.db2.gz IHCKFJQFNVBEEB-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001484466508 915794068 /nfs/dbraw/zinc/79/40/68/915794068.db2.gz UKRLPYGKSNVISL-JKSUJKDBSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CCC ZINC001484466508 915794077 /nfs/dbraw/zinc/79/40/77/915794077.db2.gz UKRLPYGKSNVISL-JKSUJKDBSA-N 1 3 291.439 1.417 10 30 CDEEHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCC)C[C@@H]2C1 ZINC001485656964 917164543 /nfs/dbraw/zinc/16/45/43/917164543.db2.gz HEKUMASHKWKJOE-XHSDSOJGSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCC)C[C@@H]2C1 ZINC001485656964 917164556 /nfs/dbraw/zinc/16/45/56/917164556.db2.gz HEKUMASHKWKJOE-XHSDSOJGSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001485827206 918944825 /nfs/dbraw/zinc/94/48/25/918944825.db2.gz ONYZRTJBQCIZNE-ZBFHGGJFSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001275185437 931692270 /nfs/dbraw/zinc/69/22/70/931692270.db2.gz UYUKFMHQBYIYDU-LBPRGKRZSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001275334988 931737439 /nfs/dbraw/zinc/73/74/39/931737439.db2.gz WCZCOTFUHNRUFM-KBPBESRZSA-N 1 3 267.417 1.530 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001277092299 941941846 /nfs/dbraw/zinc/94/18/46/941941846.db2.gz AHTOQEWQUIIISW-JYJNAYRXSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001263872301 944015384 /nfs/dbraw/zinc/01/53/84/944015384.db2.gz HIOKBIZJTNBYKR-KKUMJFAQSA-N 1 3 279.428 1.389 10 30 CDEEHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001263919914 944031886 /nfs/dbraw/zinc/03/18/86/944031886.db2.gz LKESAXGHFNRFKW-ZNMIVQPWSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001263927601 944034849 /nfs/dbraw/zinc/03/48/49/944034849.db2.gz KXEAGJIODZRIMX-RRFJBIMHSA-N 1 3 279.428 1.080 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001265358793 944358434 /nfs/dbraw/zinc/35/84/34/944358434.db2.gz QLSHTNZBRTZDBY-HOTGVXAUSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001480088482 971572224 /nfs/dbraw/zinc/57/22/24/971572224.db2.gz IXDQZGHWUFMQDZ-GJZGRUSLSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001480088482 971572231 /nfs/dbraw/zinc/57/22/31/971572231.db2.gz IXDQZGHWUFMQDZ-GJZGRUSLSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001569136615 1169681465 /nfs/dbraw/zinc/68/14/65/1169681465.db2.gz VWXGUUHFWFXYSR-ZIAGYGMSSA-N 1 3 269.433 1.585 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001569136615 1169681472 /nfs/dbraw/zinc/68/14/72/1169681472.db2.gz VWXGUUHFWFXYSR-ZIAGYGMSSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001325597227 953978015 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ZINC001366465836 956853342 /nfs/dbraw/zinc/85/33/42/956853342.db2.gz AQZCFJRNSUHLRN-NWDGAFQWSA-N 1 3 275.824 1.564 10 30 CDEEHO C#CC[N@H+]1CC[C@@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001317802762 957670868 /nfs/dbraw/zinc/67/08/68/957670868.db2.gz ZBMHPXYXNVIAEM-OAHLLOKOSA-N 1 3 293.455 1.426 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001317802762 957670873 /nfs/dbraw/zinc/67/08/73/957670873.db2.gz ZBMHPXYXNVIAEM-OAHLLOKOSA-N 1 3 293.455 1.426 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)CN1CC[C@H](C)C1 ZINC001495058026 972391967 /nfs/dbraw/zinc/39/19/67/972391967.db2.gz MAYRGQHNISXHDR-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO C=C(Cl)CNCCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001322678179 960293298 /nfs/dbraw/zinc/29/32/98/960293298.db2.gz MCPCDBSOPZEGHU-UHFFFAOYSA-N 1 3 287.835 1.519 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]C(C)C)C2CC2)CC1 ZINC001323112748 960463205 /nfs/dbraw/zinc/46/32/05/960463205.db2.gz KQRJEFDLHZBZDC-MRXNPFEDSA-N 1 3 291.439 1.224 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC001344470386 964322047 /nfs/dbraw/zinc/32/20/47/964322047.db2.gz HGPVTHSIDUFXRC-DZGCQCFKSA-N 1 3 287.407 1.834 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H](C)CC[NH+](C)C ZINC001556467077 965046251 /nfs/dbraw/zinc/04/62/51/965046251.db2.gz YOACAKKWBJIMMV-CQSZACIVSA-N 1 3 269.433 1.541 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001357999534 969677701 /nfs/dbraw/zinc/67/77/01/969677701.db2.gz HOKYENBTKKCWSI-AVGNSLFASA-N 1 3 251.374 1.023 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001523567951 970734430 /nfs/dbraw/zinc/73/44/30/970734430.db2.gz SJZVLWANEFLMNW-CYBMUJFWSA-N 1 3 269.433 1.716 10 30 CDEEHO C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001498526231 973968457 /nfs/dbraw/zinc/96/84/57/973968457.db2.gz MURJOVVAEWISTK-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001502342555 974721556 /nfs/dbraw/zinc/72/15/56/974721556.db2.gz YVABNAVFNJWNSJ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/25/41/92/975254192.db2.gz GXNDSTQBGDOOKA-KBUPBQIOSA-N 1 3 279.428 1.530 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507090158 975332273 /nfs/dbraw/zinc/33/22/73/975332273.db2.gz PHJJMQJBPNLGJI-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001507324894 975415892 /nfs/dbraw/zinc/41/58/92/975415892.db2.gz CYZXMYQAKOEPRE-YPMHNXCESA-N 1 3 262.357 1.107 10 30 CDEEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CCCCC#N ZINC000594436715 342899970 /nfs/dbraw/zinc/89/99/70/342899970.db2.gz FWIUEIDHVPWVEJ-ILXRZTDVSA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CCCCC#N ZINC000594436715 342899972 /nfs/dbraw/zinc/89/99/72/342899972.db2.gz FWIUEIDHVPWVEJ-ILXRZTDVSA-N 1 3 294.443 1.634 10 30 CDEEHO CCC(CC)(C[NH3+])NC(=O)[C@H](N)CCCCC#N ZINC000594426878 342904661 /nfs/dbraw/zinc/90/46/61/342904661.db2.gz RKTRAEHLDSSTLN-LLVKDONJSA-N 1 3 254.378 1.031 10 30 CDEEHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594439638 342906559 /nfs/dbraw/zinc/90/65/59/342906559.db2.gz TUWJICFFSSRSDZ-ZIAGYGMSSA-N 1 3 280.416 1.198 10 30 CDEEHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594439638 342906560 /nfs/dbraw/zinc/90/65/60/342906560.db2.gz TUWJICFFSSRSDZ-ZIAGYGMSSA-N 1 3 280.416 1.198 10 30 CDEEHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594438903 342906793 /nfs/dbraw/zinc/90/67/93/342906793.db2.gz MTRMSRGWSPHPLJ-LSDHHAIUSA-N 1 3 294.443 1.588 10 30 CDEEHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594438903 342906794 /nfs/dbraw/zinc/90/67/94/342906794.db2.gz MTRMSRGWSPHPLJ-LSDHHAIUSA-N 1 3 294.443 1.588 10 30 CDEEHO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](N)CCCCC#N ZINC000594441867 342907721 /nfs/dbraw/zinc/90/77/21/342907721.db2.gz XLPSIKODBBTZBY-ZIAGYGMSSA-N 1 3 280.416 1.388 10 30 CDEEHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)CCCCC#N)C[C@H]1C[NH3+] ZINC000594449561 342909507 /nfs/dbraw/zinc/90/95/07/342909507.db2.gz KIAGZCIKNUYQHZ-RQJABVFESA-N 1 3 280.416 1.229 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000594457219 342911897 /nfs/dbraw/zinc/91/18/97/342911897.db2.gz WPLCWZJTVLJDLV-KKUMJFAQSA-N 1 3 292.427 1.388 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001661971678 1172472305 /nfs/dbraw/zinc/47/23/05/1172472305.db2.gz CAVAVHBLVGJWHX-OAHLLOKOSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001664467252 1172857342 /nfs/dbraw/zinc/85/73/42/1172857342.db2.gz IARNPBBXJUDGHO-HNNXBMFYSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCN1CCC([NH2+]CCCN2CCCCC2)CC1 ZINC000037229339 173049184 /nfs/dbraw/zinc/04/91/84/173049184.db2.gz NUMZJPFKOWMUIC-UHFFFAOYSA-N 1 3 263.429 1.550 10 30 CDEEHO C[NH+](C)CC1CCN(Cc2ccc(C#CCO)s2)CC1 ZINC000043679806 175090176 /nfs/dbraw/zinc/09/01/76/175090176.db2.gz VZEPKSPJIWURKM-UHFFFAOYSA-N 1 3 292.448 1.866 10 30 CDEEHO CN1CCCC[C@H]1CNC(=O)c1cccc(C#CC[NH3+])c1 ZINC000044566229 175208410 /nfs/dbraw/zinc/20/84/10/175208410.db2.gz IBJRHPORFSYFRT-INIZCTEOSA-N 1 3 285.391 1.211 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001666562798 1173151697 /nfs/dbraw/zinc/15/16/97/1173151697.db2.gz BGUQBMSAEZOOLA-CQSZACIVSA-N 1 3 281.444 1.779 10 30 CDEEHO C[N@H+](Cc1ccccc1C#CCN)[C@@H]1CCSC1 ZINC000049608995 523360847 /nfs/dbraw/zinc/36/08/47/523360847.db2.gz IBWAEJAZTVJTPZ-OAHLLOKOSA-N 1 3 260.406 1.934 10 30 CDEEHO C[N@@H+](Cc1ccccc1C#CCN)[C@@H]1CCSC1 ZINC000049608995 523360856 /nfs/dbraw/zinc/36/08/56/523360856.db2.gz IBWAEJAZTVJTPZ-OAHLLOKOSA-N 1 3 260.406 1.934 10 30 CDEEHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C#CCN)s1 ZINC000049561933 524472248 /nfs/dbraw/zinc/47/22/48/524472248.db2.gz IJUAFXNINNGCOE-NSHDSACASA-N 1 3 279.409 1.128 10 30 CDEEHO C=C(CN(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000764588413 575923568 /nfs/dbraw/zinc/92/35/68/575923568.db2.gz WFQYVFHMDTZKJR-CABCVRRESA-N 1 3 279.428 1.578 10 30 CDEEHO C=C(CN(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000764588413 575923570 /nfs/dbraw/zinc/92/35/70/575923570.db2.gz WFQYVFHMDTZKJR-CABCVRRESA-N 1 3 279.428 1.578 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001690296312 1175431038 /nfs/dbraw/zinc/43/10/38/1175431038.db2.gz NWLJIVUUCIDRAA-KBUPBQIOSA-N 1 3 281.444 1.918 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000917136339 632159402 /nfs/dbraw/zinc/15/94/02/632159402.db2.gz AJTMCWSCRQZFAI-OCCSQVGLSA-N 1 3 280.416 1.029 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000917136339 632159409 /nfs/dbraw/zinc/15/94/09/632159409.db2.gz AJTMCWSCRQZFAI-OCCSQVGLSA-N 1 3 280.416 1.029 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001569303433 1169756041 /nfs/dbraw/zinc/75/60/41/1169756041.db2.gz OOVKVUDZWQCOIX-HNNXBMFYSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001571638926 1170500993 /nfs/dbraw/zinc/50/09/93/1170500993.db2.gz BKGFSERGIBAXOB-CQSZACIVSA-N 1 3 281.444 1.470 10 30 CDEEHO CC#CC[NH2+][C@H](CCNC(=O)CN(C)C(C)C)C(C)C ZINC001676179932 1174187165 /nfs/dbraw/zinc/18/71/65/1174187165.db2.gz CVTZQALENPWBFX-OAHLLOKOSA-N 1 3 281.444 1.470 10 30 CDEEHO CC#CC[NH2+][C@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001677032606 1174309640 /nfs/dbraw/zinc/30/96/40/1174309640.db2.gz HHSMZCHEEBJEIY-KGLIPLIRSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001690866905 1175594506 /nfs/dbraw/zinc/59/45/06/1175594506.db2.gz FFOAVWPPYFCPGU-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001698551555 1175835257 /nfs/dbraw/zinc/83/52/57/1175835257.db2.gz DOHNTWNRXZLLOP-CABCVRRESA-N 1 3 299.434 1.823 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001698551555 1175835262 /nfs/dbraw/zinc/83/52/62/1175835262.db2.gz DOHNTWNRXZLLOP-CABCVRRESA-N 1 3 299.434 1.823 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001698620646 1175874853 /nfs/dbraw/zinc/87/48/53/1175874853.db2.gz HHTSKXLYTNACHY-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001698712954 1175901310 /nfs/dbraw/zinc/90/13/10/1175901310.db2.gz IAEQJILJUBKLPF-BZUAXINKSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](CC)N(C)C ZINC001698880675 1175976135 /nfs/dbraw/zinc/97/61/35/1175976135.db2.gz VXIHGICXPLIIDJ-ZIAGYGMSSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001699416657 1176383043 /nfs/dbraw/zinc/38/30/43/1176383043.db2.gz YFZWGCWTNZUOHQ-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001699488132 1176441025 /nfs/dbraw/zinc/44/10/25/1176441025.db2.gz PFQZGACINZBEGY-UONOGXRCSA-N 1 3 288.395 1.158 10 30 CDEEHO C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001700015529 1176718784 /nfs/dbraw/zinc/71/87/84/1176718784.db2.gz DPFXIKIVALURMB-CABCVRRESA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001700015529 1176718792 /nfs/dbraw/zinc/71/87/92/1176718792.db2.gz DPFXIKIVALURMB-CABCVRRESA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001700187143 1176791597 /nfs/dbraw/zinc/79/15/97/1176791597.db2.gz JTHWAJFQFPJITA-JKSUJKDBSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001700187143 1176791600 /nfs/dbraw/zinc/79/16/00/1176791600.db2.gz JTHWAJFQFPJITA-JKSUJKDBSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CC[NH2+]C[C@@H](CCCC)NC(=O)C1(N(C)C)CCC1 ZINC001700519321 1176993782 /nfs/dbraw/zinc/99/37/82/1176993782.db2.gz PZOOZWOOJLIGCT-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001713379952 1178529799 /nfs/dbraw/zinc/52/97/99/1178529799.db2.gz YBWWQLZDAHHJLU-GJZGRUSLSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001713872469 1178806623 /nfs/dbraw/zinc/80/66/23/1178806623.db2.gz QAVDCJGANPIKBB-OAHLLOKOSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001714614134 1179268276 /nfs/dbraw/zinc/26/82/76/1179268276.db2.gz IPCIIPSQLISWBF-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714614134 1179268281 /nfs/dbraw/zinc/26/82/81/1179268281.db2.gz IPCIIPSQLISWBF-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001714635664 1179286454 /nfs/dbraw/zinc/28/64/54/1179286454.db2.gz PERBLTXVBYLTRO-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001714635664 1179286465 /nfs/dbraw/zinc/28/64/65/1179286465.db2.gz PERBLTXVBYLTRO-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCN1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001717840871 1180889265 /nfs/dbraw/zinc/88/92/65/1180889265.db2.gz MHRZYXOUGDHHGY-GDBMZVCRSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN1CC[C@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001717840871 1180889275 /nfs/dbraw/zinc/88/92/75/1180889275.db2.gz MHRZYXOUGDHHGY-GDBMZVCRSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001722913532 1181491736 /nfs/dbraw/zinc/49/17/36/1181491736.db2.gz KTUSQGOWTDJLTG-LLVKDONJSA-N 1 3 264.373 1.273 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001722913532 1181491738 /nfs/dbraw/zinc/49/17/38/1181491738.db2.gz KTUSQGOWTDJLTG-LLVKDONJSA-N 1 3 264.373 1.273 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001724754085 1181739384 /nfs/dbraw/zinc/73/93/84/1181739384.db2.gz GJYRSSNMGULKOH-SHTZXODSSA-N 1 3 281.444 1.779 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001732564398 1183012050 /nfs/dbraw/zinc/01/20/50/1183012050.db2.gz HLXGCLNWSBCTBZ-HNNXBMFYSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001734002930 1183610722 /nfs/dbraw/zinc/61/07/22/1183610722.db2.gz BFTLDEJOJSLISY-MNOVXSKESA-N 1 3 264.373 1.320 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)cn1 ZINC000305778622 782431317 /nfs/dbraw/zinc/43/13/17/782431317.db2.gz QWYUOIVVPZMEQZ-CYBMUJFWSA-N 1 3 295.818 1.624 10 30 CDEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1coc(C#N)c1 ZINC000869236943 783124273 /nfs/dbraw/zinc/12/42/73/783124273.db2.gz NDJOYMNEJAJDDP-LBPRGKRZSA-N 1 3 292.383 1.153 10 30 CDEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1coc(C#N)c1 ZINC000869236943 783124275 /nfs/dbraw/zinc/12/42/75/783124275.db2.gz NDJOYMNEJAJDDP-LBPRGKRZSA-N 1 3 292.383 1.153 10 30 CDEEHO C=CCNC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504232 783128436 /nfs/dbraw/zinc/12/84/36/783128436.db2.gz VMADBJCXANEHHD-LSDHHAIUSA-N 1 3 293.455 1.779 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000876922468 780275395 /nfs/dbraw/zinc/27/53/95/780275395.db2.gz AKWZHJWPERFNMX-OLZOCXBDSA-N 1 3 299.846 1.693 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001566814026 1168432278 /nfs/dbraw/zinc/43/22/78/1168432278.db2.gz VQCHOYJWPBJLNB-BIQWYFBQSA-N 1 3 277.412 1.119 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566871614 1168454201 /nfs/dbraw/zinc/45/42/01/1168454201.db2.gz HEWRKYKLCDXEIS-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566871614 1168454206 /nfs/dbraw/zinc/45/42/06/1168454206.db2.gz HEWRKYKLCDXEIS-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001272563569 913448591 /nfs/dbraw/zinc/44/85/91/913448591.db2.gz CGMCTYHCDCMUSB-HZPDHXFCSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001266881243 896272018 /nfs/dbraw/zinc/27/20/18/896272018.db2.gz UGIPQDHNXGLHSE-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001481071244 898729460 /nfs/dbraw/zinc/72/94/60/898729460.db2.gz OWUKMAPYJYONGC-HNNXBMFYSA-N 1 3 279.428 1.629 10 30 CDEEHO C#CCCN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001176879783 914330861 /nfs/dbraw/zinc/33/08/61/914330861.db2.gz OTROJKQWRDNJAT-UHFFFAOYSA-N 1 3 250.386 1.323 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001268004829 900258075 /nfs/dbraw/zinc/25/80/75/900258075.db2.gz IHKLKGBKGCBYLR-HZPDHXFCSA-N 1 3 293.455 1.615 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001268004830 900258227 /nfs/dbraw/zinc/25/82/27/900258227.db2.gz IHKLKGBKGCBYLR-JKSUJKDBSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001268522649 902501230 /nfs/dbraw/zinc/50/12/30/902501230.db2.gz MLANCYPFIPSETG-MFHOCJEASA-N 1 3 279.428 1.697 10 30 CDEEHO C#CCNC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483158149 909880027 /nfs/dbraw/zinc/88/00/27/909880027.db2.gz GQFQTMAIAKDYDJ-ZBFHGGJFSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCNC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001483158149 909880035 /nfs/dbraw/zinc/88/00/35/909880035.db2.gz GQFQTMAIAKDYDJ-ZBFHGGJFSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001486087692 920688069 /nfs/dbraw/zinc/68/80/69/920688069.db2.gz ARASSUNCPUJZQS-ZIAGYGMSSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486133536 920738097 /nfs/dbraw/zinc/73/80/97/920738097.db2.gz DIGLIFBVABYXLV-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001491171561 936868435 /nfs/dbraw/zinc/86/84/35/936868435.db2.gz ZIZZGWQFKOEGIT-HZPDHXFCSA-N 1 3 293.455 1.424 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001490660632 927290552 /nfs/dbraw/zinc/29/05/52/927290552.db2.gz HGLIRFMHMYXXGQ-HZPDHXFCSA-N 1 3 293.455 1.920 10 30 CDEEHO C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001276147782 932566972 /nfs/dbraw/zinc/56/69/72/932566972.db2.gz TWMVBXLARSXUSX-HZPDHXFCSA-N 1 3 295.471 1.669 10 30 CDEEHO C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001276718012 940860145 /nfs/dbraw/zinc/86/01/45/940860145.db2.gz RUMPYVVDHNHQCZ-JONQDZQNSA-N 1 3 293.455 1.587 10 30 CDEEHO C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001276718012 940860149 /nfs/dbraw/zinc/86/01/49/940860149.db2.gz RUMPYVVDHNHQCZ-JONQDZQNSA-N 1 3 293.455 1.587 10 30 CDEEHO C=C(C)C[NH2+]CCN(CC)C(=O)[C@H](CC)N(C)C ZINC001568775529 1169471199 /nfs/dbraw/zinc/47/11/99/1169471199.db2.gz AXHXXXWVUDAMSJ-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO CC#CC[N@H+](C)CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001280855460 942496953 /nfs/dbraw/zinc/49/69/53/942496953.db2.gz BFDGZUYQRRMFNC-UHFFFAOYSA-N 1 3 295.471 1.768 10 30 CDEEHO CC#CC[N@@H+](C)CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001280855460 942496961 /nfs/dbraw/zinc/49/69/61/942496961.db2.gz BFDGZUYQRRMFNC-UHFFFAOYSA-N 1 3 295.471 1.768 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001265590558 944440641 /nfs/dbraw/zinc/44/06/41/944440641.db2.gz CHXOQZUBPGORDB-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001265590558 944440643 /nfs/dbraw/zinc/44/06/43/944440643.db2.gz CHXOQZUBPGORDB-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[NH2+][C@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001492084982 955646039 /nfs/dbraw/zinc/64/60/39/955646039.db2.gz HLOOIXLTXQLJAH-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001329242916 955772774 /nfs/dbraw/zinc/77/27/74/955772774.db2.gz GHEOIEXFVQOVFM-GPANFISMSA-N 1 3 293.455 1.709 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001492450392 955893905 /nfs/dbraw/zinc/89/39/05/955893905.db2.gz PKAHSOAZWLBWAZ-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001492450392 955893913 /nfs/dbraw/zinc/89/39/13/955893913.db2.gz PKAHSOAZWLBWAZ-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CC(=C)C)CC1 ZINC001317414774 956268456 /nfs/dbraw/zinc/26/84/56/956268456.db2.gz DDYMCCOLYUIXNM-OAHLLOKOSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CC[N@H+](CC)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001316903830 957111338 /nfs/dbraw/zinc/11/13/38/957111338.db2.gz RGJTYDCMMIQCTF-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CC[N@@H+](CC)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001316903830 957111343 /nfs/dbraw/zinc/11/13/43/957111343.db2.gz RGJTYDCMMIQCTF-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001317194291 957336550 /nfs/dbraw/zinc/33/65/50/957336550.db2.gz WYZXCFPZGGEICF-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317204733 957340060 /nfs/dbraw/zinc/34/00/60/957340060.db2.gz CYRGYQYCKIKBBR-JKSUJKDBSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001332330378 957520856 /nfs/dbraw/zinc/52/08/56/957520856.db2.gz TZFWTTGBIGIREL-UONOGXRCSA-N 1 3 288.395 1.158 10 30 CDEEHO C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001317679661 957636510 /nfs/dbraw/zinc/63/65/10/957636510.db2.gz YEZKTNIMZZBLMB-GOEBONIOSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001318834503 958276218 /nfs/dbraw/zinc/27/62/18/958276218.db2.gz DNUVYFCSBJOFGY-CYBMUJFWSA-N 1 3 276.384 1.357 10 30 CDEEHO C=CCN(C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001492484453 958394196 /nfs/dbraw/zinc/39/41/96/958394196.db2.gz JTNIXYFCGQIZFL-UHFFFAOYSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001319633454 958665267 /nfs/dbraw/zinc/66/52/67/958665267.db2.gz HTAYOJAOAQOPSM-LSDHHAIUSA-N 1 3 279.428 1.082 10 30 CDEEHO C#CCC[NH2+]CC1(NC(=O)CN(C)CCC)CCCC1 ZINC001495205172 972437038 /nfs/dbraw/zinc/43/70/38/972437038.db2.gz WBXMXKFUUQQEGT-UHFFFAOYSA-N 1 3 279.428 1.370 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001321056993 959563350 /nfs/dbraw/zinc/56/33/50/959563350.db2.gz LQVQEYSVIVSBQP-IDTUSYRASA-N 1 3 277.412 1.145 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001321056993 959563362 /nfs/dbraw/zinc/56/33/62/959563362.db2.gz LQVQEYSVIVSBQP-IDTUSYRASA-N 1 3 277.412 1.145 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001496386763 972908358 /nfs/dbraw/zinc/90/83/58/972908358.db2.gz BMLFBLALMPIEJU-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001496561300 972971685 /nfs/dbraw/zinc/97/16/85/972971685.db2.gz HGUDFYBNSFOCBM-OAHLLOKOSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001375560364 974423007 /nfs/dbraw/zinc/42/30/07/974423007.db2.gz ZKKJDYHGRRSJDT-MGPQQGTHSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001375560364 974423011 /nfs/dbraw/zinc/42/30/11/974423011.db2.gz ZKKJDYHGRRSJDT-MGPQQGTHSA-N 1 3 299.846 1.565 10 30 CDEEHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2 ZINC001501172009 974544437 /nfs/dbraw/zinc/54/44/37/974544437.db2.gz LPZIPBCGEVNWKF-FZKCQIBNSA-N 1 3 293.455 1.872 10 30 CDEEHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2 ZINC001501172009 974544439 /nfs/dbraw/zinc/54/44/39/974544439.db2.gz LPZIPBCGEVNWKF-FZKCQIBNSA-N 1 3 293.455 1.872 10 30 CDEEHO C=C(Cl)C[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001505518377 974899011 /nfs/dbraw/zinc/89/90/11/974899011.db2.gz HHEHMLVVRSUTDJ-XGNXJENSSA-N 1 3 299.846 1.565 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001505693870 974965364 /nfs/dbraw/zinc/96/53/64/974965364.db2.gz GMKZADXTJYWBMS-ZIAGYGMSSA-N 1 3 281.444 1.470 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001505940088 975052648 /nfs/dbraw/zinc/05/26/48/975052648.db2.gz VMBYQYYQKGSLEH-KGLIPLIRSA-N 1 3 269.433 1.585 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001505940088 975052651 /nfs/dbraw/zinc/05/26/51/975052651.db2.gz VMBYQYYQKGSLEH-KGLIPLIRSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001508074366 975598734 /nfs/dbraw/zinc/59/87/34/975598734.db2.gz NURLWAPPPNIXHD-HOCLYGCPSA-N 1 3 295.471 1.975 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001389964715 976066263 /nfs/dbraw/zinc/06/62/63/976066263.db2.gz ZJXMIYAUBDTBOU-XQQFMLRXSA-N 1 3 287.835 1.562 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001674154542 1173920433 /nfs/dbraw/zinc/92/04/33/1173920433.db2.gz LZQYKLIVEUKVBK-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001674154542 1173920438 /nfs/dbraw/zinc/92/04/38/1173920438.db2.gz LZQYKLIVEUKVBK-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001571117946 1170336983 /nfs/dbraw/zinc/33/69/83/1170336983.db2.gz MIFMVDJZCOECIT-JYJNAYRXSA-N 1 3 291.439 1.367 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000594427925 342897647 /nfs/dbraw/zinc/89/76/47/342897647.db2.gz XZHALOCCRHNJMN-HNNXBMFYSA-N 1 3 286.379 1.682 10 30 CDEEHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721072 342244761 /nfs/dbraw/zinc/24/47/61/342244761.db2.gz KUJGAIRPKWGVSJ-KGLIPLIRSA-N 1 3 265.401 1.363 10 30 CDEEHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721072 342244762 /nfs/dbraw/zinc/24/47/62/342244762.db2.gz KUJGAIRPKWGVSJ-KGLIPLIRSA-N 1 3 265.401 1.363 10 30 CDEEHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721072 342244763 /nfs/dbraw/zinc/24/47/63/342244763.db2.gz KUJGAIRPKWGVSJ-KGLIPLIRSA-N 1 3 265.401 1.363 10 30 CDEEHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600728403 342245505 /nfs/dbraw/zinc/24/55/05/342245505.db2.gz PICLJRFBPUNKAK-CVEARBPZSA-N 1 3 293.455 1.999 10 30 CDEEHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600728403 342245506 /nfs/dbraw/zinc/24/55/06/342245506.db2.gz PICLJRFBPUNKAK-CVEARBPZSA-N 1 3 293.455 1.999 10 30 CDEEHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600728403 342245507 /nfs/dbraw/zinc/24/55/07/342245507.db2.gz PICLJRFBPUNKAK-CVEARBPZSA-N 1 3 293.455 1.999 10 30 CDEEHO C=CC[C@@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297632631 371457122 /nfs/dbraw/zinc/45/71/22/371457122.db2.gz MBTDCKGADBQSAI-AWEZNQCLSA-N 1 3 261.369 1.577 10 30 CDEEHO CC#CC[NH2+]C1CCC(NC(=O)CN(C)CCC)CC1 ZINC001662138368 1172486388 /nfs/dbraw/zinc/48/63/88/1172486388.db2.gz JHHOSSGTZRSUNY-UHFFFAOYSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CCN(CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001663744590 1172755274 /nfs/dbraw/zinc/75/52/74/1172755274.db2.gz VZKHGKOIBVDAJV-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCC[NH2+]1 ZINC000662719620 413380719 /nfs/dbraw/zinc/38/07/19/413380719.db2.gz HPMVEIGCDXPBNS-GDBMZVCRSA-N 1 3 277.412 1.285 10 30 CDEEHO CN(Cc1cc(C#CCN)cs1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190468 176066680 /nfs/dbraw/zinc/06/66/80/176066680.db2.gz BDWCJTSLGNDIEH-CQSZACIVSA-N 1 3 277.437 1.442 10 30 CDEEHO CN(Cc1cc(C#CCN)cs1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190468 176066681 /nfs/dbraw/zinc/06/66/81/176066681.db2.gz BDWCJTSLGNDIEH-CQSZACIVSA-N 1 3 277.437 1.442 10 30 CDEEHO C#CC[NH+]1CCC(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001666379394 1173130484 /nfs/dbraw/zinc/13/04/84/1173130484.db2.gz MEUVFOKQJKJHAU-OAHLLOKOSA-N 1 3 291.439 1.180 10 30 CDEEHO COC(C)(C)CN(C)CC#CC[N@H+](C)CC(C)(C)OC ZINC000551387219 334248215 /nfs/dbraw/zinc/24/82/15/334248215.db2.gz YVRJSXVQMOFYES-UHFFFAOYSA-N 1 3 284.444 1.703 10 30 CDEEHO COC(C)(C)CN(C)CC#CC[N@@H+](C)CC(C)(C)OC ZINC000551387219 334248217 /nfs/dbraw/zinc/24/82/17/334248217.db2.gz YVRJSXVQMOFYES-UHFFFAOYSA-N 1 3 284.444 1.703 10 30 CDEEHO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001725196507 1159231314 /nfs/dbraw/zinc/23/13/14/1159231314.db2.gz QVPVMXACEICDSL-CQSZACIVSA-N 1 3 269.433 1.729 10 30 CDEEHO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001725196507 1159231317 /nfs/dbraw/zinc/23/13/17/1159231317.db2.gz QVPVMXACEICDSL-CQSZACIVSA-N 1 3 269.433 1.729 10 30 CDEEHO C[C@@H]1OCC[C@]1(C)NCC#CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000671243785 483198714 /nfs/dbraw/zinc/19/87/14/483198714.db2.gz YPTWHZWAOXZUFB-VGWMRTNUSA-N 1 3 280.412 1.304 10 30 CDEEHO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001691664581 1161468615 /nfs/dbraw/zinc/46/86/15/1161468615.db2.gz HJQORXBSJIXORP-UONOGXRCSA-N 1 3 288.395 1.158 10 30 CDEEHO C[NH+](C)C[C@H]1CCCN1Cc1ccc(F)cc1C#CCN ZINC000061652300 521872046 /nfs/dbraw/zinc/87/20/46/521872046.db2.gz GMALRIOAINDEAA-QGZVFWFLSA-N 1 3 289.398 1.662 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001689059466 1175090536 /nfs/dbraw/zinc/09/05/36/1175090536.db2.gz ZUZKZXYNAFYNIS-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218752 613785178 /nfs/dbraw/zinc/78/51/78/613785178.db2.gz YYVXXHGXGUPCHO-KBPBESRZSA-N 1 3 279.428 1.341 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218752 613785180 /nfs/dbraw/zinc/78/51/80/613785180.db2.gz YYVXXHGXGUPCHO-KBPBESRZSA-N 1 3 279.428 1.341 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000908503845 628247329 /nfs/dbraw/zinc/24/73/29/628247329.db2.gz QGMZQOQOHNTAGO-CYBMUJFWSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001670469711 1158613375 /nfs/dbraw/zinc/61/33/75/1158613375.db2.gz KVWIMVHESIQFPV-HUUCEWRRSA-N 1 3 279.428 1.530 10 30 CDEEHO C=CCC[N@H+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001691040456 1158669474 /nfs/dbraw/zinc/66/94/74/1158669474.db2.gz LVVILKOSDUDNQN-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCC[N@@H+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001691040456 1158669475 /nfs/dbraw/zinc/66/94/75/1158669475.db2.gz LVVILKOSDUDNQN-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001266619777 1158699798 /nfs/dbraw/zinc/69/97/98/1158699798.db2.gz ACFCARKQTJRAGV-IHRRRGAJSA-N 1 3 265.401 1.141 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001691095515 1158906526 /nfs/dbraw/zinc/90/65/26/1158906526.db2.gz APLHWSAOVXABCN-XHSDSOJGSA-N 1 3 291.439 1.367 10 30 CDEEHO C=C(C)CN1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001266859337 1158914210 /nfs/dbraw/zinc/91/42/10/1158914210.db2.gz XQFSDRDAMRDINM-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)CN1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001266859337 1158914212 /nfs/dbraw/zinc/91/42/12/1158914212.db2.gz XQFSDRDAMRDINM-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001268414038 1159932316 /nfs/dbraw/zinc/93/23/16/1159932316.db2.gz QCOCUNQLHBIISO-UONOGXRCSA-N 1 3 269.433 1.633 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001270913497 1160228147 /nfs/dbraw/zinc/22/81/47/1160228147.db2.gz JXJWMNDNFSOLDF-OLZOCXBDSA-N 1 3 253.390 1.093 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000876723213 1165900806 /nfs/dbraw/zinc/90/08/06/1165900806.db2.gz PZDWRYWXLQYCGW-CMPLNLGQSA-N 1 3 273.808 1.304 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000876723213 1165900811 /nfs/dbraw/zinc/90/08/11/1165900811.db2.gz PZDWRYWXLQYCGW-CMPLNLGQSA-N 1 3 273.808 1.304 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000876952138 1165946820 /nfs/dbraw/zinc/94/68/20/1165946820.db2.gz XMPFEVCDIJXEFC-GFCCVEGCSA-N 1 3 273.808 1.401 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001568433592 1169284220 /nfs/dbraw/zinc/28/42/20/1169284220.db2.gz DFSRAUHHNFWTDA-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001569821827 1170005874 /nfs/dbraw/zinc/00/58/74/1170005874.db2.gz SXENSCDFGOTAIW-CABCVRRESA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001570648554 1170222022 /nfs/dbraw/zinc/22/20/22/1170222022.db2.gz ZGDHJQPGVQILEI-QWRGUYRKSA-N 1 3 264.373 1.320 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001661152445 1172345005 /nfs/dbraw/zinc/34/50/05/1172345005.db2.gz QLMZJZPPIZOHSO-HNNXBMFYSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001666245394 1173120281 /nfs/dbraw/zinc/12/02/81/1173120281.db2.gz YDJSOXINCHAQQF-HNNXBMFYSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001667584453 1173294342 /nfs/dbraw/zinc/29/43/42/1173294342.db2.gz ANSACHJHHGINTR-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001667584453 1173294349 /nfs/dbraw/zinc/29/43/49/1173294349.db2.gz ANSACHJHHGINTR-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001690955221 1175626084 /nfs/dbraw/zinc/62/60/84/1175626084.db2.gz NUUFWTKUYMLUBA-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001690955221 1175626091 /nfs/dbraw/zinc/62/60/91/1175626091.db2.gz 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C=CCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001484940233 916302041 /nfs/dbraw/zinc/30/20/41/916302041.db2.gz CDMIZADCMJHGBF-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001484940233 916302061 /nfs/dbraw/zinc/30/20/61/916302061.db2.gz CDMIZADCMJHGBF-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001485689042 917184464 /nfs/dbraw/zinc/18/44/64/917184464.db2.gz PIFVAAUKXBGHLS-RBSFLKMASA-N 1 3 281.444 1.777 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001485922656 920579920 /nfs/dbraw/zinc/57/99/20/920579920.db2.gz PCDVAZZUGPJSPK-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001649463860 1169265865 /nfs/dbraw/zinc/26/58/65/1169265865.db2.gz NJLVKRPXEWAKIA-KGLIPLIRSA-N 1 3 279.428 1.034 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001568417430 1169278557 /nfs/dbraw/zinc/27/85/57/1169278557.db2.gz 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/nfs/dbraw/zinc/01/68/10/936016810.db2.gz MZMVAZLLRREJSQ-MCIONIFRSA-N 1 3 253.390 1.577 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001122057013 937902262 /nfs/dbraw/zinc/90/22/62/937902262.db2.gz YYEUJZRQYHKBKL-JKSUJKDBSA-N 1 3 293.455 1.908 10 30 CDEEHO C#CCC[NH2+][C@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001332436794 942416416 /nfs/dbraw/zinc/41/64/16/942416416.db2.gz HXPAGGJYKRZTSA-KGLIPLIRSA-N 1 3 279.428 1.177 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001263919393 944030603 /nfs/dbraw/zinc/03/06/03/944030603.db2.gz QXGWKVISPGNXOB-HRCADAONSA-N 1 3 293.455 1.779 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001265632151 944451502 /nfs/dbraw/zinc/45/15/02/944451502.db2.gz CLLZBJUZRXWVKD-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001265673515 944465807 /nfs/dbraw/zinc/46/58/07/944465807.db2.gz HIAWCDUSEURFOH-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001266007490 944626369 /nfs/dbraw/zinc/62/63/69/944626369.db2.gz ZIGGAQJPGJNXCM-DZGCQCFKSA-N 1 3 290.411 1.888 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001266040983 944651559 /nfs/dbraw/zinc/65/15/59/944651559.db2.gz PTGXPASQCXABJQ-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H](CC)N(C)C ZINC001266155885 944719819 /nfs/dbraw/zinc/71/98/19/944719819.db2.gz RIMGGSMHXUANAL-QWHCGFSZSA-N 1 3 255.406 1.387 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001479913879 971483868 /nfs/dbraw/zinc/48/38/68/971483868.db2.gz XBARQJLQZLZWTM-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001479913879 971483871 /nfs/dbraw/zinc/48/38/71/971483871.db2.gz XBARQJLQZLZWTM-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC)CC1 ZINC001329202100 955753244 /nfs/dbraw/zinc/75/32/44/955753244.db2.gz HYSCLEGSHBTXGR-KGLIPLIRSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001493869597 972131011 /nfs/dbraw/zinc/13/10/11/972131011.db2.gz FMOADZRCUFGNPV-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001493869597 972131014 /nfs/dbraw/zinc/13/10/14/972131014.db2.gz FMOADZRCUFGNPV-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001330599979 956504946 /nfs/dbraw/zinc/50/49/46/956504946.db2.gz VWLKGJWPPKXLLP-BZUAXINKSA-N 1 3 293.455 1.920 10 30 CDEEHO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001316997992 957191865 /nfs/dbraw/zinc/19/18/65/957191865.db2.gz IFYIWXOJMGFNSE-HUUCEWRRSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CCC)CC1 ZINC001317007742 957198077 /nfs/dbraw/zinc/19/80/77/957198077.db2.gz QFSJGTUJHHKNCD-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001317863292 957700271 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C=CCN1CCC(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC001346289767 965030675 /nfs/dbraw/zinc/03/06/75/965030675.db2.gz ZOOBGXHVCQRHEO-CJNGLKHVSA-N 1 3 292.427 1.160 10 30 CDEEHO C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC001522417813 970430657 /nfs/dbraw/zinc/43/06/57/970430657.db2.gz MHDGFOITZDHZIH-BFHYXJOUSA-N 1 3 265.401 1.365 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001498832889 974071609 /nfs/dbraw/zinc/07/16/09/974071609.db2.gz QHRRQEVGSJYHFF-HZPDHXFCSA-N 1 3 293.455 1.920 10 30 CDEEHO CC#CCNC1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001499462039 974258045 /nfs/dbraw/zinc/25/80/45/974258045.db2.gz WXSIKAVJNFVQER-OKILXGFUSA-N 1 3 277.412 1.121 10 30 CDEEHO CC#CCNC1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001499462039 974258050 /nfs/dbraw/zinc/25/80/50/974258050.db2.gz WXSIKAVJNFVQER-OKILXGFUSA-N 1 3 277.412 1.121 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001505448290 974884151 /nfs/dbraw/zinc/88/41/51/974884151.db2.gz OIGAOFVPOPSTQT-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001507026229 975298192 /nfs/dbraw/zinc/29/81/92/975298192.db2.gz ARUOXRUFRJMBMI-HIFRSBDPSA-N 1 3 279.428 1.341 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001675342710 1174103450 /nfs/dbraw/zinc/10/34/50/1174103450.db2.gz CNERTSWQNSDODI-GOEBONIOSA-N 1 3 295.471 1.975 10 30 CDEEHO C#CCN1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001676817444 1174277259 /nfs/dbraw/zinc/27/72/59/1174277259.db2.gz YHPJZTKPYATLRX-HOCLYGCPSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[NH2+][C@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001677032605 1174309147 /nfs/dbraw/zinc/30/91/47/1174309147.db2.gz HHSMZCHEEBJEIY-KBPBESRZSA-N 1 3 279.428 1.177 10 30 CDEEHO C=C(C)CC[NH2+]CC1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001570578287 1170194541 /nfs/dbraw/zinc/19/45/41/1170194541.db2.gz MSEJKJULOBKAIR-UHFFFAOYSA-N 1 3 290.411 1.711 10 30 CDEEHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H](N)CCCCC#N ZINC000594440061 342906896 /nfs/dbraw/zinc/90/68/96/342906896.db2.gz YWXMLKQMEHWNOG-LSDHHAIUSA-N 1 3 294.443 1.730 10 30 CDEEHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H](N)CCCCC#N ZINC000594440061 342906898 /nfs/dbraw/zinc/90/68/98/342906898.db2.gz YWXMLKQMEHWNOG-LSDHHAIUSA-N 1 3 294.443 1.730 10 30 CDEEHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594441302 342907544 /nfs/dbraw/zinc/90/75/44/342907544.db2.gz QPNGPHKHUIYCNY-UONOGXRCSA-N 1 3 280.416 1.244 10 30 CDEEHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594441302 342907545 /nfs/dbraw/zinc/90/75/45/342907545.db2.gz QPNGPHKHUIYCNY-UONOGXRCSA-N 1 3 280.416 1.244 10 30 CDEEHO N#CCCC[C@@H](N)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595936586 343201687 /nfs/dbraw/zinc/20/16/87/343201687.db2.gz OHHLCDXCJAFNLE-LSDHHAIUSA-N 1 3 292.427 1.246 10 30 CDEEHO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507335 345679500 /nfs/dbraw/zinc/67/95/00/345679500.db2.gz RZWCIPUEDHRICS-CABCVRRESA-N 1 3 283.460 1.977 10 30 CDEEHO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507335 345679502 /nfs/dbraw/zinc/67/95/02/345679502.db2.gz RZWCIPUEDHRICS-CABCVRRESA-N 1 3 283.460 1.977 10 30 CDEEHO C=C(C)C[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000545247419 369174887 /nfs/dbraw/zinc/17/48/87/369174887.db2.gz LOAJAONXUHYXIG-AWEZNQCLSA-N 1 3 269.433 1.541 10 30 CDEEHO C[C@@H](N)[C@@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423454802 374383686 /nfs/dbraw/zinc/38/36/86/374383686.db2.gz ZPHKMOTYZBAAMN-ZIAGYGMSSA-N 1 3 286.423 1.848 10 30 CDEEHO C[C@@H]([NH3+])[C@@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423454802 374383693 /nfs/dbraw/zinc/38/36/93/374383693.db2.gz ZPHKMOTYZBAAMN-ZIAGYGMSSA-N 1 3 286.423 1.848 10 30 CDEEHO CN1C[C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193605827 375880155 /nfs/dbraw/zinc/88/01/55/375880155.db2.gz IJWIQVJLDBJGTM-GASCZTMLSA-N 1 3 271.364 1.430 10 30 CDEEHO CN1C[C@@H]2C[N@H+](CCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193605827 375880158 /nfs/dbraw/zinc/88/01/58/375880158.db2.gz IJWIQVJLDBJGTM-GASCZTMLSA-N 1 3 271.364 1.430 10 30 CDEEHO N#CCCOCC[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000339139109 391256998 /nfs/dbraw/zinc/25/69/98/391256998.db2.gz AOKLCWNQDXPNJB-QZTJIDSGSA-N 1 3 299.418 1.980 10 30 CDEEHO C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001664467116 1172857369 /nfs/dbraw/zinc/85/73/69/1172857369.db2.gz FJUMPFXOQNZGSA-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO CN1CC[C@@H](C[N@H+](C)Cc2cccc(C#CCO)c2)C1 ZINC000071190504 176066497 /nfs/dbraw/zinc/06/64/97/176066497.db2.gz WHXBKRUGYKTAMF-QGZVFWFLSA-N 1 3 272.392 1.414 10 30 CDEEHO CN1CC[C@@H](C[N@@H+](C)Cc2cccc(C#CCO)c2)C1 ZINC000071190504 176066498 /nfs/dbraw/zinc/06/64/98/176066498.db2.gz WHXBKRUGYKTAMF-QGZVFWFLSA-N 1 3 272.392 1.414 10 30 CDEEHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001666500976 1173138608 /nfs/dbraw/zinc/13/86/08/1173138608.db2.gz HEGULMVFNZFAMV-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001666500976 1173138613 /nfs/dbraw/zinc/13/86/13/1173138613.db2.gz HEGULMVFNZFAMV-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO CN1CCC(CC(=O)N(CCC#N)CCC[NH+](C)C)CC1 ZINC000362624421 267024695 /nfs/dbraw/zinc/02/46/95/267024695.db2.gz SHSWVCIDSXANOL-UHFFFAOYSA-N 1 3 294.443 1.412 10 30 CDEEHO CC(C)CN1CCCC[C@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262476436 330016143 /nfs/dbraw/zinc/01/61/43/330016143.db2.gz QHKZFGCMXDBSFP-CABCVRRESA-N 1 3 296.459 1.532 10 30 CDEEHO C[NH+]=C(NC1CCC1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262764315 330030000 /nfs/dbraw/zinc/03/00/00/330030000.db2.gz FIWICNCWUSFOEH-CYBMUJFWSA-N 1 3 264.417 1.721 10 30 CDEEHO CCN(CC)[C@@H]1CCN(C(NC[C@@H]2CCC[C@H]2O)=[NH+]C)C1 ZINC000262796180 330032045 /nfs/dbraw/zinc/03/20/45/330032045.db2.gz POMGLBGZVIDFSG-RRFJBIMHSA-N 1 3 296.459 1.139 10 30 CDEEHO CC[NH+]=C(NC1CCC1)N1CC[C@@H](N(CC)CC)C1 ZINC000262798875 330032189 /nfs/dbraw/zinc/03/21/89/330032189.db2.gz QMCRJXCEZMYOCX-CQSZACIVSA-N 1 3 266.433 1.921 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000424167548 330309936 /nfs/dbraw/zinc/30/99/36/330309936.db2.gz CRCFYHXPJPBSCO-AJNGGQMLSA-N 1 3 250.386 1.794 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424167548 330309937 /nfs/dbraw/zinc/30/99/37/330309937.db2.gz CRCFYHXPJPBSCO-AJNGGQMLSA-N 1 3 250.386 1.794 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424167548 330309938 /nfs/dbraw/zinc/30/99/38/330309938.db2.gz CRCFYHXPJPBSCO-AJNGGQMLSA-N 1 3 250.386 1.794 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691473758 1159333868 /nfs/dbraw/zinc/33/38/68/1159333868.db2.gz HHPWUEMSNTXNLJ-AWEZNQCLSA-N 1 3 267.417 1.178 10 30 CDEEHO C=CC[N@@H+](CC)CCCNC(=O)C1(N(C)C)CCC1 ZINC001707451979 1178054289 /nfs/dbraw/zinc/05/42/89/1178054289.db2.gz MVKXNNWENONEII-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[NH2+]CCN(CC)C(=O)CN(C)CC(C)(C)C ZINC001716240023 1180114902 /nfs/dbraw/zinc/11/49/02/1180114902.db2.gz VCLJLNGNSFYWLK-UHFFFAOYSA-N 1 3 283.460 1.979 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001717476835 1180696005 /nfs/dbraw/zinc/69/60/05/1180696005.db2.gz UPIYBWBWQIBHNZ-KBPBESRZSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001717476835 1180696007 /nfs/dbraw/zinc/69/60/07/1180696007.db2.gz UPIYBWBWQIBHNZ-KBPBESRZSA-N 1 3 269.433 1.585 10 30 CDEEHO Cc1ccc(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1C#N ZINC000925836839 617867203 /nfs/dbraw/zinc/86/72/03/617867203.db2.gz DTQCKGNJRPSUCW-DLBZAZTESA-N 1 3 285.391 1.723 10 30 CDEEHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000870989101 1165249499 /nfs/dbraw/zinc/24/94/99/1165249499.db2.gz FDXOJNMTPSJZSP-CJNGLKHVSA-N 1 3 294.443 1.621 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876842806 1165925661 /nfs/dbraw/zinc/92/56/61/1165925661.db2.gz LQLYSLUBBVDOJN-DGCLKSJQSA-N 1 3 271.792 1.058 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000876873604 1165931438 /nfs/dbraw/zinc/93/14/38/1165931438.db2.gz LKCBHCFUKJHYMB-LBPRGKRZSA-N 1 3 275.824 1.503 10 30 CDEEHO CC#CC[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001566987695 1168489794 /nfs/dbraw/zinc/48/97/94/1168489794.db2.gz KOBBZJLZHRSQPB-FHERZECASA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001569211664 1169722687 /nfs/dbraw/zinc/72/26/87/1169722687.db2.gz LBIHTGNPAUPAOL-AWEZNQCLSA-N 1 3 269.433 1.587 10 30 CDEEHO C=CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001570374985 1170146640 /nfs/dbraw/zinc/14/66/40/1170146640.db2.gz GXKMFJYSFDLRKF-AWEZNQCLSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC=C)CC1 ZINC001570654063 1170224139 /nfs/dbraw/zinc/22/41/39/1170224139.db2.gz ZNIYOTHMKOPJKX-CABCVRRESA-N 1 3 291.439 1.391 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001661817817 1172451240 /nfs/dbraw/zinc/45/12/40/1172451240.db2.gz CBAJEPFEJHVMBU-CVEARBPZSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)CN(C)C1CCC1 ZINC001663985891 1172797609 /nfs/dbraw/zinc/79/76/09/1172797609.db2.gz PBUNGJGVSCEAPR-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001666558343 1173152267 /nfs/dbraw/zinc/15/22/67/1173152267.db2.gz NHYZAJUMABQVPQ-CABCVRRESA-N 1 3 279.428 1.226 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001672911170 1173806883 /nfs/dbraw/zinc/80/68/83/1173806883.db2.gz QSPCMVOXVYGGMU-CQSZACIVSA-N 1 3 265.401 1.096 10 30 CDEEHO C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001690787381 1175572279 /nfs/dbraw/zinc/57/22/79/1175572279.db2.gz HUPMPJCWVNJJMR-GJZGRUSLSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001691917463 1175651742 /nfs/dbraw/zinc/65/17/42/1175651742.db2.gz HTJMNESWNSYNTD-HRCADAONSA-N 1 3 291.439 1.226 10 30 CDEEHO CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001698597384 1175864191 /nfs/dbraw/zinc/86/41/91/1175864191.db2.gz QCSGPIGHLPGMGV-HUUCEWRRSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001698759300 1175922083 /nfs/dbraw/zinc/92/20/83/1175922083.db2.gz AJZOHVGFQIFBDI-CYBMUJFWSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CCNC1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001699661434 1176556546 /nfs/dbraw/zinc/55/65/46/1176556546.db2.gz RTZHGLLOFMSUGW-UHFFFAOYSA-N 1 3 291.439 1.513 10 30 CDEEHO C#CCNC1(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001699661434 1176556551 /nfs/dbraw/zinc/55/65/51/1176556551.db2.gz RTZHGLLOFMSUGW-UHFFFAOYSA-N 1 3 291.439 1.513 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001700321030 1176849350 /nfs/dbraw/zinc/84/93/50/1176849350.db2.gz VRBTWWXNKROTFP-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001700630921 1177043728 /nfs/dbraw/zinc/04/37/28/1177043728.db2.gz IJYCEHIJTKUMMG-SHTZXODSSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[N@H+](CC)CCCNC(=O)C1(N(C)C)CCC1 ZINC001707451979 1178054281 /nfs/dbraw/zinc/05/42/81/1178054281.db2.gz MVKXNNWENONEII-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001713634160 1178690123 /nfs/dbraw/zinc/69/01/23/1178690123.db2.gz JSCCSBZJETVZHG-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001714050908 1178947378 /nfs/dbraw/zinc/94/73/78/1178947378.db2.gz WMCNKTHSQMTCDK-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001714050908 1178947383 /nfs/dbraw/zinc/94/73/83/1178947383.db2.gz WMCNKTHSQMTCDK-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001714804905 1179405831 /nfs/dbraw/zinc/40/58/31/1179405831.db2.gz LMJOQZANYCEXLI-HOCLYGCPSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001715481239 1179677620 /nfs/dbraw/zinc/67/76/20/1179677620.db2.gz YVMYFZMWHDLDRF-UKRRQHHQSA-N 1 3 290.411 1.745 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001715506945 1179687177 /nfs/dbraw/zinc/68/71/77/1179687177.db2.gz NTENPSOCCXVTGL-GJZGRUSLSA-N 1 3 281.444 1.326 10 30 CDEEHO C#CCC[NH2+]CCN(CC)C(=O)CN1CCC(C)CC1 ZINC001716245881 1180118200 /nfs/dbraw/zinc/11/82/00/1180118200.db2.gz RSIMABIHBYQCTR-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCN(C(=O)CC[NH+](C)C)C1CCN(CC=C)CC1 ZINC001724054776 1181632347 /nfs/dbraw/zinc/63/23/47/1181632347.db2.gz YATIBZBONRPOTB-UHFFFAOYSA-N 1 3 277.412 1.050 10 30 CDEEHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CCC)C2 ZINC001724597556 1181699892 /nfs/dbraw/zinc/69/98/92/1181699892.db2.gz BSXJOGMRVWOICC-MUJYYYPQSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CCC)C2 ZINC001724597556 1181699895 /nfs/dbraw/zinc/69/98/95/1181699895.db2.gz BSXJOGMRVWOICC-MUJYYYPQSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001725042881 1181833437 /nfs/dbraw/zinc/83/34/37/1181833437.db2.gz QPTAIXHRGSPZOL-JKSUJKDBSA-N 1 3 293.455 1.968 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001725042881 1181833442 /nfs/dbraw/zinc/83/34/42/1181833442.db2.gz QPTAIXHRGSPZOL-JKSUJKDBSA-N 1 3 293.455 1.968 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001725649391 1182087432 /nfs/dbraw/zinc/08/74/32/1182087432.db2.gz GYZBRGPRGXEEHP-GJZGRUSLSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001732542140 1183001454 /nfs/dbraw/zinc/00/14/54/1183001454.db2.gz DDCAOVSTJZHYRQ-OCCSQVGLSA-N 1 3 276.384 1.355 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001733298268 1183384577 /nfs/dbraw/zinc/38/45/77/1183384577.db2.gz URGAQYWCKGDUKX-QGZVFWFLSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001733298268 1183384584 /nfs/dbraw/zinc/38/45/84/1183384584.db2.gz URGAQYWCKGDUKX-QGZVFWFLSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001733348120 1183406169 /nfs/dbraw/zinc/40/61/69/1183406169.db2.gz YOCUSIOABGKOBW-AWEZNQCLSA-N 1 3 276.384 1.499 10 30 CDEEHO C=C(C)C[NH2+]CC1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001733954088 1183582608 /nfs/dbraw/zinc/58/26/08/1183582608.db2.gz ZVGXUEUNWQHFPR-RUXDESIVSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001734295115 1183716796 /nfs/dbraw/zinc/71/67/96/1183716796.db2.gz JFSKYFRIUJKMQH-INIZCTEOSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000876729802 784241602 /nfs/dbraw/zinc/24/16/02/784241602.db2.gz XQHOLAAYOMNMQM-ZYHUDNBSSA-N 1 3 273.808 1.304 10 30 CDEEHO C#CCCNC(N[C@@H]1CN(C(C)C)C[C@@H]1C)=[NH+]CC ZINC000261995350 785503152 /nfs/dbraw/zinc/50/31/52/785503152.db2.gz SGEJKPXOFOYPSU-UONOGXRCSA-N 1 3 264.417 1.294 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000876938711 785967434 /nfs/dbraw/zinc/96/74/34/785967434.db2.gz OJYUILQKDIMYJS-LBPRGKRZSA-N 1 3 267.760 1.231 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000876794454 786847180 /nfs/dbraw/zinc/84/71/80/786847180.db2.gz WDRYYIQQSBQMHK-PWSUYJOCSA-N 1 3 294.786 1.306 10 30 CDEEHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000863552049 787111511 /nfs/dbraw/zinc/11/15/11/787111511.db2.gz OXGNHSQPJDEMBH-MCIONIFRSA-N 1 3 265.401 1.504 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000876927936 787802178 /nfs/dbraw/zinc/80/21/78/787802178.db2.gz PBLVDOIQCCKXAD-VGDYDELISA-N 1 3 273.808 1.288 10 30 CDEEHO C[NH+]1CCC(O)(CNCC#Cc2ccccc2)CC1 ZINC000397535161 788030374 /nfs/dbraw/zinc/03/03/74/788030374.db2.gz GXYZVVSCGPAXOR-UHFFFAOYSA-N 1 3 258.365 1.084 10 30 CDEEHO C[NH+]=C(NCC1CC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261951548 788055120 /nfs/dbraw/zinc/05/51/20/788055120.db2.gz HNQJLRPUBHYTNH-WCQYABFASA-N 1 3 252.406 1.290 10 30 CDEEHO C[N@@H+]1CCN(C(=O)[C@@H](N)CCCCC#N)CCC1(C)C ZINC000712620713 789035890 /nfs/dbraw/zinc/03/58/90/789035890.db2.gz BEGUTWYACUEKCN-ZDUSSCGKSA-N 1 3 280.416 1.340 10 30 CDEEHO C[N@H+]1CCN(C(=O)[C@@H](N)CCCCC#N)CCC1(C)C ZINC000712620713 789035895 /nfs/dbraw/zinc/03/58/95/789035895.db2.gz BEGUTWYACUEKCN-ZDUSSCGKSA-N 1 3 280.416 1.340 10 30 CDEEHO CN1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CCC1(C)C ZINC000712620713 789035910 /nfs/dbraw/zinc/03/59/10/789035910.db2.gz BEGUTWYACUEKCN-ZDUSSCGKSA-N 1 3 280.416 1.340 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000876717036 789812179 /nfs/dbraw/zinc/81/21/79/789812179.db2.gz UGSDFDQQMWUUJI-GFCCVEGCSA-N 1 3 271.792 1.199 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001266423061 894796110 /nfs/dbraw/zinc/79/61/10/894796110.db2.gz ZZZVPJAVVJCGCU-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001266423061 894796120 /nfs/dbraw/zinc/79/61/20/894796120.db2.gz ZZZVPJAVVJCGCU-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267112235 896822429 /nfs/dbraw/zinc/82/24/29/896822429.db2.gz WXCVDMHMXWABQA-JKSUJKDBSA-N 1 3 293.455 1.663 10 30 CDEEHO C=CCC[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001267844505 899857949 /nfs/dbraw/zinc/85/79/49/899857949.db2.gz LDQILTOEFIPWCT-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001268160885 901454256 /nfs/dbraw/zinc/45/42/56/901454256.db2.gz BTTPCUOBBRGGNK-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268254892 901678621 /nfs/dbraw/zinc/67/86/21/901678621.db2.gz GMEHUDHSRUGGGD-GJZGRUSLSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001268427334 902041306 /nfs/dbraw/zinc/04/13/06/902041306.db2.gz WABLLOZXBXJHFC-CABCVRRESA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001268753977 903083729 /nfs/dbraw/zinc/08/37/29/903083729.db2.gz YKYFNDYLBFOWKU-HUUCEWRRSA-N 1 3 283.460 1.975 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001268753977 903083737 /nfs/dbraw/zinc/08/37/37/903083737.db2.gz YKYFNDYLBFOWKU-HUUCEWRRSA-N 1 3 283.460 1.975 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001317547298 904386198 /nfs/dbraw/zinc/38/61/98/904386198.db2.gz LVYZWMVIELGQRE-INIZCTEOSA-N 1 3 293.455 1.570 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001317547298 904386212 /nfs/dbraw/zinc/38/62/12/904386212.db2.gz LVYZWMVIELGQRE-INIZCTEOSA-N 1 3 293.455 1.570 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)N(C)C ZINC001271012251 905551100 /nfs/dbraw/zinc/55/11/00/905551100.db2.gz DGJDQDPLSPDUCW-ZIAGYGMSSA-N 1 3 269.433 1.729 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001483946833 915223929 /nfs/dbraw/zinc/22/39/29/915223929.db2.gz UCCJVHFGPUCCJG-ZDUSSCGKSA-N 1 3 262.357 1.109 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001483959452 915232762 /nfs/dbraw/zinc/23/27/62/915232762.db2.gz UVFSIRLYHJUNOZ-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001484144713 915459245 /nfs/dbraw/zinc/45/92/45/915459245.db2.gz KSHXTAYHEAKDJG-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001484144713 915459252 /nfs/dbraw/zinc/45/92/52/915459252.db2.gz KSHXTAYHEAKDJG-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001485299410 916779111 /nfs/dbraw/zinc/77/91/11/916779111.db2.gz JYVOJCFGFTZUAQ-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001485299410 916779123 /nfs/dbraw/zinc/77/91/23/916779123.db2.gz JYVOJCFGFTZUAQ-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)N(C)C ZINC001273597152 921949346 /nfs/dbraw/zinc/94/93/46/921949346.db2.gz NUEQAWPZVSBZDK-CQSZACIVSA-N 1 3 269.433 1.587 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CCCC)CC1 ZINC001273204555 924872211 /nfs/dbraw/zinc/87/22/11/924872211.db2.gz LTOSBOFJERZVDR-HNNXBMFYSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001568417239 1169279602 /nfs/dbraw/zinc/27/96/02/1169279602.db2.gz UMXNHLYVRHVNLZ-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001568497458 1169332043 /nfs/dbraw/zinc/33/20/43/1169332043.db2.gz FEKCQZMHEANNDQ-UHFFFAOYSA-N 1 3 281.444 1.685 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](CCCC)C[NH2+]CC)CC1 ZINC001276269976 932701781 /nfs/dbraw/zinc/70/17/81/932701781.db2.gz YBLOXXVYUOLWNZ-MRXNPFEDSA-N 1 3 293.455 1.616 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001122103023 937905466 /nfs/dbraw/zinc/90/54/66/937905466.db2.gz RZYQXAJOVLENTI-QWHCGFSZSA-N 1 3 267.417 1.564 10 30 CDEEHO C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001284751541 943254778 /nfs/dbraw/zinc/25/47/78/943254778.db2.gz XHTKRECNQQMPGN-RUXDESIVSA-N 1 3 265.401 1.236 10 30 CDEEHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001263933464 944035557 /nfs/dbraw/zinc/03/55/57/944035557.db2.gz ZSVURZPHAHLCDD-UONOGXRCSA-N 1 3 267.417 1.387 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001277979697 944423808 /nfs/dbraw/zinc/42/38/08/944423808.db2.gz ACPUFFGQVXQKJY-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001265822983 944525873 /nfs/dbraw/zinc/52/58/73/944525873.db2.gz BNMZDDSMARVGIA-KGLIPLIRSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001568997508 1169585862 /nfs/dbraw/zinc/58/58/62/1169585862.db2.gz UNJGTRIQEAGYCJ-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001480038339 971548081 /nfs/dbraw/zinc/54/80/81/971548081.db2.gz GRNOVNYYWBHPOL-CQSZACIVSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001480254592 971650240 /nfs/dbraw/zinc/65/02/40/971650240.db2.gz FTUWDQQVLLGUBQ-CABCVRRESA-N 1 3 299.434 1.681 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001480254592 971650243 /nfs/dbraw/zinc/65/02/43/971650243.db2.gz FTUWDQQVLLGUBQ-CABCVRRESA-N 1 3 299.434 1.681 10 30 CDEEHO C=C(C)CN1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001480323317 971672590 /nfs/dbraw/zinc/67/25/90/971672590.db2.gz JQKKVTFGWMCNFY-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001493297956 972010563 /nfs/dbraw/zinc/01/05/63/972010563.db2.gz ZFUNKMAYPQSGEZ-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001493297956 972010573 /nfs/dbraw/zinc/01/05/73/972010573.db2.gz ZFUNKMAYPQSGEZ-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001493498291 972071185 /nfs/dbraw/zinc/07/11/85/972071185.db2.gz ATPYJGOULCKCPM-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491684446 955357697 /nfs/dbraw/zinc/35/76/97/955357697.db2.gz VPVLQFXNDGURMF-GJZGRUSLSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001491684446 955357707 /nfs/dbraw/zinc/35/77/07/955357707.db2.gz VPVLQFXNDGURMF-GJZGRUSLSA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317142779 957303174 /nfs/dbraw/zinc/30/31/74/957303174.db2.gz GRFTYMMYDTXVIW-CVEARBPZSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317142779 957303182 /nfs/dbraw/zinc/30/31/82/957303182.db2.gz GRFTYMMYDTXVIW-CVEARBPZSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317324381 957422934 /nfs/dbraw/zinc/42/29/34/957422934.db2.gz AFQHHUULNFGNSC-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C ZINC001332808551 957853155 /nfs/dbraw/zinc/85/31/55/957853155.db2.gz UNQUUGSBGRQWHV-CABCVRRESA-N 1 3 295.471 1.716 10 30 CDEEHO C#CCCN1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001494909565 972334309 /nfs/dbraw/zinc/33/43/09/972334309.db2.gz KAYGTQYLFRSLTI-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001319926907 958793221 /nfs/dbraw/zinc/79/32/21/958793221.db2.gz DVMXEKIVAKOWMN-AWEZNQCLSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321056996 959564504 /nfs/dbraw/zinc/56/45/04/959564504.db2.gz LQVQEYSVIVSBQP-XHPSBEMXSA-N 1 3 277.412 1.145 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001321056996 959564518 /nfs/dbraw/zinc/56/45/18/959564518.db2.gz LQVQEYSVIVSBQP-XHPSBEMXSA-N 1 3 277.412 1.145 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1CC ZINC001569342667 1169772668 /nfs/dbraw/zinc/77/26/68/1169772668.db2.gz JRHZHFGNLNXVPB-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001495404030 972490114 /nfs/dbraw/zinc/49/01/14/972490114.db2.gz SIXNAKNORQAYNC-MRXNPFEDSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(Cl)CNCCCN(C)C(=O)CC[NH+](C)C ZINC001322678352 960296737 /nfs/dbraw/zinc/29/67/37/960296737.db2.gz NSYNUSCHJKMULV-UHFFFAOYSA-N 1 3 261.797 1.129 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001340846230 963153614 /nfs/dbraw/zinc/15/36/14/963153614.db2.gz JYMXSUPADSQTKR-XJFOESAGSA-N 1 3 279.428 1.563 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001343015957 963884827 /nfs/dbraw/zinc/88/48/27/963884827.db2.gz XOMUIKUBIIGXFO-SGMGOOAPSA-N 1 3 251.374 1.010 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001447807827 966882192 /nfs/dbraw/zinc/88/21/92/966882192.db2.gz YXNAFMGCXLQYRQ-UHFFFAOYSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001448611218 967171249 /nfs/dbraw/zinc/17/12/49/967171249.db2.gz BVUSNNZHPMXPEL-UONOGXRCSA-N 1 3 299.846 1.517 10 30 CDEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448611218 967171256 /nfs/dbraw/zinc/17/12/56/967171256.db2.gz BVUSNNZHPMXPEL-UONOGXRCSA-N 1 3 299.846 1.517 10 30 CDEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001500378071 974429954 /nfs/dbraw/zinc/42/99/54/974429954.db2.gz HPXNNSWFXQETAH-WBVHZDCISA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001501574111 974601510 /nfs/dbraw/zinc/60/15/10/974601510.db2.gz HEEFSIQRRJFLII-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505455777 974884921 /nfs/dbraw/zinc/88/49/21/974884921.db2.gz HWPWIUVSKDHZQV-CQSZACIVSA-N 1 3 277.412 1.191 10 30 CDEEHO C#CC[NH2+]C1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001570661430 1170225382 /nfs/dbraw/zinc/22/53/82/1170225382.db2.gz YUBBPBYQXKUPAM-UHFFFAOYSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001571157321 1170341087 /nfs/dbraw/zinc/34/10/87/1170341087.db2.gz MCOUJYYRFYHAQO-RBSFLKMASA-N 1 3 279.428 1.080 10 30 CDEEHO C#CCC[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001571334122 1170371718 /nfs/dbraw/zinc/37/17/18/1170371718.db2.gz MPCCPRBYYQNGBB-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001571334122 1170371725 /nfs/dbraw/zinc/37/17/25/1170371725.db2.gz MPCCPRBYYQNGBB-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCN1CCC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001571650374 1170509231 /nfs/dbraw/zinc/50/92/31/1170509231.db2.gz POPVTLLQSLTVDY-GJZGRUSLSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN1CCC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001571650374 1170509233 /nfs/dbraw/zinc/50/92/33/1170509233.db2.gz POPVTLLQSLTVDY-GJZGRUSLSA-N 1 3 291.439 1.178 10 30 CDEEHO CC[NH+]1CCC(N(C)C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594440530 342907064 /nfs/dbraw/zinc/90/70/64/342907064.db2.gz DWKQJBBDDMLGRL-AWEZNQCLSA-N 1 3 280.416 1.340 10 30 CDEEHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)CCCCC#N ZINC000594441587 342907395 /nfs/dbraw/zinc/90/73/95/342907395.db2.gz SWBRDSATEQSUEW-LSDHHAIUSA-N 1 3 294.443 1.778 10 30 CDEEHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)CCCCC#N ZINC000594441587 342907396 /nfs/dbraw/zinc/90/73/96/342907396.db2.gz SWBRDSATEQSUEW-LSDHHAIUSA-N 1 3 294.443 1.778 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000600715720 342244109 /nfs/dbraw/zinc/24/41/09/342244109.db2.gz HTNJTICWTVGNMH-MJBXVCDLSA-N 1 3 263.385 1.258 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000600715720 342244110 /nfs/dbraw/zinc/24/41/10/342244110.db2.gz HTNJTICWTVGNMH-MJBXVCDLSA-N 1 3 263.385 1.258 10 30 CDEEHO N#CC1(C[C@H](O)C[NH2+]CCCN2CCCC2)CC1 ZINC000600716096 342244229 /nfs/dbraw/zinc/24/42/29/342244229.db2.gz WGVLBAIIHXKAMM-ZDUSSCGKSA-N 1 3 251.374 1.117 10 30 CDEEHO N#CC1(C[C@H](O)CNCCC[NH+]2CCCC2)CC1 ZINC000600716096 342244230 /nfs/dbraw/zinc/24/42/30/342244230.db2.gz WGVLBAIIHXKAMM-ZDUSSCGKSA-N 1 3 251.374 1.117 10 30 CDEEHO C[C@H](NCCOCCC[NH3+])c1ccc(C#N)c(F)c1 ZINC000600711597 349876743 /nfs/dbraw/zinc/87/67/43/349876743.db2.gz SIPGTXQIRKDITG-NSHDSACASA-N 1 3 265.332 1.713 10 30 CDEEHO CC[C@@H](NCCOCC[NH2+]C)c1ccc(C#N)cc1 ZINC000600707674 348248887 /nfs/dbraw/zinc/24/88/87/348248887.db2.gz AAPJZJMOOYZFGN-OAHLLOKOSA-N 1 3 261.369 1.835 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001663524315 1172714754 /nfs/dbraw/zinc/71/47/54/1172714754.db2.gz XJSIKBICIGJFPW-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001663524315 1172714759 /nfs/dbraw/zinc/71/47/59/1172714759.db2.gz XJSIKBICIGJFPW-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662694942 413329469 /nfs/dbraw/zinc/32/94/69/413329469.db2.gz FAOVEBTXLQPOPD-BFYDXBDKSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CCC[NH2+]1 ZINC000662732593 413398908 /nfs/dbraw/zinc/39/89/08/413398908.db2.gz YHZDJTUTPVGZKL-UMVBOHGHSA-N 1 3 265.401 1.284 10 30 CDEEHO NC(=O)CC1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043684127 175093107 /nfs/dbraw/zinc/09/31/07/175093107.db2.gz YAGHMUHNVILYSA-UHFFFAOYSA-N 1 3 291.420 1.146 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001666919428 1173207858 /nfs/dbraw/zinc/20/78/58/1173207858.db2.gz ATBMIZGPYNEEMQ-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001667584516 1173293369 /nfs/dbraw/zinc/29/33/69/1173293369.db2.gz BLCVGNAYARVBEF-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001667584516 1173293376 /nfs/dbraw/zinc/29/33/76/1173293376.db2.gz BLCVGNAYARVBEF-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001667701757 1173311924 /nfs/dbraw/zinc/31/19/24/1173311924.db2.gz PNIHBZAJFHVYKM-HOTGVXAUSA-N 1 3 293.455 1.826 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001667701757 1173311933 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C#CC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862822 526803231 /nfs/dbraw/zinc/80/32/31/526803231.db2.gz DVMMSEKXJDHDOW-SFHVURJKSA-N 1 3 286.419 1.997 10 30 CDEEHO C#CC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862822 526803237 /nfs/dbraw/zinc/80/32/37/526803237.db2.gz DVMMSEKXJDHDOW-SFHVURJKSA-N 1 3 286.419 1.997 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001688888768 1175054728 /nfs/dbraw/zinc/05/47/28/1175054728.db2.gz NRTBIUPFOJLNHU-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001688888768 1175054733 /nfs/dbraw/zinc/05/47/33/1175054733.db2.gz NRTBIUPFOJLNHU-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[C@H](O)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923427166 618333696 /nfs/dbraw/zinc/33/36/96/618333696.db2.gz HWRPBWIRZFJBDM-LSDHHAIUSA-N 1 3 252.402 1.779 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000876772226 630564847 /nfs/dbraw/zinc/56/48/47/630564847.db2.gz JXPHWUNRWAHTCF-QWHCGFSZSA-N 1 3 287.835 1.789 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000876772226 630564849 /nfs/dbraw/zinc/56/48/49/630564849.db2.gz JXPHWUNRWAHTCF-QWHCGFSZSA-N 1 3 287.835 1.789 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000876884205 630581629 /nfs/dbraw/zinc/58/16/29/630581629.db2.gz OHCUNWOMTHTSKS-USWWRNFRSA-N 1 3 273.808 1.255 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000876884205 630581632 /nfs/dbraw/zinc/58/16/32/630581632.db2.gz OHCUNWOMTHTSKS-USWWRNFRSA-N 1 3 273.808 1.255 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000876973316 630587815 /nfs/dbraw/zinc/58/78/15/630587815.db2.gz DCXJPJSZWSAVKP-WDEREUQCSA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000876973316 630587818 /nfs/dbraw/zinc/58/78/18/630587818.db2.gz DCXJPJSZWSAVKP-WDEREUQCSA-N 1 3 259.781 1.057 10 30 CDEEHO CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001266896207 1158968331 /nfs/dbraw/zinc/96/83/31/1158968331.db2.gz XWIQMFRULMCZGB-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001691503833 1159976330 /nfs/dbraw/zinc/97/63/30/1159976330.db2.gz JOVPKSYYAPGCFX-HDJSIYSDSA-N 1 3 279.428 1.531 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H](CC)N(C)C ZINC001496821387 1160733283 /nfs/dbraw/zinc/73/32/83/1160733283.db2.gz IZXCDHBKOYKEHB-AWEZNQCLSA-N 1 3 269.433 1.683 10 30 CDEEHO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H](CC)N(C)C ZINC001496821387 1160733288 /nfs/dbraw/zinc/73/32/88/1160733288.db2.gz IZXCDHBKOYKEHB-AWEZNQCLSA-N 1 3 269.433 1.683 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001567451114 1168770616 /nfs/dbraw/zinc/77/06/16/1168770616.db2.gz DODLWYQKRWHJFY-CVEARBPZSA-N 1 3 291.439 1.770 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001567451114 1168770624 /nfs/dbraw/zinc/77/06/24/1168770624.db2.gz DODLWYQKRWHJFY-CVEARBPZSA-N 1 3 291.439 1.770 10 30 CDEEHO CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001570384056 1170148361 /nfs/dbraw/zinc/14/83/61/1170148361.db2.gz CIKNXTHAGCVWHR-CQSZACIVSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCOCC1 ZINC001671952523 1173725739 /nfs/dbraw/zinc/72/57/39/1173725739.db2.gz RLPISNGAYCNRNG-CQSZACIVSA-N 1 3 297.443 1.158 10 30 CDEEHO C=CC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001677023800 1174309703 /nfs/dbraw/zinc/30/97/03/1174309703.db2.gz PKRLXNULCUJMAL-AWEZNQCLSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001690622869 1175526810 /nfs/dbraw/zinc/52/68/10/1175526810.db2.gz AIEDESKJFALBMK-STQMWFEESA-N 1 3 255.406 1.387 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001698970609 1176001653 /nfs/dbraw/zinc/00/16/53/1176001653.db2.gz AUSRHSYNJGSRDH-CABCVRRESA-N 1 3 279.428 1.082 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC=C)C(C)C)CC1 ZINC001698980856 1176005316 /nfs/dbraw/zinc/00/53/16/1176005316.db2.gz OHUFUZFBRXLJCP-INIZCTEOSA-N 1 3 291.439 1.248 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699003034 1176033782 /nfs/dbraw/zinc/03/37/82/1176033782.db2.gz UJUFDYJEQUYUOB-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001699736987 1176597705 /nfs/dbraw/zinc/59/77/05/1176597705.db2.gz KIZAHNOCKHXJQT-CHWSQXEVSA-N 1 3 276.384 1.497 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001715378999 1179650677 /nfs/dbraw/zinc/65/06/77/1179650677.db2.gz YMIFTDBYQNLFAR-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001716482970 1180244535 /nfs/dbraw/zinc/24/45/35/1180244535.db2.gz VTWISJXPELGLPZ-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001716989510 1180494028 /nfs/dbraw/zinc/49/40/28/1180494028.db2.gz SUEZWSVFBAAPBM-OLZOCXBDSA-N 1 3 276.384 1.212 10 30 CDEEHO C=C(C)CC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCC1 ZINC001717161427 1180555144 /nfs/dbraw/zinc/55/51/44/1180555144.db2.gz DFMOTENPQPHWED-UHFFFAOYSA-N 1 3 290.411 1.855 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C ZINC001717966955 1180951310 /nfs/dbraw/zinc/95/13/10/1180951310.db2.gz UNQUUGSBGRQWHV-LSDHHAIUSA-N 1 3 295.471 1.716 10 30 CDEEHO C#CCC[NH2+][C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001731615906 1182481110 /nfs/dbraw/zinc/48/11/10/1182481110.db2.gz DDUVBRKCTYYDTK-CJNGLKHVSA-N 1 3 297.418 1.317 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001731634897 1182493546 /nfs/dbraw/zinc/49/35/46/1182493546.db2.gz SAHUKIITNSGNDV-RYUDHWBXSA-N 1 3 278.400 1.710 10 30 CDEEHO CC#CC[NH2+][C@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001732003783 1182719850 /nfs/dbraw/zinc/71/98/50/1182719850.db2.gz IBENSWSZMFQLNL-OAHLLOKOSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001732081682 1182756631 /nfs/dbraw/zinc/75/66/31/1182756631.db2.gz ADTIGGGWCANCSE-HNNXBMFYSA-N 1 3 279.428 1.439 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001732081682 1182756635 /nfs/dbraw/zinc/75/66/35/1182756635.db2.gz ADTIGGGWCANCSE-HNNXBMFYSA-N 1 3 279.428 1.439 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC=C)C2CC2)CC1 ZINC001733190357 1183325083 /nfs/dbraw/zinc/32/50/83/1183325083.db2.gz KOONZHJRIJVPNK-MRXNPFEDSA-N 1 3 289.423 1.002 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001734328707 1183734560 /nfs/dbraw/zinc/73/45/60/1183734560.db2.gz OQGXSVYOICNMPC-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[C@H](CO)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925628323 790305579 /nfs/dbraw/zinc/30/55/79/790305579.db2.gz CWBRNHBCVORJPF-CRWXNKLISA-N 1 3 252.402 1.537 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877256775 790411691 /nfs/dbraw/zinc/41/16/91/790411691.db2.gz DWZHGDRNKCGYJZ-FZMZJTMJSA-N 1 3 287.835 1.680 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000848394772 791006589 /nfs/dbraw/zinc/00/65/89/791006589.db2.gz UUGNVESVJAPDEP-OAHLLOKOSA-N 1 3 288.395 1.215 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518714 790072873 /nfs/dbraw/zinc/07/28/73/790072873.db2.gz WZVDBXBBZQNDDY-CYBMUJFWSA-N 1 3 281.787 1.274 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000876770570 792702580 /nfs/dbraw/zinc/70/25/80/792702580.db2.gz HNHXGCDOZUGJEG-UPJWGTAASA-N 1 3 287.835 1.788 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000876770570 792702597 /nfs/dbraw/zinc/70/25/97/792702597.db2.gz HNHXGCDOZUGJEG-UPJWGTAASA-N 1 3 287.835 1.788 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000876717211 794832953 /nfs/dbraw/zinc/83/29/53/794832953.db2.gz ACTLNHJPFOFBDQ-CYBMUJFWSA-N 1 3 287.835 1.788 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000876748313 796437145 /nfs/dbraw/zinc/43/71/45/796437145.db2.gz BAQPQRDLEVWXAN-WDEREUQCSA-N 1 3 259.781 1.009 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001266693073 895846378 /nfs/dbraw/zinc/84/63/78/895846378.db2.gz NWLJIVUUCIDRAA-APIJFGDWSA-N 1 3 281.444 1.918 10 30 CDEEHO C#CCC[N@@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001480914376 896591597 /nfs/dbraw/zinc/59/15/97/896591597.db2.gz XOZQUQYTLGTKEC-UHFFFAOYSA-N 1 3 267.417 1.036 10 30 CDEEHO C#CCC[N@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001480914376 896591610 /nfs/dbraw/zinc/59/16/10/896591610.db2.gz XOZQUQYTLGTKEC-UHFFFAOYSA-N 1 3 267.417 1.036 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001267986623 900200149 /nfs/dbraw/zinc/20/01/49/900200149.db2.gz NPLPKJPLFTXIQN-CQSZACIVSA-N 1 3 281.444 1.779 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001268227041 901606929 /nfs/dbraw/zinc/60/69/29/901606929.db2.gz HKEQJJLVVIVUGF-ZDUSSCGKSA-N 1 3 255.406 1.243 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268252816 901671419 /nfs/dbraw/zinc/67/14/19/901671419.db2.gz GQEVBJDLMGOHIF-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001268252816 901671422 /nfs/dbraw/zinc/67/14/22/901671422.db2.gz GQEVBJDLMGOHIF-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001482110191 902658154 /nfs/dbraw/zinc/65/81/54/902658154.db2.gz LXUNSTLRLCXTJW-KBPBESRZSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001268582111 902665574 /nfs/dbraw/zinc/66/55/74/902665574.db2.gz GAKWEDJTJLGGBE-YVACAVLKSA-N 1 3 277.412 1.004 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268582111 902665579 /nfs/dbraw/zinc/66/55/79/902665579.db2.gz GAKWEDJTJLGGBE-YVACAVLKSA-N 1 3 277.412 1.004 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001268858115 903184523 /nfs/dbraw/zinc/18/45/23/903184523.db2.gz CHQCHUFWRKVKTE-UHFFFAOYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+][C@H](CC)CNC(=O)CN(C)CC(C)(C)C ZINC001269471930 903840642 /nfs/dbraw/zinc/84/06/42/903840642.db2.gz QJMBYESEYMAUEH-CQSZACIVSA-N 1 3 281.444 1.472 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CCC)CC1 ZINC001269514989 903879625 /nfs/dbraw/zinc/87/96/25/903879625.db2.gz CJYGYJGBGGOMMM-OAHLLOKOSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)CN(C)CCC)CCCC1 ZINC001270811732 905078614 /nfs/dbraw/zinc/07/86/14/905078614.db2.gz HEVRLOBUJSOYKL-UHFFFAOYSA-N 1 3 279.428 1.370 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001505456247 906995310 /nfs/dbraw/zinc/99/53/10/906995310.db2.gz QQSRZIZAKUSMHF-GJZGRUSLSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001505456247 906995331 /nfs/dbraw/zinc/99/53/31/906995331.db2.gz QQSRZIZAKUSMHF-GJZGRUSLSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCCN1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567914185 1169063648 /nfs/dbraw/zinc/06/36/48/1169063648.db2.gz ARFLMWKDCMKRHT-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCCN1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567914185 1169063658 /nfs/dbraw/zinc/06/36/58/1169063658.db2.gz ARFLMWKDCMKRHT-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001272992411 921335121 /nfs/dbraw/zinc/33/51/21/921335121.db2.gz CAGWGQYGXGUBLB-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CC[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001483471108 911161147 /nfs/dbraw/zinc/16/11/47/911161147.db2.gz WJDFIJGDHHQKGB-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001483955727 915241399 /nfs/dbraw/zinc/24/13/99/915241399.db2.gz PWOPRWSLKKHKGR-AWEZNQCLSA-N 1 3 265.401 1.239 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001484941518 916297801 /nfs/dbraw/zinc/29/78/01/916297801.db2.gz IOXRSHHMXBAZHM-HUUCEWRRSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001484941518 916297818 /nfs/dbraw/zinc/29/78/18/916297818.db2.gz IOXRSHHMXBAZHM-HUUCEWRRSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[NH2+][C@@H](CCN(C)C(=O)CN(C)C(C)C)C(C)C ZINC001485440950 916970521 /nfs/dbraw/zinc/97/05/21/916970521.db2.gz CMBXHIFNXAKLPV-INIZCTEOSA-N 1 3 295.471 1.813 10 30 CDEEHO C=CCC[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001485922658 920579007 /nfs/dbraw/zinc/57/90/07/920579007.db2.gz PCDVAZZUGPJSPK-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491111994 936858185 /nfs/dbraw/zinc/85/81/85/936858185.db2.gz XBKRDCBHRNPMDA-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491111994 936858187 /nfs/dbraw/zinc/85/81/87/936858187.db2.gz XBKRDCBHRNPMDA-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001274447334 931501212 /nfs/dbraw/zinc/50/12/12/931501212.db2.gz VWGFKCPXPFZMFL-AWEZNQCLSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001275115619 931668858 /nfs/dbraw/zinc/66/88/58/931668858.db2.gz PORZTWVTJSVNIN-HNNXBMFYSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001275115619 931668859 /nfs/dbraw/zinc/66/88/59/931668859.db2.gz PORZTWVTJSVNIN-HNNXBMFYSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001122057012 937902531 /nfs/dbraw/zinc/90/25/31/937902531.db2.gz YYEUJZRQYHKBKL-HZPDHXFCSA-N 1 3 293.455 1.908 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001122103024 937905485 /nfs/dbraw/zinc/90/54/85/937905485.db2.gz RZYQXAJOVLENTI-STQMWFEESA-N 1 3 267.417 1.564 10 30 CDEEHO C=C[C@H](COC)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001205489331 939893406 /nfs/dbraw/zinc/89/34/06/939893406.db2.gz OMMGWJXNKTYOMQ-QQFBHYJXSA-N 1 3 282.428 1.811 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CCC=C)CC1 ZINC001568713738 1169443074 /nfs/dbraw/zinc/44/30/74/1169443074.db2.gz JAICOPSGOFKKFS-OAHLLOKOSA-N 1 3 291.439 1.392 10 30 CDEEHO CC#CCNC1(CNC(=O)CCCC[NH+](C)C)CCC1 ZINC001280533574 942458613 /nfs/dbraw/zinc/45/86/13/942458613.db2.gz CKCAOUXWIWWMAL-UHFFFAOYSA-N 1 3 279.428 1.370 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)N(C)C ZINC001264559381 944148831 /nfs/dbraw/zinc/14/88/31/944148831.db2.gz DEOZENIAGHMENL-PMPSAXMXSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001265497460 944409317 /nfs/dbraw/zinc/40/93/17/944409317.db2.gz PLSCHEHQRGLOQL-BZUAXINKSA-N 1 3 291.439 1.509 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001265684322 944468302 /nfs/dbraw/zinc/46/83/02/944468302.db2.gz TUDHFERKSLFNOT-AWEZNQCLSA-N 1 3 276.384 1.499 10 30 CDEEHO C=CC[NH+]1CCC(C)(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001278079637 944714151 /nfs/dbraw/zinc/71/41/51/944714151.db2.gz KTCZLTHXMFWREL-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001479368026 971313616 /nfs/dbraw/zinc/31/36/16/971313616.db2.gz APLHWSAOVXABCN-BZUAXINKSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001278572712 950215729 /nfs/dbraw/zinc/21/57/29/950215729.db2.gz QKKMQQMLGJRRJL-GDBMZVCRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCOCC1 ZINC001278728926 951944669 /nfs/dbraw/zinc/94/46/69/951944669.db2.gz XNTBJQKUGGELGX-AWEZNQCLSA-N 1 3 297.443 1.158 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001329032530 955641253 /nfs/dbraw/zinc/64/12/53/955641253.db2.gz GLBSGHAEKOIJKB-KGLIPLIRSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001493847540 972125089 /nfs/dbraw/zinc/12/50/89/972125089.db2.gz XMRPLKZSLUSLNI-HIFRSBDPSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)CN(C)C(C)C)C(C)C ZINC001493878558 972132347 /nfs/dbraw/zinc/13/23/47/972132347.db2.gz KSXOAWOLVFEXOE-UHFFFAOYSA-N 1 3 281.444 1.567 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)CN(C)C(C)C)C(C)C ZINC001493878558 972132354 /nfs/dbraw/zinc/13/23/54/972132354.db2.gz KSXOAWOLVFEXOE-UHFFFAOYSA-N 1 3 281.444 1.567 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([NH3+])(CC)CC1 ZINC001330959657 956729837 /nfs/dbraw/zinc/72/98/37/956729837.db2.gz CQKDWYZXQBXHFB-SNVBAGLBSA-N 1 3 259.781 1.186 10 30 CDEEHO C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001317011969 956926810 /nfs/dbraw/zinc/92/68/10/956926810.db2.gz FSSOKVGEQPLEHI-CVEARBPZSA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001331347758 956983015 /nfs/dbraw/zinc/98/30/15/956983015.db2.gz OPHXGTBUQSKQIM-HZPDHXFCSA-N 1 3 295.471 1.975 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001317530354 957530805 /nfs/dbraw/zinc/53/08/05/957530805.db2.gz WNCZAXBVFRKOGO-HNNXBMFYSA-N 1 3 293.455 1.426 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001317530354 957530811 /nfs/dbraw/zinc/53/08/11/957530811.db2.gz WNCZAXBVFRKOGO-HNNXBMFYSA-N 1 3 293.455 1.426 10 30 CDEEHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001318228846 957987313 /nfs/dbraw/zinc/98/73/13/957987313.db2.gz UIWOPYCYHDIYRM-HOTGVXAUSA-N 1 3 291.439 1.724 10 30 CDEEHO C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001333042617 958040235 /nfs/dbraw/zinc/04/02/35/958040235.db2.gz ILNFESCDBVJTMV-NRXISQOPSA-N 1 3 279.428 1.626 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001319113997 958382484 /nfs/dbraw/zinc/38/24/84/958382484.db2.gz RGSYUARSNLVPBC-CYBMUJFWSA-N 1 3 262.357 1.109 10 30 CDEEHO C=C(C)CC[NH2+]CCN(CC)C(=O)CN1CC[C@@H](C)C1 ZINC001320841512 959420211 /nfs/dbraw/zinc/42/02/11/959420211.db2.gz ZHOYCXCAAUHKRK-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(Cl)CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001369564936 959761163 /nfs/dbraw/zinc/76/11/63/959761163.db2.gz QZVXHCZVYROUJL-LBPRGKRZSA-N 1 3 289.851 1.811 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001321514634 959830924 /nfs/dbraw/zinc/83/09/24/959830924.db2.gz YOHJTAQMSGJVOL-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1CC ZINC001569343108 1169773200 /nfs/dbraw/zinc/77/32/00/1169773200.db2.gz PCTTVYYXCWRYQO-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC001341407784 963403838 /nfs/dbraw/zinc/40/38/38/963403838.db2.gz RXJDAFAOVNRGMA-CQSZACIVSA-N 1 3 281.444 1.894 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001357999538 969677928 /nfs/dbraw/zinc/67/79/28/969677928.db2.gz HOKYENBTKKCWSI-YNEHKIRRSA-N 1 3 251.374 1.023 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H](CC)N(C)C)C1CCCC1 ZINC001500111966 974376476 /nfs/dbraw/zinc/37/64/76/974376476.db2.gz SBQOZEGDVHVTED-CVEARBPZSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001501679415 974622437 /nfs/dbraw/zinc/62/24/37/974622437.db2.gz PDRWFUPCHNQTIK-AWEZNQCLSA-N 1 3 287.407 1.538 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCCF)CC1 ZINC001675051479 1174067346 /nfs/dbraw/zinc/06/73/46/1174067346.db2.gz ZLYZILZRVKKYFS-CQSZACIVSA-N 1 3 297.418 1.128 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCCF)CC1 ZINC001675051479 1174067352 /nfs/dbraw/zinc/06/73/52/1174067352.db2.gz ZLYZILZRVKKYFS-CQSZACIVSA-N 1 3 297.418 1.128 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001675185293 1174082679 /nfs/dbraw/zinc/08/26/79/1174082679.db2.gz QMAKDEBQZBTSDJ-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CCN(C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001677198978 1174331541 /nfs/dbraw/zinc/33/15/41/1174331541.db2.gz NTOGMWDGPIEBGI-INIZCTEOSA-N 1 3 293.455 1.683 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)C ZINC001677301787 1174346553 /nfs/dbraw/zinc/34/65/53/1174346553.db2.gz JWSOYFPMUXPUNB-ZDUSSCGKSA-N 1 3 278.400 1.567 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001569968493 1170049858 /nfs/dbraw/zinc/04/98/58/1170049858.db2.gz JXYIVHMQOKFBDS-CABCVRRESA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001570386257 1170149506 /nfs/dbraw/zinc/14/95/06/1170149506.db2.gz WYRDDWFJFARUEV-UHFFFAOYSA-N 1 3 265.401 1.239 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001570715922 1170251293 /nfs/dbraw/zinc/25/12/93/1170251293.db2.gz JVPWCWUYZNOYEB-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001570715922 1170251298 /nfs/dbraw/zinc/25/12/98/1170251298.db2.gz JVPWCWUYZNOYEB-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCN1CCC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001571650375 1170509461 /nfs/dbraw/zinc/50/94/61/1170509461.db2.gz POPVTLLQSLTVDY-LSDHHAIUSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN1CCC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001571650375 1170509463 /nfs/dbraw/zinc/50/94/63/1170509463.db2.gz POPVTLLQSLTVDY-LSDHHAIUSA-N 1 3 291.439 1.178 10 30 CDEEHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594439784 342906773 /nfs/dbraw/zinc/90/67/73/342906773.db2.gz ZSVCYMRGBXTVOQ-GJZGRUSLSA-N 1 3 294.443 1.492 10 30 CDEEHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594439784 342906774 /nfs/dbraw/zinc/90/67/74/342906774.db2.gz ZSVCYMRGBXTVOQ-GJZGRUSLSA-N 1 3 294.443 1.492 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000594443238 342908003 /nfs/dbraw/zinc/90/80/03/342908003.db2.gz BDBHPZAMWSTJLE-OLZOCXBDSA-N 1 3 266.389 1.128 10 30 CDEEHO C[C@@H](CCNC[C@H](O)CC1(C#N)CC1)[NH+]1CCCCC1 ZINC000600733812 342245999 /nfs/dbraw/zinc/24/59/99/342245999.db2.gz FKQLMAZBLVXOSJ-LSDHHAIUSA-N 1 3 279.428 1.895 10 30 CDEEHO C[C@@H](CC[NH2+]C[C@H](O)CC1(C#N)CC1)N1CCCCC1 ZINC000600733812 342246000 /nfs/dbraw/zinc/24/60/00/342246000.db2.gz FKQLMAZBLVXOSJ-LSDHHAIUSA-N 1 3 279.428 1.895 10 30 CDEEHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CCCCC#N ZINC000595943072 343204339 /nfs/dbraw/zinc/20/43/39/343204339.db2.gz IGURPRXXMUJOLW-CABCVRRESA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@H](C#N)CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596692420 343373557 /nfs/dbraw/zinc/37/35/57/343373557.db2.gz FXTGFVLAMSAYNJ-KGLIPLIRSA-N 1 3 297.447 1.059 10 30 CDEEHO C[C@H](C#N)CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596692420 343373558 /nfs/dbraw/zinc/37/35/58/343373558.db2.gz FXTGFVLAMSAYNJ-KGLIPLIRSA-N 1 3 297.447 1.059 10 30 CDEEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC#N ZINC000597051982 343442117 /nfs/dbraw/zinc/44/21/17/343442117.db2.gz HSCNXQWZOIYJMI-GJZGRUSLSA-N 1 3 294.443 1.411 10 30 CDEEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC#N ZINC000597051982 343442120 /nfs/dbraw/zinc/44/21/20/343442120.db2.gz HSCNXQWZOIYJMI-GJZGRUSLSA-N 1 3 294.443 1.411 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661734124 1172437728 /nfs/dbraw/zinc/43/77/28/1172437728.db2.gz PGBISPBWOOGOIQ-OAHLLOKOSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001668581144 1173428797 /nfs/dbraw/zinc/42/87/97/1173428797.db2.gz DIFNTIQPIKZFBK-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001668581144 1173428802 /nfs/dbraw/zinc/42/88/02/1173428802.db2.gz DIFNTIQPIKZFBK-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C1CC1 ZINC000262469379 330015318 /nfs/dbraw/zinc/01/53/18/330015318.db2.gz RZMOALSFKKCICD-FRRDWIJNSA-N 1 3 250.390 1.174 10 30 CDEEHO C#CCN1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001700183752 1176785888 /nfs/dbraw/zinc/78/58/88/1176785888.db2.gz GJOCAFCFAPUPKK-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001481857315 1159950876 /nfs/dbraw/zinc/95/08/76/1159950876.db2.gz UUZJLAAUWGGONN-HZPDHXFCSA-N 1 3 293.455 1.757 10 30 CDEEHO C=C(C)CN1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001716851079 1180441393 /nfs/dbraw/zinc/44/13/93/1180441393.db2.gz KGJSYZCURSUIMK-HNNXBMFYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CN1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001716851079 1180441396 /nfs/dbraw/zinc/44/13/96/1180441396.db2.gz KGJSYZCURSUIMK-HNNXBMFYSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001731506754 1182424852 /nfs/dbraw/zinc/42/48/52/1182424852.db2.gz IXEUJDWOBIVKAD-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001731506754 1182424857 /nfs/dbraw/zinc/42/48/57/1182424857.db2.gz IXEUJDWOBIVKAD-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCN(CC=C)C[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052376693 518771237 /nfs/dbraw/zinc/77/12/37/518771237.db2.gz DDBMDALRNRJBJC-GJZGRUSLSA-N 1 3 250.386 1.960 10 30 CDEEHO COc1ccc(C#CC[NH3+])cc1CN1CCCC[C@H]1CO ZINC000049609782 523512684 /nfs/dbraw/zinc/51/26/84/523512684.db2.gz FRHQBFSYPQYDIF-INIZCTEOSA-N 1 3 288.391 1.352 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001689801768 1175262465 /nfs/dbraw/zinc/26/24/65/1175262465.db2.gz AUEITGGJCDSFEF-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001689801768 1175262469 /nfs/dbraw/zinc/26/24/69/1175262469.db2.gz AUEITGGJCDSFEF-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO CC[N@H+](CCNC(=O)[C@H](N)CCCCC#N)C(C)C ZINC000848412720 617439816 /nfs/dbraw/zinc/43/98/16/617439816.db2.gz AGOUAJFPIJESOA-CYBMUJFWSA-N 1 3 268.405 1.244 10 30 CDEEHO CC[N@@H+](CCNC(=O)[C@H](N)CCCCC#N)C(C)C ZINC000848412720 617439820 /nfs/dbraw/zinc/43/98/20/617439820.db2.gz AGOUAJFPIJESOA-CYBMUJFWSA-N 1 3 268.405 1.244 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872277048 1165408378 /nfs/dbraw/zinc/40/83/78/1165408378.db2.gz OBXVASQKKCGDER-QWRGUYRKSA-N 1 3 273.808 1.351 10 30 CDEEHO C=CCN1CCC(N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001566699159 1168391211 /nfs/dbraw/zinc/39/12/11/1168391211.db2.gz DUNUMEWPWKTIKW-OAHLLOKOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN1CCC(N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001566699159 1168391217 /nfs/dbraw/zinc/39/12/17/1168391217.db2.gz DUNUMEWPWKTIKW-OAHLLOKOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001568545864 1169358164 /nfs/dbraw/zinc/35/81/64/1169358164.db2.gz UJDHQXFYZQGTOL-KBPBESRZSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001569562801 1169925457 /nfs/dbraw/zinc/92/54/57/1169925457.db2.gz ZFIYUHUTVRMGGO-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CC[NH2+][C@H](CCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001571351496 1170379003 /nfs/dbraw/zinc/37/90/03/1170379003.db2.gz WYKBGOZXIKCTAG-LSDHHAIUSA-N 1 3 279.428 1.082 10 30 CDEEHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001656346235 1171809950 /nfs/dbraw/zinc/80/99/50/1171809950.db2.gz QIYCDOSYXWRVLW-QLFBSQMISA-N 1 3 279.428 1.389 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]C(C)C)CC1 ZINC001665887437 1173079595 /nfs/dbraw/zinc/07/95/95/1173079595.db2.gz ADNDPSJCHVNZJG-HNNXBMFYSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001667493205 1173275442 /nfs/dbraw/zinc/27/54/42/1173275442.db2.gz GZUDGUUFGNCUKW-HNNXBMFYSA-N 1 3 295.471 1.718 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672209493 1173752395 /nfs/dbraw/zinc/75/23/95/1173752395.db2.gz OZHBTBJZVPFARO-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001690435397 1175469729 /nfs/dbraw/zinc/46/97/29/1175469729.db2.gz BJCLOJHUIQWSCZ-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CC[NH2+][C@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001690862967 1175593805 /nfs/dbraw/zinc/59/38/05/1175593805.db2.gz QIMHMJFNYZHLGZ-CYBMUJFWSA-N 1 3 267.417 1.082 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001691909667 1175649849 /nfs/dbraw/zinc/64/98/49/1175649849.db2.gz ZRUINPIIASMRKB-HOTGVXAUSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001691909667 1175649855 /nfs/dbraw/zinc/64/98/55/1175649855.db2.gz ZRUINPIIASMRKB-HOTGVXAUSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001692098420 1175677139 /nfs/dbraw/zinc/67/71/39/1175677139.db2.gz XGGJEWWRQWCQCV-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001692127791 1175680798 /nfs/dbraw/zinc/68/07/98/1175680798.db2.gz CFIKQLFYOLHMHV-CQSZACIVSA-N 1 3 290.411 1.889 10 30 CDEEHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001699702983 1176571010 /nfs/dbraw/zinc/57/10/10/1176571010.db2.gz DIJUPTLNIVYLLZ-QGZVFWFLSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001699702983 1176571018 /nfs/dbraw/zinc/57/10/18/1176571018.db2.gz DIJUPTLNIVYLLZ-QGZVFWFLSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001700132065 1176763745 /nfs/dbraw/zinc/76/37/45/1176763745.db2.gz NYPMOLDPUCBNAU-UHFFFAOYSA-N 1 3 277.412 1.123 10 30 CDEEHO CC#CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001700272682 1176827056 /nfs/dbraw/zinc/82/70/56/1176827056.db2.gz QMTCBJRLUHHLKJ-LSDHHAIUSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001700481489 1176971748 /nfs/dbraw/zinc/97/17/48/1176971748.db2.gz SAVXOJBGRUZEBL-CQSZACIVSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCN(CCCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001713775286 1178746827 /nfs/dbraw/zinc/74/68/27/1178746827.db2.gz HHPSARJUAYGWDQ-UHFFFAOYSA-N 1 3 291.439 1.466 10 30 CDEEHO C=C(C)C[N@@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001714559341 1179217462 /nfs/dbraw/zinc/21/74/62/1179217462.db2.gz DMGWBTKGPQUHNF-UHFFFAOYSA-N 1 3 269.433 1.588 10 30 CDEEHO C=C(C)C[N@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001714559341 1179217471 /nfs/dbraw/zinc/21/74/71/1179217471.db2.gz DMGWBTKGPQUHNF-UHFFFAOYSA-N 1 3 269.433 1.588 10 30 CDEEHO C#CCC[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001714827931 1179412967 /nfs/dbraw/zinc/41/29/67/1179412967.db2.gz FERTXMKERUJEBD-UHFFFAOYSA-N 1 3 290.411 1.501 10 30 CDEEHO C#CCC[N@H+](CCCNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001714827931 1179412972 /nfs/dbraw/zinc/41/29/72/1179412972.db2.gz FERTXMKERUJEBD-UHFFFAOYSA-N 1 3 290.411 1.501 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001715334293 1179630572 /nfs/dbraw/zinc/63/05/72/1179630572.db2.gz CPKVSGLOLHTUKC-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCNC[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715368846 1179646012 /nfs/dbraw/zinc/64/60/12/1179646012.db2.gz MJXOYOHGDUEJSY-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001716984525 1180491412 /nfs/dbraw/zinc/49/14/12/1180491412.db2.gz KHIJYRJWKLLDQG-CABCVRRESA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001717757848 1180832565 /nfs/dbraw/zinc/83/25/65/1180832565.db2.gz RIRZIJYMDRSAGH-CQSZACIVSA-N 1 3 269.433 1.729 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001717886894 1180913771 /nfs/dbraw/zinc/91/37/71/1180913771.db2.gz IUCWEQYYKPOGMQ-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001722915893 1181493574 /nfs/dbraw/zinc/49/35/74/1181493574.db2.gz JDUWIOBGNNHFHD-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001722915893 1181493577 /nfs/dbraw/zinc/49/35/77/1181493577.db2.gz JDUWIOBGNNHFHD-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001724854040 1181775736 /nfs/dbraw/zinc/77/57/36/1181775736.db2.gz WHNYBXXMAVHFFZ-UHFFFAOYSA-N 1 3 291.439 1.418 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731270974 1182285605 /nfs/dbraw/zinc/28/56/05/1182285605.db2.gz FMMIORSSHFCHNR-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001731270974 1182285611 /nfs/dbraw/zinc/28/56/11/1182285611.db2.gz FMMIORSSHFCHNR-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001731556727 1182446782 /nfs/dbraw/zinc/44/67/82/1182446782.db2.gz BIGRKCQJCZVVON-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001731556727 1182446786 /nfs/dbraw/zinc/44/67/86/1182446786.db2.gz BIGRKCQJCZVVON-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001732134586 1182794080 /nfs/dbraw/zinc/79/40/80/1182794080.db2.gz PCQYWACDFHQTOV-AWEZNQCLSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001733326744 1183398300 /nfs/dbraw/zinc/39/83/00/1183398300.db2.gz HYCNCSQPDKHQRC-KGLIPLIRSA-N 1 3 290.411 1.888 10 30 CDEEHO C#CCCN1CC[C@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001733409284 1183424480 /nfs/dbraw/zinc/42/44/80/1183424480.db2.gz BTMJBNMZAQHFLI-RDJZCZTQSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001734294945 1183716644 /nfs/dbraw/zinc/71/66/44/1183716644.db2.gz HYTHUPYCUYCDCC-HNNXBMFYSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000876881376 1165933348 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C#CCC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001266617542 895597778 /nfs/dbraw/zinc/59/77/78/895597778.db2.gz NZSPRGVBBYDJJQ-HNNXBMFYSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001266617542 895597783 /nfs/dbraw/zinc/59/77/83/895597783.db2.gz NZSPRGVBBYDJJQ-HNNXBMFYSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001267332708 897618125 /nfs/dbraw/zinc/61/81/25/897618125.db2.gz QIXXXBUEOBFLQB-CQSZACIVSA-N 1 3 267.417 1.339 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001267987830 900202447 /nfs/dbraw/zinc/20/24/47/900202447.db2.gz ZJOXCKJVHSURAW-OAHLLOKOSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268482856 902323716 /nfs/dbraw/zinc/32/37/16/902323716.db2.gz YUSFOWFXNMEIEL-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268482856 902323725 /nfs/dbraw/zinc/32/37/25/902323725.db2.gz YUSFOWFXNMEIEL-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCC[C@@H](C)[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001268837813 903170350 /nfs/dbraw/zinc/17/03/50/903170350.db2.gz HKHWURXPDNPUBS-CQSZACIVSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)CN(C)CCC)C(C)(C)C ZINC001284642559 904133471 /nfs/dbraw/zinc/13/34/71/904133471.db2.gz GIFOKNQPFHNTGM-CYBMUJFWSA-N 1 3 267.417 1.082 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001484745811 916111958 /nfs/dbraw/zinc/11/19/58/916111958.db2.gz UMHZHIXRMONTLH-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001484745811 916111963 /nfs/dbraw/zinc/11/19/63/916111963.db2.gz UMHZHIXRMONTLH-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001484941517 916298751 /nfs/dbraw/zinc/29/87/51/916298751.db2.gz IOXRSHHMXBAZHM-GJZGRUSLSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001484941517 916298765 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C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001490983728 936837242 /nfs/dbraw/zinc/83/72/42/936837242.db2.gz PGAYAAYIXOIAKM-JKSUJKDBSA-N 1 3 291.439 1.273 10 30 CDEEHO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001490983728 936837244 /nfs/dbraw/zinc/83/72/44/936837244.db2.gz PGAYAAYIXOIAKM-JKSUJKDBSA-N 1 3 291.439 1.273 10 30 CDEEHO C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001491472346 936921507 /nfs/dbraw/zinc/92/15/07/936921507.db2.gz BRJQUINTLOCDCK-KGLIPLIRSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001490422094 927170183 /nfs/dbraw/zinc/17/01/83/927170183.db2.gz QIKPZHRNMVAMOB-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001490774362 927337861 /nfs/dbraw/zinc/33/78/61/927337861.db2.gz AGIBHYJHPLJIPI-CVEARBPZSA-N 1 3 293.455 1.376 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001490774362 927337872 /nfs/dbraw/zinc/33/78/72/927337872.db2.gz AGIBHYJHPLJIPI-CVEARBPZSA-N 1 3 293.455 1.376 10 30 CDEEHO C=CCOCC[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931286824 933530797 /nfs/dbraw/zinc/53/07/97/933530797.db2.gz WCEWLUWLRCYUGR-UHFFFAOYSA-N 1 3 268.401 1.376 10 30 CDEEHO C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001276432227 939717200 /nfs/dbraw/zinc/71/72/00/939717200.db2.gz KYCNAOIVCIJAKQ-GOEBONIOSA-N 1 3 295.471 1.975 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001282478463 942720543 /nfs/dbraw/zinc/72/05/43/942720543.db2.gz RBIJTYIZXQNHRV-OLZOCXBDSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001282478463 942720548 /nfs/dbraw/zinc/72/05/48/942720548.db2.gz RBIJTYIZXQNHRV-OLZOCXBDSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001265446594 944390684 /nfs/dbraw/zinc/39/06/84/944390684.db2.gz KXZDBOPHCDBBKB-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CCN[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001265845879 944537008 /nfs/dbraw/zinc/53/70/08/944537008.db2.gz HDJNINVDWUEYLG-AWEZNQCLSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCC[N@H+](C)CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001265845344 944538157 /nfs/dbraw/zinc/53/81/57/944538157.db2.gz KOCIIEZPAYZJFQ-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CCC[N@@H+](C)CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001265845344 944538167 /nfs/dbraw/zinc/53/81/67/944538167.db2.gz KOCIIEZPAYZJFQ-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001265964046 944603307 /nfs/dbraw/zinc/60/33/07/944603307.db2.gz PTGVDYNYYMFFMX-KGLIPLIRSA-N 1 3 265.401 1.095 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001480024620 971542548 /nfs/dbraw/zinc/54/25/48/971542548.db2.gz LWRUOYZMZZNGHZ-JKSUJKDBSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480089681 971571853 /nfs/dbraw/zinc/57/18/53/971571853.db2.gz NTQVJSXXMKQSNT-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480089681 971571861 /nfs/dbraw/zinc/57/18/61/971571861.db2.gz NTQVJSXXMKQSNT-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001327225939 954781934 /nfs/dbraw/zinc/78/19/34/954781934.db2.gz SXOQJZXXROFDEC-HNNXBMFYSA-N 1 3 281.444 1.376 10 30 CDEEHO C#CCC[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001327225939 954781942 /nfs/dbraw/zinc/78/19/42/954781942.db2.gz SXOQJZXXROFDEC-HNNXBMFYSA-N 1 3 281.444 1.376 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001329032529 955641064 /nfs/dbraw/zinc/64/10/64/955641064.db2.gz GLBSGHAEKOIJKB-KBPBESRZSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001492164894 955662006 /nfs/dbraw/zinc/66/20/06/955662006.db2.gz ITTKHJWYQCPHAF-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001492164894 955662015 /nfs/dbraw/zinc/66/20/15/955662015.db2.gz ITTKHJWYQCPHAF-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001480663666 956396011 /nfs/dbraw/zinc/39/60/11/956396011.db2.gz KYJLPJCXUYIJRV-JKSUJKDBSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001317087593 957260974 /nfs/dbraw/zinc/26/09/74/957260974.db2.gz NOFZSFWZXZATFF-HDJSIYSDSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001319186751 958421841 /nfs/dbraw/zinc/42/18/41/958421841.db2.gz XXXVUZMOTQLEAK-AWEZNQCLSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CC[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001319550505 958624446 /nfs/dbraw/zinc/62/44/46/958624446.db2.gz GEKNJBDWEURILD-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCNC[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001319593731 958642708 /nfs/dbraw/zinc/64/27/08/958642708.db2.gz QMKHXYMQPYFHDK-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001319688193 958687929 /nfs/dbraw/zinc/68/79/29/958687929.db2.gz AIGFSFUIERRXLU-HUUCEWRRSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001320550537 959238474 /nfs/dbraw/zinc/23/84/74/959238474.db2.gz YEXVOPUGPVKJIN-ZDUSSCGKSA-N 1 3 269.433 1.635 10 30 CDEEHO C=CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001321188663 959644643 /nfs/dbraw/zinc/64/46/43/959644643.db2.gz JMZXGNXLCRDORL-PSKZRQQASA-N 1 3 265.401 1.309 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC001341564881 963465180 /nfs/dbraw/zinc/46/51/80/963465180.db2.gz QFVAMRTXMQLUQN-VWYCJHECSA-N 1 3 293.333 1.266 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001342646277 963786206 /nfs/dbraw/zinc/78/62/06/963786206.db2.gz RLUUSSMWCFWBGN-AGIUHOORSA-N 1 3 253.390 1.113 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001343217184 963930493 /nfs/dbraw/zinc/93/04/93/963930493.db2.gz MYTXYKASIAFCDF-JONQDZQNSA-N 1 3 293.455 1.859 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC001346289769 965030577 /nfs/dbraw/zinc/03/05/77/965030577.db2.gz ZOOBGXHVCQRHEO-XJKSGUPXSA-N 1 3 292.427 1.160 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001505462311 974886485 /nfs/dbraw/zinc/88/64/85/974886485.db2.gz OKYZHTJRFUHFBP-OAHLLOKOSA-N 1 3 277.412 1.028 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001505462311 974886489 /nfs/dbraw/zinc/88/64/89/974886489.db2.gz OKYZHTJRFUHFBP-OAHLLOKOSA-N 1 3 277.412 1.028 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001402491888 976313372 /nfs/dbraw/zinc/31/33/72/976313372.db2.gz INIZVBJLXRKLFB-MGPQQGTHSA-N 1 3 299.846 1.850 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001402491888 976313383 /nfs/dbraw/zinc/31/33/83/976313383.db2.gz INIZVBJLXRKLFB-MGPQQGTHSA-N 1 3 299.846 1.850 10 30 CDEEHO C=C(Cl)CN[C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001390718715 976453914 /nfs/dbraw/zinc/45/39/14/976453914.db2.gz 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342906158 /nfs/dbraw/zinc/90/61/58/342906158.db2.gz KUJGYVHNQBQMRN-HUUCEWRRSA-N 1 3 292.427 1.388 10 30 CDEEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC#N ZINC000597051985 343442298 /nfs/dbraw/zinc/44/22/98/343442298.db2.gz HSCNXQWZOIYJMI-LSDHHAIUSA-N 1 3 294.443 1.411 10 30 CDEEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC#N ZINC000597051985 343442301 /nfs/dbraw/zinc/44/23/01/343442301.db2.gz HSCNXQWZOIYJMI-LSDHHAIUSA-N 1 3 294.443 1.411 10 30 CDEEHO CN(CC#CC[N@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352222868 529823253 /nfs/dbraw/zinc/82/32/53/529823253.db2.gz SQHITWDXDICZFZ-IYBDPMFKSA-N 1 3 280.412 1.211 10 30 CDEEHO CN(CC#CC[N@@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352222868 529823255 /nfs/dbraw/zinc/82/32/55/529823255.db2.gz SQHITWDXDICZFZ-IYBDPMFKSA-N 1 3 280.412 1.211 10 30 CDEEHO CN(CC#CC[N@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352222868 529823257 /nfs/dbraw/zinc/82/32/57/529823257.db2.gz SQHITWDXDICZFZ-IYBDPMFKSA-N 1 3 280.412 1.211 10 30 CDEEHO CN(CC#CC[N@@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352222868 529823258 /nfs/dbraw/zinc/82/32/58/529823258.db2.gz SQHITWDXDICZFZ-IYBDPMFKSA-N 1 3 280.412 1.211 10 30 CDEEHO C=CC[N@@H+](C)CCCNC(=O)CN(C)C1CCC1 ZINC001660169532 1172170433 /nfs/dbraw/zinc/17/04/33/1172170433.db2.gz AEQSLAZLRXPSGN-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[N@H+](C)CCCNC(=O)CN(C)C1CCC1 ZINC001660169532 1172170439 /nfs/dbraw/zinc/17/04/39/1172170439.db2.gz AEQSLAZLRXPSGN-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CCN(C)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001660364789 1172204079 /nfs/dbraw/zinc/20/40/79/1172204079.db2.gz DOQOROQWWFDKJT-UHFFFAOYSA-N 1 3 291.439 1.180 10 30 CDEEHO CCN(C)C[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528396932 367824593 /nfs/dbraw/zinc/82/45/93/367824593.db2.gz QDNOVWAOBQVKQL-ZIAGYGMSSA-N 1 3 265.401 1.315 10 30 CDEEHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528396932 367824596 /nfs/dbraw/zinc/82/45/96/367824596.db2.gz QDNOVWAOBQVKQL-ZIAGYGMSSA-N 1 3 265.401 1.315 10 30 CDEEHO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)N ZINC000423454801 374383218 /nfs/dbraw/zinc/38/32/18/374383218.db2.gz ZPHKMOTYZBAAMN-UONOGXRCSA-N 1 3 286.423 1.848 10 30 CDEEHO C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)[NH3+] ZINC000423454801 374383224 /nfs/dbraw/zinc/38/32/24/374383224.db2.gz ZPHKMOTYZBAAMN-UONOGXRCSA-N 1 3 286.423 1.848 10 30 CDEEHO CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001662010920 1172476716 /nfs/dbraw/zinc/47/67/16/1172476716.db2.gz NSSAULDFXDLJPF-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001662010920 1172476718 /nfs/dbraw/zinc/47/67/18/1172476718.db2.gz NSSAULDFXDLJPF-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001663288976 1172668541 /nfs/dbraw/zinc/66/85/41/1172668541.db2.gz YCAJPSLMABZTTJ-UHFFFAOYSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001663461623 1172697977 /nfs/dbraw/zinc/69/79/77/1172697977.db2.gz NYRJGFGSKILFPH-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO COC[C@H](CCC[NH3+])NCc1ccc(C#N)c(F)c1 ZINC000404831159 392441650 /nfs/dbraw/zinc/44/16/50/392441650.db2.gz IKKRPEPFBMZJTN-ZDUSSCGKSA-N 1 3 265.332 1.541 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCC[NH2+]1 ZINC000662835633 413572722 /nfs/dbraw/zinc/57/27/22/413572722.db2.gz QPDQCJPXFXHTHP-BFYDXBDKSA-N 1 3 291.439 1.818 10 30 CDEEHO C[NH+](C)C1CCN(Cc2ccc(C#CCN)s2)CC1 ZINC000043683697 175091971 /nfs/dbraw/zinc/09/19/71/175091971.db2.gz GHXSMVPBTUTCAW-UHFFFAOYSA-N 1 3 277.437 1.584 10 30 CDEEHO NCC#Cc1csc(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000043688835 175095671 /nfs/dbraw/zinc/09/56/71/175095671.db2.gz MOEKBXLZNYHLGF-CQSZACIVSA-N 1 3 278.421 1.795 10 30 CDEEHO NCC#Cc1csc(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000043688835 175095673 /nfs/dbraw/zinc/09/56/73/175095673.db2.gz MOEKBXLZNYHLGF-CQSZACIVSA-N 1 3 278.421 1.795 10 30 CDEEHO CN1CC[C@H](C[N@H+](C)Cc2ccccc2C#CCO)C1 ZINC000071190495 176066642 /nfs/dbraw/zinc/06/66/42/176066642.db2.gz FIUFFMBRFCLFNA-HNNXBMFYSA-N 1 3 272.392 1.414 10 30 CDEEHO CN1CC[C@H](C[N@@H+](C)Cc2ccccc2C#CCO)C1 ZINC000071190495 176066643 /nfs/dbraw/zinc/06/66/43/176066643.db2.gz FIUFFMBRFCLFNA-HNNXBMFYSA-N 1 3 272.392 1.414 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001672838883 1173804594 /nfs/dbraw/zinc/80/45/94/1173804594.db2.gz GOYQKWSFQFTJNZ-UONOGXRCSA-N 1 3 299.846 1.661 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001690584149 1175512344 /nfs/dbraw/zinc/51/23/44/1175512344.db2.gz GOFSOWLOLHDYNW-KGLIPLIRSA-N 1 3 281.444 1.920 10 30 CDEEHO CN(C)Cc1ccc(C[NH+]=C(N(C)C)N(C)C)cc1 ZINC000263276703 330051279 /nfs/dbraw/zinc/05/12/79/330051279.db2.gz YRFGWVIXPZMFCG-UHFFFAOYSA-N 1 3 262.401 1.727 10 30 CDEEHO C=C(C)CN1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001269083685 1160029378 /nfs/dbraw/zinc/02/93/78/1160029378.db2.gz JIJNMPKPXRWODM-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CN1CC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001269083685 1160029386 /nfs/dbraw/zinc/02/93/86/1160029386.db2.gz JIJNMPKPXRWODM-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001691603237 1160715016 /nfs/dbraw/zinc/71/50/16/1160715016.db2.gz WURAOZCJBCXSNL-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001713951369 1178883220 /nfs/dbraw/zinc/88/32/20/1178883220.db2.gz XHTICRDMOGRGFG-JOCQHMNTSA-N 1 3 265.401 1.284 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001731852408 1182627114 /nfs/dbraw/zinc/62/71/14/1182627114.db2.gz WPCCYSQCRLHOLA-CYBMUJFWSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001731852408 1182627118 /nfs/dbraw/zinc/62/71/18/1182627118.db2.gz WPCCYSQCRLHOLA-CYBMUJFWSA-N 1 3 265.401 1.095 10 30 CDEEHO C[NH+](C)C1CCN(Cc2ccc(F)cc2C#CCN)CC1 ZINC000049609199 524040279 /nfs/dbraw/zinc/04/02/79/524040279.db2.gz DKALXGNMXLUUSC-UHFFFAOYSA-N 1 3 289.398 1.662 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000877266311 618420152 /nfs/dbraw/zinc/42/01/52/618420152.db2.gz QKGVQUGBWSUDEZ-SDDRHHMPSA-N 1 3 271.792 1.057 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266766688 1158814066 /nfs/dbraw/zinc/81/40/66/1158814066.db2.gz IPZKEMAKGAZLSG-HOTGVXAUSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266766688 1158814077 /nfs/dbraw/zinc/81/40/77/1158814077.db2.gz IPZKEMAKGAZLSG-HOTGVXAUSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001733046088 1160469721 /nfs/dbraw/zinc/46/97/21/1160469721.db2.gz VNUWIEWLZBXVFW-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001733046088 1160469727 /nfs/dbraw/zinc/46/97/27/1160469727.db2.gz VNUWIEWLZBXVFW-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCCC[NH+](CC)CC ZINC000876724956 1165900741 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C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001489207260 926826863 /nfs/dbraw/zinc/82/68/63/926826863.db2.gz SDLSYQGVSJSFFF-CVEARBPZSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001489329506 926875898 /nfs/dbraw/zinc/87/58/98/926875898.db2.gz AOSWQCBQKHBBLG-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001489329506 926875910 /nfs/dbraw/zinc/87/59/10/926875910.db2.gz AOSWQCBQKHBBLG-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO N#Cc1ccc2c(c1)C[C@H](N[C@H]1C[C@H]([NH3+])C13CCC3)C2 ZINC000925728638 932933630 /nfs/dbraw/zinc/93/36/30/932933630.db2.gz MIMFWWDTJVJPBP-PMPSAXMXSA-N 1 3 267.376 1.885 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568782076 1169473196 /nfs/dbraw/zinc/47/31/96/1169473196.db2.gz ZUXVMKMTNPAGAQ-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001280186685 942423113 /nfs/dbraw/zinc/42/31/13/942423113.db2.gz RXDIJANGBIJKKH-JKSUJKDBSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001283296476 942873680 /nfs/dbraw/zinc/87/36/80/942873680.db2.gz JOHCOGAMMBWDAD-OAHLLOKOSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001283296476 942873685 /nfs/dbraw/zinc/87/36/85/942873685.db2.gz JOHCOGAMMBWDAD-OAHLLOKOSA-N 1 3 279.428 1.580 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001283558347 942933986 /nfs/dbraw/zinc/93/39/86/942933986.db2.gz YCMNHLZCNUPEMY-OAHLLOKOSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CCN1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001284070972 943068685 /nfs/dbraw/zinc/06/86/85/943068685.db2.gz VTKASSJWSVPCOR-GOEBONIOSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001277662816 943262964 /nfs/dbraw/zinc/26/29/64/943262964.db2.gz OPHXGTBUQSKQIM-HOTGVXAUSA-N 1 3 295.471 1.975 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001264739045 944172681 /nfs/dbraw/zinc/17/26/81/944172681.db2.gz OOZGLTHEVHZFJF-HOTGVXAUSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001264739045 944172683 /nfs/dbraw/zinc/17/26/83/944172683.db2.gz OOZGLTHEVHZFJF-HOTGVXAUSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCCN1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266222096 944768056 /nfs/dbraw/zinc/76/80/56/944768056.db2.gz NPURXNCHXRFBCN-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCCN1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266222096 944768064 /nfs/dbraw/zinc/76/80/64/944768064.db2.gz NPURXNCHXRFBCN-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001480711384 971847663 /nfs/dbraw/zinc/84/76/63/971847663.db2.gz ZGNXKNBLZXGXPN-CABCVRRESA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001325755018 954061895 /nfs/dbraw/zinc/06/18/95/954061895.db2.gz XPBDKNXZJLSEJK-OWCLPIDISA-N 1 3 293.455 1.683 10 30 CDEEHO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001325755018 954061903 /nfs/dbraw/zinc/06/19/03/954061903.db2.gz XPBDKNXZJLSEJK-OWCLPIDISA-N 1 3 293.455 1.683 10 30 CDEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001326363952 954338284 /nfs/dbraw/zinc/33/82/84/954338284.db2.gz IMYBORQHNISSEX-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001340165499 956703812 /nfs/dbraw/zinc/70/38/12/956703812.db2.gz VJGXNXJNWUIZKY-DZGCQCFKSA-N 1 3 265.401 1.272 10 30 CDEEHO C=CCC[NH2+][C@H](C)CCNC(=O)Cc1nc[nH]c1C ZINC001317413577 957461085 /nfs/dbraw/zinc/46/10/85/957461085.db2.gz YHQHSJVRMWNTII-LLVKDONJSA-N 1 3 264.373 1.321 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C(=O)CN1CCCC1)C(C)C ZINC001332741536 957704141 /nfs/dbraw/zinc/70/41/41/957704141.db2.gz ZGNHSRRBZFIEKS-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C(=O)CN1CCCC1)C(C)C ZINC001332741536 957704151 /nfs/dbraw/zinc/70/41/51/957704151.db2.gz ZGNHSRRBZFIEKS-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001320110889 958944141 /nfs/dbraw/zinc/94/41/41/958944141.db2.gz IZHDBBBOQXMOMO-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001320110889 958944157 /nfs/dbraw/zinc/94/41/57/958944157.db2.gz IZHDBBBOQXMOMO-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321056994 959563990 /nfs/dbraw/zinc/56/39/90/959563990.db2.gz LQVQEYSVIVSBQP-LFAOLKIESA-N 1 3 277.412 1.145 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001321056994 959564004 /nfs/dbraw/zinc/56/40/04/959564004.db2.gz LQVQEYSVIVSBQP-LFAOLKIESA-N 1 3 277.412 1.145 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001496603481 972984942 /nfs/dbraw/zinc/98/49/42/972984942.db2.gz SGORHQJWTSABSQ-KBPBESRZSA-N 1 3 267.417 1.245 10 30 CDEEHO C#CC[NH+]1CCC(C)(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001569700598 1169970028 /nfs/dbraw/zinc/97/00/28/1169970028.db2.gz GPFUQSMQCHQODR-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001674396555 1173937851 /nfs/dbraw/zinc/93/78/51/1173937851.db2.gz YMPMXBXINQTECI-CVEARBPZSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001570252145 1170122230 /nfs/dbraw/zinc/12/22/30/1170122230.db2.gz FLVNPZRETQLXDM-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594438042 342905913 /nfs/dbraw/zinc/90/59/13/342905913.db2.gz MIUAZXVGXQONOM-LSDHHAIUSA-N 1 3 294.443 1.778 10 30 CDEEHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594438042 342905914 /nfs/dbraw/zinc/90/59/14/342905914.db2.gz MIUAZXVGXQONOM-LSDHHAIUSA-N 1 3 294.443 1.778 10 30 CDEEHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)CCCCC#N)CC[C@H]21 ZINC000594443124 342908098 /nfs/dbraw/zinc/90/80/98/342908098.db2.gz LNJVSNAHANEZBM-QLFBSQMISA-N 1 3 292.427 1.340 10 30 CDEEHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)CCCCC#N)CC[C@H]21 ZINC000594443124 342908099 /nfs/dbraw/zinc/90/80/99/342908099.db2.gz LNJVSNAHANEZBM-QLFBSQMISA-N 1 3 292.427 1.340 10 30 CDEEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716789 342244335 /nfs/dbraw/zinc/24/43/35/342244335.db2.gz MJJSMGHPZMODKC-XHSDSOJGSA-N 1 3 293.455 1.999 10 30 CDEEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716789 342244336 /nfs/dbraw/zinc/24/43/36/342244336.db2.gz MJJSMGHPZMODKC-XHSDSOJGSA-N 1 3 293.455 1.999 10 30 CDEEHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716789 342244337 /nfs/dbraw/zinc/24/43/37/342244337.db2.gz MJJSMGHPZMODKC-XHSDSOJGSA-N 1 3 293.455 1.999 10 30 CDEEHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594424407 342903970 /nfs/dbraw/zinc/90/39/70/342903970.db2.gz DDPVDPJRVXFLAX-SWLSCSKDSA-N 1 3 288.395 1.734 10 30 CDEEHO CC[C@](C)(C#N)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000597942707 343674245 /nfs/dbraw/zinc/67/42/45/343674245.db2.gz LROVEEYLCRSNSK-DZGCQCFKSA-N 1 3 282.432 1.314 10 30 CDEEHO CC[C@](C)(C#N)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000597942707 343674246 /nfs/dbraw/zinc/67/42/46/343674246.db2.gz LROVEEYLCRSNSK-DZGCQCFKSA-N 1 3 282.432 1.314 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001660476876 1172218712 /nfs/dbraw/zinc/21/87/12/1172218712.db2.gz ZOVBFXLSPAEQOW-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO CN1C[C@@H]2C[N@@H+](CCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193621283 375883206 /nfs/dbraw/zinc/88/32/06/375883206.db2.gz PDOVFDVXYBLBQD-GASCZTMLSA-N 1 3 271.364 1.430 10 30 CDEEHO CN1C[C@@H]2C[N@H+](CCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193621283 375883213 /nfs/dbraw/zinc/88/32/13/375883213.db2.gz PDOVFDVXYBLBQD-GASCZTMLSA-N 1 3 271.364 1.430 10 30 CDEEHO C=CC[C@@]1(C(=O)N(C)C[C@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000662684171 413305804 /nfs/dbraw/zinc/30/58/04/413305804.db2.gz BCFXYVUTWOQGBK-HOCLYGCPSA-N 1 3 279.428 1.485 10 30 CDEEHO COCCN(Cc1ccccc1C#CC[NH3+])[C@@H](C)COC ZINC000042609999 174823036 /nfs/dbraw/zinc/82/30/36/174823036.db2.gz DZWSBLISWMOHCH-HNNXBMFYSA-N 1 3 290.407 1.480 10 30 CDEEHO C[NH+](C)CC1CCN(CC[C@@](C)(C#N)NC2CC2)CC1 ZINC000045182216 175325366 /nfs/dbraw/zinc/32/53/66/175325366.db2.gz CZWVKUCFVUHDAB-INIZCTEOSA-N 1 3 278.444 1.684 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CCC=C)CC1 ZINC001665888511 1173080302 /nfs/dbraw/zinc/08/03/02/1173080302.db2.gz TYFRYYLDXXHAEO-INIZCTEOSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001667290161 1173251894 /nfs/dbraw/zinc/25/18/94/1173251894.db2.gz GLVODGCVSXEDIO-CQSZACIVSA-N 1 3 276.384 1.499 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001669877110 1173622179 /nfs/dbraw/zinc/62/21/79/1173622179.db2.gz CAJPQIQAIHMHJR-UONOGXRCSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001669877110 1173622182 /nfs/dbraw/zinc/62/21/82/1173622182.db2.gz CAJPQIQAIHMHJR-UONOGXRCSA-N 1 3 269.433 1.585 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001672228452 1173753529 /nfs/dbraw/zinc/75/35/29/1173753529.db2.gz PVSYWDVZCCPTSE-KGLIPLIRSA-N 1 3 290.411 1.745 10 30 CDEEHO C=CCNC(N[C@@H]1CCN(C2CCCC2)C1)=[NH+]CC ZINC000262813109 330033580 /nfs/dbraw/zinc/03/35/80/330033580.db2.gz RLOTUTUUUFLFNR-CYBMUJFWSA-N 1 3 264.417 1.744 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261724836 482920973 /nfs/dbraw/zinc/92/09/73/482920973.db2.gz KLADOOTYQNMSKV-TZMCWYRMSA-N 1 3 265.401 1.128 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCNC(=O)CN(C)CC(C)(C)C ZINC001712972243 1178279020 /nfs/dbraw/zinc/27/90/20/1178279020.db2.gz QRIJPAOQJQUSTF-UHFFFAOYSA-N 1 3 283.460 1.979 10 30 CDEEHO C=C(C)C[N@H+](C)CCCNC(=O)CN(C)CC(C)(C)C ZINC001712972243 1178279027 /nfs/dbraw/zinc/27/90/27/1178279027.db2.gz QRIJPAOQJQUSTF-UHFFFAOYSA-N 1 3 283.460 1.979 10 30 CDEEHO C#CCNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001716465681 1180225595 /nfs/dbraw/zinc/22/55/95/1180225595.db2.gz HEIHFNQRVBCMGJ-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO CCCN1CCN(Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049608705 519859064 /nfs/dbraw/zinc/85/90/64/519859064.db2.gz FIEGHUSYFOGWKT-UHFFFAOYSA-N 1 3 289.398 1.664 10 30 CDEEHO CCCN[C@H](C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000062436815 520059098 /nfs/dbraw/zinc/05/90/98/520059098.db2.gz WFNATLZFALEGFU-HNNXBMFYSA-N 1 3 266.433 1.542 10 30 CDEEHO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(C#CCN)c1 ZINC000061655673 521834765 /nfs/dbraw/zinc/83/47/65/521834765.db2.gz ZREPALURGTVSOA-INIZCTEOSA-N 1 3 285.391 1.163 10 30 CDEEHO C[N@H+](Cc1ccccc1C#CCN)[C@H]1CCSC1 ZINC000049608996 523360284 /nfs/dbraw/zinc/36/02/84/523360284.db2.gz IBWAEJAZTVJTPZ-HNNXBMFYSA-N 1 3 260.406 1.934 10 30 CDEEHO C[N@@H+](Cc1ccccc1C#CCN)[C@H]1CCSC1 ZINC000049608996 523360292 /nfs/dbraw/zinc/36/02/92/523360292.db2.gz IBWAEJAZTVJTPZ-HNNXBMFYSA-N 1 3 260.406 1.934 10 30 CDEEHO C[C@H]1CC[N@H+](CCOc2ccc(C#CCN)cc2)C1 ZINC000049609454 524288626 /nfs/dbraw/zinc/28/86/26/524288626.db2.gz HWPKLHLCOGYFHC-AWEZNQCLSA-N 1 3 258.365 1.717 10 30 CDEEHO C[C@H]1CC[N@@H+](CCOc2ccc(C#CCN)cc2)C1 ZINC000049609454 524288632 /nfs/dbraw/zinc/28/86/32/524288632.db2.gz HWPKLHLCOGYFHC-AWEZNQCLSA-N 1 3 258.365 1.717 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCN(CC)C1 ZINC000900589038 623264109 /nfs/dbraw/zinc/26/41/09/623264109.db2.gz JBTYUOQQEWHXLM-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000913815903 630794721 /nfs/dbraw/zinc/79/47/21/630794721.db2.gz UIESULRFFYKNDU-KBPBESRZSA-N 1 3 265.401 1.189 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001266409600 1158534629 /nfs/dbraw/zinc/53/46/29/1158534629.db2.gz MURIECTZVATLHV-HZPDHXFCSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001670469709 1158613203 /nfs/dbraw/zinc/61/32/03/1158613203.db2.gz KVWIMVHESIQFPV-CABCVRRESA-N 1 3 279.428 1.530 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001568514729 1169343124 /nfs/dbraw/zinc/34/31/24/1169343124.db2.gz BEEHKTNNUMDCRZ-CVEARBPZSA-N 1 3 293.455 1.826 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001568514729 1169343132 /nfs/dbraw/zinc/34/31/32/1169343132.db2.gz BEEHKTNNUMDCRZ-CVEARBPZSA-N 1 3 293.455 1.826 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCCC1 ZINC001570801529 1170282292 /nfs/dbraw/zinc/28/22/92/1170282292.db2.gz YLBJXTUYXLFUJB-OAHLLOKOSA-N 1 3 291.439 1.370 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001699641895 1176541359 /nfs/dbraw/zinc/54/13/59/1176541359.db2.gz JGDIXZDMJBIHJX-OAHLLOKOSA-N 1 3 279.428 1.629 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CCC1 ZINC001700131861 1176764095 /nfs/dbraw/zinc/76/40/95/1176764095.db2.gz IPGQIZWEXALTAJ-OAHLLOKOSA-N 1 3 291.439 1.513 10 30 CDEEHO C#CCNC1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001700141679 1176768673 /nfs/dbraw/zinc/76/86/73/1176768673.db2.gz GFOXIZWBVHOYNJ-GJZGRUSLSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001700272679 1176826776 /nfs/dbraw/zinc/82/67/76/1176826776.db2.gz QMTCBJRLUHHLKJ-CABCVRRESA-N 1 3 293.455 1.424 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001700321032 1176848589 /nfs/dbraw/zinc/84/85/89/1176848589.db2.gz VRBTWWXNKROTFP-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC2CC2)CC1 ZINC001700430083 1176925260 /nfs/dbraw/zinc/92/52/60/1176925260.db2.gz KHQAFOWUNJVQCH-KGLIPLIRSA-N 1 3 291.439 1.224 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001714657659 1179304071 /nfs/dbraw/zinc/30/40/71/1179304071.db2.gz VDFXNSFMMSGJDE-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001715141189 1179563206 /nfs/dbraw/zinc/56/32/06/1179563206.db2.gz FOFBIIOZVZRYHQ-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCNC[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715368849 1179646104 /nfs/dbraw/zinc/64/61/04/1179646104.db2.gz MJXOYOHGDUEJSY-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001716368430 1180170076 /nfs/dbraw/zinc/17/00/76/1180170076.db2.gz RZAQTBARQCAQQH-JBZXTQMFSA-N 1 3 277.412 1.002 10 30 CDEEHO C=C(C)CC[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001717394162 1180646002 /nfs/dbraw/zinc/64/60/02/1180646002.db2.gz ADOLNMPBZCHQNM-UHFFFAOYSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)CN1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001725289858 1181953664 /nfs/dbraw/zinc/95/36/64/1181953664.db2.gz MPIJBHGTXUGPDK-CYBMUJFWSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCN1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001731385916 1182348868 /nfs/dbraw/zinc/34/88/68/1182348868.db2.gz OYOCMLRMWMYRPO-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CCC)CC1 ZINC001731385916 1182348873 /nfs/dbraw/zinc/34/88/73/1182348873.db2.gz OYOCMLRMWMYRPO-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001732465013 1182979115 /nfs/dbraw/zinc/97/91/15/1182979115.db2.gz UMMKHVGVUPUNIB-HNNXBMFYSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001733183410 1183321179 /nfs/dbraw/zinc/32/11/79/1183321179.db2.gz OSYCWTBKCCMUFH-HNNXBMFYSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCCN1CC[C@H](N(CCC)C(=O)CC[N@H+](C)CC)C1 ZINC001691866706 1164289441 /nfs/dbraw/zinc/28/94/41/1164289441.db2.gz FCKACYILBCAOEV-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO C#CCCN1CC[C@H](N(CCC)C(=O)CC[N@@H+](C)CC)C1 ZINC001691866706 1164289448 /nfs/dbraw/zinc/28/94/48/1164289448.db2.gz FCKACYILBCAOEV-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO COC[C@H](C)NC(=[NH2+])NCCN(C)C1CCCCC1 ZINC000303897658 818398580 /nfs/dbraw/zinc/39/85/80/818398580.db2.gz QTHCFHFXRAIMQF-LBPRGKRZSA-N 1 3 270.421 1.190 10 30 CDEEHO N#CCCC[C@H](N)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000818551914 819327040 /nfs/dbraw/zinc/32/70/40/819327040.db2.gz UDMQULPAZVLFIP-AWEZNQCLSA-N 1 3 286.379 1.446 10 30 CDEEHO C[N@H+](C[C@@H](O)CN[C@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240731 819365584 /nfs/dbraw/zinc/36/55/84/819365584.db2.gz ZMEAUECJRIQOHN-RDJZCZTQSA-N 1 3 285.391 1.070 10 30 CDEEHO C[N@@H+](C[C@@H](O)CN[C@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240731 819365590 /nfs/dbraw/zinc/36/55/90/819365590.db2.gz ZMEAUECJRIQOHN-RDJZCZTQSA-N 1 3 285.391 1.070 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000876933007 820295277 /nfs/dbraw/zinc/29/52/77/820295277.db2.gz BTNYEXOFOQWHPC-NWDGAFQWSA-N 1 3 285.819 1.447 10 30 CDEEHO C[NH+]=C(NCC(F)F)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262012722 821684419 /nfs/dbraw/zinc/68/44/19/821684419.db2.gz XBJNTMNQXZRILF-VHSXEESVSA-N 1 3 262.348 1.145 10 30 CDEEHO C[NH+]=C(NCC1CCC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262017216 821824146 /nfs/dbraw/zinc/82/41/46/821824146.db2.gz XZNBEWMJRBORGM-GXTWGEPZSA-N 1 3 266.433 1.680 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000876829879 822378438 /nfs/dbraw/zinc/37/84/38/822378438.db2.gz STAIWFNIFPRVAL-GFCCVEGCSA-N 1 3 285.819 1.449 10 30 CDEEHO C#CCCN1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001566665256 1168377302 /nfs/dbraw/zinc/37/73/02/1168377302.db2.gz PAPYHEACGXEIRV-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCCN1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001566665256 1168377305 /nfs/dbraw/zinc/37/73/05/1168377305.db2.gz PAPYHEACGXEIRV-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001266533593 895257457 /nfs/dbraw/zinc/25/74/57/895257457.db2.gz MTGXIRYONLXTQP-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCCN1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267792326 899738508 /nfs/dbraw/zinc/73/85/08/899738508.db2.gz YGCMJWXFSHJRQR-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001567701107 1168925888 /nfs/dbraw/zinc/92/58/88/1168925888.db2.gz BQUOZJSKAYTPAR-HOTGVXAUSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001567701107 1168925892 /nfs/dbraw/zinc/92/58/92/1168925892.db2.gz BQUOZJSKAYTPAR-HOTGVXAUSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001268160870 901454233 /nfs/dbraw/zinc/45/42/33/901454233.db2.gz WMLKIBAOOJYZEC-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001268704586 902987710 /nfs/dbraw/zinc/98/77/10/902987710.db2.gz JQNMAWSBZUHCLN-ZDUSSCGKSA-N 1 3 267.417 1.082 10 30 CDEEHO C=C(C)CN1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001269296382 903670962 /nfs/dbraw/zinc/67/09/62/903670962.db2.gz MXLHRKDVWBCWHP-INIZCTEOSA-N 1 3 293.455 1.971 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CCC)CC1 ZINC001269514987 903880930 /nfs/dbraw/zinc/88/09/30/903880930.db2.gz CJYGYJGBGGOMMM-HNNXBMFYSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001482434026 905394496 /nfs/dbraw/zinc/39/44/96/905394496.db2.gz NDMZEXIMIOIGQK-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)CN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001567884635 1169040035 /nfs/dbraw/zinc/04/00/35/1169040035.db2.gz YCEIAOIQDAGSQE-HNNXBMFYSA-N 1 3 279.428 1.629 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CCCC=C)CC1 ZINC001483296406 910815977 /nfs/dbraw/zinc/81/59/77/910815977.db2.gz HTFRGBXIMYNWKO-HNNXBMFYSA-N 1 3 291.439 1.392 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483339776 910935336 /nfs/dbraw/zinc/93/53/36/910935336.db2.gz SSZGJNOXJGNTJB-OAHLLOKOSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483339776 910935354 /nfs/dbraw/zinc/93/53/54/910935354.db2.gz SSZGJNOXJGNTJB-OAHLLOKOSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001483793865 915071982 /nfs/dbraw/zinc/07/19/82/915071982.db2.gz NBVCNAJKIKUBHO-KBPBESRZSA-N 1 3 279.428 1.674 10 30 CDEEHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484161691 915485241 /nfs/dbraw/zinc/48/52/41/915485241.db2.gz YHKIUMQHBVNPLL-KRWDZBQOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484161691 915485250 /nfs/dbraw/zinc/48/52/50/915485250.db2.gz YHKIUMQHBVNPLL-KRWDZBQOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001484378290 915692413 /nfs/dbraw/zinc/69/24/13/915692413.db2.gz WOUUXKQXOFTEKJ-GJZGRUSLSA-N 1 3 295.471 1.834 10 30 CDEEHO C=C(C)C[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCOCC1 ZINC001484870414 916219508 /nfs/dbraw/zinc/21/95/08/916219508.db2.gz DEOLJCIKMNITHD-AWEZNQCLSA-N 1 3 297.443 1.158 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)N(C)C)CCO1 ZINC001273277077 925740492 /nfs/dbraw/zinc/74/04/92/925740492.db2.gz PVSFOPDEYSAUEB-LSDHHAIUSA-N 1 3 297.443 1.110 10 30 CDEEHO C=C(Cl)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820073646 930877726 /nfs/dbraw/zinc/87/77/26/930877726.db2.gz CWBWEELFRYDHJJ-LBPRGKRZSA-N 1 3 290.839 1.310 10 30 CDEEHO C=C(Cl)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820073646 930877733 /nfs/dbraw/zinc/87/77/33/930877733.db2.gz CWBWEELFRYDHJJ-LBPRGKRZSA-N 1 3 290.839 1.310 10 30 CDEEHO C=C(C)CC[NH2+]C/C=C\CNC(=O)CN1CC[C@H](C)C1 ZINC001274368455 931494402 /nfs/dbraw/zinc/49/44/02/931494402.db2.gz LMQJAEMKBSJORE-XVWMLYKFSA-N 1 3 279.428 1.556 10 30 CDEEHO C=CC[NH2+]C1(C)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001274382392 931495172 /nfs/dbraw/zinc/49/51/72/931495172.db2.gz NCZPNODIGBIQSA-UHFFFAOYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+][C@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001329766168 941031939 /nfs/dbraw/zinc/03/19/39/941031939.db2.gz WADNGORIFHQJDS-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[N@@H+](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001277441981 942579012 /nfs/dbraw/zinc/57/90/12/942579012.db2.gz WIKCTIDQQHDDQR-HNNXBMFYSA-N 1 3 279.428 1.273 10 30 CDEEHO CC#CC[N@H+](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001277441981 942579017 /nfs/dbraw/zinc/57/90/17/942579017.db2.gz WIKCTIDQQHDDQR-HNNXBMFYSA-N 1 3 279.428 1.273 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001281939418 942633406 /nfs/dbraw/zinc/63/34/06/942633406.db2.gz FZAHHTPESDIHCD-GJZGRUSLSA-N 1 3 299.434 1.775 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001281939418 942633409 /nfs/dbraw/zinc/63/34/09/942633409.db2.gz FZAHHTPESDIHCD-GJZGRUSLSA-N 1 3 299.434 1.775 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001281939416 942633761 /nfs/dbraw/zinc/63/37/61/942633761.db2.gz FZAHHTPESDIHCD-CABCVRRESA-N 1 3 299.434 1.775 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001281939416 942633763 /nfs/dbraw/zinc/63/37/63/942633763.db2.gz FZAHHTPESDIHCD-CABCVRRESA-N 1 3 299.434 1.775 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001282240009 942682995 /nfs/dbraw/zinc/68/29/95/942682995.db2.gz AYJIFBZMUMKSLG-STQMWFEESA-N 1 3 255.406 1.386 10 30 CDEEHO CC#CC[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCCC1 ZINC001282636630 942734657 /nfs/dbraw/zinc/73/46/57/942734657.db2.gz QXBCNBNQWHJCJG-UHFFFAOYSA-N 1 3 293.455 1.759 10 30 CDEEHO C#CCC[NH2+][C@H](CCNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001277570113 943021700 /nfs/dbraw/zinc/02/17/00/943021700.db2.gz VTNMWABPNLZTFU-OAHLLOKOSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C ZINC001284639523 943231299 /nfs/dbraw/zinc/23/12/99/943231299.db2.gz AQFZSCBYWWDHDU-CHWSQXEVSA-N 1 3 267.417 1.080 10 30 CDEEHO C#CCC[NH+]1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001266197987 944748704 /nfs/dbraw/zinc/74/87/04/944748704.db2.gz UWGDOEFQEPTMMG-UHFFFAOYSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001479368028 971313534 /nfs/dbraw/zinc/31/35/34/971313534.db2.gz APLHWSAOVXABCN-JYJNAYRXSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCCN1CC ZINC001568969946 1169568478 /nfs/dbraw/zinc/56/84/78/1169568478.db2.gz RFTAGBRVXWPSFY-LZNQSLFOSA-N 1 3 279.428 1.699 10 30 CDEEHO C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001278679052 951611067 /nfs/dbraw/zinc/61/10/67/951611067.db2.gz ZCJGWCPDKPNVJW-GOEBONIOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001278679052 951611072 /nfs/dbraw/zinc/61/10/72/951611072.db2.gz ZCJGWCPDKPNVJW-GOEBONIOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[N@@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001327258855 954795999 /nfs/dbraw/zinc/79/59/99/954795999.db2.gz UZQLCOGEHRFPMY-OAHLLOKOSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCC[N@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001327258855 954796007 /nfs/dbraw/zinc/79/60/07/954796007.db2.gz UZQLCOGEHRFPMY-OAHLLOKOSA-N 1 3 281.444 1.685 10 30 CDEEHO C#CCC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001328875868 955529279 /nfs/dbraw/zinc/52/92/79/955529279.db2.gz MCOUJYYRFYHAQO-NRXISQOPSA-N 1 3 279.428 1.080 10 30 CDEEHO C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001331001569 956753976 /nfs/dbraw/zinc/75/39/76/956753976.db2.gz OYULDOASONOYMB-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001331001569 956753981 /nfs/dbraw/zinc/75/39/81/956753981.db2.gz OYULDOASONOYMB-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317060260 957236543 /nfs/dbraw/zinc/23/65/43/957236543.db2.gz ZRKMQHCDUCFZMX-ZDUSSCGKSA-N 1 3 265.401 1.237 10 30 CDEEHO C#CC[NH+]1CCC(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001319031627 958343682 /nfs/dbraw/zinc/34/36/82/958343682.db2.gz LSXILCMAJMUZJR-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001319688194 958688393 /nfs/dbraw/zinc/68/83/93/958688393.db2.gz AIGFSFUIERRXLU-LSDHHAIUSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001569327022 1169768064 /nfs/dbraw/zinc/76/80/64/1169768064.db2.gz FIMHDSBNPXXPJP-CABCVRRESA-N 1 3 281.444 1.633 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001321334525 959729230 /nfs/dbraw/zinc/72/92/30/959729230.db2.gz AWJBHBONZQWOEI-YCZSJOHXSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CCC[C@@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001560831941 961015612 /nfs/dbraw/zinc/01/56/12/961015612.db2.gz WTCBETHRAAHSFI-CGZBRXJRSA-N 1 3 296.455 1.937 10 30 CDEEHO C=C(C)CCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001353737977 968196616 /nfs/dbraw/zinc/19/66/16/968196616.db2.gz BVKREJBBMGGXNM-AWEZNQCLSA-N 1 3 269.433 1.731 10 30 CDEEHO C=C(C)CCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001353737977 968196622 /nfs/dbraw/zinc/19/66/22/968196622.db2.gz BVKREJBBMGGXNM-AWEZNQCLSA-N 1 3 269.433 1.731 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001357993667 969677010 /nfs/dbraw/zinc/67/70/10/969677010.db2.gz PZTFHAAVOHFKFP-IHRRRGAJSA-N 1 3 265.401 1.223 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001357993667 969677014 /nfs/dbraw/zinc/67/70/14/969677014.db2.gz PZTFHAAVOHFKFP-IHRRRGAJSA-N 1 3 265.401 1.223 10 30 CDEEHO C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC001522417815 970431251 /nfs/dbraw/zinc/43/12/51/970431251.db2.gz MHDGFOITZDHZIH-MELADBBJSA-N 1 3 265.401 1.365 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001498771375 974056787 /nfs/dbraw/zinc/05/67/87/974056787.db2.gz YFZORDVSISBDIT-CVEARBPZSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001499074790 974179001 /nfs/dbraw/zinc/17/90/01/974179001.db2.gz YUDKZITYONYUOI-MRXNPFEDSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001499372265 974245312 /nfs/dbraw/zinc/24/53/12/974245312.db2.gz WBSUAJOZDWZSKV-CQSZACIVSA-N 1 3 279.428 1.675 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCOCC1 ZINC001569732652 1169979547 /nfs/dbraw/zinc/97/95/47/1169979547.db2.gz RLPISNGAYCNRNG-AWEZNQCLSA-N 1 3 297.443 1.158 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001503015774 974809924 /nfs/dbraw/zinc/80/99/24/974809924.db2.gz WQVJKYLCCYTMLV-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001503015774 974809928 /nfs/dbraw/zinc/80/99/28/974809928.db2.gz WQVJKYLCCYTMLV-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001503503161 974823877 /nfs/dbraw/zinc/82/38/77/974823877.db2.gz ULPIHEUMXXMGJD-HOTGVXAUSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001505455494 974886132 /nfs/dbraw/zinc/88/61/32/974886132.db2.gz BQSZKYYBZVRAPE-CABCVRRESA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001505455494 974886135 /nfs/dbraw/zinc/88/61/35/974886135.db2.gz BQSZKYYBZVRAPE-CABCVRRESA-N 1 3 281.444 1.826 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001569829366 1170009224 /nfs/dbraw/zinc/00/92/24/1170009224.db2.gz XULGVSKEPAIXIT-UONOGXRCSA-N 1 3 267.417 1.339 10 30 CDEEHO C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001393900595 977954473 /nfs/dbraw/zinc/95/44/73/977954473.db2.gz JLXYBBSTBLASDR-BPCQOVAHSA-N 1 3 287.835 1.564 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001676222805 1174193506 /nfs/dbraw/zinc/19/35/06/1174193506.db2.gz ZUDSBZRSGVBNMU-HNNXBMFYSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001570772313 1170276620 /nfs/dbraw/zinc/27/66/20/1170276620.db2.gz HFEMMTSSUHNLPQ-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCN1CCC([NH2+]Cc2cnccc2N(C)C)CC1 ZINC001655528887 1171699143 /nfs/dbraw/zinc/69/91/43/1171699143.db2.gz LGVOGXUDMFYYMJ-UHFFFAOYSA-N 1 3 274.412 1.888 10 30 CDEEHO C=CC[NH+]1CCC(NCc2cnccc2N(C)C)CC1 ZINC001655528887 1171699150 /nfs/dbraw/zinc/69/91/50/1171699150.db2.gz LGVOGXUDMFYYMJ-UHFFFAOYSA-N 1 3 274.412 1.888 10 30 CDEEHO C[N@H+](CCNC(=O)[C@@H](N)CCCCC#N)C1CCCC1 ZINC000594436607 342899514 /nfs/dbraw/zinc/89/95/14/342899514.db2.gz DROBYCCFXZWSOH-AWEZNQCLSA-N 1 3 280.416 1.388 10 30 CDEEHO C[N@@H+](CCNC(=O)[C@@H](N)CCCCC#N)C1CCCC1 ZINC000594436607 342899515 /nfs/dbraw/zinc/89/95/15/342899515.db2.gz DROBYCCFXZWSOH-AWEZNQCLSA-N 1 3 280.416 1.388 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000594438820 342906210 /nfs/dbraw/zinc/90/62/10/342906210.db2.gz MBBLTEUTCSOOIQ-QLFBSQMISA-N 1 3 292.427 1.388 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594439596 342906749 /nfs/dbraw/zinc/90/67/49/342906749.db2.gz XPCRMCKMVNNCES-LSDHHAIUSA-N 1 3 292.427 1.484 10 30 CDEEHO N#CC1(C[C@@H](O)C[NH2+]CCCN2CCCC2)CC1 ZINC000600716090 342244211 /nfs/dbraw/zinc/24/42/11/342244211.db2.gz WGVLBAIIHXKAMM-CYBMUJFWSA-N 1 3 251.374 1.117 10 30 CDEEHO N#CC1(C[C@@H](O)CNCCC[NH+]2CCCC2)CC1 ZINC000600716090 342244212 /nfs/dbraw/zinc/24/42/12/342244212.db2.gz WGVLBAIIHXKAMM-CYBMUJFWSA-N 1 3 251.374 1.117 10 30 CDEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)C#N ZINC000596549192 343348608 /nfs/dbraw/zinc/34/86/08/343348608.db2.gz CXPAWSWNKJCWMD-ZDUSSCGKSA-N 1 3 297.447 1.107 10 30 CDEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)C#N ZINC000596549192 343348610 /nfs/dbraw/zinc/34/86/10/343348610.db2.gz CXPAWSWNKJCWMD-ZDUSSCGKSA-N 1 3 297.447 1.107 10 30 CDEEHO CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000601976115 344305179 /nfs/dbraw/zinc/30/51/79/344305179.db2.gz ROFUUCRHXMKXGQ-OLZOCXBDSA-N 1 3 280.416 1.292 10 30 CDEEHO N#Cc1ccc(OCCN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422995018 374366397 /nfs/dbraw/zinc/36/63/97/374366397.db2.gz WUXINSIJNNRSOY-UKRRQHHQSA-N 1 3 259.353 1.654 10 30 CDEEHO COC[C@H](CCC[NH3+])N[C@@H](C)c1ccc(C#N)cc1 ZINC000234801761 140231379 /nfs/dbraw/zinc/23/13/79/140231379.db2.gz DYWUZHFVTMUVQH-WFASDCNBSA-N 1 3 261.369 1.963 10 30 CDEEHO C#CCCN1CC[C@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001665681436 1173037054 /nfs/dbraw/zinc/03/70/54/1173037054.db2.gz GCSGKSLNPDDKOJ-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCCN1CC[C@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001665681436 1173037063 /nfs/dbraw/zinc/03/70/63/1173037063.db2.gz GCSGKSLNPDDKOJ-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO CC(C)[N@H+](CCCO)Cc1cc(C#CCN)cs1 ZINC000043689092 175095446 /nfs/dbraw/zinc/09/54/46/175095446.db2.gz AMJYJHYQHLNHOO-UHFFFAOYSA-N 1 3 266.410 1.651 10 30 CDEEHO CC(C)[N@@H+](CCCO)Cc1cc(C#CCN)cs1 ZINC000043689092 175095448 /nfs/dbraw/zinc/09/54/48/175095448.db2.gz AMJYJHYQHLNHOO-UHFFFAOYSA-N 1 3 266.410 1.651 10 30 CDEEHO C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001669751294 1173593199 /nfs/dbraw/zinc/59/31/99/1173593199.db2.gz ZUTXLJDPWPIUSO-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262674213 330026190 /nfs/dbraw/zinc/02/61/90/330026190.db2.gz QKYXNXDAEZWEEB-IMJJTQAJSA-N 1 3 291.439 1.674 10 30 CDEEHO C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001698951690 1175993569 /nfs/dbraw/zinc/99/35/69/1175993569.db2.gz GHMHIFZUYJEJFW-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[NH2+][C@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001715072307 1179540185 /nfs/dbraw/zinc/54/01/85/1179540185.db2.gz URZYIRBOXSFHBI-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001715829013 1179854478 /nfs/dbraw/zinc/85/44/78/1179854478.db2.gz REQALKMPCZGZFS-AWEZNQCLSA-N 1 3 267.417 1.435 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715829013 1179854490 /nfs/dbraw/zinc/85/44/90/1179854490.db2.gz REQALKMPCZGZFS-AWEZNQCLSA-N 1 3 267.417 1.435 10 30 CDEEHO C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001725597246 1182069055 /nfs/dbraw/zinc/06/90/55/1182069055.db2.gz RYDQYOYPKNAUPE-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(F)ccc1C#CCN ZINC000049561927 524471918 /nfs/dbraw/zinc/47/19/18/524471918.db2.gz PONNDTYPBAHBTH-LBPRGKRZSA-N 1 3 291.370 1.206 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CC2CCC2)CC1 ZINC001691000862 1158524376 /nfs/dbraw/zinc/52/43/76/1158524376.db2.gz VJXVDFRBJUNHAU-UHFFFAOYSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CC2CCC2)CC1 ZINC001691000862 1158524377 /nfs/dbraw/zinc/52/43/77/1158524377.db2.gz VJXVDFRBJUNHAU-UHFFFAOYSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001691989262 1158654006 /nfs/dbraw/zinc/65/40/06/1158654006.db2.gz CRPGJPFXTSXTNB-CQSZACIVSA-N 1 3 267.417 1.295 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001691989262 1158654010 /nfs/dbraw/zinc/65/40/10/1158654010.db2.gz CRPGJPFXTSXTNB-CQSZACIVSA-N 1 3 267.417 1.295 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001482102233 1159981072 /nfs/dbraw/zinc/98/10/72/1159981072.db2.gz RJYPKORGJUWEEZ-GJZGRUSLSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCN1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484167691 1161257087 /nfs/dbraw/zinc/25/70/87/1161257087.db2.gz GOFJPMKZVGWINJ-NVXWUHKLSA-N 1 3 293.455 1.424 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000876522998 1165861946 /nfs/dbraw/zinc/86/19/46/1165861946.db2.gz HYZRQJQRKZDWLL-KOLCDFICSA-N 1 3 259.781 1.042 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000876947769 1165946403 /nfs/dbraw/zinc/94/64/03/1165946403.db2.gz BDMFRHNINQNYTF-USWWRNFRSA-N 1 3 273.808 1.432 10 30 CDEEHO C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001567752109 1168953490 /nfs/dbraw/zinc/95/34/90/1168953490.db2.gz FSEZTFYMSOWDFU-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001567752109 1168953505 /nfs/dbraw/zinc/95/35/05/1168953505.db2.gz FSEZTFYMSOWDFU-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)C[NH2+]C[C@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001568021539 1169120612 /nfs/dbraw/zinc/12/06/12/1169120612.db2.gz FWWWRQVEBBWLJH-KRWDZBQOSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001569690056 1169967300 /nfs/dbraw/zinc/96/73/00/1169967300.db2.gz JFQUYEIMJZYHIK-HOCLYGCPSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001570561500 1170189525 /nfs/dbraw/zinc/18/95/25/1170189525.db2.gz VWLKGJWPPKXLLP-GPANFISMSA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001650413568 1171041568 /nfs/dbraw/zinc/04/15/68/1171041568.db2.gz XKJLPNNGGJPYSK-GMXVVIOVSA-N 1 3 271.792 1.186 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001661788098 1172448524 /nfs/dbraw/zinc/44/85/24/1172448524.db2.gz JKETYUWILWKANY-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001666920832 1173207531 /nfs/dbraw/zinc/20/75/31/1173207531.db2.gz KSBQQSDVUUNFNY-LBPRGKRZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001690755492 1175565306 /nfs/dbraw/zinc/56/53/06/1175565306.db2.gz HKPPJHPXGNYTLO-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN(C)CCC)CCCC1 ZINC001698806178 1175940408 /nfs/dbraw/zinc/94/04/08/1175940408.db2.gz LMXTXDNGMYFMDN-UHFFFAOYSA-N 1 3 267.417 1.533 10 30 CDEEHO C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001700779998 1177129370 /nfs/dbraw/zinc/12/93/70/1177129370.db2.gz HORBMSMNJYNRIE-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001700817925 1177147996 /nfs/dbraw/zinc/14/79/96/1177147996.db2.gz PHLYOQFEQAVIBN-DZGCQCFKSA-N 1 3 277.412 1.073 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001713159077 1178403716 /nfs/dbraw/zinc/40/37/16/1178403716.db2.gz OEECZYNWKVDHTB-RBSFLKMASA-N 1 3 277.412 1.119 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001713756463 1178740586 /nfs/dbraw/zinc/74/05/86/1178740586.db2.gz WYZQILQVLGCMGM-JKSUJKDBSA-N 1 3 295.471 1.929 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001713756463 1178740589 /nfs/dbraw/zinc/74/05/89/1178740589.db2.gz WYZQILQVLGCMGM-JKSUJKDBSA-N 1 3 295.471 1.929 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001714157575 1178994889 /nfs/dbraw/zinc/99/48/89/1178994889.db2.gz SZZAPJGXUMSVMG-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001714157575 1178994894 /nfs/dbraw/zinc/99/48/94/1178994894.db2.gz SZZAPJGXUMSVMG-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001714348671 1179099338 /nfs/dbraw/zinc/09/93/38/1179099338.db2.gz HIFJDFCTHVDHDX-LSDHHAIUSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001716062071 1180027724 /nfs/dbraw/zinc/02/77/24/1180027724.db2.gz SAMOAUZZZQKDMU-ZIAGYGMSSA-N 1 3 279.428 1.531 10 30 CDEEHO C=C(C)C[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001716796867 1180418714 /nfs/dbraw/zinc/41/87/14/1180418714.db2.gz KEUVKODAEHOJFW-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)CN(C)CCC)C1CCCC1 ZINC001716822641 1180425860 /nfs/dbraw/zinc/42/58/60/1180425860.db2.gz ANHPKMTTWGKBOA-MRXNPFEDSA-N 1 3 293.455 1.616 10 30 CDEEHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001716874339 1180449481 /nfs/dbraw/zinc/44/94/81/1180449481.db2.gz BDBNBLKZSZJKAB-HNNXBMFYSA-N 1 3 276.384 1.357 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CCO1 ZINC001717184016 1180564678 /nfs/dbraw/zinc/56/46/78/1180564678.db2.gz ULPSOARQVIBHGD-OAHLLOKOSA-N 1 3 297.443 1.111 10 30 CDEEHO C=CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001717301454 1180610382 /nfs/dbraw/zinc/61/03/82/1180610382.db2.gz QETYVBNZPJDYSE-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001723572289 1181588276 /nfs/dbraw/zinc/58/82/76/1181588276.db2.gz WNEJVFQWZWQHSV-OAHLLOKOSA-N 1 3 291.439 1.513 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001725042876 1181833909 /nfs/dbraw/zinc/83/39/09/1181833909.db2.gz QPTAIXHRGSPZOL-CVEARBPZSA-N 1 3 293.455 1.968 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001725042876 1181833916 /nfs/dbraw/zinc/83/39/16/1181833916.db2.gz QPTAIXHRGSPZOL-CVEARBPZSA-N 1 3 293.455 1.968 10 30 CDEEHO C#CCC[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001725427448 1181995368 /nfs/dbraw/zinc/99/53/68/1181995368.db2.gz GFKDQHLYXKOAGL-UHFFFAOYSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001725427448 1181995364 /nfs/dbraw/zinc/99/53/64/1181995364.db2.gz GFKDQHLYXKOAGL-UHFFFAOYSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCCN(C)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001725729316 1182114314 /nfs/dbraw/zinc/11/43/14/1182114314.db2.gz VOBGDOOIKHDSMR-HZPDHXFCSA-N 1 3 293.455 1.519 10 30 CDEEHO C#CCCN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001725729316 1182114316 /nfs/dbraw/zinc/11/43/16/1182114316.db2.gz VOBGDOOIKHDSMR-HZPDHXFCSA-N 1 3 293.455 1.519 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001731634896 1182494205 /nfs/dbraw/zinc/49/42/05/1182494205.db2.gz SAHUKIITNSGNDV-NWDGAFQWSA-N 1 3 278.400 1.710 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001731686111 1182518429 /nfs/dbraw/zinc/51/84/29/1182518429.db2.gz PPEGKDRZNHHXJN-CVEARBPZSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCN1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001732164656 1182826678 /nfs/dbraw/zinc/82/66/78/1182826678.db2.gz GFACBFBJSCMLOX-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCN1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001732164656 1182826688 /nfs/dbraw/zinc/82/66/88/1182826688.db2.gz GFACBFBJSCMLOX-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001733236267 1183359483 /nfs/dbraw/zinc/35/94/83/1183359483.db2.gz HLMIIYHNASBSRU-OAHLLOKOSA-N 1 3 279.428 1.629 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001733533314 1183458805 /nfs/dbraw/zinc/45/88/05/1183458805.db2.gz KBQYKUHVHJDQKI-CVEARBPZSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC001734498973 1183800833 /nfs/dbraw/zinc/80/08/33/1183800833.db2.gz AGHHBVKGJTXLOL-CABCVRRESA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)CONC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000854216714 828425774 /nfs/dbraw/zinc/42/57/74/828425774.db2.gz DCNRIODVJVAXJA-ZDUSSCGKSA-N 1 3 286.420 1.065 10 30 CDEEHO C=C(C)CONC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000854216714 828425805 /nfs/dbraw/zinc/42/58/05/828425805.db2.gz DCNRIODVJVAXJA-ZDUSSCGKSA-N 1 3 286.420 1.065 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876956440 828476679 /nfs/dbraw/zinc/47/66/79/828476679.db2.gz KDXXUPZWBADKIJ-NWDGAFQWSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876956440 828476692 /nfs/dbraw/zinc/47/66/92/828476692.db2.gz KDXXUPZWBADKIJ-NWDGAFQWSA-N 1 3 287.835 1.693 10 30 CDEEHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]([NH3+])CCCCC#N ZINC000720886443 824099950 /nfs/dbraw/zinc/09/99/50/824099950.db2.gz GTFUDZOXCSDHJW-MGPQQGTHSA-N 1 3 278.400 1.093 10 30 CDEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C#N)o1 ZINC000855346934 824309999 /nfs/dbraw/zinc/30/99/99/824309999.db2.gz PBABMDHWFKRXFB-LBPRGKRZSA-N 1 3 292.383 1.153 10 30 CDEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C#N)o1 ZINC000855346934 824310005 /nfs/dbraw/zinc/31/00/05/824310005.db2.gz PBABMDHWFKRXFB-LBPRGKRZSA-N 1 3 292.383 1.153 10 30 CDEEHO CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262017996 824842548 /nfs/dbraw/zinc/84/25/48/824842548.db2.gz YFWNXEHMRKTHFK-ZIAGYGMSSA-N 1 3 296.459 1.185 10 30 CDEEHO C#CCCCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346769 825193836 /nfs/dbraw/zinc/19/38/36/825193836.db2.gz LWUDZWLWNWDQOD-AWEZNQCLSA-N 1 3 267.417 1.178 10 30 CDEEHO C#CCCCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346769 825193850 /nfs/dbraw/zinc/19/38/50/825193850.db2.gz LWUDZWLWNWDQOD-AWEZNQCLSA-N 1 3 267.417 1.178 10 30 CDEEHO C#CC[C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000829775232 825681409 /nfs/dbraw/zinc/68/14/09/825681409.db2.gz ZQBAOSFMBROWCY-GJZGRUSLSA-N 1 3 250.386 1.178 10 30 CDEEHO C[C@@H]1CCC[C@@](CNC(=[NH2+])NC[C@@H]2CCCO2)(N(C)C)C1 ZINC000066245700 825686464 /nfs/dbraw/zinc/68/64/64/825686464.db2.gz PIHBGJCDFLIXPR-IJEWVQPXSA-N 1 3 296.459 1.580 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000876749657 825807258 /nfs/dbraw/zinc/80/72/58/825807258.db2.gz CBCLAQPYBYXHCX-FRRDWIJNSA-N 1 3 287.835 1.835 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000876749657 825807260 /nfs/dbraw/zinc/80/72/60/825807260.db2.gz CBCLAQPYBYXHCX-FRRDWIJNSA-N 1 3 287.835 1.835 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876753972 826037564 /nfs/dbraw/zinc/03/75/64/826037564.db2.gz AFBKAGQNGBDRKO-STQMWFEESA-N 1 3 265.401 1.126 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@H]2Cc3ccccc3CN2)CCC[NH2+]1 ZINC000877339465 826042205 /nfs/dbraw/zinc/04/22/05/826042205.db2.gz ANPKQNBTVFGRCP-SJLPKXTDSA-N 1 3 299.418 1.515 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000876773747 827523814 /nfs/dbraw/zinc/52/38/14/827523814.db2.gz XAIVGXUSVJIOOK-QWHCGFSZSA-N 1 3 287.835 1.647 10 30 CDEEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCCNc1ccc(C#N)cn1 ZINC000927167018 827814432 /nfs/dbraw/zinc/81/44/32/827814432.db2.gz FHPSTEKTSGHXMO-MZBDJJRSSA-N 1 3 285.395 1.295 10 30 CDEEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCCNc1ccc(C#N)cn1 ZINC000927167018 827814436 /nfs/dbraw/zinc/81/44/36/827814436.db2.gz FHPSTEKTSGHXMO-MZBDJJRSSA-N 1 3 285.395 1.295 10 30 CDEEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNc1ccc(C#N)cn1 ZINC000927167018 827814444 /nfs/dbraw/zinc/81/44/44/827814444.db2.gz FHPSTEKTSGHXMO-MZBDJJRSSA-N 1 3 285.395 1.295 10 30 CDEEHO C=C[C@@H](C)ONC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000854220500 827925514 /nfs/dbraw/zinc/92/55/14/827925514.db2.gz UWYRCNBVSKJCJW-QWHCGFSZSA-N 1 3 286.420 1.064 10 30 CDEEHO C=C[C@@H](C)ONC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000854220500 827925546 /nfs/dbraw/zinc/92/55/46/827925546.db2.gz UWYRCNBVSKJCJW-QWHCGFSZSA-N 1 3 286.420 1.064 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001565851588 1168185266 /nfs/dbraw/zinc/18/52/66/1168185266.db2.gz HFOPNDPGFJOWAI-ZNMIVQPWSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001567411882 1168743526 /nfs/dbraw/zinc/74/35/26/1168743526.db2.gz QUBMESNZJACMQX-LSDHHAIUSA-N 1 3 279.428 1.034 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001567411882 1168743531 /nfs/dbraw/zinc/74/35/31/1168743531.db2.gz QUBMESNZJACMQX-LSDHHAIUSA-N 1 3 279.428 1.034 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266635016 895647086 /nfs/dbraw/zinc/64/70/86/895647086.db2.gz PFRXZCJYIKBYLI-KKUMJFAQSA-N 1 3 281.444 1.776 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267596334 898652377 /nfs/dbraw/zinc/65/23/77/898652377.db2.gz YHYOIBVACMNYNS-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267596334 898652382 /nfs/dbraw/zinc/65/23/82/898652382.db2.gz YHYOIBVACMNYNS-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001268292063 901763768 /nfs/dbraw/zinc/76/37/68/901763768.db2.gz PEGRVIGRIVZDIK-ZIAGYGMSSA-N 1 3 288.395 1.158 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)N(C)C ZINC001482353235 905175040 /nfs/dbraw/zinc/17/50/40/905175040.db2.gz FZTJDWISUVBPJX-CHWSQXEVSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CC[NH2+]C[C@H](C)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001271216881 906185972 /nfs/dbraw/zinc/18/59/72/906185972.db2.gz QTQPJDZDQKZVKK-AWEZNQCLSA-N 1 3 289.423 1.984 10 30 CDEEHO C#CCC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001505833991 908308558 /nfs/dbraw/zinc/30/85/58/908308558.db2.gz YDMVJMDCZAOTEH-OAHLLOKOSA-N 1 3 293.455 1.426 10 30 CDEEHO C=CCC[NH2+][C@H](CC)CNC(=O)CN1CC[C@H](C)C1 ZINC001567977500 1169103812 /nfs/dbraw/zinc/10/38/12/1169103812.db2.gz YIXYNAAPXSDGOE-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001568153000 1169150324 /nfs/dbraw/zinc/15/03/24/1169150324.db2.gz DGFDJKOWLOQOIM-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)C[C@@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001183509945 918513990 /nfs/dbraw/zinc/51/39/90/918513990.db2.gz BAVXSNFOCPTGRB-CGZBRXJRSA-N 1 3 296.455 1.937 10 30 CDEEHO C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001486441674 921023019 /nfs/dbraw/zinc/02/30/19/921023019.db2.gz VJDMINXLDXTIGV-HIFRSBDPSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001491472350 936921660 /nfs/dbraw/zinc/92/16/60/936921660.db2.gz BRJQUINTLOCDCK-ZIAGYGMSSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001488664712 926643216 /nfs/dbraw/zinc/64/32/16/926643216.db2.gz VGIZJGQATYNRSB-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001488664712 926643220 /nfs/dbraw/zinc/64/32/20/926643220.db2.gz VGIZJGQATYNRSB-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001274411996 931498043 /nfs/dbraw/zinc/49/80/43/931498043.db2.gz BYQWGOIXDFOORF-XITLMJRVSA-N 1 3 291.439 1.536 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001568674297 1169424999 /nfs/dbraw/zinc/42/49/99/1169424999.db2.gz KADHANZWDMKAIZ-CHWSQXEVSA-N 1 3 289.851 1.810 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001282461133 942716630 /nfs/dbraw/zinc/71/66/30/942716630.db2.gz KFIALMNJLAFDQM-STQMWFEESA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001282461133 942716633 /nfs/dbraw/zinc/71/66/33/942716633.db2.gz KFIALMNJLAFDQM-STQMWFEESA-N 1 3 255.406 1.339 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001265095256 944227423 /nfs/dbraw/zinc/22/74/23/944227423.db2.gz SCDBHFRSMHZGHF-HUUCEWRRSA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]C[C@H](F)CC)CC1 ZINC001265869899 944550299 /nfs/dbraw/zinc/55/02/99/944550299.db2.gz FBCGBAUCADEWTH-DZGCQCFKSA-N 1 3 297.418 1.174 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001266234235 944774290 /nfs/dbraw/zinc/77/42/90/944774290.db2.gz ABICVKMCBNDGRT-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001266234235 944774297 /nfs/dbraw/zinc/77/42/97/944774297.db2.gz ABICVKMCBNDGRT-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001278324092 946152360 /nfs/dbraw/zinc/15/23/60/946152360.db2.gz CICQKHNLSJXSCC-CHWSQXEVSA-N 1 3 253.390 1.092 10 30 CDEEHO C#CCC[N@@H+](C)CCN(C(=O)CN1CCCC1)C(C)C ZINC001278929753 948272191 /nfs/dbraw/zinc/27/21/91/948272191.db2.gz KULTVODVYMUJGC-UHFFFAOYSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCC[N@H+](C)CCN(C(=O)CN1CCCC1)C(C)C ZINC001278929753 948272201 /nfs/dbraw/zinc/27/22/01/948272201.db2.gz KULTVODVYMUJGC-UHFFFAOYSA-N 1 3 279.428 1.274 10 30 CDEEHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001480220021 971634754 /nfs/dbraw/zinc/63/47/54/971634754.db2.gz HGRMJGBHAZNJOB-CALCHBBNSA-N 1 3 299.418 1.227 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CCCC1 ZINC001324481263 953409341 /nfs/dbraw/zinc/40/93/41/953409341.db2.gz FAZYOZMCKGCXGR-CVEARBPZSA-N 1 3 293.455 1.470 10 30 CDEEHO C=C(C)C[N@@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001493376387 972036071 /nfs/dbraw/zinc/03/60/71/972036071.db2.gz BCPCBWCOGJEQIP-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[N@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001493376387 972036075 /nfs/dbraw/zinc/03/60/75/972036075.db2.gz BCPCBWCOGJEQIP-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC)CC1 ZINC001329202101 955753063 /nfs/dbraw/zinc/75/30/63/955753063.db2.gz HYSCLEGSHBTXGR-UONOGXRCSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCC[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001331470922 957087823 /nfs/dbraw/zinc/08/78/23/957087823.db2.gz VEOWTRBGHVEUQU-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001331898296 957322122 /nfs/dbraw/zinc/32/21/22/957322122.db2.gz VPHZJNAWUDAWDQ-UKRRQHHQSA-N 1 3 277.412 1.073 10 30 CDEEHO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001317366469 957438461 /nfs/dbraw/zinc/43/84/61/957438461.db2.gz QMZFRUQWDONRRY-UONOGXRCSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001319788129 958727674 /nfs/dbraw/zinc/72/76/74/958727674.db2.gz LSWJKTSMEIWOFT-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001321083388 959581787 /nfs/dbraw/zinc/58/17/87/959581787.db2.gz IWLKYDIIWPINFV-IDTUSYRASA-N 1 3 277.412 1.146 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001321083388 959581801 /nfs/dbraw/zinc/58/18/01/959581801.db2.gz IWLKYDIIWPINFV-IDTUSYRASA-N 1 3 277.412 1.146 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001321514635 959830733 /nfs/dbraw/zinc/83/07/33/959830733.db2.gz YOHJTAQMSGJVOL-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001322512520 960245113 /nfs/dbraw/zinc/24/51/13/960245113.db2.gz WPEMVXIWOOPMPW-CHWSQXEVSA-N 1 3 287.835 1.517 10 30 CDEEHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001322512520 960245121 /nfs/dbraw/zinc/24/51/21/960245121.db2.gz WPEMVXIWOOPMPW-CHWSQXEVSA-N 1 3 287.835 1.517 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001355391299 969142783 /nfs/dbraw/zinc/14/27/83/969142783.db2.gz WSRXDHDJRZRWAG-NFAWXSAZSA-N 1 3 265.401 1.080 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001355391299 969142786 /nfs/dbraw/zinc/14/27/86/969142786.db2.gz WSRXDHDJRZRWAG-NFAWXSAZSA-N 1 3 265.401 1.080 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001515597359 969904640 /nfs/dbraw/zinc/90/46/40/969904640.db2.gz DFTORSIQBNBQHZ-XDQVBPFNSA-N 1 3 265.401 1.126 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001515597359 969904644 /nfs/dbraw/zinc/90/46/44/969904644.db2.gz DFTORSIQBNBQHZ-XDQVBPFNSA-N 1 3 265.401 1.126 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001467728545 970095538 /nfs/dbraw/zinc/09/55/38/970095538.db2.gz KVKAGJYJDPBVFP-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001467728545 970095546 /nfs/dbraw/zinc/09/55/46/970095546.db2.gz KVKAGJYJDPBVFP-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001497827721 973538925 /nfs/dbraw/zinc/53/89/25/973538925.db2.gz OTYXDVIIVOOFDF-GFCCVEGCSA-N 1 3 253.390 1.141 10 30 CDEEHO CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001498659544 974013101 /nfs/dbraw/zinc/01/31/01/974013101.db2.gz ZVZOBVRMANHJAI-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001500396337 974430750 /nfs/dbraw/zinc/43/07/50/974430750.db2.gz 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ZINC001674233528 1173926457 /nfs/dbraw/zinc/92/64/57/1173926457.db2.gz RJQUBSMNTJTTBG-BBRMVZONSA-N 1 3 297.418 1.317 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000594440772 342907348 /nfs/dbraw/zinc/90/73/48/342907348.db2.gz BTFPBPMCBALEAV-OAHLLOKOSA-N 1 3 286.379 1.317 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000594443627 342908203 /nfs/dbraw/zinc/90/82/03/342908203.db2.gz GDUXMGOHELVYGD-LSDHHAIUSA-N 1 3 292.427 1.246 10 30 CDEEHO C[C@@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCCC#N ZINC000594444842 342908464 /nfs/dbraw/zinc/90/84/64/342908464.db2.gz ZCRCTVMMZUHIPX-RYUDHWBXSA-N 1 3 254.378 1.031 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000594452246 342910342 /nfs/dbraw/zinc/91/03/42/342910342.db2.gz GDZGIRXXRXKESG-OWYJLGKBSA-N 1 3 278.400 1.128 10 30 CDEEHO CC[C@@](C)(C#N)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000597942708 343674362 /nfs/dbraw/zinc/67/43/62/343674362.db2.gz LROVEEYLCRSNSK-ZFWWWQNUSA-N 1 3 282.432 1.314 10 30 CDEEHO CC[C@@](C)(C#N)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000597942708 343674363 /nfs/dbraw/zinc/67/43/63/343674363.db2.gz LROVEEYLCRSNSK-ZFWWWQNUSA-N 1 3 282.432 1.314 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001660330706 1172198054 /nfs/dbraw/zinc/19/80/54/1172198054.db2.gz WHOHLMUZMMYQIU-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001660330706 1172198060 /nfs/dbraw/zinc/19/80/60/1172198060.db2.gz WHOHLMUZMMYQIU-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCN(C2CC2)C1 ZINC000594436316 358624589 /nfs/dbraw/zinc/62/45/89/358624589.db2.gz DBAWWIWMPYCKQS-UONOGXRCSA-N 1 3 278.400 1.093 10 30 CDEEHO C[C@H]1CCN(CC(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000566923464 370837256 /nfs/dbraw/zinc/83/72/56/370837256.db2.gz KRTOXBNBWKIFRA-AWEZNQCLSA-N 1 3 280.416 1.022 10 30 CDEEHO COC[C@@H](CCC[NH3+])N[C@H](C)c1ccc(C#N)cc1 ZINC000234749989 140230932 /nfs/dbraw/zinc/23/09/32/140230932.db2.gz 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CDEEHO C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001714050086 1178945727 /nfs/dbraw/zinc/94/57/27/1178945727.db2.gz MYTYSUAKVUUUFI-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714050086 1178945732 /nfs/dbraw/zinc/94/57/32/1178945732.db2.gz MYTYSUAKVUUUFI-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001714148892 1178990588 /nfs/dbraw/zinc/99/05/88/1178990588.db2.gz BHOQUEQJDKMANS-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001714148892 1178990594 /nfs/dbraw/zinc/99/05/94/1178990594.db2.gz BHOQUEQJDKMANS-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001714899277 1179443798 /nfs/dbraw/zinc/44/37/98/1179443798.db2.gz NRIORMIUNPQJRB-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001714899277 1179443803 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C=CCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001725004069 1181822642 /nfs/dbraw/zinc/82/26/42/1181822642.db2.gz VFKHPHQHEFGKHV-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001725004069 1181822646 /nfs/dbraw/zinc/82/26/46/1181822646.db2.gz VFKHPHQHEFGKHV-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001731532209 1182437378 /nfs/dbraw/zinc/43/73/78/1182437378.db2.gz VMSZREXEAYXBHR-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[N@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001731861114 1182633988 /nfs/dbraw/zinc/63/39/88/1182633988.db2.gz GTJSNXWHAWTTQV-CQSZACIVSA-N 1 3 290.411 1.665 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001731861114 1182633992 /nfs/dbraw/zinc/63/39/92/1182633992.db2.gz GTJSNXWHAWTTQV-CQSZACIVSA-N 1 3 290.411 1.665 10 30 CDEEHO C=CCN1CC[C@H](N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001732164655 1182825866 /nfs/dbraw/zinc/82/58/66/1182825866.db2.gz GFACBFBJSCMLOX-CABCVRRESA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCN1CC[C@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001732164655 1182825875 /nfs/dbraw/zinc/82/58/75/1182825875.db2.gz GFACBFBJSCMLOX-CABCVRRESA-N 1 3 279.428 1.580 10 30 CDEEHO C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001732542394 1183000866 /nfs/dbraw/zinc/00/08/66/1183000866.db2.gz YUWKYVGQKLKEFX-HOCLYGCPSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCC ZINC001733082574 1183280559 /nfs/dbraw/zinc/28/05/59/1183280559.db2.gz FEYFQJJTFJGRRT-HOTGVXAUSA-N 1 3 293.455 1.616 10 30 CDEEHO C=C(C)CCN1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001733224827 1183351707 /nfs/dbraw/zinc/35/17/07/1183351707.db2.gz DBOZPTALIQYYFS-MRXNPFEDSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001733452071 1183436428 /nfs/dbraw/zinc/43/64/28/1183436428.db2.gz MKKSJOCZULFQJZ-OAHLLOKOSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001733452071 1183436431 /nfs/dbraw/zinc/43/64/31/1183436431.db2.gz MKKSJOCZULFQJZ-OAHLLOKOSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001733676713 1183495778 /nfs/dbraw/zinc/49/57/78/1183495778.db2.gz JNWUXBUQTYJWLQ-AWEZNQCLSA-N 1 3 299.846 1.663 10 30 CDEEHO C=CCN1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001734147149 1183675840 /nfs/dbraw/zinc/67/58/40/1183675840.db2.gz ZOLSOTHAKXGDCI-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001734147149 1183675841 /nfs/dbraw/zinc/67/58/41/1183675841.db2.gz ZOLSOTHAKXGDCI-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000876854401 828837497 /nfs/dbraw/zinc/83/74/97/828837497.db2.gz SHQLAOFWCVHPJU-OLZOCXBDSA-N 1 3 285.819 1.304 10 30 CDEEHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000870994194 830031738 /nfs/dbraw/zinc/03/17/38/830031738.db2.gz OTYCFVHPKBPRCU-IUODEOHRSA-N 1 3 280.416 1.231 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000876507879 830290891 /nfs/dbraw/zinc/29/08/91/830290891.db2.gz POGLYRWVUAEKPW-ZDUSSCGKSA-N 1 3 296.802 1.147 10 30 CDEEHO C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000708855981 832873029 /nfs/dbraw/zinc/87/30/29/832873029.db2.gz WQMUBSCEMZBVSP-KCPJHIHWSA-N 1 3 259.353 1.118 10 30 CDEEHO C[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261948026 833833970 /nfs/dbraw/zinc/83/39/70/833833970.db2.gz GLAWJWRMIZWSHW-HZSPNIEDSA-N 1 3 280.460 1.926 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000876979557 834159336 /nfs/dbraw/zinc/15/93/36/834159336.db2.gz JYDZVTFDEZHTSR-ZIAGYGMSSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876979557 834159387 /nfs/dbraw/zinc/15/93/87/834159387.db2.gz JYDZVTFDEZHTSR-ZIAGYGMSSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000876723739 835336374 /nfs/dbraw/zinc/33/63/74/835336374.db2.gz GMWOXRILESSVBE-RYUDHWBXSA-N 1 3 273.808 1.447 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001272342544 912892192 /nfs/dbraw/zinc/89/21/92/912892192.db2.gz HSDWFDGLVFPMQA-LSDHHAIUSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001266878307 896267388 /nfs/dbraw/zinc/26/73/88/896267388.db2.gz QXNKNFKUARRBAX-CQSZACIVSA-N 1 3 276.384 1.499 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267174397 897007371 /nfs/dbraw/zinc/00/73/71/897007371.db2.gz XTQDJNAZVVAXPB-UKRRQHHQSA-N 1 3 279.428 1.483 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268555800 902556643 /nfs/dbraw/zinc/55/66/43/902556643.db2.gz LOQDRKFCYWCSPB-DKLOGILVSA-N 1 3 289.423 1.289 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001268555800 902556649 /nfs/dbraw/zinc/55/66/49/902556649.db2.gz LOQDRKFCYWCSPB-DKLOGILVSA-N 1 3 289.423 1.289 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001268674124 902936828 /nfs/dbraw/zinc/93/68/28/902936828.db2.gz PTDPHTNNMZVNII-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001269465430 903832663 /nfs/dbraw/zinc/83/26/63/903832663.db2.gz YCMHGTOWIGIJMA-UHFFFAOYSA-N 1 3 277.412 1.123 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001271560065 906518519 /nfs/dbraw/zinc/51/85/19/906518519.db2.gz GTYMNDFVYZQKDP-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001271852702 906901679 /nfs/dbraw/zinc/90/16/79/906901679.db2.gz BUGWSQJGTCRMCU-AWEZNQCLSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001482535902 906913440 /nfs/dbraw/zinc/91/34/40/906913440.db2.gz HOEHADFNNAPREK-KBPBESRZSA-N 1 3 269.433 1.489 10 30 CDEEHO C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H](CC)N(C)C ZINC001273578253 921406076 /nfs/dbraw/zinc/40/60/76/921406076.db2.gz OLWWYRLPEYTYJM-AWEZNQCLSA-N 1 3 267.417 1.130 10 30 CDEEHO C#CCC[N@H+](C)CCCN(C)C(=O)[C@H](CC)N(C)C ZINC001273578253 921406084 /nfs/dbraw/zinc/40/60/84/921406084.db2.gz OLWWYRLPEYTYJM-AWEZNQCLSA-N 1 3 267.417 1.130 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001488774921 926689617 /nfs/dbraw/zinc/68/96/17/926689617.db2.gz YTOFKRQUTJGRPC-GASCZTMLSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001490216304 927022808 /nfs/dbraw/zinc/02/28/08/927022808.db2.gz MIPZXUZMKSQOJN-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001490216304 927022820 /nfs/dbraw/zinc/02/28/20/927022820.db2.gz MIPZXUZMKSQOJN-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001568633098 1169409338 /nfs/dbraw/zinc/40/93/38/1169409338.db2.gz XREDMTWSAGORAV-HNNXBMFYSA-N 1 3 293.455 1.759 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](CC)N(C)C ZINC001283552140 942931030 /nfs/dbraw/zinc/93/10/30/942931030.db2.gz BPHFDTPWZGHGBD-KGLIPLIRSA-N 1 3 267.417 1.339 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCCCC)CC1 ZINC001265870802 944549055 /nfs/dbraw/zinc/54/90/55/944549055.db2.gz WRZJJNWWMWCPSM-OAHLLOKOSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CCC ZINC001479579195 971343378 /nfs/dbraw/zinc/34/33/78/971343378.db2.gz VLXCIIFIMPMBNB-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001279039697 948633498 /nfs/dbraw/zinc/63/34/98/948633498.db2.gz YCFZHTOEKGZCAG-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001480111260 971582739 /nfs/dbraw/zinc/58/27/39/971582739.db2.gz MQXHFFZKWDSRMQ-AWEZNQCLSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001324880611 953621829 /nfs/dbraw/zinc/62/18/29/953621829.db2.gz PPIRDRXNOBUARV-UHFFFAOYSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001491894200 955496000 /nfs/dbraw/zinc/49/60/00/955496000.db2.gz NAFAMSCZQRAVLA-ZIAGYGMSSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001331476140 957091705 /nfs/dbraw/zinc/09/17/05/957091705.db2.gz TYOVGCGTONKGHA-KBPBESRZSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCCN1CC ZINC001317491626 957508925 /nfs/dbraw/zinc/50/89/25/957508925.db2.gz DHIHJNBWUIAOHV-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[N@H+](CC)CCNC(=O)[C@H]1CCCCN1CC ZINC001317491626 957508932 /nfs/dbraw/zinc/50/89/32/957508932.db2.gz DHIHJNBWUIAOHV-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317532537 957533465 /nfs/dbraw/zinc/53/34/65/957533465.db2.gz LOFQPFJIZNGQFP-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317532537 957533469 /nfs/dbraw/zinc/53/34/69/957533469.db2.gz LOFQPFJIZNGQFP-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001319244340 958452823 /nfs/dbraw/zinc/45/28/23/958452823.db2.gz IHTNKMIMTFBCIR-STQMWFEESA-N 1 3 255.406 1.245 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001569302736 1169754678 /nfs/dbraw/zinc/75/46/78/1169754678.db2.gz BBLIXBBYPGZIRO-HOTGVXAUSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001320058255 958910224 /nfs/dbraw/zinc/91/02/24/958910224.db2.gz JZMILBOQJLXSNV-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001320058255 958910237 /nfs/dbraw/zinc/91/02/37/958910237.db2.gz JZMILBOQJLXSNV-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001320445750 959178433 /nfs/dbraw/zinc/17/84/33/959178433.db2.gz JDCRQOKHYMQCOZ-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001324099008 961163049 /nfs/dbraw/zinc/16/30/49/961163049.db2.gz UUPSADUWNCOZAN-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)N1[C@H](C)CN[C@H](C)[C@@H]1C ZINC001342556288 963761031 /nfs/dbraw/zinc/76/10/31/963761031.db2.gz RRPIBPZVSATWFD-ZNSHCXBVSA-N 1 3 259.781 1.054 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001569562802 1169925539 /nfs/dbraw/zinc/92/55/39/1169925539.db2.gz ZFIYUHUTVRMGGO-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001355611723 969226137 /nfs/dbraw/zinc/22/61/37/969226137.db2.gz HQYXNBSLKYRVPD-GXTWGEPZSA-N 1 3 251.374 1.025 10 30 CDEEHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001371832329 972652575 /nfs/dbraw/zinc/65/25/75/972652575.db2.gz KCOOECRCBBAIHQ-AAEUAGOBSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001499248993 974222169 /nfs/dbraw/zinc/22/21/69/974222169.db2.gz NBZWEFQBTKCXMF-UHFFFAOYSA-N 1 3 265.401 1.285 10 30 CDEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCC)CC2)CC1 ZINC001499458213 974253048 /nfs/dbraw/zinc/25/30/48/974253048.db2.gz BLRHLVQRUIPNJH-UHFFFAOYSA-N 1 3 291.439 1.370 10 30 CDEEHO C#CCN1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001499615503 974274477 /nfs/dbraw/zinc/27/44/77/974274477.db2.gz DSJAHIMZUYMVBK-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CCN1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001499615503 974274484 /nfs/dbraw/zinc/27/44/84/974274484.db2.gz DSJAHIMZUYMVBK-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001499927200 974337766 /nfs/dbraw/zinc/33/77/66/974337766.db2.gz ZPONZGRIMHIACQ-GJZGRUSLSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001500354115 974426272 /nfs/dbraw/zinc/42/62/72/974426272.db2.gz LAINYWBZQIVPIH-KRWDZBQOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001505518625 974898869 /nfs/dbraw/zinc/89/88/69/974898869.db2.gz QBASVLMFVWVHIT-UHFFFAOYSA-N 1 3 281.444 1.635 10 30 CDEEHO CC[NH2+]CC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594426911 342897263 /nfs/dbraw/zinc/89/72/63/342897263.db2.gz RWNOVAZBGFLWMC-AWEZNQCLSA-N 1 3 280.416 1.246 10 30 CDEEHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594437185 342905569 /nfs/dbraw/zinc/90/55/69/342905569.db2.gz IZOMTOICZFVRQH-LSDHHAIUSA-N 1 3 294.443 1.634 10 30 CDEEHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594437185 342905570 /nfs/dbraw/zinc/90/55/70/342905570.db2.gz IZOMTOICZFVRQH-LSDHHAIUSA-N 1 3 294.443 1.634 10 30 CDEEHO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000594438585 342906221 /nfs/dbraw/zinc/90/62/21/342906221.db2.gz OMXZJTOAPNOELL-UONOGXRCSA-N 1 3 280.416 1.388 10 30 CDEEHO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000594438585 342906222 /nfs/dbraw/zinc/90/62/22/342906222.db2.gz OMXZJTOAPNOELL-UONOGXRCSA-N 1 3 280.416 1.388 10 30 CDEEHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)c1 ZINC000600717739 342244465 /nfs/dbraw/zinc/24/44/65/342244465.db2.gz MXOXSYAACSMTOO-INIZCTEOSA-N 1 3 287.407 1.893 10 30 CDEEHO C=CCNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000080565228 359625244 /nfs/dbraw/zinc/62/52/44/359625244.db2.gz IRYPDUZDORCYQZ-AWEZNQCLSA-N 1 3 282.432 1.230 10 30 CDEEHO C=CCNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000080565228 359625249 /nfs/dbraw/zinc/62/52/49/359625249.db2.gz IRYPDUZDORCYQZ-AWEZNQCLSA-N 1 3 282.432 1.230 10 30 CDEEHO C=C(C)CN(CC)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639764785 364921893 /nfs/dbraw/zinc/92/18/93/364921893.db2.gz XHQBWDUHCHWPQY-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001661738571 1172437224 /nfs/dbraw/zinc/43/72/24/1172437224.db2.gz ILFAJBTUEYLHLR-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001661738571 1172437229 /nfs/dbraw/zinc/43/72/29/1172437229.db2.gz ILFAJBTUEYLHLR-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCN1CCC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001661751979 1172440552 /nfs/dbraw/zinc/44/05/52/1172440552.db2.gz BUWRAACJSUVZBR-MRXNPFEDSA-N 1 3 291.439 1.324 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000417545174 377932203 /nfs/dbraw/zinc/93/22/03/377932203.db2.gz XNVXGTNXYQULSE-UKRRQHHQSA-N 1 3 294.443 1.324 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662856467 1172605601 /nfs/dbraw/zinc/60/56/01/1172605601.db2.gz ONWGHTRSKLKHTJ-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO COC[C@@H](CCC[NH3+])NCc1ccc(C#N)c(F)c1 ZINC000404831155 392758331 /nfs/dbraw/zinc/75/83/31/392758331.db2.gz IKKRPEPFBMZJTN-CYBMUJFWSA-N 1 3 265.332 1.541 10 30 CDEEHO C=CC[C@]1(C(=O)NCCN2CCC(C)CC2)CCC[NH2+]1 ZINC000662678573 413296194 /nfs/dbraw/zinc/29/61/94/413296194.db2.gz GISVFWPBHKVBBJ-MRXNPFEDSA-N 1 3 279.428 1.533 10 30 CDEEHO CN1CCCC[C@H]1CNC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000044566217 175208017 /nfs/dbraw/zinc/20/80/17/175208017.db2.gz YLGHUBHZMDRGMD-INIZCTEOSA-N 1 3 285.391 1.211 10 30 CDEEHO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001667545951 1173286426 /nfs/dbraw/zinc/28/64/26/1173286426.db2.gz PGFBWMXQBMQKHD-CABCVRRESA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001667545951 1173286431 /nfs/dbraw/zinc/28/64/31/1173286431.db2.gz PGFBWMXQBMQKHD-CABCVRRESA-N 1 3 281.444 1.826 10 30 CDEEHO C[C@@H]1CCC[C@@](CNC(=[NH2+])N2CCO[C@@H](C)C2)(N(C)C)C1 ZINC000262474001 330015899 /nfs/dbraw/zinc/01/58/99/330015899.db2.gz PMWCUDJWCRQKSJ-IJEWVQPXSA-N 1 3 296.459 1.532 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001671383205 1160155060 /nfs/dbraw/zinc/15/50/60/1160155060.db2.gz ACXFSPDKKJTUKG-HNNXBMFYSA-N 1 3 279.428 1.629 10 30 CDEEHO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(C#CCN)s1 ZINC000049232200 519793391 /nfs/dbraw/zinc/79/33/91/519793391.db2.gz FVEPYNMQGUAFFL-CYBMUJFWSA-N 1 3 293.436 1.374 10 30 CDEEHO C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001486449937 1161455832 /nfs/dbraw/zinc/45/58/32/1161455832.db2.gz VJDMINXLDXTIGV-ZFWWWQNUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001731728382 1182535517 /nfs/dbraw/zinc/53/55/17/1182535517.db2.gz XFDZHKMRIJTEKG-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO NCC#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000049609779 527148139 /nfs/dbraw/zinc/14/81/39/527148139.db2.gz VQBQOFUZFHFQII-MRXNPFEDSA-N 1 3 258.365 1.344 10 30 CDEEHO NCC#Cc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000049609779 527148142 /nfs/dbraw/zinc/14/81/42/527148142.db2.gz VQBQOFUZFHFQII-MRXNPFEDSA-N 1 3 258.365 1.344 10 30 CDEEHO C=C(C)CCN1CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001569380191 1169830644 /nfs/dbraw/zinc/83/06/44/1169830644.db2.gz PSNODRAEULBAQI-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CCN1CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001569380191 1169830649 /nfs/dbraw/zinc/83/06/49/1169830649.db2.gz PSNODRAEULBAQI-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001570090314 1170075939 /nfs/dbraw/zinc/07/59/39/1170075939.db2.gz WDYSPHQKGRGJSL-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001661793140 1172447745 /nfs/dbraw/zinc/44/77/45/1172447745.db2.gz MVNQFPAROBPGMO-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001667867197 1173332560 /nfs/dbraw/zinc/33/25/60/1173332560.db2.gz ZVCGYOGSAGHDSA-UHFFFAOYSA-N 1 3 292.427 1.126 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001690955220 1175625281 /nfs/dbraw/zinc/62/52/81/1175625281.db2.gz NUUFWTKUYMLUBA-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001690955220 1175625286 /nfs/dbraw/zinc/62/52/86/1175625286.db2.gz NUUFWTKUYMLUBA-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001698767370 1175924932 /nfs/dbraw/zinc/92/49/32/1175924932.db2.gz UNDZRJBFHLOEBZ-HZPDHXFCSA-N 1 3 293.455 1.615 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001698970610 1176001421 /nfs/dbraw/zinc/00/14/21/1176001421.db2.gz AUSRHSYNJGSRDH-GJZGRUSLSA-N 1 3 279.428 1.082 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001699931547 1176687439 /nfs/dbraw/zinc/68/74/39/1176687439.db2.gz DMGCSFSAZGJZOG-KBPBESRZSA-N 1 3 279.428 1.483 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCC1 ZINC001700130289 1176762099 /nfs/dbraw/zinc/76/20/99/1176762099.db2.gz FMMRURSJBGRPFF-HNNXBMFYSA-N 1 3 291.439 1.511 10 30 CDEEHO CC#CC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001700374812 1176880800 /nfs/dbraw/zinc/88/08/00/1176880800.db2.gz LERQWOFMLLTTTA-NRXISQOPSA-N 1 3 279.428 1.080 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC2CC2)CC1 ZINC001700430084 1176926014 /nfs/dbraw/zinc/92/60/14/1176926014.db2.gz KHQAFOWUNJVQCH-UONOGXRCSA-N 1 3 291.439 1.224 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001700732345 1177099800 /nfs/dbraw/zinc/09/98/00/1177099800.db2.gz XWPGNFFOGWOURR-AWEZNQCLSA-N 1 3 276.384 1.355 10 30 CDEEHO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001701008577 1177237756 /nfs/dbraw/zinc/23/77/56/1177237756.db2.gz SDELFELDDJKAMD-HIFRSBDPSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CC2CC2)CC1 ZINC001707420655 1178034265 /nfs/dbraw/zinc/03/42/65/1178034265.db2.gz AKXPVPFFPMBWTI-UHFFFAOYSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CC2CC2)CC1 ZINC001707420655 1178034273 /nfs/dbraw/zinc/03/42/73/1178034273.db2.gz AKXPVPFFPMBWTI-UHFFFAOYSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001707442190 1178045316 /nfs/dbraw/zinc/04/53/16/1178045316.db2.gz YECRJFJGSDGPAA-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CCC)C2CC2)CC1 ZINC001713887006 1178818193 /nfs/dbraw/zinc/81/81/93/1178818193.db2.gz YPJWTSSQOUAKPK-MRXNPFEDSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001714043000 1178944298 /nfs/dbraw/zinc/94/42/98/1178944298.db2.gz KWTVFHCVNNKNFB-GJZGRUSLSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001714043000 1178944301 /nfs/dbraw/zinc/94/43/01/1178944301.db2.gz KWTVFHCVNNKNFB-GJZGRUSLSA-N 1 3 279.428 1.342 10 30 CDEEHO C#CC[NH2+]C[C@]1(NC(=O)CN(C)CCC)CCCC[C@H]1C ZINC001714189013 1179008450 /nfs/dbraw/zinc/00/84/50/1179008450.db2.gz ZOXOYMXMLZNHDT-NVXWUHKLSA-N 1 3 293.455 1.616 10 30 CDEEHO CC#CCN[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001714311055 1179081194 /nfs/dbraw/zinc/08/11/94/1179081194.db2.gz XZPSWSOEEOJVPC-OAHLLOKOSA-N 1 3 279.428 1.370 10 30 CDEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC)CCCC2)CC1 ZINC001714514109 1179178439 /nfs/dbraw/zinc/17/84/39/1179178439.db2.gz SAPBKZWOAFVBCF-UHFFFAOYSA-N 1 3 291.439 1.370 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001715007183 1179504439 /nfs/dbraw/zinc/50/44/39/1179504439.db2.gz AXJCIEHNUMMKPT-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CC(=C)C)CC1 ZINC001715710733 1179770670 /nfs/dbraw/zinc/77/06/70/1179770670.db2.gz XQZWDVHOWXBHQT-HNNXBMFYSA-N 1 3 291.439 1.392 10 30 CDEEHO CC#CCNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001716009661 1179981796 /nfs/dbraw/zinc/98/17/96/1179981796.db2.gz RQFRVWMWJUWPJI-JKSUJKDBSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001717370079 1180633885 /nfs/dbraw/zinc/63/38/85/1180633885.db2.gz RYAMYOKQMOQJPE-LSDHHAIUSA-N 1 3 279.428 1.580 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001717370079 1180633888 /nfs/dbraw/zinc/63/38/88/1180633888.db2.gz RYAMYOKQMOQJPE-LSDHHAIUSA-N 1 3 279.428 1.580 10 30 CDEEHO C#CC[NH2+]C1CCC(N(C)C(=O)CN(C)CCC)CC1 ZINC001717450078 1180676850 /nfs/dbraw/zinc/67/68/50/1180676850.db2.gz ZMYBINLXRPQTGC-UHFFFAOYSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001717800967 1180861731 /nfs/dbraw/zinc/86/17/31/1180861731.db2.gz DGVAFQDDLYZOOE-CHWSQXEVSA-N 1 3 253.390 1.093 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001723907070 1181622613 /nfs/dbraw/zinc/62/26/13/1181622613.db2.gz ZJHBMCITGUQYOY-HNNXBMFYSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001724628249 1181707960 /nfs/dbraw/zinc/70/79/60/1181707960.db2.gz QNPCOXKZEJXIBP-IYBDPMFKSA-N 1 3 293.455 1.683 10 30 CDEEHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001724628249 1181707965 /nfs/dbraw/zinc/70/79/65/1181707965.db2.gz QNPCOXKZEJXIBP-IYBDPMFKSA-N 1 3 293.455 1.683 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001731703808 1182522924 /nfs/dbraw/zinc/52/29/24/1182522924.db2.gz QSYQQFBWHWVUFZ-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001733852830 1183550663 /nfs/dbraw/zinc/55/06/63/1183550663.db2.gz WGCLUDCJDAFUOV-CABCVRRESA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001733933089 1183573206 /nfs/dbraw/zinc/57/32/06/1183573206.db2.gz SMAOIBRJWFNEDU-OAHLLOKOSA-N 1 3 291.439 1.724 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001734299940 1183719457 /nfs/dbraw/zinc/71/94/57/1183719457.db2.gz GKEWAMSPSUJXGX-JKSUJKDBSA-N 1 3 293.455 1.872 10 30 CDEEHO C#C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000877635893 836597967 /nfs/dbraw/zinc/59/79/67/836597967.db2.gz HHPCUFWTUAYRGK-YUELXQCFSA-N 1 3 250.386 1.487 10 30 CDEEHO C#C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000877635893 836598004 /nfs/dbraw/zinc/59/80/04/836598004.db2.gz HHPCUFWTUAYRGK-YUELXQCFSA-N 1 3 250.386 1.487 10 30 CDEEHO C[NH+]=C(NC[C@@H]1CCOC1)N1CC[C@H](N2CCCCC2)C1 ZINC000261614492 838088490 /nfs/dbraw/zinc/08/84/90/838088490.db2.gz BCIZFLAMYNVSNI-GJZGRUSLSA-N 1 3 294.443 1.159 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000876913286 838225009 /nfs/dbraw/zinc/22/50/09/838225009.db2.gz PSFNZXBFOFJXSM-RWMBFGLXSA-N 1 3 285.819 1.447 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000876773746 838989679 /nfs/dbraw/zinc/98/96/79/838989679.db2.gz XAIVGXUSVJIOOK-OLZOCXBDSA-N 1 3 287.835 1.647 10 30 CDEEHO CN1C[C@@H]2C[N@H+](CCOc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933742014 841067746 /nfs/dbraw/zinc/06/77/46/841067746.db2.gz CKTPMXNVZAUNEH-WBVHZDCISA-N 1 3 285.391 1.821 10 30 CDEEHO CN1C[C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933742014 841067759 /nfs/dbraw/zinc/06/77/59/841067759.db2.gz CKTPMXNVZAUNEH-WBVHZDCISA-N 1 3 285.391 1.821 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000876539960 841220401 /nfs/dbraw/zinc/22/04/01/841220401.db2.gz CKOLMCXTUOSFAY-ILDUYXDCSA-N 1 3 259.781 1.185 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001565844011 1168182462 /nfs/dbraw/zinc/18/24/62/1168182462.db2.gz LDFTVPRJSXLAAT-BETUJISGSA-N 1 3 265.401 1.141 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001272474528 913180114 /nfs/dbraw/zinc/18/01/14/913180114.db2.gz HSFZXFFCOKOPRI-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001266915636 896334668 /nfs/dbraw/zinc/33/46/68/896334668.db2.gz BBPULOYYONYNEX-GPANFISMSA-N 1 3 293.455 1.613 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001266976565 896476638 /nfs/dbraw/zinc/47/66/38/896476638.db2.gz XQRDJXLXWVBWDA-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267308046 897551547 /nfs/dbraw/zinc/55/15/47/897551547.db2.gz YTRZWRWOYQDHLL-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267308046 897551560 /nfs/dbraw/zinc/55/15/60/897551560.db2.gz YTRZWRWOYQDHLL-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001480938926 897810262 /nfs/dbraw/zinc/81/02/62/897810262.db2.gz 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CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001568106277 1169137302 /nfs/dbraw/zinc/13/73/02/1169137302.db2.gz QJSGRUXDJTYEDD-RBSFLKMASA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCNC[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483945819 915220629 /nfs/dbraw/zinc/22/06/29/915220629.db2.gz IOJPZBNJYCUYRZ-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001486219050 920830253 /nfs/dbraw/zinc/83/02/53/920830253.db2.gz QMNIBDFMQPWZOD-ZIAGYGMSSA-N 1 3 290.411 1.711 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001273560685 921015531 /nfs/dbraw/zinc/01/55/31/921015531.db2.gz PVOAMNNGDAAIOB-OAHLLOKOSA-N 1 3 281.444 1.685 10 30 CDEEHO C=C(C)C[N@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001273560685 921015545 /nfs/dbraw/zinc/01/55/45/921015545.db2.gz PVOAMNNGDAAIOB-OAHLLOKOSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCC[C@H](O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329794 923741348 /nfs/dbraw/zinc/74/13/48/923741348.db2.gz OYCOFEUHNBORRN-QLFBSQMISA-N 1 3 252.402 1.778 10 30 CDEEHO C=CC[NH2+]C1CCC(NC(=O)CN(C)CCC)CC1 ZINC001491371823 936900108 /nfs/dbraw/zinc/90/01/08/936900108.db2.gz WXCDJLRUAJZLRJ-UHFFFAOYSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001488851544 926721005 /nfs/dbraw/zinc/72/10/05/926721005.db2.gz PQHUNQQJQGROHM-HAQNSBGRSA-N 1 3 273.808 1.175 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001490309714 927109866 /nfs/dbraw/zinc/10/98/66/927109866.db2.gz MUTZXESPYYUTDM-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001568551620 1169364159 /nfs/dbraw/zinc/36/41/59/1169364159.db2.gz MDUZBHWELOKIHX-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001568551620 1169364166 /nfs/dbraw/zinc/36/41/66/1169364166.db2.gz MDUZBHWELOKIHX-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276970056 941750470 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C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266116340 944689609 /nfs/dbraw/zinc/68/96/09/944689609.db2.gz JQCSQSLXMGXKAI-HOTGVXAUSA-N 1 3 293.455 1.519 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001480536328 971774039 /nfs/dbraw/zinc/77/40/39/971774039.db2.gz FMCCMZAIQZVAIM-ZDUSSCGKSA-N 1 3 269.433 1.635 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001480624747 971814565 /nfs/dbraw/zinc/81/45/65/971814565.db2.gz PKSGLDPOIZJXHM-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001327258854 954798151 /nfs/dbraw/zinc/79/81/51/954798151.db2.gz UZQLCOGEHRFPMY-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCC[N@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001327258854 954798163 /nfs/dbraw/zinc/79/81/63/954798163.db2.gz UZQLCOGEHRFPMY-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=C(C)C[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001328049053 955174537 /nfs/dbraw/zinc/17/45/37/955174537.db2.gz FCTOVWGBAUACLR-UHFFFAOYSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001328647547 955394088 /nfs/dbraw/zinc/39/40/88/955394088.db2.gz NENNWBYECZEQGI-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001328651461 955395385 /nfs/dbraw/zinc/39/53/85/955395385.db2.gz WJNGDKQJZICRQU-HNNXBMFYSA-N 1 3 290.411 1.889 10 30 CDEEHO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001317350218 957433596 /nfs/dbraw/zinc/43/35/96/957433596.db2.gz KDCZSPDSMLRWIB-ZIAGYGMSSA-N 1 3 277.412 1.121 10 30 CDEEHO C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001317414959 957461573 /nfs/dbraw/zinc/46/15/73/957461573.db2.gz GEXZYSSSBCGCCW-HUUCEWRRSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001317679659 957636382 /nfs/dbraw/zinc/63/63/82/957636382.db2.gz YEZKTNIMZZBLMB-GDBMZVCRSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+]C[C@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001318726476 958245260 /nfs/dbraw/zinc/24/52/60/958245260.db2.gz IMZXFUZJCMFLKS-INIZCTEOSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001320041713 958900365 /nfs/dbraw/zinc/90/03/65/958900365.db2.gz HLWAVGOPNWBQKL-UHFFFAOYSA-N 1 3 283.460 1.931 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001320041713 958900380 /nfs/dbraw/zinc/90/03/80/958900380.db2.gz HLWAVGOPNWBQKL-UHFFFAOYSA-N 1 3 283.460 1.931 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001320154353 958974122 /nfs/dbraw/zinc/97/41/22/958974122.db2.gz NPLSIAWTJIMEBR-LSDHHAIUSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CC[NH2+]CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001322693072 960298045 /nfs/dbraw/zinc/29/80/45/960298045.db2.gz BLIWXWWISVTJAY-INIZCTEOSA-N 1 3 297.418 1.270 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001322998890 960397502 /nfs/dbraw/zinc/39/75/02/960397502.db2.gz DJTVSAWBAFODGR-HNNXBMFYSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001569363222 1169805119 /nfs/dbraw/zinc/80/51/19/1169805119.db2.gz OVNLDMNTEBRDFF-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@](C)(C[NH3+])CC(C)C)CC1 ZINC001340077884 962729453 /nfs/dbraw/zinc/72/94/53/962729453.db2.gz SQMVORKDKXKTJJ-MRXNPFEDSA-N 1 3 281.444 1.764 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001340982976 963220694 /nfs/dbraw/zinc/22/06/94/963220694.db2.gz IXTNAUQHSVHHKH-GDBMZVCRSA-N 1 3 279.428 1.662 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001344652733 964390189 /nfs/dbraw/zinc/39/01/89/964390189.db2.gz QFUXYXIGBZPGHE-UPJWGTAASA-N 1 3 253.390 1.032 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001441374512 964481932 /nfs/dbraw/zinc/48/19/32/964481932.db2.gz YXNAFMGCXLQYRQ-JOCQHMNTSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001371832334 972652340 /nfs/dbraw/zinc/65/23/40/972652340.db2.gz KCOOECRCBBAIHQ-DGCLKSJQSA-N 1 3 287.835 1.565 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001496707317 973058461 /nfs/dbraw/zinc/05/84/61/973058461.db2.gz PJSDUKWCOCVFDT-UONOGXRCSA-N 1 3 267.417 1.293 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001496707317 973058473 /nfs/dbraw/zinc/05/84/73/973058473.db2.gz PJSDUKWCOCVFDT-UONOGXRCSA-N 1 3 267.417 1.293 10 30 CDEEHO C#CCNC/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497699452 973468447 /nfs/dbraw/zinc/46/84/47/973468447.db2.gz CZFIEROOAGUCNJ-AATRIKPKSA-N 1 3 285.391 1.257 10 30 CDEEHO CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001500396338 974430884 /nfs/dbraw/zinc/43/08/84/974430884.db2.gz ASNZRSYISWADBR-MRXNPFEDSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001502143423 974704660 /nfs/dbraw/zinc/70/46/60/974704660.db2.gz RGHKSHPXRQIJLR-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001502143423 974704662 /nfs/dbraw/zinc/70/46/62/974704662.db2.gz RGHKSHPXRQIJLR-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001502547782 974749714 /nfs/dbraw/zinc/74/97/14/974749714.db2.gz FAXIAFCHILXHGA-QGZVFWFLSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001502547782 974749718 /nfs/dbraw/zinc/74/97/18/974749718.db2.gz FAXIAFCHILXHGA-QGZVFWFLSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001502809809 974788148 /nfs/dbraw/zinc/78/81/48/974788148.db2.gz OJADHLHYLWBWPD-UHFFFAOYSA-N 1 3 277.412 1.076 10 30 CDEEHO C=CC[N@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001506864380 975238199 /nfs/dbraw/zinc/23/81/99/975238199.db2.gz DQHKZCNOMXIFME-UHFFFAOYSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[N@@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001506864380 975238203 /nfs/dbraw/zinc/23/82/03/975238203.db2.gz DQHKZCNOMXIFME-UHFFFAOYSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001507324893 975416262 /nfs/dbraw/zinc/41/62/62/975416262.db2.gz CYZXMYQAKOEPRE-WCQYABFASA-N 1 3 262.357 1.107 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001674672182 1173985535 /nfs/dbraw/zinc/98/55/35/1173985535.db2.gz DZZKUMBNUVWXLI-OLZOCXBDSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCN1CCC ZINC001676222656 1174193989 /nfs/dbraw/zinc/19/39/89/1174193989.db2.gz WKFOWUQALRHPKQ-JKSUJKDBSA-N 1 3 293.455 1.873 10 30 CDEEHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594438764 342906390 /nfs/dbraw/zinc/90/63/90/342906390.db2.gz WWJPEXCPXPSLGY-KGLIPLIRSA-N 1 3 280.416 1.340 10 30 CDEEHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600721074 342244729 /nfs/dbraw/zinc/24/47/29/342244729.db2.gz KUJGAIRPKWGVSJ-ZIAGYGMSSA-N 1 3 265.401 1.363 10 30 CDEEHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600721074 342244730 /nfs/dbraw/zinc/24/47/30/342244730.db2.gz KUJGAIRPKWGVSJ-ZIAGYGMSSA-N 1 3 265.401 1.363 10 30 CDEEHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600721074 342244731 /nfs/dbraw/zinc/24/47/31/342244731.db2.gz KUJGAIRPKWGVSJ-ZIAGYGMSSA-N 1 3 265.401 1.363 10 30 CDEEHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](N)CCCCC#N ZINC000594424669 342904063 /nfs/dbraw/zinc/90/40/63/342904063.db2.gz HXBPEZQRTQSDAJ-GXTWGEPZSA-N 1 3 268.405 1.277 10 30 CDEEHO C[C@@H](N)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595908232 343189085 /nfs/dbraw/zinc/18/90/85/343189085.db2.gz GITKECUCWQAOID-GFCCVEGCSA-N 1 3 259.353 1.501 10 30 CDEEHO N#Cc1ccc(OCCN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422995017 374366626 /nfs/dbraw/zinc/36/66/26/374366626.db2.gz WUXINSIJNNRSOY-HIFRSBDPSA-N 1 3 259.353 1.654 10 30 CDEEHO CNC(NC[C@@H]1CCCN1C1CCCCC1)=[NH+]C ZINC000366837639 378938115 /nfs/dbraw/zinc/93/81/15/378938115.db2.gz XVLWNRASKMTBAO-ZDUSSCGKSA-N 1 3 252.406 1.578 10 30 CDEEHO C[NH+](C)CCCCNC(=O)c1cccc(C#CCN)c1 ZINC000041684928 184552905 /nfs/dbraw/zinc/55/29/05/184552905.db2.gz XLOIREYUKGHNFY-UHFFFAOYSA-N 1 3 273.380 1.068 10 30 CDEEHO N#CCCOCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000339044927 391245016 /nfs/dbraw/zinc/24/50/16/391245016.db2.gz QNTOROFKMMGVIP-GOEBONIOSA-N 1 3 277.412 1.865 10 30 CDEEHO N#CCCOCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000339044927 391245019 /nfs/dbraw/zinc/24/50/19/391245019.db2.gz QNTOROFKMMGVIP-GOEBONIOSA-N 1 3 277.412 1.865 10 30 CDEEHO C#CCC[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001664187544 1172821467 /nfs/dbraw/zinc/82/14/67/1172821467.db2.gz YZJBHPSTLBAXDI-MRXNPFEDSA-N 1 3 297.418 1.270 10 30 CDEEHO C#CC[NH2+]CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001664392019 1172847162 /nfs/dbraw/zinc/84/71/62/1172847162.db2.gz WHHDTHJNPKPBRP-UHFFFAOYSA-N 1 3 273.380 1.043 10 30 CDEEHO C=C(C)CN(CC)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665636546 414322777 /nfs/dbraw/zinc/32/27/77/414322777.db2.gz BPDTXBOACWDHGB-HNNXBMFYSA-N 1 3 298.475 1.866 10 30 CDEEHO C=C(C)CN(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665636546 414322783 /nfs/dbraw/zinc/32/27/83/414322783.db2.gz BPDTXBOACWDHGB-HNNXBMFYSA-N 1 3 298.475 1.866 10 30 CDEEHO CN[C@@](C)(C#N)CCCC[NH+]1CCC(N(C)C)CC1 ZINC000045311138 175356602 /nfs/dbraw/zinc/35/66/02/175356602.db2.gz CXPZDYQUZPNZSK-OAHLLOKOSA-N 1 3 266.433 1.684 10 30 CDEEHO CC(C)CN1CCCC[C@@H]1CNC(=[NH2+])N1CCSCC1 ZINC000160812827 264262257 /nfs/dbraw/zinc/26/22/57/264262257.db2.gz FBSUVVHCFYVBIS-CQSZACIVSA-N 1 3 298.500 1.860 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001700190601 1176792734 /nfs/dbraw/zinc/79/27/34/1176792734.db2.gz HMLICAWXEHNFEP-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CC2CC2)CC1 ZINC001482902976 1160643660 /nfs/dbraw/zinc/64/36/60/1160643660.db2.gz VVIMDMJNYDOJBI-AWEZNQCLSA-N 1 3 291.439 1.226 10 30 CDEEHO NCC#Cc1ccc(OCC[N@@H+]2CCCSCC2)cc1 ZINC000049609936 527152533 /nfs/dbraw/zinc/15/25/33/527152533.db2.gz LNWGKAUMLBYLQA-UHFFFAOYSA-N 1 3 290.432 1.815 10 30 CDEEHO NCC#Cc1ccc(OCC[N@H+]2CCCSCC2)cc1 ZINC000049609936 527152538 /nfs/dbraw/zinc/15/25/38/527152538.db2.gz LNWGKAUMLBYLQA-UHFFFAOYSA-N 1 3 290.432 1.815 10 30 CDEEHO CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001690317325 1175434808 /nfs/dbraw/zinc/43/48/08/1175434808.db2.gz GBFXZXZXAKHHGN-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000900827066 623536243 /nfs/dbraw/zinc/53/62/43/623536243.db2.gz DYKCHISAIMBVPM-ZDUSSCGKSA-N 1 3 253.390 1.047 10 30 CDEEHO C=CCC[C@@H](O)CN1CC[NH2+]CCC12CCOCC2 ZINC000903820054 626102714 /nfs/dbraw/zinc/10/27/14/626102714.db2.gz SEEBCVHAIINJMZ-CQSZACIVSA-N 1 3 268.401 1.158 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691196588 1158954745 /nfs/dbraw/zinc/95/47/45/1158954745.db2.gz VCFJXYSPSYASMS-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001691196588 1158954749 /nfs/dbraw/zinc/95/47/49/1158954749.db2.gz VCFJXYSPSYASMS-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266766690 1158814155 /nfs/dbraw/zinc/81/41/55/1158814155.db2.gz IPZKEMAKGAZLSG-JKSUJKDBSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266766690 1158814167 /nfs/dbraw/zinc/81/41/67/1158814167.db2.gz IPZKEMAKGAZLSG-JKSUJKDBSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001700735375 1160798218 /nfs/dbraw/zinc/79/82/18/1160798218.db2.gz BHZMZRPUIXZTGA-HOTGVXAUSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000876844190 1165925789 /nfs/dbraw/zinc/92/57/89/1165925789.db2.gz WWLUPPNIUSBYSP-NSHDSACASA-N 1 3 297.761 1.880 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC001646166806 1167674910 /nfs/dbraw/zinc/67/49/10/1167674910.db2.gz BFVUATSIXFKWEO-ZDUSSCGKSA-N 1 3 299.846 1.933 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001646839447 1168183520 /nfs/dbraw/zinc/18/35/20/1168183520.db2.gz UOAHBNNBPSQXDB-RYUDHWBXSA-N 1 3 275.824 1.693 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001567127192 1168577779 /nfs/dbraw/zinc/57/77/79/1168577779.db2.gz FHTOQSLQXAHDNJ-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001647383989 1168633418 /nfs/dbraw/zinc/63/34/18/1168633418.db2.gz LDKMMQLIHHBFBK-GXTWGEPZSA-N 1 3 285.819 1.449 10 30 CDEEHO C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001568027921 1169123097 /nfs/dbraw/zinc/12/30/97/1169123097.db2.gz LINMFYZDMNMGRG-GOEBONIOSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001673129250 1173827358 /nfs/dbraw/zinc/82/73/58/1173827358.db2.gz UFOPJMMUZNRYBH-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001690862464 1175594088 /nfs/dbraw/zinc/59/40/88/1175594088.db2.gz FMIRKEUGPZTGSA-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001699018053 1176042439 /nfs/dbraw/zinc/04/24/39/1176042439.db2.gz VVYIHPLGHCDKEP-GJZGRUSLSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001700190601 1176792729 /nfs/dbraw/zinc/79/27/29/1176792729.db2.gz HMLICAWXEHNFEP-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001700317824 1176847006 /nfs/dbraw/zinc/84/70/06/1176847006.db2.gz MLJIJHXFZUWIIM-HUUCEWRRSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCC)C[C@H]2C1 ZINC001700618362 1177036712 /nfs/dbraw/zinc/03/67/12/1177036712.db2.gz YEMQPSVWLVHWRR-JYJNAYRXSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCC)C[C@H]2C1 ZINC001700618362 1177036720 /nfs/dbraw/zinc/03/67/20/1177036720.db2.gz YEMQPSVWLVHWRR-JYJNAYRXSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001700751637 1177113784 /nfs/dbraw/zinc/11/37/84/1177113784.db2.gz JXAGBISMFFZQOB-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001713150137 1178396182 /nfs/dbraw/zinc/39/61/82/1178396182.db2.gz BOAXRACJQOJALG-STQMWFEESA-N 1 3 276.384 1.497 10 30 CDEEHO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001713379954 1178529772 /nfs/dbraw/zinc/52/97/72/1178529772.db2.gz YBWWQLZDAHHJLU-LSDHHAIUSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001713824404 1178775589 /nfs/dbraw/zinc/77/55/89/1178775589.db2.gz DOHNTWNRXZLLOP-GJZGRUSLSA-N 1 3 299.434 1.823 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001713824404 1178775593 /nfs/dbraw/zinc/77/55/93/1178775593.db2.gz DOHNTWNRXZLLOP-GJZGRUSLSA-N 1 3 299.434 1.823 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001713900140 1178830960 /nfs/dbraw/zinc/83/09/60/1178830960.db2.gz QOVMNIBWDRLZTC-INIZCTEOSA-N 1 3 293.455 1.522 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001713900140 1178830971 /nfs/dbraw/zinc/83/09/71/1178830971.db2.gz QOVMNIBWDRLZTC-INIZCTEOSA-N 1 3 293.455 1.522 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001714153085 1178993596 /nfs/dbraw/zinc/99/35/96/1178993596.db2.gz YKWFXKAWCSVKLQ-HUUCEWRRSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001714153085 1178993599 /nfs/dbraw/zinc/99/35/99/1178993599.db2.gz YKWFXKAWCSVKLQ-HUUCEWRRSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001716983960 1180491728 /nfs/dbraw/zinc/49/17/28/1180491728.db2.gz AGPSDTVBVLYLMH-GJZGRUSLSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001717373040 1180636072 /nfs/dbraw/zinc/63/60/72/1180636072.db2.gz GPGSNVACPZKAER-OAHLLOKOSA-N 1 3 290.411 1.841 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001717373040 1180636075 /nfs/dbraw/zinc/63/60/75/1180636075.db2.gz GPGSNVACPZKAER-OAHLLOKOSA-N 1 3 290.411 1.841 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001717871851 1180907056 /nfs/dbraw/zinc/90/70/56/1180907056.db2.gz DFRRDVSJKXRPGS-KBPBESRZSA-N 1 3 279.428 1.531 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001723514032 1181581182 /nfs/dbraw/zinc/58/11/82/1181581182.db2.gz AJPCZOCPTCAUFQ-UHFFFAOYSA-N 1 3 291.439 1.513 10 30 CDEEHO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001724250195 1181658207 /nfs/dbraw/zinc/65/82/07/1181658207.db2.gz NDBLWYKYFHTGPI-GDBMZVCRSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001724589130 1181699730 /nfs/dbraw/zinc/69/97/30/1181699730.db2.gz YHXBIRUKXLPPLK-UONOGXRCSA-N 1 3 279.428 1.341 10 30 CDEEHO C=CC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001724939968 1181801629 /nfs/dbraw/zinc/80/16/29/1181801629.db2.gz CWAUBCOCCLEVJE-KBPBESRZSA-N 1 3 281.444 1.587 10 30 CDEEHO 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845831333 /nfs/dbraw/zinc/83/13/33/845831333.db2.gz AOFVMELHFNYLQT-AAEUAGOBSA-N 1 3 293.798 1.621 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000876883592 846395429 /nfs/dbraw/zinc/39/54/29/846395429.db2.gz KMLCAGPETVAWLJ-RDBSUJKOSA-N 1 3 299.846 1.930 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000876883592 846395441 /nfs/dbraw/zinc/39/54/41/846395441.db2.gz KMLCAGPETVAWLJ-RDBSUJKOSA-N 1 3 299.846 1.930 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000876876864 847679415 /nfs/dbraw/zinc/67/94/15/847679415.db2.gz WFVRNNLSHJRUTJ-AAEUAGOBSA-N 1 3 287.835 1.645 10 30 CDEEHO CC#CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001566600925 1168352158 /nfs/dbraw/zinc/35/21/58/1168352158.db2.gz QXNITEKXTBUNDQ-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001566600925 1168352165 /nfs/dbraw/zinc/35/21/65/1168352165.db2.gz QXNITEKXTBUNDQ-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567097302 1168560560 /nfs/dbraw/zinc/56/05/60/1168560560.db2.gz YLFUVKYZQHSSPF-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567097302 1168560567 /nfs/dbraw/zinc/56/05/67/1168560567.db2.gz YLFUVKYZQHSSPF-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266560752 895362798 /nfs/dbraw/zinc/36/27/98/895362798.db2.gz VKGYXPCLAYDQFP-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266560752 895362810 /nfs/dbraw/zinc/36/28/10/895362810.db2.gz VKGYXPCLAYDQFP-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001481112767 898883371 /nfs/dbraw/zinc/88/33/71/898883371.db2.gz RZWDBDNNGGYATK-CVEARBPZSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001481112767 898883381 /nfs/dbraw/zinc/88/33/81/898883381.db2.gz RZWDBDNNGGYATK-CVEARBPZSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267689315 899288142 /nfs/dbraw/zinc/28/81/42/899288142.db2.gz DBUQFBYKFBSPFO-CQSZACIVSA-N 1 3 290.411 1.699 10 30 CDEEHO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267689315 899288152 /nfs/dbraw/zinc/28/81/52/899288152.db2.gz DBUQFBYKFBSPFO-CQSZACIVSA-N 1 3 290.411 1.699 10 30 CDEEHO C=CC[NH+]1CCC(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001267944823 900017845 /nfs/dbraw/zinc/01/78/45/900017845.db2.gz NBLHGXWAKDSKFE-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001271567685 906523454 /nfs/dbraw/zinc/52/34/54/906523454.db2.gz ZXYSTMPQEGTNPO-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001271666791 906577390 /nfs/dbraw/zinc/57/73/90/906577390.db2.gz SYBSCYHSXQEQCB-KGLIPLIRSA-N 1 3 290.411 1.745 10 30 CDEEHO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001482650654 908114105 /nfs/dbraw/zinc/11/41/05/908114105.db2.gz XWKXEKFVMZPDNQ-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001482650654 908114097 /nfs/dbraw/zinc/11/40/97/908114097.db2.gz XWKXEKFVMZPDNQ-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)N(C)C ZINC001567965188 1169097823 /nfs/dbraw/zinc/09/78/23/1169097823.db2.gz GDRODTKGFIPRDN-KBPBESRZSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001484511995 915835680 /nfs/dbraw/zinc/83/56/80/915835680.db2.gz NMEKKJSRJXBKSQ-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]C(C)C)CC1 ZINC001485230242 916684626 /nfs/dbraw/zinc/68/46/26/916684626.db2.gz RMXHJBYHMLLKIK-KBPBESRZSA-N 1 3 279.428 1.223 10 30 CDEEHO C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001485428111 916975070 /nfs/dbraw/zinc/97/50/70/916975070.db2.gz IFYXTRUDYUBFHM-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001485687005 917183887 /nfs/dbraw/zinc/18/38/87/917183887.db2.gz OLLOYTFPKQIXRI-KKUMJFAQSA-N 1 3 281.444 1.633 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001325405383 919498813 /nfs/dbraw/zinc/49/88/13/919498813.db2.gz FZFQFKDEMSSZDG-GJZGRUSLSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CC[N@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001486510109 921089568 /nfs/dbraw/zinc/08/95/68/921089568.db2.gz IZZNSEMRHJYKEG-UHFFFAOYSA-N 1 3 277.412 1.405 10 30 CDEEHO C=CC[N@@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001486510109 921089575 /nfs/dbraw/zinc/08/95/75/921089575.db2.gz IZZNSEMRHJYKEG-UHFFFAOYSA-N 1 3 277.412 1.405 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CCCC)CC1 ZINC001273204559 924874206 /nfs/dbraw/zinc/87/42/06/924874206.db2.gz LTOSBOFJERZVDR-OAHLLOKOSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001275649629 931927615 /nfs/dbraw/zinc/92/76/15/931927615.db2.gz XFRVBHPYSBKVQU-CQSZACIVSA-N 1 3 281.444 1.424 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001275649629 931927620 /nfs/dbraw/zinc/92/76/20/931927620.db2.gz XFRVBHPYSBKVQU-CQSZACIVSA-N 1 3 281.444 1.424 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001277176925 942120452 /nfs/dbraw/zinc/12/04/52/942120452.db2.gz FAGYFHSUQKKDCN-UHFFFAOYSA-N 1 3 281.444 1.779 10 30 CDEEHO C=CC[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001283239813 942864049 /nfs/dbraw/zinc/86/40/49/942864049.db2.gz PGUSOVCSHIGMCV-ZIAGYGMSSA-N 1 3 267.417 1.389 10 30 CDEEHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001263928190 944034402 /nfs/dbraw/zinc/03/44/02/944034402.db2.gz USKONYBBOMVIRE-ARFHVFGLSA-N 1 3 293.455 1.470 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265452852 944392198 /nfs/dbraw/zinc/39/21/98/944392198.db2.gz QRKAJKUCVHHGNM-INIZCTEOSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001480294667 971662022 /nfs/dbraw/zinc/66/20/22/971662022.db2.gz MVNQFPAROBPGMO-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001327258880 954797772 /nfs/dbraw/zinc/79/77/72/954797772.db2.gz VIWLSQQTUTXYLH-AWEZNQCLSA-N 1 3 267.417 1.295 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001327258880 954797783 /nfs/dbraw/zinc/79/77/83/954797783.db2.gz VIWLSQQTUTXYLH-AWEZNQCLSA-N 1 3 267.417 1.295 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001327290827 954815068 /nfs/dbraw/zinc/81/50/68/954815068.db2.gz IQCZLEUYHWZOCP-UHFFFAOYSA-N 1 3 279.428 1.276 10 30 CDEEHO C#CC[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001327995800 955150770 /nfs/dbraw/zinc/15/07/70/955150770.db2.gz OEMHFJWGGHOCID-UHFFFAOYSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001491934217 955533352 /nfs/dbraw/zinc/53/33/52/955533352.db2.gz VZDNUNNERJGMEJ-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001491934217 955533363 /nfs/dbraw/zinc/53/33/63/955533363.db2.gz VZDNUNNERJGMEJ-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001330000282 956228328 /nfs/dbraw/zinc/22/83/28/956228328.db2.gz OTQXDYOWBKXCLN-ZDUSSCGKSA-N 1 3 279.428 1.483 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)N(C)C)C1 ZINC001330020081 956236397 /nfs/dbraw/zinc/23/63/97/956236397.db2.gz GIJFHHHKFMQLSJ-UKRRQHHQSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001331462905 957078939 /nfs/dbraw/zinc/07/89/39/957078939.db2.gz ZIZOLWHRDUSMCP-KBPBESRZSA-N 1 3 285.407 1.126 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001317076054 957252400 /nfs/dbraw/zinc/25/24/00/957252400.db2.gz LMJRXFFROSPZBQ-RBSFLKMASA-N 1 3 279.428 1.672 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001317126940 957291144 /nfs/dbraw/zinc/29/11/44/957291144.db2.gz BPACSRXCIQAPLM-TUVASFSCSA-N 1 3 279.428 1.672 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001324066122 961150459 /nfs/dbraw/zinc/15/04/59/961150459.db2.gz BXVVUAJLPOIJLL-HUUCEWRRSA-N 1 3 291.439 1.463 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001324286073 961285387 /nfs/dbraw/zinc/28/53/87/961285387.db2.gz NSTQUXZNPXDJPD-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001346497056 965143583 /nfs/dbraw/zinc/14/35/83/965143583.db2.gz YTUPNWHDNGVBQC-KBPBESRZSA-N 1 3 267.417 1.566 10 30 CDEEHO C=CCC[NH+]1CCC(C)(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001569575133 1169927748 /nfs/dbraw/zinc/92/77/48/1169927748.db2.gz HYTXJCGNXXBQAK-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[N@@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001496780543 973092319 /nfs/dbraw/zinc/09/23/19/973092319.db2.gz GRLGAJFZBCLEGY-UHFFFAOYSA-N 1 3 281.444 1.378 10 30 CDEEHO C#CCC[N@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001496780543 973092327 /nfs/dbraw/zinc/09/23/27/973092327.db2.gz GRLGAJFZBCLEGY-UHFFFAOYSA-N 1 3 281.444 1.378 10 30 CDEEHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001499845002 974314864 /nfs/dbraw/zinc/31/48/64/974314864.db2.gz TYQGTYCTQWDRGZ-CABCVRRESA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[NH2+][C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@@H]1C ZINC001502747403 974775213 /nfs/dbraw/zinc/77/52/13/974775213.db2.gz BNDLTOKJRZZJSX-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001505434236 974876819 /nfs/dbraw/zinc/87/68/19/974876819.db2.gz NHOBAUUEKXTDNZ-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001505434236 974876822 /nfs/dbraw/zinc/87/68/22/974876822.db2.gz NHOBAUUEKXTDNZ-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001569810048 1170002168 /nfs/dbraw/zinc/00/21/68/1170002168.db2.gz FJMAKOLTILKVQL-GJZGRUSLSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCC[NH+]1CC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001675343757 1174104519 /nfs/dbraw/zinc/10/45/19/1174104519.db2.gz UZFGPJZBGSEMAU-CQSZACIVSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001570198973 1170110483 /nfs/dbraw/zinc/11/04/83/1170110483.db2.gz SNTGDYJULBLZBB-AWEZNQCLSA-N 1 3 269.433 1.539 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001570198973 1170110486 /nfs/dbraw/zinc/11/04/86/1170110486.db2.gz SNTGDYJULBLZBB-AWEZNQCLSA-N 1 3 269.433 1.539 10 30 CDEEHO COc1ccc(C[N@H+](C)C[C@@H]2CCN(C)C2)cc1C#N ZINC000087833399 361799289 /nfs/dbraw/zinc/79/92/89/361799289.db2.gz NKXLEUYXENWBTJ-CQSZACIVSA-N 1 3 273.380 1.950 10 30 CDEEHO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)cc1C#N ZINC000087833399 361799292 /nfs/dbraw/zinc/79/92/92/361799292.db2.gz NKXLEUYXENWBTJ-CQSZACIVSA-N 1 3 273.380 1.950 10 30 CDEEHO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000592346099 342686100 /nfs/dbraw/zinc/68/61/00/342686100.db2.gz PKRJKIRKZNXQRH-OAHLLOKOSA-N 1 3 294.443 1.420 10 30 CDEEHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594441737 342907747 /nfs/dbraw/zinc/90/77/47/342907747.db2.gz VXNUPQCCGJQRLR-UONOGXRCSA-N 1 3 280.416 1.340 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000594449398 342909536 /nfs/dbraw/zinc/90/95/36/342909536.db2.gz IOOZNJAQRISZEG-CHWSQXEVSA-N 1 3 278.400 1.189 10 30 CDEEHO CC[NH+](CC)CCCNC[C@H](O)CC1(C#N)CC1 ZINC000600712835 342243839 /nfs/dbraw/zinc/24/38/39/342243839.db2.gz AYKUVRRKIXDOEI-CYBMUJFWSA-N 1 3 253.390 1.363 10 30 CDEEHO CCN(CC)CCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600712835 342243840 /nfs/dbraw/zinc/24/38/40/342243840.db2.gz AYKUVRRKIXDOEI-CYBMUJFWSA-N 1 3 253.390 1.363 10 30 CDEEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716787 342244238 /nfs/dbraw/zinc/24/42/38/342244238.db2.gz MJJSMGHPZMODKC-OAGGEKHMSA-N 1 3 293.455 1.999 10 30 CDEEHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716787 342244239 /nfs/dbraw/zinc/24/42/39/342244239.db2.gz MJJSMGHPZMODKC-OAGGEKHMSA-N 1 3 293.455 1.999 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000594456550 342911606 /nfs/dbraw/zinc/91/16/06/342911606.db2.gz QJAMVKVYFCYYNF-CHWSQXEVSA-N 1 3 266.389 1.031 10 30 CDEEHO CN(C)CCC[N@H+](C)CCNc1cc(C#N)ccn1 ZINC000596425885 343312145 /nfs/dbraw/zinc/31/21/45/343312145.db2.gz YARVGQDRGKPLAO-UHFFFAOYSA-N 1 3 261.373 1.249 10 30 CDEEHO CN(C)CCC[N@@H+](C)CCNc1cc(C#N)ccn1 ZINC000596425885 343312147 /nfs/dbraw/zinc/31/21/47/343312147.db2.gz YARVGQDRGKPLAO-UHFFFAOYSA-N 1 3 261.373 1.249 10 30 CDEEHO C=CC[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000629650149 363250567 /nfs/dbraw/zinc/25/05/67/363250567.db2.gz PIDZUWFOMXYAAO-UONOGXRCSA-N 1 3 265.401 1.082 10 30 CDEEHO C=CC[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000629650149 363250569 /nfs/dbraw/zinc/25/05/69/363250569.db2.gz PIDZUWFOMXYAAO-UONOGXRCSA-N 1 3 265.401 1.082 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626969860 367105274 /nfs/dbraw/zinc/10/52/74/367105274.db2.gz BABXSHLLLFSVSB-GXTWGEPZSA-N 1 3 280.416 1.077 10 30 CDEEHO C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001661554592 1172405434 /nfs/dbraw/zinc/40/54/34/1172405434.db2.gz DAVSPIBIVSQAEW-CVEARBPZSA-N 1 3 293.455 1.826 10 30 CDEEHO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001661554592 1172405439 /nfs/dbraw/zinc/40/54/39/1172405439.db2.gz DAVSPIBIVSQAEW-CVEARBPZSA-N 1 3 293.455 1.826 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001662686018 1172580788 /nfs/dbraw/zinc/58/07/88/1172580788.db2.gz UWNBAZGSCSNFPA-HUUCEWRRSA-N 1 3 279.428 1.342 10 30 CDEEHO CC(C#N)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427153053 390912026 /nfs/dbraw/zinc/91/20/26/390912026.db2.gz OXUWYCKRRNHZAG-UONOGXRCSA-N 1 3 279.384 1.249 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001664849628 1172921032 /nfs/dbraw/zinc/92/10/32/1172921032.db2.gz SRXAGPLVLRYCRO-CABCVRRESA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001664849628 1172921035 /nfs/dbraw/zinc/92/10/35/1172921035.db2.gz SRXAGPLVLRYCRO-CABCVRRESA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[C@]1(C(=O)N2CC[C@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000662708569 413357179 /nfs/dbraw/zinc/35/71/79/413357179.db2.gz MYUKZGRUUMKJNV-GOEBONIOSA-N 1 3 277.412 1.381 10 30 CDEEHO C=CC[C@]1(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CCC[NH2+]1 ZINC000662743907 413417690 /nfs/dbraw/zinc/41/76/90/413417690.db2.gz APTMYGDDHVWUEC-IJEWVQPXSA-N 1 3 279.428 1.626 10 30 CDEEHO CN1CC[C@@H](C[N@H+](C)Cc2ccc(F)c(C#CCO)c2)C1 ZINC000071190508 176066887 /nfs/dbraw/zinc/06/68/87/176066887.db2.gz OYHVQFKAUVMOIQ-OAHLLOKOSA-N 1 3 290.382 1.553 10 30 CDEEHO CN1CC[C@@H](C[N@@H+](C)Cc2ccc(F)c(C#CCO)c2)C1 ZINC000071190508 176066889 /nfs/dbraw/zinc/06/68/89/176066889.db2.gz OYHVQFKAUVMOIQ-OAHLLOKOSA-N 1 3 290.382 1.553 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001667032690 1173225081 /nfs/dbraw/zinc/22/50/81/1173225081.db2.gz DLMDWFQXTVJHNT-ZIAGYGMSSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCC[NH2+]1 ZINC000662855266 424530572 /nfs/dbraw/zinc/53/05/72/424530572.db2.gz WCKAWTUAKUYEIC-CZUORRHYSA-N 1 3 279.428 1.674 10 30 CDEEHO C=C(C)C[NH+]1CCC(C)(NC(=O)CN(C)C(C)C)CC1 ZINC001671436945 1173680777 /nfs/dbraw/zinc/68/07/77/1173680777.db2.gz HAGWKZSRRKYGSP-UHFFFAOYSA-N 1 3 281.444 1.873 10 30 CDEEHO CCN(CC)[C@@H]1CCN(C(NC2CCC2)=[NH+]C)C1 ZINC000262795268 330032043 /nfs/dbraw/zinc/03/20/43/330032043.db2.gz PKIJHNYMTPXDFI-CYBMUJFWSA-N 1 3 252.406 1.530 10 30 CDEEHO C=C(C)CCN1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483676710 1161055459 /nfs/dbraw/zinc/05/54/59/1161055459.db2.gz POKBOKCZAGAXLS-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001713310457 1178488332 /nfs/dbraw/zinc/48/83/32/1178488332.db2.gz VAWXONWIJMJZDS-KBPBESRZSA-N 1 3 267.417 1.530 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001714571720 1179225700 /nfs/dbraw/zinc/22/57/00/1179225700.db2.gz GWCHTAKINAHVLJ-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)CN1CC[C@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001715029338 1179517283 /nfs/dbraw/zinc/51/72/83/1179517283.db2.gz DOUWBEWMGQPWSL-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)CN1CC[C@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001715029338 1179517286 /nfs/dbraw/zinc/51/72/86/1179517286.db2.gz DOUWBEWMGQPWSL-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001716479118 1180243428 /nfs/dbraw/zinc/24/34/28/1180243428.db2.gz ZCUBTXXURPNHAH-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001716479118 1180243432 /nfs/dbraw/zinc/24/34/32/1180243432.db2.gz ZCUBTXXURPNHAH-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO CN(CC[NH+]1CCCC1)Cc1ccc(C#CCN)cc1 ZINC000063052837 522828262 /nfs/dbraw/zinc/82/82/62/522828262.db2.gz ASLLUQWKDPDWAH-UHFFFAOYSA-N 1 3 271.408 1.524 10 30 CDEEHO NCC#Cc1cccc(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000049608333 527151255 /nfs/dbraw/zinc/15/12/55/527151255.db2.gz FSWGNDNKYYOMMF-MRXNPFEDSA-N 1 3 258.365 1.201 10 30 CDEEHO NCC#Cc1cccc(C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000049608333 527151259 /nfs/dbraw/zinc/15/12/59/527151259.db2.gz FSWGNDNKYYOMMF-MRXNPFEDSA-N 1 3 258.365 1.201 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1CC ZINC001670596527 1158654553 /nfs/dbraw/zinc/65/45/53/1158654553.db2.gz WLQKTBQOGCVFRK-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001272152042 1160661213 /nfs/dbraw/zinc/66/12/13/1160661213.db2.gz NBXFEVQVAIKNLW-CQSZACIVSA-N 1 3 267.417 1.295 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001272152042 1160661215 /nfs/dbraw/zinc/66/12/15/1160661215.db2.gz NBXFEVQVAIKNLW-CQSZACIVSA-N 1 3 267.417 1.295 10 30 CDEEHO C=CCNC(=O)CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156692 1165388294 /nfs/dbraw/zinc/38/82/94/1165388294.db2.gz CJHUCFZRRIOULS-HOCLYGCPSA-N 1 3 293.455 1.908 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000876723740 1165900397 /nfs/dbraw/zinc/90/03/97/1165900397.db2.gz GMWOXRILESSVBE-VXGBXAGGSA-N 1 3 273.808 1.447 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001565864402 1168190236 /nfs/dbraw/zinc/19/02/36/1168190236.db2.gz RLTXTODIPPKHKT-BZUAXINKSA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001649444689 1169254875 /nfs/dbraw/zinc/25/48/75/1169254875.db2.gz TXRFYFHNRKJRGK-ZIAGYGMSSA-N 1 3 269.433 1.633 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(C)C)CC1 ZINC001570653621 1170224337 /nfs/dbraw/zinc/22/43/37/1170224337.db2.gz UDCCDXOSVJBDQI-HUUCEWRRSA-N 1 3 293.455 1.470 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001698798172 1175938447 /nfs/dbraw/zinc/93/84/47/1175938447.db2.gz ZBDCAJJOOJRCFU-UHFFFAOYSA-N 1 3 279.428 1.675 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001699734443 1176597675 /nfs/dbraw/zinc/59/76/75/1176597675.db2.gz NKYXZUYPNZSIOS-CABCVRRESA-N 1 3 291.439 1.463 10 30 CDEEHO C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001713418253 1178548755 /nfs/dbraw/zinc/54/87/55/1178548755.db2.gz AYLRLCZQYNUCAS-CVEARBPZSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001713938286 1178864826 /nfs/dbraw/zinc/86/48/26/1178864826.db2.gz WHFZRTLKKCLIST-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001714614137 1179269100 /nfs/dbraw/zinc/26/91/00/1179269100.db2.gz IPCIIPSQLISWBF-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714614137 1179269109 /nfs/dbraw/zinc/26/91/09/1179269109.db2.gz IPCIIPSQLISWBF-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001715463956 1179674518 /nfs/dbraw/zinc/67/45/18/1179674518.db2.gz YVXOOOCDOLRCHU-OAHLLOKOSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001715539569 1179708561 /nfs/dbraw/zinc/70/85/61/1179708561.db2.gz LNHGGRNRZCMEJI-ZIAGYGMSSA-N 1 3 267.417 1.435 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001717092943 1180529645 /nfs/dbraw/zinc/52/96/45/1180529645.db2.gz HIXZOHOUQDDERP-LSDHHAIUSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001717125142 1180537909 /nfs/dbraw/zinc/53/79/09/1180537909.db2.gz GQZZKAOPRZYTTJ-WKILWMFISA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CCO1 ZINC001717184015 1180564095 /nfs/dbraw/zinc/56/40/95/1180564095.db2.gz ULPSOARQVIBHGD-HNNXBMFYSA-N 1 3 297.443 1.111 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001731863287 1182634831 /nfs/dbraw/zinc/63/48/31/1182634831.db2.gz YYFNYFAFLVBVBC-AWEZNQCLSA-N 1 3 290.411 1.665 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001731863287 1182634836 /nfs/dbraw/zinc/63/48/36/1182634836.db2.gz YYFNYFAFLVBVBC-AWEZNQCLSA-N 1 3 290.411 1.665 10 30 CDEEHO C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001734060515 1183642580 /nfs/dbraw/zinc/64/25/80/1183642580.db2.gz VRGTVIIQUMASLA-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001734060515 1183642583 /nfs/dbraw/zinc/64/25/83/1183642583.db2.gz VRGTVIIQUMASLA-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000876777289 697765529 /nfs/dbraw/zinc/76/55/29/697765529.db2.gz PKVRTUPQUUQQQE-OLZOCXBDSA-N 1 3 287.835 1.647 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000876777289 697765530 /nfs/dbraw/zinc/76/55/30/697765530.db2.gz PKVRTUPQUUQQQE-OLZOCXBDSA-N 1 3 287.835 1.647 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCSC ZINC000304755778 697950189 /nfs/dbraw/zinc/95/01/89/697950189.db2.gz NBACPGFPXXKPPT-GFCCVEGCSA-N 1 3 272.462 1.518 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000876844189 698154647 /nfs/dbraw/zinc/15/46/47/698154647.db2.gz WWLUPPNIUSBYSP-LLVKDONJSA-N 1 3 297.761 1.880 10 30 CDEEHO C=CCN(CC=C)C(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923505058 698326708 /nfs/dbraw/zinc/32/67/08/698326708.db2.gz XFDGAFXHXUVBLF-UONOGXRCSA-N 1 3 265.401 1.104 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876726924 698934402 /nfs/dbraw/zinc/93/44/02/698934402.db2.gz BSMSUURITGOWSS-PWSUYJOCSA-N 1 3 271.792 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000876726924 698934415 /nfs/dbraw/zinc/93/44/15/698934415.db2.gz BSMSUURITGOWSS-PWSUYJOCSA-N 1 3 271.792 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000877159812 1165985970 /nfs/dbraw/zinc/98/59/70/1165985970.db2.gz MCJXJBXLTLOVOB-KBPBESRZSA-N 1 3 295.814 1.533 10 30 CDEEHO CC#CC[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001276138644 1166736565 /nfs/dbraw/zinc/73/65/65/1166736565.db2.gz PBPHKNLUDSFGER-HNNXBMFYSA-N 1 3 290.411 1.438 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1(C[NH3+])CCCCC1 ZINC000877205385 848498000 /nfs/dbraw/zinc/49/80/00/848498000.db2.gz GMOJXGGFNPWSBE-SNVBAGLBSA-N 1 3 259.781 1.234 10 30 CDEEHO C#C[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000847018307 848886780 /nfs/dbraw/zinc/88/67/80/848886780.db2.gz IYYMRWBEPBZXNP-KRWDZBQOSA-N 1 3 277.456 1.748 10 30 CDEEHO C#C[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000847018307 848886789 /nfs/dbraw/zinc/88/67/89/848886789.db2.gz IYYMRWBEPBZXNP-KRWDZBQOSA-N 1 3 277.456 1.748 10 30 CDEEHO C#C[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000847018309 849569232 /nfs/dbraw/zinc/56/92/32/849569232.db2.gz IYYMRWBEPBZXNP-QGZVFWFLSA-N 1 3 277.456 1.748 10 30 CDEEHO C#C[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000847018309 849569235 /nfs/dbraw/zinc/56/92/35/849569235.db2.gz IYYMRWBEPBZXNP-QGZVFWFLSA-N 1 3 277.456 1.748 10 30 CDEEHO CN(C)c1ccc(C#N)cc1CNCCOCC[NH+](C)C ZINC000865530274 850028424 /nfs/dbraw/zinc/02/84/24/850028424.db2.gz GNDGLNDSZHEMMV-UHFFFAOYSA-N 1 3 290.411 1.292 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000876933009 850275314 /nfs/dbraw/zinc/27/53/14/850275314.db2.gz BTNYEXOFOQWHPC-VXGBXAGGSA-N 1 3 285.819 1.447 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001566723093 1168400718 /nfs/dbraw/zinc/40/07/18/1168400718.db2.gz VXNHJRDWFKBNSS-JKSUJKDBSA-N 1 3 291.439 1.367 10 30 CDEEHO CC#CCN1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267301681 897520606 /nfs/dbraw/zinc/52/06/06/897520606.db2.gz DHRVZKSNPAWZBO-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001481340059 900452711 /nfs/dbraw/zinc/45/27/11/900452711.db2.gz OFVCQBBXBVIZDB-ZFWWWQNUSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001481496786 900923372 /nfs/dbraw/zinc/92/33/72/900923372.db2.gz FVBBTKKCLVJMLO-GJZGRUSLSA-N 1 3 279.428 1.295 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001481496786 900923378 /nfs/dbraw/zinc/92/33/78/900923378.db2.gz FVBBTKKCLVJMLO-GJZGRUSLSA-N 1 3 279.428 1.295 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001481496788 900923511 /nfs/dbraw/zinc/92/35/11/900923511.db2.gz FVBBTKKCLVJMLO-LSDHHAIUSA-N 1 3 279.428 1.295 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001481496788 900923516 /nfs/dbraw/zinc/92/35/16/900923516.db2.gz FVBBTKKCLVJMLO-LSDHHAIUSA-N 1 3 279.428 1.295 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001268522647 902502563 /nfs/dbraw/zinc/50/25/63/902502563.db2.gz MLANCYPFIPSETG-KXLSMFKISA-N 1 3 279.428 1.697 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001482110195 902657273 /nfs/dbraw/zinc/65/72/73/902657273.db2.gz LXUNSTLRLCXTJW-ZIAGYGMSSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001268582109 902665554 /nfs/dbraw/zinc/66/55/54/902665554.db2.gz GAKWEDJTJLGGBE-LLYBFZRZSA-N 1 3 277.412 1.004 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001268582109 902665559 /nfs/dbraw/zinc/66/55/59/902665559.db2.gz GAKWEDJTJLGGBE-LLYBFZRZSA-N 1 3 277.412 1.004 10 30 CDEEHO C=CC[NH2+]CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268847767 903177927 /nfs/dbraw/zinc/17/79/27/903177927.db2.gz MYSUUSCZIIONHQ-MRXNPFEDSA-N 1 3 299.434 1.823 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001271759046 906780941 /nfs/dbraw/zinc/78/09/41/906780941.db2.gz LFAOLQLRWSZMRL-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001484378291 915693204 /nfs/dbraw/zinc/69/32/04/915693204.db2.gz WOUUXKQXOFTEKJ-LSDHHAIUSA-N 1 3 295.471 1.834 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001484724008 916081151 /nfs/dbraw/zinc/08/11/51/916081151.db2.gz MDBXEPGIJRSZRZ-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001484724008 916081167 /nfs/dbraw/zinc/08/11/67/916081167.db2.gz MDBXEPGIJRSZRZ-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001275422338 931784705 /nfs/dbraw/zinc/78/47/05/931784705.db2.gz TVWQINNLTFLRLH-RYUDHWBXSA-N 1 3 278.400 1.710 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC001122160419 937909621 /nfs/dbraw/zinc/90/96/21/937909621.db2.gz OFZQXSAFUQLWMJ-ZDUSSCGKSA-N 1 3 269.433 1.907 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NC(C)(C)C[N@H+](C)CCC ZINC001122160419 937909622 /nfs/dbraw/zinc/90/96/22/937909622.db2.gz OFZQXSAFUQLWMJ-ZDUSSCGKSA-N 1 3 269.433 1.907 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001277046306 941864100 /nfs/dbraw/zinc/86/41/00/941864100.db2.gz NAUUDNMQQITDBF-KKUMJFAQSA-N 1 3 279.428 1.389 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001277258995 942252298 /nfs/dbraw/zinc/25/22/98/942252298.db2.gz GLKUGUBFHGFGPS-CHWSQXEVSA-N 1 3 265.401 1.284 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001281957635 942637524 /nfs/dbraw/zinc/63/75/24/942637524.db2.gz SIDONFKBPZQHAT-HNNXBMFYSA-N 1 3 279.428 1.437 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001282334482 942689402 /nfs/dbraw/zinc/68/94/02/942689402.db2.gz AMAASWXNCKVHHO-GASCZTMLSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CCN1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001282677536 942737790 /nfs/dbraw/zinc/73/77/90/942737790.db2.gz BILPKTAEQMYLMH-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CCN1CCCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001282677536 942737795 /nfs/dbraw/zinc/73/77/95/942737795.db2.gz BILPKTAEQMYLMH-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CCN1CC[C@]2(NC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001284071015 943069945 /nfs/dbraw/zinc/06/99/45/943069945.db2.gz LBZRWACLHFZVOL-NVXWUHKLSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN1CC[C@]2(NC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001284071015 943069954 /nfs/dbraw/zinc/06/99/54/943069954.db2.gz LBZRWACLHFZVOL-NVXWUHKLSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001263905353 944026107 /nfs/dbraw/zinc/02/61/07/944026107.db2.gz VZWSSJBJZWONIK-LSDHHAIUSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCC[NH+]1CCC(N(C)C(=O)CN(C)CCC)CC1 ZINC001265199903 944267974 /nfs/dbraw/zinc/26/79/74/944267974.db2.gz FKHGZIBYRPXESG-UHFFFAOYSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001265682560 944468401 /nfs/dbraw/zinc/46/84/01/944468401.db2.gz UGGKESDTECADHH-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001266023440 944638090 /nfs/dbraw/zinc/63/80/90/944638090.db2.gz LSHYDSFJKNCJGU-INIZCTEOSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCN(C)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001278918625 948224424 /nfs/dbraw/zinc/22/44/24/948224424.db2.gz SUXAPCLQNXWXBO-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCN(C)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001278918625 948224430 /nfs/dbraw/zinc/22/44/30/948224430.db2.gz SUXAPCLQNXWXBO-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C ZINC001278973353 948442207 /nfs/dbraw/zinc/44/22/07/948442207.db2.gz SGZYUIABPQPINY-CHWSQXEVSA-N 1 3 269.433 1.633 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001327213441 954773630 /nfs/dbraw/zinc/77/36/30/954773630.db2.gz REFQXVNBCQSTJE-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001327213441 954773649 /nfs/dbraw/zinc/77/36/49/954773649.db2.gz REFQXVNBCQSTJE-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001329102803 955686327 /nfs/dbraw/zinc/68/63/27/955686327.db2.gz HKWVKUCDJGGDKJ-KBPBESRZSA-N 1 3 279.428 1.367 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)CCC ZINC001329170579 955732742 /nfs/dbraw/zinc/73/27/42/955732742.db2.gz IOASSMHXFLKECD-OLZOCXBDSA-N 1 3 255.406 1.387 10 30 CDEEHO 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275.824 1.517 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001690826328 1175583711 /nfs/dbraw/zinc/58/37/11/1175583711.db2.gz DOSYUVXMIKFXOQ-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001690826328 1175583718 /nfs/dbraw/zinc/58/37/18/1175583718.db2.gz DOSYUVXMIKFXOQ-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001691979694 1175662633 /nfs/dbraw/zinc/66/26/33/1175662633.db2.gz RBMHKBRORHNMPD-KBPBESRZSA-N 1 3 267.417 1.293 10 30 CDEEHO C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001268364281 1159902471 /nfs/dbraw/zinc/90/24/71/1159902471.db2.gz BZBDLWKZGSKJMD-HUUCEWRRSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001269236093 1160044119 /nfs/dbraw/zinc/04/41/19/1160044119.db2.gz VOFQUCXLBIUDFJ-QLFBSQMISA-N 1 3 279.428 1.483 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001482331147 1160155258 /nfs/dbraw/zinc/15/52/58/1160155258.db2.gz OCGXZCIINCBVOX-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)[C@@H](CO)N1CCC(C[NH+]2CCCC2)CC1 ZINC000677133456 482542621 /nfs/dbraw/zinc/54/26/21/482542621.db2.gz WRLIUABXQBKGJR-OAHLLOKOSA-N 1 3 252.402 1.731 10 30 CDEEHO C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001715711993 1179772319 /nfs/dbraw/zinc/77/23/19/1179772319.db2.gz GSTQZQUJRSIOKE-CABCVRRESA-N 1 3 279.428 1.369 10 30 CDEEHO CC(C)N1CCN(Cc2ccc(F)c(C#CC[NH3+])c2)CC1 ZINC000049609282 519682008 /nfs/dbraw/zinc/68/20/08/519682008.db2.gz RKYSZYJZIRBMCE-UHFFFAOYSA-N 1 3 289.398 1.662 10 30 CDEEHO CCN1CCN(Cc2ccc(OC)c(C#CC[NH3+])c2)CC1 ZINC000049608711 521688672 /nfs/dbraw/zinc/68/86/72/521688672.db2.gz WQUOXDZHEDKCDA-UHFFFAOYSA-N 1 3 287.407 1.143 10 30 CDEEHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(F)cc1C#CCN ZINC000049561925 524472493 /nfs/dbraw/zinc/47/24/93/524472493.db2.gz OXBMFLVSDJDEDL-LBPRGKRZSA-N 1 3 291.370 1.206 10 30 CDEEHO C=C(CN(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000764568826 575921138 /nfs/dbraw/zinc/92/11/38/575921138.db2.gz CKAZVASLMLPPIJ-TZMCWYRMSA-N 1 3 267.417 1.293 10 30 CDEEHO C=C(CN(C)C)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000764568826 575921139 /nfs/dbraw/zinc/92/11/39/575921139.db2.gz CKAZVASLMLPPIJ-TZMCWYRMSA-N 1 3 267.417 1.293 10 30 CDEEHO C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000939806255 612970276 /nfs/dbraw/zinc/97/02/76/612970276.db2.gz FASOOOUVWKHKIE-WMLDXEAASA-N 1 3 299.418 1.432 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941220811 613581184 /nfs/dbraw/zinc/58/11/84/613581184.db2.gz IDPXFIKZEPWZTD-LSDHHAIUSA-N 1 3 291.439 1.178 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941220811 613581185 /nfs/dbraw/zinc/58/11/85/613581185.db2.gz IDPXFIKZEPWZTD-LSDHHAIUSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCC[C@H](O)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426929 618333491 /nfs/dbraw/zinc/33/34/91/618333491.db2.gz HWRPBWIRZFJBDM-GJZGRUSLSA-N 1 3 252.402 1.779 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001724860722 1158839923 /nfs/dbraw/zinc/83/99/23/1158839923.db2.gz QEINPBCALWHKNG-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C=C(C)CN(CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001691222754 1158965321 /nfs/dbraw/zinc/96/53/21/1158965321.db2.gz HAEHZUNIEXLUOM-UHFFFAOYSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001269236093 1160044109 /nfs/dbraw/zinc/04/41/09/1160044109.db2.gz VOFQUCXLBIUDFJ-QLFBSQMISA-N 1 3 279.428 1.483 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001567155120 1168599881 /nfs/dbraw/zinc/59/98/81/1168599881.db2.gz MEYBAJHJAXAUEM-CABCVRRESA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCC[NH2+][C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001662349523 1172533881 /nfs/dbraw/zinc/53/38/81/1172533881.db2.gz DBYLMVZUUDHUHL-CABCVRRESA-N 1 3 279.428 1.369 10 30 CDEEHO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001664811636 1172915379 /nfs/dbraw/zinc/91/53/79/1172915379.db2.gz DIMPGZCXSHYXHA-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001664811636 1172915385 /nfs/dbraw/zinc/91/53/85/1172915385.db2.gz DIMPGZCXSHYXHA-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001672228451 1173753442 /nfs/dbraw/zinc/75/34/42/1173753442.db2.gz PVSYWDVZCCPTSE-KBPBESRZSA-N 1 3 290.411 1.745 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001690737878 1175559487 /nfs/dbraw/zinc/55/94/87/1175559487.db2.gz ACHXEQIBBBBOBL-HUUCEWRRSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001691979694 1175662630 /nfs/dbraw/zinc/66/26/30/1175662630.db2.gz RBMHKBRORHNMPD-KBPBESRZSA-N 1 3 267.417 1.293 10 30 CDEEHO CC#CC[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001700770641 1177125097 /nfs/dbraw/zinc/12/50/97/1177125097.db2.gz OZTPVDQEXZXSTO-CQSZACIVSA-N 1 3 281.444 1.424 10 30 CDEEHO C=CCC[NH+]1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001713785764 1178752457 /nfs/dbraw/zinc/75/24/57/1178752457.db2.gz YGIYKEUXWOUJRZ-UHFFFAOYSA-N 1 3 281.444 1.826 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713932303 1178861802 /nfs/dbraw/zinc/86/18/02/1178861802.db2.gz KQZIUDOMGVDRDJ-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001714469678 1179157226 /nfs/dbraw/zinc/15/72/26/1179157226.db2.gz QBWZUJWMYJFBAS-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001715365921 1179644900 /nfs/dbraw/zinc/64/49/00/1179644900.db2.gz FZDVELCCFXVZPL-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001715576994 1179723206 /nfs/dbraw/zinc/72/32/06/1179723206.db2.gz NOKCYNUKRNKUDS-GJZGRUSLSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)CC[NH2+]C/C=C/CNC(=O)C1(N(C)C)CCC1 ZINC001716302290 1180148607 /nfs/dbraw/zinc/14/86/07/1180148607.db2.gz CDERBUJZTUYCOC-AATRIKPKSA-N 1 3 279.428 1.699 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001716398492 1180186520 /nfs/dbraw/zinc/18/65/20/1180186520.db2.gz XIIFFTANLZNVCS-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCC[N@@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001717207445 1180576298 /nfs/dbraw/zinc/57/62/98/1180576298.db2.gz CJOMYZBWCRUPJL-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[N@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001717207445 1180576303 /nfs/dbraw/zinc/57/63/03/1180576303.db2.gz CJOMYZBWCRUPJL-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001717973661 1180954869 /nfs/dbraw/zinc/95/48/69/1180954869.db2.gz ITSNRWUGQSTSRT-CQSZACIVSA-N 1 3 281.444 1.470 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001723303034 1181535179 /nfs/dbraw/zinc/53/51/79/1181535179.db2.gz WKMRYQHETANJEX-HOTGVXAUSA-N 1 3 293.455 1.921 10 30 CDEEHO CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001725451171 1182005717 /nfs/dbraw/zinc/00/57/17/1182005717.db2.gz CWVCBHQETQIZDC-CVEARBPZSA-N 1 3 293.455 1.759 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001731497006 1182421643 /nfs/dbraw/zinc/42/16/43/1182421643.db2.gz CEBXEWOFNCOAAE-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CC[NH2+]Cc1ccc(CNC(=O)CN(C)C(C)C)cc1 ZINC001732318000 1182904531 /nfs/dbraw/zinc/90/45/31/1182904531.db2.gz GMMILBRZEKEGNP-UHFFFAOYSA-N 1 3 287.407 1.366 10 30 CDEEHO C#CCNCCN(CC)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001732783837 1183124359 /nfs/dbraw/zinc/12/43/59/1183124359.db2.gz PCVFXBIDVVCXQB-UHFFFAOYSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCNCCN(CC)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001732783837 1183124362 /nfs/dbraw/zinc/12/43/62/1183124362.db2.gz PCVFXBIDVVCXQB-UHFFFAOYSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC)CC1 ZINC001037120391 709859841 /nfs/dbraw/zinc/85/98/41/709859841.db2.gz ILXSBXAKOSOOBU-HOTGVXAUSA-N 1 3 291.439 1.226 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000876935910 711560275 /nfs/dbraw/zinc/56/02/75/711560275.db2.gz SQLNDFYKRIBSCO-GHMZBOCLSA-N 1 3 271.792 1.247 10 30 CDEEHO CCN(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)CC(C)C ZINC000066243269 711668107 /nfs/dbraw/zinc/66/81/07/711668107.db2.gz NNLUNJQBBVAJRV-HUUCEWRRSA-N 1 3 298.475 1.826 10 30 CDEEHO C[NH+]=C(NCCN(C)C1CCCCC1)NC1CC1 ZINC000303386550 711720274 /nfs/dbraw/zinc/72/02/74/711720274.db2.gz AMVXKVXVUVXLFQ-UHFFFAOYSA-N 1 3 252.406 1.578 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000876523000 711834231 /nfs/dbraw/zinc/83/42/31/711834231.db2.gz HYZRQJQRKZDWLL-ONGXEEELSA-N 1 3 259.781 1.042 10 30 CDEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001272566619 913454513 /nfs/dbraw/zinc/45/45/13/913454513.db2.gz ZZJOICJFLXIUFS-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCN(CCC)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001567433142 1168758749 /nfs/dbraw/zinc/75/87/49/1168758749.db2.gz UKHSQLFNCKQKFY-GASCZTMLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN(CCC)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001567433142 1168758763 /nfs/dbraw/zinc/75/87/63/1168758763.db2.gz UKHSQLFNCKQKFY-GASCZTMLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001480923157 897080651 /nfs/dbraw/zinc/08/06/51/897080651.db2.gz MVMXLDJFPKLODW-ZIAGYGMSSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001480923157 897080669 /nfs/dbraw/zinc/08/06/69/897080669.db2.gz MVMXLDJFPKLODW-ZIAGYGMSSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001267302976 897530675 /nfs/dbraw/zinc/53/06/75/897530675.db2.gz JGXBRFKQVCTEMB-CABCVRRESA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001267302976 897530684 /nfs/dbraw/zinc/53/06/84/897530684.db2.gz JGXBRFKQVCTEMB-CABCVRRESA-N 1 3 279.428 1.342 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001272624185 914204540 /nfs/dbraw/zinc/20/45/40/914204540.db2.gz IISLJPGVXZKBOY-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001267568295 898392681 /nfs/dbraw/zinc/39/26/81/898392681.db2.gz IJCOOBCAOILQRI-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001267568295 898392689 /nfs/dbraw/zinc/39/26/89/898392689.db2.gz IJCOOBCAOILQRI-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267602543 898721352 /nfs/dbraw/zinc/72/13/52/898721352.db2.gz CUFQUZDGZAWVNL-OAHLLOKOSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CC[N@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267602543 898721355 /nfs/dbraw/zinc/72/13/55/898721355.db2.gz CUFQUZDGZAWVNL-OAHLLOKOSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267687261 899279272 /nfs/dbraw/zinc/27/92/72/899279272.db2.gz ZLWPOKPEOGBCKK-HNNXBMFYSA-N 1 3 281.444 1.587 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001481314533 900358208 /nfs/dbraw/zinc/35/82/08/900358208.db2.gz HLOITTLLTMYYAH-UHFFFAOYSA-N 1 3 253.390 1.096 10 30 CDEEHO C#CCCN1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001481530399 901085344 /nfs/dbraw/zinc/08/53/44/901085344.db2.gz RLCIPRRFKNEYFO-MRXNPFEDSA-N 1 3 291.439 1.466 10 30 CDEEHO C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001567744233 1168945760 /nfs/dbraw/zinc/94/57/60/1168945760.db2.gz FMNBMPKNMFWRSY-HNNXBMFYSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001567744233 1168945767 /nfs/dbraw/zinc/94/57/67/1168945767.db2.gz FMNBMPKNMFWRSY-HNNXBMFYSA-N 1 3 279.428 1.437 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001567742834 1168947130 /nfs/dbraw/zinc/94/71/30/1168947130.db2.gz VIYBOQJUCXGNOE-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001567742834 1168947142 /nfs/dbraw/zinc/94/71/42/1168947142.db2.gz VIYBOQJUCXGNOE-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001268247454 901659203 /nfs/dbraw/zinc/65/92/03/901659203.db2.gz LXMLVOQRIRYVQI-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268247454 901659210 /nfs/dbraw/zinc/65/92/10/901659210.db2.gz LXMLVOQRIRYVQI-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001409265412 908969867 /nfs/dbraw/zinc/96/98/67/908969867.db2.gz HATKNAGFKSVJQQ-UHFFFAOYSA-N 1 3 287.835 1.565 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001483188727 909933190 /nfs/dbraw/zinc/93/31/90/909933190.db2.gz TVWQINNLTFLRLH-VXGBXAGGSA-N 1 3 278.400 1.710 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001568059758 1169129527 /nfs/dbraw/zinc/12/95/27/1169129527.db2.gz ADEJURZZVOKLHM-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484161692 915484529 /nfs/dbraw/zinc/48/45/29/915484529.db2.gz YHKIUMQHBVNPLL-QGZVFWFLSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484161692 915484542 /nfs/dbraw/zinc/48/45/42/915484542.db2.gz YHKIUMQHBVNPLL-QGZVFWFLSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001484513771 915837997 /nfs/dbraw/zinc/83/79/97/915837997.db2.gz UHIPJRDIXYAYTQ-UONOGXRCSA-N 1 3 265.401 1.095 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001325405385 919497439 /nfs/dbraw/zinc/49/74/39/919497439.db2.gz FZFQFKDEMSSZDG-LSDHHAIUSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CC[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001568277687 1169219173 /nfs/dbraw/zinc/21/91/73/1169219173.db2.gz CVXXOEXGXFZHCE-LBPRGKRZSA-N 1 3 253.390 1.093 10 30 CDEEHO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001485960703 920629614 /nfs/dbraw/zinc/62/96/14/920629614.db2.gz KNLKFGSROQSQPQ-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001568330818 1169250310 /nfs/dbraw/zinc/25/03/10/1169250310.db2.gz FTUPEQYDRUVKQY-AWEZNQCLSA-N 1 3 279.428 1.224 10 30 CDEEHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(OCC#N)cc1 ZINC000863540523 929567540 /nfs/dbraw/zinc/56/75/40/929567540.db2.gz FLHNDPRZHCQYAO-CYBMUJFWSA-N 1 3 289.379 1.747 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]C(C)C)CC1 ZINC001274841514 931589421 /nfs/dbraw/zinc/58/94/21/931589421.db2.gz TZBRTAKTGWQAMP-AWEZNQCLSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCCC[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001275310047 931731315 /nfs/dbraw/zinc/73/13/15/931731315.db2.gz XSRKHKVGTCWXKZ-KBPBESRZSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001275334989 931737158 /nfs/dbraw/zinc/73/71/58/931737158.db2.gz WCZCOTFUHNRUFM-UONOGXRCSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)COC1CC[NH+](C)CC1 ZINC001568554233 1169365889 /nfs/dbraw/zinc/36/58/89/1169365889.db2.gz KZBLMCGJZYFMRB-UHFFFAOYSA-N 1 3 297.443 1.064 10 30 CDEEHO C#CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001568633079 1169409226 /nfs/dbraw/zinc/40/92/26/1169409226.db2.gz XCKCKQFCRWOQHE-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001282274009 942685749 /nfs/dbraw/zinc/68/57/49/942685749.db2.gz BUFHCWWDWWKEOJ-YMAMQOFZSA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001282455999 942717467 /nfs/dbraw/zinc/71/74/67/942717467.db2.gz VMBYQYYQKGSLEH-UONOGXRCSA-N 1 3 269.433 1.585 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001282455999 942717469 /nfs/dbraw/zinc/71/74/69/942717469.db2.gz VMBYQYYQKGSLEH-UONOGXRCSA-N 1 3 269.433 1.585 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001283701991 942972841 /nfs/dbraw/zinc/97/28/41/942972841.db2.gz HKHRZDSQLSMIGU-KBPBESRZSA-N 1 3 269.433 1.729 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)CCC)C1 ZINC001284244975 943129331 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C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001279039696 948633703 /nfs/dbraw/zinc/63/37/03/948633703.db2.gz YCFZHTOEKGZCAG-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001480254593 971650041 /nfs/dbraw/zinc/65/00/41/971650041.db2.gz FTUWDQQVLLGUBQ-GJZGRUSLSA-N 1 3 299.434 1.681 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001480254593 971650046 /nfs/dbraw/zinc/65/00/46/971650046.db2.gz FTUWDQQVLLGUBQ-GJZGRUSLSA-N 1 3 299.434 1.681 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001480791281 971881008 /nfs/dbraw/zinc/88/10/08/971881008.db2.gz VNMGWXUGPVLSMV-UONOGXRCSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CCO1 ZINC001327035907 954669456 /nfs/dbraw/zinc/66/94/56/954669456.db2.gz PVSFOPDEYSAUEB-CABCVRRESA-N 1 3 297.443 1.110 10 30 CDEEHO CC#CC[NH2+]C1(C)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001328016690 955160594 /nfs/dbraw/zinc/16/05/94/955160594.db2.gz CIKNXTHAGCVWHR-AWEZNQCLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001317863290 957699316 /nfs/dbraw/zinc/69/93/16/957699316.db2.gz MSFAWXWBGGZWIV-HNNXBMFYSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001317863290 957699324 /nfs/dbraw/zinc/69/93/24/957699324.db2.gz MSFAWXWBGGZWIV-HNNXBMFYSA-N 1 3 281.444 1.683 10 30 CDEEHO CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001317881835 957708899 /nfs/dbraw/zinc/70/88/99/957708899.db2.gz KRARHMOSYXZKFC-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CC[N@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001317881835 957708908 /nfs/dbraw/zinc/70/89/08/957708908.db2.gz KRARHMOSYXZKFC-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[NH2+]CCC1CCN(C(=O)CN(C)CCC)CC1 ZINC001318928232 958308113 /nfs/dbraw/zinc/30/81/13/958308113.db2.gz FQFZSWOSDFWPIJ-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001320564901 959243911 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CC#CCN(C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001502246446 974718676 /nfs/dbraw/zinc/71/86/76/974718676.db2.gz UZOMSLTZRPXIPX-INIZCTEOSA-N 1 3 291.439 1.132 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001503015771 974810406 /nfs/dbraw/zinc/81/04/06/974810406.db2.gz WQVJKYLCCYTMLV-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001503015771 974810410 /nfs/dbraw/zinc/81/04/10/974810410.db2.gz WQVJKYLCCYTMLV-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507326728 975417435 /nfs/dbraw/zinc/41/74/35/975417435.db2.gz WAFDTSOCWFEZCA-JKSUJKDBSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001569819766 1170006211 /nfs/dbraw/zinc/00/62/11/1170006211.db2.gz CWQUTDOYSQBOHS-QWHCGFSZSA-N 1 3 276.384 1.355 10 30 CDEEHO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001674938218 1174041161 /nfs/dbraw/zinc/04/11/61/1174041161.db2.gz KACCHJMJNQIVFC-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001674938218 1174041167 /nfs/dbraw/zinc/04/11/67/1174041167.db2.gz KACCHJMJNQIVFC-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001570504865 1170173321 /nfs/dbraw/zinc/17/33/21/1170173321.db2.gz XQFXQRAWQHQULH-UHFFFAOYSA-N 1 3 290.411 1.699 10 30 CDEEHO C=CC[N@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001570504865 1170173323 /nfs/dbraw/zinc/17/33/23/1170173323.db2.gz XQFXQRAWQHQULH-UHFFFAOYSA-N 1 3 290.411 1.699 10 30 CDEEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](N)CCCCC#N ZINC000594439245 342906482 /nfs/dbraw/zinc/90/64/82/342906482.db2.gz UMHGTAMISBUNAV-HZSPNIEDSA-N 1 3 278.400 1.093 10 30 CDEEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](N)CCCCC#N ZINC000594439245 342906484 /nfs/dbraw/zinc/90/64/84/342906484.db2.gz UMHGTAMISBUNAV-HZSPNIEDSA-N 1 3 278.400 1.093 10 30 CDEEHO CC[NH+]1CCC(CNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594440639 342906893 /nfs/dbraw/zinc/90/68/93/342906893.db2.gz HGGBJRMMBZKVTA-CQSZACIVSA-N 1 3 280.416 1.246 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000594449023 342909327 /nfs/dbraw/zinc/90/93/27/342909327.db2.gz CBVOMYZWGYJCOJ-UONOGXRCSA-N 1 3 286.379 1.314 10 30 CDEEHO Cc1cc(N[C@@H](C)C[N@H+](C)CCCN(C)C)cc(C#N)n1 ZINC000596362848 343311075 /nfs/dbraw/zinc/31/10/75/343311075.db2.gz OWJJXRXDXTULDD-AWEZNQCLSA-N 1 3 289.427 1.368 10 30 CDEEHO Cc1cc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc(C#N)n1 ZINC000596362848 343311076 /nfs/dbraw/zinc/31/10/76/343311076.db2.gz OWJJXRXDXTULDD-AWEZNQCLSA-N 1 3 289.427 1.368 10 30 CDEEHO CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000601976116 344305176 /nfs/dbraw/zinc/30/51/76/344305176.db2.gz ROFUUCRHXMKXGQ-QWHCGFSZSA-N 1 3 280.416 1.292 10 30 CDEEHO COc1cc(C[N@H+](C)C[C@@H]2CCN(C)C2)ccc1C#N ZINC000234924948 359006789 /nfs/dbraw/zinc/00/67/89/359006789.db2.gz WSRZJLAPXVXMJF-CQSZACIVSA-N 1 3 273.380 1.950 10 30 CDEEHO COc1cc(C[N@@H+](C)C[C@@H]2CCN(C)C2)ccc1C#N ZINC000234924948 359006795 /nfs/dbraw/zinc/00/67/95/359006795.db2.gz WSRZJLAPXVXMJF-CQSZACIVSA-N 1 3 273.380 1.950 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001661963807 1172471019 /nfs/dbraw/zinc/47/10/19/1172471019.db2.gz KMGTYJBCFHCPBO-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000417545928 377934302 /nfs/dbraw/zinc/93/43/02/377934302.db2.gz YQFFYXFWWIHHHH-NWDGAFQWSA-N 1 3 268.405 1.062 10 30 CDEEHO C#CC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001664893695 1172922992 /nfs/dbraw/zinc/92/29/92/1172922992.db2.gz FLJJKZWCFKWRMY-HNNXBMFYSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CC[N@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001664893695 1172922999 /nfs/dbraw/zinc/92/29/99/1172922999.db2.gz FLJJKZWCFKWRMY-HNNXBMFYSA-N 1 3 279.428 1.130 10 30 CDEEHO CN[C@](C)(C#N)CCCC[NH+]1CCC(N(C)C)CC1 ZINC000045311141 175356834 /nfs/dbraw/zinc/35/68/34/175356834.db2.gz CXPZDYQUZPNZSK-HNNXBMFYSA-N 1 3 266.433 1.684 10 30 CDEEHO CC#CC[NH2+]C/C=C/CNC(=O)CN(C)CC(C)(C)C ZINC001669040698 1173497001 /nfs/dbraw/zinc/49/70/01/1173497001.db2.gz ZXSPOWGOBBFLAT-CMDGGOBGSA-N 1 3 279.428 1.250 10 30 CDEEHO CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001671804350 1173714336 /nfs/dbraw/zinc/71/43/36/1173714336.db2.gz AHQGUUPMVIJSID-DOTOQJQBSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCN(C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267114474 1159127175 /nfs/dbraw/zinc/12/71/75/1159127175.db2.gz GJOSLJNWNQFNPS-INIZCTEOSA-N 1 3 291.439 1.418 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001750936628 1159202661 /nfs/dbraw/zinc/20/26/61/1159202661.db2.gz IOIOPVXBKUVHHA-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001750936628 1159202664 /nfs/dbraw/zinc/20/26/64/1159202664.db2.gz IOIOPVXBKUVHHA-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001268364282 1159902910 /nfs/dbraw/zinc/90/29/10/1159902910.db2.gz BZBDLWKZGSKJMD-LSDHHAIUSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001700989423 1177228169 /nfs/dbraw/zinc/22/81/69/1177228169.db2.gz YUAHHNZVIVHKHJ-CQSZACIVSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484167692 1161256860 /nfs/dbraw/zinc/25/68/60/1161256860.db2.gz GOFJPMKZVGWINJ-WBVHZDCISA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001713488120 1178602569 /nfs/dbraw/zinc/60/25/69/1178602569.db2.gz PDCHIXMJYILBBO-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO CC[C@H](C)N1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000055069299 523956320 /nfs/dbraw/zinc/95/63/20/523956320.db2.gz HFVISBOJGYHWHR-AWEZNQCLSA-N 1 3 291.464 1.974 10 30 CDEEHO CC[C@H](C)N1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000055069293 523957093 /nfs/dbraw/zinc/95/70/93/523957093.db2.gz GLHNBVPTXFYACY-AWEZNQCLSA-N 1 3 291.464 1.974 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000876510973 711733965 /nfs/dbraw/zinc/73/39/65/711733965.db2.gz ZGJDBCAKKAXGAV-VWYCJHECSA-N 1 3 259.781 1.185 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567054332 1168537304 /nfs/dbraw/zinc/53/73/04/1168537304.db2.gz PSQVLJJGCPWOIP-CZUORRHYSA-N 1 3 299.434 1.869 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001567151315 1168598312 /nfs/dbraw/zinc/59/83/12/1168598312.db2.gz OQISWPNSYWWADJ-LSDHHAIUSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001649445259 1169257649 /nfs/dbraw/zinc/25/76/49/1169257649.db2.gz JPHMCEAJHWNWIJ-HUUCEWRRSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001661788099 1172447208 /nfs/dbraw/zinc/44/72/08/1172447208.db2.gz JKETYUWILWKANY-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001668062062 1173365048 /nfs/dbraw/zinc/36/50/48/1173365048.db2.gz ZBLRLXCDJNUCRN-KBPBESRZSA-N 1 3 267.417 1.530 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001674157022 1173920573 /nfs/dbraw/zinc/92/05/73/1173920573.db2.gz YRIFCVOCMFWSAN-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001674157022 1173920577 /nfs/dbraw/zinc/92/05/77/1173920577.db2.gz YRIFCVOCMFWSAN-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001691955091 1175657755 /nfs/dbraw/zinc/65/77/55/1175657755.db2.gz IFBYQMMUKGPAFO-LSDHHAIUSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001699024065 1176047043 /nfs/dbraw/zinc/04/70/43/1176047043.db2.gz QERBMUQSMDGMDT-GDBMZVCRSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699329363 1176240677 /nfs/dbraw/zinc/24/06/77/1176240677.db2.gz UGDUNRJZOIWUAZ-SREVYHEPSA-N 1 3 291.439 1.392 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001699488131 1176440614 /nfs/dbraw/zinc/44/06/14/1176440614.db2.gz PFQZGACINZBEGY-KGLIPLIRSA-N 1 3 288.395 1.158 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001707075352 1177941453 /nfs/dbraw/zinc/94/14/53/1177941453.db2.gz AQKNPMRDPDTRFX-OKILXGFUSA-N 1 3 290.411 1.711 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001713488120 1178602565 /nfs/dbraw/zinc/60/25/65/1178602565.db2.gz PDCHIXMJYILBBO-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001715043734 1179525338 /nfs/dbraw/zinc/52/53/38/1179525338.db2.gz JYGBESQVXKLBND-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001715043734 1179525345 /nfs/dbraw/zinc/52/53/45/1179525345.db2.gz JYGBESQVXKLBND-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001715141187 1179563101 /nfs/dbraw/zinc/56/31/01/1179563101.db2.gz FOFBIIOZVZRYHQ-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CCC ZINC001715372245 1179647367 /nfs/dbraw/zinc/64/73/67/1179647367.db2.gz NVLUKTFUGMWDFP-CYBMUJFWSA-N 1 3 255.406 1.341 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CCC)CC1 ZINC001715710168 1179771475 /nfs/dbraw/zinc/77/14/75/1179771475.db2.gz WEULLCAIZRFYCZ-CQSZACIVSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001716174064 1180084268 /nfs/dbraw/zinc/08/42/68/1180084268.db2.gz KKTXRMNXLGNQRR-BBRMVZONSA-N 1 3 297.418 1.317 10 30 CDEEHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001716874340 1180449635 /nfs/dbraw/zinc/44/96/35/1180449635.db2.gz BDBNBLKZSZJKAB-OAHLLOKOSA-N 1 3 276.384 1.357 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001716975443 1180488310 /nfs/dbraw/zinc/48/83/10/1180488310.db2.gz NHIKSSPOAADQDC-KGLIPLIRSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN(C)C(C)C)CC1 ZINC001717004594 1180498105 /nfs/dbraw/zinc/49/81/05/1180498105.db2.gz RLZYJNQOGQYBPZ-WKILWMFISA-N 1 3 293.455 1.472 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001723302176 1181534925 /nfs/dbraw/zinc/53/49/25/1181534925.db2.gz RMUYUTWRMQIEKG-CABCVRRESA-N 1 3 279.428 1.531 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCC)C2CC2)CC1 ZINC001723356823 1181543141 /nfs/dbraw/zinc/54/31/41/1181543141.db2.gz UFEWEHAAONHJQB-MRXNPFEDSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CCC[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001724013885 1181629675 /nfs/dbraw/zinc/62/96/75/1181629675.db2.gz GNKNXKVIFDBFSF-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)N(C)C)C1 ZINC001725251791 1181939064 /nfs/dbraw/zinc/93/90/64/1181939064.db2.gz CZGPEKBCBOKTEG-DZGCQCFKSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001725597250 1182068459 /nfs/dbraw/zinc/06/84/59/1182068459.db2.gz RYDQYOYPKNAUPE-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001725649389 1182086982 /nfs/dbraw/zinc/08/69/82/1182086982.db2.gz GYZBRGPRGXEEHP-CABCVRRESA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001732071423 1182750916 /nfs/dbraw/zinc/75/09/16/1182750916.db2.gz MUPHFPGOWZCMCY-CQSZACIVSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001732071423 1182750922 /nfs/dbraw/zinc/75/09/22/1182750922.db2.gz MUPHFPGOWZCMCY-CQSZACIVSA-N 1 3 279.428 1.437 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001732547293 1183002506 /nfs/dbraw/zinc/00/25/06/1183002506.db2.gz MLRXPPLSPQCLRP-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733222331 1183349312 /nfs/dbraw/zinc/34/93/12/1183349312.db2.gz AGENVLXWVPWTQQ-LSDHHAIUSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001733716585 1183506310 /nfs/dbraw/zinc/50/63/10/1183506310.db2.gz XBVRBDDCABTYDC-UHFFFAOYSA-N 1 3 265.401 1.285 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001733843260 1183547044 /nfs/dbraw/zinc/54/70/44/1183547044.db2.gz AFUCYVPZEYKJPG-GOEBONIOSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001733852832 1183550641 /nfs/dbraw/zinc/55/06/41/1183550641.db2.gz WGCLUDCJDAFUOV-LSDHHAIUSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001733931141 1183574309 /nfs/dbraw/zinc/57/43/09/1183574309.db2.gz WMKCVCVUUBKKQQ-CVEARBPZSA-N 1 3 291.439 1.437 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)CN(C)CCC)C(C)(C)C ZINC001734575599 1183831195 /nfs/dbraw/zinc/83/11/95/1183831195.db2.gz SBEVPNDBSRECIN-CQSZACIVSA-N 1 3 281.444 1.472 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000876748312 712133981 /nfs/dbraw/zinc/13/39/81/712133981.db2.gz BAQPQRDLEVWXAN-QWRGUYRKSA-N 1 3 259.781 1.009 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000876729215 712377958 /nfs/dbraw/zinc/37/79/58/712377958.db2.gz HTNAXFXTPHUWHW-QJPTWQEYSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000876729215 712377960 /nfs/dbraw/zinc/37/79/60/712377960.db2.gz HTNAXFXTPHUWHW-QJPTWQEYSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000876742847 712457171 /nfs/dbraw/zinc/45/71/71/712457171.db2.gz XKZZHRAWEFWSJK-CHWSQXEVSA-N 1 3 285.819 1.543 10 30 CDEEHO C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)N1CCCC[C@H]1C ZINC000261719881 712462319 /nfs/dbraw/zinc/46/23/19/712462319.db2.gz FQRLOVNUCNHXGT-RDBSUJKOSA-N 1 3 282.432 1.333 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000876787061 712711906 /nfs/dbraw/zinc/71/19/06/712711906.db2.gz FMOSHEJQKFFZQF-STQMWFEESA-N 1 3 285.819 1.447 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000876869093 712740926 /nfs/dbraw/zinc/74/09/26/712740926.db2.gz PYMOTIJOOYYHID-AVGNSLFASA-N 1 3 285.819 1.304 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000876956908 712757056 /nfs/dbraw/zinc/75/70/56/712757056.db2.gz RJMZDXHJHRHHTP-XQQFMLRXSA-N 1 3 285.819 1.589 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000876956908 712757058 /nfs/dbraw/zinc/75/70/58/712757058.db2.gz RJMZDXHJHRHHTP-XQQFMLRXSA-N 1 3 285.819 1.589 10 30 CDEEHO C=CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)C ZINC000820069474 712794661 /nfs/dbraw/zinc/79/46/61/712794661.db2.gz YAIKGUNNODOPGD-HNNXBMFYSA-N 1 3 298.475 1.864 10 30 CDEEHO C=CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)C ZINC000820069474 712794663 /nfs/dbraw/zinc/79/46/63/712794663.db2.gz YAIKGUNNODOPGD-HNNXBMFYSA-N 1 3 298.475 1.864 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567400936 1168734616 /nfs/dbraw/zinc/73/46/16/1168734616.db2.gz WQECTKIPSGYJJA-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567400936 1168734622 /nfs/dbraw/zinc/73/46/22/1168734622.db2.gz WQECTKIPSGYJJA-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001266751971 895972917 /nfs/dbraw/zinc/97/29/17/895972917.db2.gz MAVYKXDKLOTKQI-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001266751971 895972926 /nfs/dbraw/zinc/97/29/26/895972926.db2.gz MAVYKXDKLOTKQI-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001267173641 897004070 /nfs/dbraw/zinc/00/40/70/897004070.db2.gz BIHRXMBRSSNYRE-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001267173641 897004081 /nfs/dbraw/zinc/00/40/81/897004081.db2.gz BIHRXMBRSSNYRE-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001268137761 901384396 /nfs/dbraw/zinc/38/43/96/901384396.db2.gz LCWDHOLTDABXRS-UKRRQHHQSA-N 1 3 290.411 1.745 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC001268426046 902041225 /nfs/dbraw/zinc/04/12/25/902041225.db2.gz IYYDIQUBCOLILA-HNNXBMFYSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001269117212 903434039 /nfs/dbraw/zinc/43/40/39/903434039.db2.gz YAMFUAGWDSRBJL-LSDHHAIUSA-N 1 3 279.428 1.080 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)N(C)C)CCO1 ZINC001484695737 916058886 /nfs/dbraw/zinc/05/88/86/916058886.db2.gz HSTJLHOXNRPNQZ-LSDHHAIUSA-N 1 3 297.443 1.110 10 30 CDEEHO C=CCCC[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001485311548 916793560 /nfs/dbraw/zinc/79/35/60/916793560.db2.gz BLXQEXRBLZIAKN-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001485311548 916793574 /nfs/dbraw/zinc/79/35/74/916793574.db2.gz BLXQEXRBLZIAKN-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001485922148 920578154 /nfs/dbraw/zinc/57/81/54/920578154.db2.gz 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C#CCNCCN(CC)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001568768713 1169468151 /nfs/dbraw/zinc/46/81/51/1169468151.db2.gz CZPMWDCQGIGGNA-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001282240005 942682895 /nfs/dbraw/zinc/68/28/95/942682895.db2.gz AYJIFBZMUMKSLG-CHWSQXEVSA-N 1 3 255.406 1.386 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001282717790 942744316 /nfs/dbraw/zinc/74/43/16/942744316.db2.gz USSSXSKJRICPKG-ZFWWWQNUSA-N 1 3 281.444 1.585 10 30 CDEEHO CC#CC[NH2+][C@H](CCNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001283456435 942900413 /nfs/dbraw/zinc/90/04/13/942900413.db2.gz DEFOWZUXWWKDAM-CABCVRRESA-N 1 3 281.444 1.470 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001284025996 943052228 /nfs/dbraw/zinc/05/22/28/943052228.db2.gz NTIGUFRRJSMLKL-OLZOCXBDSA-N 1 3 253.390 1.093 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C ZINC001284600129 943220567 /nfs/dbraw/zinc/22/05/67/943220567.db2.gz 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972123774 /nfs/dbraw/zinc/12/37/74/972123774.db2.gz IRUXBLWLFGJEMR-CYBMUJFWSA-N 1 3 290.411 1.745 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317346583 957432204 /nfs/dbraw/zinc/43/22/04/957432204.db2.gz XFNZCIQCVZSSOX-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCN1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001332198092 957475053 /nfs/dbraw/zinc/47/50/53/957475053.db2.gz HYADBFLMNIYNLL-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001332198088 957475421 /nfs/dbraw/zinc/47/54/21/957475421.db2.gz HYADBFLMNIYNLL-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001317709485 957644250 /nfs/dbraw/zinc/64/42/50/957644250.db2.gz PFGCMMCKEHPRMJ-OAHLLOKOSA-N 1 3 281.444 1.567 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001317709485 957644255 /nfs/dbraw/zinc/64/42/55/957644255.db2.gz PFGCMMCKEHPRMJ-OAHLLOKOSA-N 1 3 281.444 1.567 10 30 CDEEHO C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001317810869 957673762 /nfs/dbraw/zinc/67/37/62/957673762.db2.gz GRDWQTCAMVWOSW-JKSUJKDBSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001317810869 957673775 /nfs/dbraw/zinc/67/37/75/957673775.db2.gz GRDWQTCAMVWOSW-JKSUJKDBSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317840261 957691088 /nfs/dbraw/zinc/69/10/88/957691088.db2.gz PEWHDKFHGCYUJF-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317840261 957691091 /nfs/dbraw/zinc/69/10/91/957691091.db2.gz PEWHDKFHGCYUJF-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1CCC)C(C)(C)C ZINC001332806592 957850229 /nfs/dbraw/zinc/85/02/29/957850229.db2.gz LQAQIZSHFOJOJP-LSDHHAIUSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001318830504 958276334 /nfs/dbraw/zinc/27/63/34/958276334.db2.gz GYXHWOMPLGEJAG-JKSUJKDBSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(C)CN1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494910072 972334637 /nfs/dbraw/zinc/33/46/37/972334637.db2.gz MGRIOGGHLPDCKI-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001319550506 958625209 /nfs/dbraw/zinc/62/52/09/958625209.db2.gz GEKNJBDWEURILD-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001319831421 958741684 /nfs/dbraw/zinc/74/16/84/958741684.db2.gz JQBXTFOQADDCRM-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001320453983 959181695 /nfs/dbraw/zinc/18/16/95/959181695.db2.gz KADHANZWDMKAIZ-STQMWFEESA-N 1 3 289.851 1.810 10 30 CDEEHO C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001320694586 959334854 /nfs/dbraw/zinc/33/48/54/959334854.db2.gz QXHVDRBDKLRETE-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CCC[NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001495428583 972497282 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C=CCN1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569642161 1169949133 /nfs/dbraw/zinc/94/91/33/1169949133.db2.gz YGSAPXJWMUWYJX-GDBMZVCRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001569642161 1169949140 /nfs/dbraw/zinc/94/91/40/1169949140.db2.gz YGSAPXJWMUWYJX-GDBMZVCRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001497329897 973289159 /nfs/dbraw/zinc/28/91/59/973289159.db2.gz FIUFKMNYNKTTDE-GJZGRUSLSA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CC[NH2+]CCN(CC)C(=O)CN(C)CC(C)(C)C ZINC001497456175 973355082 /nfs/dbraw/zinc/35/50/82/973355082.db2.gz VSTDVUSIJICLMP-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001498367341 973863331 /nfs/dbraw/zinc/86/33/31/973863331.db2.gz VQEGAAVFSNOFED-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001498367341 973863337 /nfs/dbraw/zinc/86/33/37/973863337.db2.gz 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C=CCC[N@H+](C)[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001570736372 1170262238 /nfs/dbraw/zinc/26/22/38/1170262238.db2.gz WNWXXPIYUBPDNM-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001570754196 1170273449 /nfs/dbraw/zinc/27/34/49/1170273449.db2.gz YODMFAZGQGZWQO-ZDUSSCGKSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001570754196 1170273452 /nfs/dbraw/zinc/27/34/52/1170273452.db2.gz YODMFAZGQGZWQO-ZDUSSCGKSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001571512365 1170458873 /nfs/dbraw/zinc/45/88/73/1170458873.db2.gz FOEHHVIBYDPXDP-BZUAXINKSA-N 1 3 293.455 1.729 10 30 CDEEHO C#CCN1CCC2(C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001656398929 1171819860 /nfs/dbraw/zinc/81/98/60/1171819860.db2.gz RKLHYKQHQLXTJN-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CC[C@H]1CCN(CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000625700683 342194035 /nfs/dbraw/zinc/19/40/35/342194035.db2.gz KVYQLGZWCYPYRI-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000594439452 342906736 /nfs/dbraw/zinc/90/67/36/342906736.db2.gz QPSPVXYWIPGDII-ZDUSSCGKSA-N 1 3 260.341 1.495 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000594439497 342906801 /nfs/dbraw/zinc/90/68/01/342906801.db2.gz RHXUWYQWWLSATP-HNNXBMFYSA-N 1 3 288.395 1.385 10 30 CDEEHO C[NH2+]Cc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594426875 342904608 /nfs/dbraw/zinc/90/46/08/342904608.db2.gz RIOOQCBFJMUCCP-ZDUSSCGKSA-N 1 3 274.368 1.756 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCC(C)C)CC1 ZINC001662423450 1172547055 /nfs/dbraw/zinc/54/70/55/1172547055.db2.gz DADUGNKXXKWBPE-HNNXBMFYSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CCCCC)CC1 ZINC001663340087 1172675603 /nfs/dbraw/zinc/67/56/03/1172675603.db2.gz YNMQFRLBVOLXJU-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CCCCC)CC1 ZINC001663340087 1172675610 /nfs/dbraw/zinc/67/56/10/1172675610.db2.gz YNMQFRLBVOLXJU-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO CN1CCCC[C@@H]1CC[N@H+](C)CCOCCC#N ZINC000339006126 391240275 /nfs/dbraw/zinc/24/02/75/391240275.db2.gz UIZRNTSDZYLGKO-CQSZACIVSA-N 1 3 253.390 1.723 10 30 CDEEHO CN1CCCC[C@@H]1CC[N@@H+](C)CCOCCC#N ZINC000339006126 391240278 /nfs/dbraw/zinc/24/02/78/391240278.db2.gz UIZRNTSDZYLGKO-CQSZACIVSA-N 1 3 253.390 1.723 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001667701756 1173312345 /nfs/dbraw/zinc/31/23/45/1173312345.db2.gz PNIHBZAJFHVYKM-CVEARBPZSA-N 1 3 293.455 1.826 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001667701756 1173312350 /nfs/dbraw/zinc/31/23/50/1173312350.db2.gz PNIHBZAJFHVYKM-CVEARBPZSA-N 1 3 293.455 1.826 10 30 CDEEHO CC#CC[NH2+]C/C=C\CNC(=O)CN(C)CC(C)(C)C ZINC001669040699 1173497633 /nfs/dbraw/zinc/49/76/33/1173497633.db2.gz ZXSPOWGOBBFLAT-HJWRWDBZSA-N 1 3 279.428 1.250 10 30 CDEEHO CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672531404 1173781435 /nfs/dbraw/zinc/78/14/35/1173781435.db2.gz UQWSKVOLXQADNL-CABCVRRESA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001690787383 1175571868 /nfs/dbraw/zinc/57/18/68/1175571868.db2.gz HUPMPJCWVNJJMR-LSDHHAIUSA-N 1 3 279.428 1.367 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1C[C@H](C)O[C@@H](C)C1 ZINC000262240339 330002483 /nfs/dbraw/zinc/00/24/83/330002483.db2.gz XXSNFDMLNJEDTP-KCQAQPDRSA-N 1 3 296.459 1.579 10 30 CDEEHO N#CCCC[C@@H](N)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580433013 330132108 /nfs/dbraw/zinc/13/21/08/330132108.db2.gz ANDNTKZWLRZMPS-HUUCEWRRSA-N 1 3 286.379 1.092 10 30 CDEEHO CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001690881558 1175598494 /nfs/dbraw/zinc/59/84/94/1175598494.db2.gz WTCWETLZMQBZBA-CABCVRRESA-N 1 3 279.428 1.369 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001698861594 1175967788 /nfs/dbraw/zinc/96/77/88/1175967788.db2.gz QQRCOYXHUGQKHF-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC001700920840 1160103033 /nfs/dbraw/zinc/10/30/33/1160103033.db2.gz BSEHDDGJHARWLT-HUUCEWRRSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001691533865 1160595631 /nfs/dbraw/zinc/59/56/31/1160595631.db2.gz JJSSJAJUNHAFRH-RBSFLKMASA-N 1 3 281.444 1.633 10 30 CDEEHO C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001691622880 1160721316 /nfs/dbraw/zinc/72/13/16/1160721316.db2.gz CPUQKNJCKTZJMY-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO CCN1CCN(CCOc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049608707 521683944 /nfs/dbraw/zinc/68/39/44/521683944.db2.gz ZOHRVZZVHLLOML-UHFFFAOYSA-N 1 3 287.407 1.013 10 30 CDEEHO NCC#Cc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049334057 527152172 /nfs/dbraw/zinc/15/21/72/527152172.db2.gz UPHNFBVHGYZVMU-UHFFFAOYSA-N 1 3 258.365 1.862 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001688888770 1175054183 /nfs/dbraw/zinc/05/41/83/1175054183.db2.gz NRTBIUPFOJLNHU-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001688888770 1175054184 /nfs/dbraw/zinc/05/41/84/1175054184.db2.gz NRTBIUPFOJLNHU-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001690317326 1175435299 /nfs/dbraw/zinc/43/52/99/1175435299.db2.gz GBFXZXZXAKHHGN-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001717205314 1158473430 /nfs/dbraw/zinc/47/34/30/1158473430.db2.gz DPXRBKJXUBVSLT-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001717205314 1158473433 /nfs/dbraw/zinc/47/34/33/1158473433.db2.gz DPXRBKJXUBVSLT-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCC[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001266911206 1158981750 /nfs/dbraw/zinc/98/17/50/1158981750.db2.gz IANUWYNTFWDAOP-UHFFFAOYSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCCC[NH+](CC)CC ZINC000876724955 1165901016 /nfs/dbraw/zinc/90/10/16/1165901016.db2.gz KOEJQLVRXFIXPB-GFCCVEGCSA-N 1 3 275.824 1.695 10 30 CDEEHO CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001567178058 1168607540 /nfs/dbraw/zinc/60/75/40/1168607540.db2.gz JKVAAVAVRIAFAU-GJZGRUSLSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001569319998 1169762197 /nfs/dbraw/zinc/76/21/97/1169762197.db2.gz JQCIBJDBWSLHQS-AWEZNQCLSA-N 1 3 279.428 1.082 10 30 CDEEHO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001569689749 1169966548 /nfs/dbraw/zinc/96/65/48/1169966548.db2.gz GSJBLFHBEYAJPD-UKRRQHHQSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001569915634 1170036345 /nfs/dbraw/zinc/03/63/45/1170036345.db2.gz SYQMXLYGUOAUCN-HOTGVXAUSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001571488709 1170452128 /nfs/dbraw/zinc/45/21/28/1170452128.db2.gz GYXYSGDRHHZICP-JKSUJKDBSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@H](C)C1 ZINC001692086178 1175674651 /nfs/dbraw/zinc/67/46/51/1175674651.db2.gz OZLPQESBKZHQGI-PMPSAXMXSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001698899116 1175980641 /nfs/dbraw/zinc/98/06/41/1175980641.db2.gz OZUSBXGCIFHMKW-HOCLYGCPSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001699098443 1176092063 /nfs/dbraw/zinc/09/20/63/1176092063.db2.gz DJBMTUKJSVVOEX-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001699736988 1176596940 /nfs/dbraw/zinc/59/69/40/1176596940.db2.gz KIZAHNOCKHXJQT-OLZOCXBDSA-N 1 3 276.384 1.497 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001699931549 1176686691 /nfs/dbraw/zinc/68/66/91/1176686691.db2.gz DMGCSFSAZGJZOG-UONOGXRCSA-N 1 3 279.428 1.483 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001700132309 1176763634 /nfs/dbraw/zinc/76/36/34/1176763634.db2.gz XLSOPOBFZGCYPL-UHFFFAOYSA-N 1 3 277.412 1.123 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001700187141 1176787968 /nfs/dbraw/zinc/78/79/68/1176787968.db2.gz JTHWAJFQFPJITA-HOTGVXAUSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001700187141 1176787974 /nfs/dbraw/zinc/78/79/74/1176787974.db2.gz JTHWAJFQFPJITA-HOTGVXAUSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001700477332 1176967368 /nfs/dbraw/zinc/96/73/68/1176967368.db2.gz QNUZWOQGTIRMQL-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001700477332 1176967376 /nfs/dbraw/zinc/96/73/76/1176967376.db2.gz QNUZWOQGTIRMQL-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001700698527 1177079919 /nfs/dbraw/zinc/07/99/19/1177079919.db2.gz SVHKWMVAGGXQMB-UHFFFAOYSA-N 1 3 279.428 1.273 10 30 CDEEHO CC#CC[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001700698527 1177079926 /nfs/dbraw/zinc/07/99/26/1177079926.db2.gz SVHKWMVAGGXQMB-UHFFFAOYSA-N 1 3 279.428 1.273 10 30 CDEEHO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001700769048 1177123471 /nfs/dbraw/zinc/12/34/71/1177123471.db2.gz VNLNHYKIXQLSGR-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713551697 1178641556 /nfs/dbraw/zinc/64/15/56/1178641556.db2.gz XAQFEGOWOIZJMV-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001713755654 1178739775 /nfs/dbraw/zinc/73/97/75/1178739775.db2.gz FUIFMDSMUBMXMO-CVEARBPZSA-N 1 3 293.455 1.685 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001713755654 1178739778 /nfs/dbraw/zinc/73/97/78/1178739778.db2.gz FUIFMDSMUBMXMO-CVEARBPZSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001713867042 1178802913 /nfs/dbraw/zinc/80/29/13/1178802913.db2.gz ZWKFSUROCBKCPM-OAHLLOKOSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001714090709 1178968282 /nfs/dbraw/zinc/96/82/82/1178968282.db2.gz AEJOYROKMWTEIZ-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001714384787 1179116344 /nfs/dbraw/zinc/11/63/44/1179116344.db2.gz IRSMQTWFCDSHEH-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001716849945 1180439601 /nfs/dbraw/zinc/43/96/01/1180439601.db2.gz HWKVEXPVORPLNW-UKRRQHHQSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001716849945 1180439606 /nfs/dbraw/zinc/43/96/06/1180439606.db2.gz HWKVEXPVORPLNW-UKRRQHHQSA-N 1 3 265.401 1.095 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001716974202 1180486654 /nfs/dbraw/zinc/48/66/54/1180486654.db2.gz XGEAEKZMTJISEW-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001717640916 1180770119 /nfs/dbraw/zinc/77/01/19/1180770119.db2.gz OTWJQPKGSMFXCS-SHTZXODSSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001717887728 1180913568 /nfs/dbraw/zinc/91/35/68/1180913568.db2.gz TWGFAZLYULPQDM-GJZGRUSLSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001717887729 1180914451 /nfs/dbraw/zinc/91/44/51/1180914451.db2.gz TWGFAZLYULPQDM-HUUCEWRRSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCNC1(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001723544127 1181585073 /nfs/dbraw/zinc/58/50/73/1181585073.db2.gz KTSONDSLOMVFOX-UHFFFAOYSA-N 1 3 299.418 1.276 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001725004072 1181821788 /nfs/dbraw/zinc/82/17/88/1181821788.db2.gz VFKHPHQHEFGKHV-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001725004072 1181821796 /nfs/dbraw/zinc/82/17/96/1181821796.db2.gz VFKHPHQHEFGKHV-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001731703806 1182524033 /nfs/dbraw/zinc/52/40/33/1182524033.db2.gz QSYQQFBWHWVUFZ-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCN1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001732164657 1182826211 /nfs/dbraw/zinc/82/62/11/1182826211.db2.gz GFACBFBJSCMLOX-HUUCEWRRSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCN1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001732164657 1182826214 /nfs/dbraw/zinc/82/62/14/1182826214.db2.gz GFACBFBJSCMLOX-HUUCEWRRSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001691739956 1166852818 /nfs/dbraw/zinc/85/28/18/1166852818.db2.gz CWLQOARNPVOPLT-QLFBSQMISA-N 1 3 281.444 1.633 10 30 CDEEHO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001566742926 1168406163 /nfs/dbraw/zinc/40/61/63/1168406163.db2.gz GJPVZBRZXBCMKO-CVEARBPZSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001566742926 1168406167 /nfs/dbraw/zinc/40/61/67/1168406167.db2.gz GJPVZBRZXBCMKO-CVEARBPZSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CC[N@H+](CC)CCNC(=O)C1(N(C)C)CCC1 ZINC001567334962 1168688361 /nfs/dbraw/zinc/68/83/61/1168688361.db2.gz ILOOAWMYFFBZMO-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[N@@H+](CC)CCNC(=O)C1(N(C)C)CCC1 ZINC001567334962 1168688365 /nfs/dbraw/zinc/68/83/65/1168688365.db2.gz ILOOAWMYFFBZMO-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001267217059 897179940 /nfs/dbraw/zinc/17/99/40/897179940.db2.gz WWFBLSRGHYGNCP-GDBMZVCRSA-N 1 3 295.471 1.975 10 30 CDEEHO CCN(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)CC(C)C ZINC000066243268 898254560 /nfs/dbraw/zinc/25/45/60/898254560.db2.gz NNLUNJQBBVAJRV-LSDHHAIUSA-N 1 3 298.475 1.826 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001481505208 900956576 /nfs/dbraw/zinc/95/65/76/900956576.db2.gz RAVQGHAYCHTWRK-OAHLLOKOSA-N 1 3 281.444 1.685 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001481505208 900956581 /nfs/dbraw/zinc/95/65/81/900956581.db2.gz RAVQGHAYCHTWRK-OAHLLOKOSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001268734410 903056652 /nfs/dbraw/zinc/05/66/52/903056652.db2.gz WDXMAWRNUODLPV-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001268734410 903056667 /nfs/dbraw/zinc/05/66/67/903056667.db2.gz WDXMAWRNUODLPV-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001280094210 904183609 /nfs/dbraw/zinc/18/36/09/904183609.db2.gz JXOHJNIEZXYJSI-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1CCC)C(C)C ZINC001271846424 906891327 /nfs/dbraw/zinc/89/13/27/906891327.db2.gz PXTCJRVFJDKAHJ-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001271853762 906900734 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C=CC[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484526669 915849124 /nfs/dbraw/zinc/84/91/24/915849124.db2.gz YUESJLNRJGQICT-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001484909973 916262885 /nfs/dbraw/zinc/26/28/85/916262885.db2.gz QZMVPYXHLHHELD-UONOGXRCSA-N 1 3 267.417 1.339 10 30 CDEEHO C#C[C@H](NC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000827566710 936599967 /nfs/dbraw/zinc/59/99/67/936599967.db2.gz ZIBGEUUENPWMEF-INIZCTEOSA-N 1 3 264.413 1.877 10 30 CDEEHO C=CCC[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001491360427 936898150 /nfs/dbraw/zinc/89/81/50/936898150.db2.gz IAEQJILJUBKLPF-QQFBHYJXSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCC[NH2+]C1CCC(NC(=O)CN(C)CCC)CC1 ZINC001491369754 936898596 /nfs/dbraw/zinc/89/85/96/936898596.db2.gz PUOALPQATMIEFI-UHFFFAOYSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCN1CCC(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852866466 927900586 /nfs/dbraw/zinc/90/05/86/927900586.db2.gz HUGVCRJRLYRJBO-UHFFFAOYSA-N 1 3 263.385 1.063 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C=CC[N@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001284929479 943290259 /nfs/dbraw/zinc/29/02/59/943290259.db2.gz YDTYZWWYXGMEDT-UHFFFAOYSA-N 1 3 277.412 1.405 10 30 CDEEHO C=CC[N@@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001284929479 943290265 /nfs/dbraw/zinc/29/02/65/943290265.db2.gz YDTYZWWYXGMEDT-UHFFFAOYSA-N 1 3 277.412 1.405 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001264010151 944063172 /nfs/dbraw/zinc/06/31/72/944063172.db2.gz OABRMGIEQRIXQP-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480666069 971830982 /nfs/dbraw/zinc/83/09/82/971830982.db2.gz RJAPAUDFVUZVBW-JKSUJKDBSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001491684448 955356886 /nfs/dbraw/zinc/35/68/86/955356886.db2.gz VPVLQFXNDGURMF-HUUCEWRRSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001491684448 955356898 /nfs/dbraw/zinc/35/68/98/955356898.db2.gz VPVLQFXNDGURMF-HUUCEWRRSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001494082792 972171692 /nfs/dbraw/zinc/17/16/92/972171692.db2.gz JAILJOPEKZXGAO-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001494082792 972171696 /nfs/dbraw/zinc/17/16/96/972171696.db2.gz JAILJOPEKZXGAO-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001317023812 956929409 /nfs/dbraw/zinc/92/94/09/956929409.db2.gz FQTIVEMKZWTXQL-JKSUJKDBSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCC[C@H](C)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001317448111 957480899 /nfs/dbraw/zinc/48/08/99/957480899.db2.gz FJIOQDOOGBSFQN-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001317448111 957480900 /nfs/dbraw/zinc/48/09/00/957480900.db2.gz FJIOQDOOGBSFQN-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[N@@H+](CCNC(=O)[C@@H]1CCCCN1CC)C1CC1 ZINC001317561570 957556643 /nfs/dbraw/zinc/55/66/43/957556643.db2.gz MXMCMIDAZLUZQM-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@H+](CCNC(=O)[C@@H]1CCCCN1CC)C1CC1 ZINC001317561570 957556647 /nfs/dbraw/zinc/55/66/47/957556647.db2.gz MXMCMIDAZLUZQM-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317862633 957699543 /nfs/dbraw/zinc/69/95/43/957699543.db2.gz INNIMGKTSIFDJO-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317862633 957699550 /nfs/dbraw/zinc/69/95/50/957699550.db2.gz INNIMGKTSIFDJO-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001318666246 958221031 /nfs/dbraw/zinc/22/10/31/958221031.db2.gz JGXAUWSMKCPQNQ-UHFFFAOYSA-N 1 3 276.384 1.465 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001318802911 958269564 /nfs/dbraw/zinc/26/95/64/958269564.db2.gz CSIAHESGJIBBSI-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[N@H+]1CC=C(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001333445402 958340091 /nfs/dbraw/zinc/34/00/91/958340091.db2.gz VGFCDNWXPIIIBE-UHFFFAOYSA-N 1 3 288.395 1.585 10 30 CDEEHO C=CCC[N@@H+]1CC=C(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001333445402 958340106 /nfs/dbraw/zinc/34/01/06/958340106.db2.gz VGFCDNWXPIIIBE-UHFFFAOYSA-N 1 3 288.395 1.585 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001319788125 958725550 /nfs/dbraw/zinc/72/55/50/958725550.db2.gz LSWJKTSMEIWOFT-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001319926544 958793311 /nfs/dbraw/zinc/79/33/11/958793311.db2.gz CGGXNOBDNSKZAY-OAHLLOKOSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCOc1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000848546181 969166116 /nfs/dbraw/zinc/16/61/16/969166116.db2.gz UOHBRJXVPGBJKX-UHFFFAOYSA-N 1 3 258.365 1.884 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000594438819 342906188 /nfs/dbraw/zinc/90/61/88/342906188.db2.gz MBBLTEUTCSOOIQ-KKUMJFAQSA-N 1 3 292.427 1.388 10 30 CDEEHO C[C@@H](CCNC[C@@H](O)CC1(C#N)CC1)[NH+]1CCCCC1 ZINC000600733651 342245930 /nfs/dbraw/zinc/24/59/30/342245930.db2.gz FKQLMAZBLVXOSJ-GJZGRUSLSA-N 1 3 279.428 1.895 10 30 CDEEHO C[C@@H](CC[NH2+]C[C@@H](O)CC1(C#N)CC1)N1CCCCC1 ZINC000600733651 342245931 /nfs/dbraw/zinc/24/59/31/342245931.db2.gz FKQLMAZBLVXOSJ-GJZGRUSLSA-N 1 3 279.428 1.895 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000594425489 342904373 /nfs/dbraw/zinc/90/43/73/342904373.db2.gz KKAQFIIUXGQYIX-FRRDWIJNSA-N 1 3 266.389 1.031 10 30 CDEEHO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(N)CCOCC1)CC2 ZINC000600709733 349876225 /nfs/dbraw/zinc/87/62/25/349876225.db2.gz QDULVLCQPZVIIV-OAHLLOKOSA-N 1 3 271.364 1.643 10 30 CDEEHO CN(CC#CCN1CCCC1)C(=O)CCCCC[NH3+] ZINC000027857637 346052983 /nfs/dbraw/zinc/05/29/83/346052983.db2.gz CKVPQNZUOBHAGZ-UHFFFAOYSA-N 1 3 265.401 1.063 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001660476563 1172219428 /nfs/dbraw/zinc/21/94/28/1172219428.db2.gz WBPHUFCRDJTBGH-JKSUJKDBSA-N 1 3 293.455 1.709 10 30 CDEEHO CCN(CC#CC[N@H+](CC)CC(C)(C)O)CC(C)(C)O ZINC000351473692 361691844 /nfs/dbraw/zinc/69/18/44/361691844.db2.gz VXSIAYATMJJZMX-UHFFFAOYSA-N 1 3 284.444 1.175 10 30 CDEEHO CCN(CC#CC[N@@H+](CC)CC(C)(C)O)CC(C)(C)O ZINC000351473692 361691846 /nfs/dbraw/zinc/69/18/46/361691846.db2.gz VXSIAYATMJJZMX-UHFFFAOYSA-N 1 3 284.444 1.175 10 30 CDEEHO C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662861545 1172606017 /nfs/dbraw/zinc/60/60/17/1172606017.db2.gz BJBVGIACICYWAN-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662861545 1172606020 /nfs/dbraw/zinc/60/60/20/1172606020.db2.gz BJBVGIACICYWAN-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(C#N)o1 ZINC000289410582 197333274 /nfs/dbraw/zinc/33/32/74/197333274.db2.gz HSABNNYEYBZJML-UHFFFAOYSA-N 1 3 290.411 1.609 10 30 CDEEHO C#CCCN(C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001663313168 1172670182 /nfs/dbraw/zinc/67/01/82/1172670182.db2.gz MCPFZEWPPDSUJL-UHFFFAOYSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[C@]1(C(=O)N(C)C[C@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000662684170 413305693 /nfs/dbraw/zinc/30/56/93/413305693.db2.gz BCFXYVUTWOQGBK-GOEBONIOSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCC[NH2+]1 ZINC000662792842 413508611 /nfs/dbraw/zinc/50/86/11/413508611.db2.gz HWGNHVXWOFRFNL-IJEWVQPXSA-N 1 3 277.412 1.380 10 30 CDEEHO C=CC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCC[NH2+]1 ZINC000662792845 413509426 /nfs/dbraw/zinc/50/94/26/413509426.db2.gz HWGNHVXWOFRFNL-YCPHGPKFSA-N 1 3 277.412 1.380 10 30 CDEEHO CN(Cc1ccc(F)c(C#CCN)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190484 176067064 /nfs/dbraw/zinc/06/70/64/176067064.db2.gz QRMQYBRRIRPGFV-OAHLLOKOSA-N 1 3 289.398 1.519 10 30 CDEEHO CN(Cc1ccc(F)c(C#CCN)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190484 176067065 /nfs/dbraw/zinc/06/70/65/176067065.db2.gz QRMQYBRRIRPGFV-OAHLLOKOSA-N 1 3 289.398 1.519 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001667494123 1173275097 /nfs/dbraw/zinc/27/50/97/1173275097.db2.gz RXCHJQDOIPTUMS-OLZOCXBDSA-N 1 3 255.406 1.243 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001667584513 1173294827 /nfs/dbraw/zinc/29/48/27/1173294827.db2.gz BLCVGNAYARVBEF-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001667584513 1173294831 /nfs/dbraw/zinc/29/48/31/1173294831.db2.gz BLCVGNAYARVBEF-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCNC(N[C@H]1CCN(C2CCCC2)C1)=[NH+]CC ZINC000262813111 330033429 /nfs/dbraw/zinc/03/34/29/330033429.db2.gz RLOTUTUUUFLFNR-ZDUSSCGKSA-N 1 3 264.417 1.744 10 30 CDEEHO C=CC[C@H](CO)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423030641 330166149 /nfs/dbraw/zinc/16/61/49/330166149.db2.gz CBRVLOQOEATTMO-UKPHBRMFSA-N 1 3 288.391 1.769 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)N(C)C ZINC001691823729 1160162695 /nfs/dbraw/zinc/16/26/95/1160162695.db2.gz DEOZENIAGHMENL-OWCLPIDISA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)[C@H](CO)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000677480851 482683501 /nfs/dbraw/zinc/68/35/01/482683501.db2.gz WAOBULQTWDDLKD-INIZCTEOSA-N 1 3 282.428 1.500 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001725111868 1159106705 /nfs/dbraw/zinc/10/67/05/1159106705.db2.gz RYAMYOKQMOQJPE-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001725111868 1159106707 /nfs/dbraw/zinc/10/67/07/1159106707.db2.gz RYAMYOKQMOQJPE-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001691482089 1159376719 /nfs/dbraw/zinc/37/67/19/1159376719.db2.gz ZKRVOTSRVZAZCD-TUVASFSCSA-N 1 3 279.428 1.530 10 30 CDEEHO C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001732366259 1159786888 /nfs/dbraw/zinc/78/68/88/1159786888.db2.gz VWLTTXKTTPSLBB-LSDHHAIUSA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000876716686 1165899096 /nfs/dbraw/zinc/89/90/96/1165899096.db2.gz KCTLQJRGGRXEDH-RYUDHWBXSA-N 1 3 275.824 1.549 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876726921 1165903571 /nfs/dbraw/zinc/90/35/71/1165903571.db2.gz BSMSUURITGOWSS-CMPLNLGQSA-N 1 3 271.792 1.057 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876726921 1165903577 /nfs/dbraw/zinc/90/35/77/1165903577.db2.gz BSMSUURITGOWSS-CMPLNLGQSA-N 1 3 271.792 1.057 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+](CC)CCC ZINC000876777994 1165914362 /nfs/dbraw/zinc/91/43/62/1165914362.db2.gz WEOCJQLCLSIYBW-LLVKDONJSA-N 1 3 261.797 1.304 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+](CC)CCC ZINC000876777994 1165914368 /nfs/dbraw/zinc/91/43/68/1165914368.db2.gz WEOCJQLCLSIYBW-LLVKDONJSA-N 1 3 261.797 1.304 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000876794452 1165917561 /nfs/dbraw/zinc/91/75/61/1165917561.db2.gz WDRYYIQQSBQMHK-CMPLNLGQSA-N 1 3 294.786 1.306 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000876950618 1165947057 /nfs/dbraw/zinc/94/70/57/1165947057.db2.gz QXNHMACVHINTFC-LLVKDONJSA-N 1 3 259.781 1.044 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000876854402 1165927603 /nfs/dbraw/zinc/92/76/03/1165927603.db2.gz SHQLAOFWCVHPJU-QWHCGFSZSA-N 1 3 285.819 1.304 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000876944805 1165945811 /nfs/dbraw/zinc/94/58/11/1165945811.db2.gz UFFVRNVKXDNQBD-GFCCVEGCSA-N 1 3 275.824 1.550 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC[N@H+](C)CC(C)C ZINC000876944805 1165945817 /nfs/dbraw/zinc/94/58/17/1165945817.db2.gz UFFVRNVKXDNQBD-GFCCVEGCSA-N 1 3 275.824 1.550 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000876967322 1165950708 /nfs/dbraw/zinc/95/07/08/1165950708.db2.gz FBUVVPIEUZGDBS-OCCSQVGLSA-N 1 3 299.846 1.980 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000876967322 1165950715 /nfs/dbraw/zinc/95/07/15/1165950715.db2.gz FBUVVPIEUZGDBS-OCCSQVGLSA-N 1 3 299.846 1.980 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001628376368 1166067897 /nfs/dbraw/zinc/06/78/97/1166067897.db2.gz VJWYGFBNRGXEGQ-CYBMUJFWSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001569327023 1169767589 /nfs/dbraw/zinc/76/75/89/1169767589.db2.gz FIMHDSBNPXXPJP-GJZGRUSLSA-N 1 3 281.444 1.633 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001569821833 1170006315 /nfs/dbraw/zinc/00/63/15/1170006315.db2.gz SXENSCDFGOTAIW-LSDHHAIUSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001570177713 1170102962 /nfs/dbraw/zinc/10/29/62/1170102962.db2.gz QQCWCFBHNMABCQ-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001570177713 1170102968 /nfs/dbraw/zinc/10/29/68/1170102968.db2.gz QQCWCFBHNMABCQ-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001650379055 1171002292 /nfs/dbraw/zinc/00/22/92/1171002292.db2.gz KMWIGLRUSAXETD-WCQYABFASA-N 1 3 293.798 1.936 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCC1 ZINC001673230499 1173837368 /nfs/dbraw/zinc/83/73/68/1173837368.db2.gz TVHGWZOKTTWUHK-AWEZNQCLSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001690755489 1175565620 /nfs/dbraw/zinc/56/56/20/1175565620.db2.gz HKPPJHPXGNYTLO-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CC2CC2)CC1 ZINC001698619206 1175874418 /nfs/dbraw/zinc/87/44/18/1175874418.db2.gz NNPJZKRXBQKEOE-INIZCTEOSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001698860444 1175967378 /nfs/dbraw/zinc/96/73/78/1175967378.db2.gz OMFCEUCXAYTSHN-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001699433509 1176394480 /nfs/dbraw/zinc/39/44/80/1176394480.db2.gz SPKCOTWEGGPPNR-AWEZNQCLSA-N 1 3 287.407 1.479 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001699773773 1176615245 /nfs/dbraw/zinc/61/52/45/1176615245.db2.gz FJTDLINJCNEJFT-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001699773773 1176615248 /nfs/dbraw/zinc/61/52/48/1176615248.db2.gz FJTDLINJCNEJFT-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001700088276 1176744239 /nfs/dbraw/zinc/74/42/39/1176744239.db2.gz RXDIJANGBIJKKH-CVEARBPZSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CC[NH2+]C[C@@]1(NC(=O)CN(C)CCC)CCCC[C@@H]1C ZINC001714189014 1179008476 /nfs/dbraw/zinc/00/84/76/1179008476.db2.gz ZOXOYMXMLZNHDT-RDJZCZTQSA-N 1 3 293.455 1.616 10 30 CDEEHO C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001715386132 1179652385 /nfs/dbraw/zinc/65/23/85/1179652385.db2.gz MEDKJEZYOVRJPC-GOEBONIOSA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001715576992 1179722514 /nfs/dbraw/zinc/72/25/14/1179722514.db2.gz NOKCYNUKRNKUDS-CABCVRRESA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C ZINC001715722480 1179778962 /nfs/dbraw/zinc/77/89/62/1179778962.db2.gz HTTORISSWUQXHA-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CCC[NH2+]C/C=C\CNC(=O)CN(C)CC(C)(C)C ZINC001716344153 1180162867 /nfs/dbraw/zinc/16/28/67/1180162867.db2.gz QQXANBTXGYYSGW-HJWRWDBZSA-N 1 3 279.428 1.250 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001717811174 1180870050 /nfs/dbraw/zinc/87/00/50/1180870050.db2.gz BVKHURSRSAYIOO-KGLIPLIRSA-N 1 3 277.412 1.073 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1CC ZINC001723388709 1181546308 /nfs/dbraw/zinc/54/63/08/1181546308.db2.gz GIXMRYVIYVXHMC-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCC)CC1 ZINC001725129915 1181876178 /nfs/dbraw/zinc/87/61/78/1181876178.db2.gz PNVDHYSUGHCXFU-GJZGRUSLSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001725353564 1181970112 /nfs/dbraw/zinc/97/01/12/1181970112.db2.gz PIXHLNWSLBUGMC-JYJNAYRXSA-N 1 3 293.455 1.920 10 30 CDEEHO CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001725451175 1182005700 /nfs/dbraw/zinc/00/57/00/1182005700.db2.gz CWVCBHQETQIZDC-HOTGVXAUSA-N 1 3 293.455 1.759 10 30 CDEEHO C=CCN1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001725828840 1182143060 /nfs/dbraw/zinc/14/30/60/1182143060.db2.gz QJFCTUQEJFTELO-UHFFFAOYSA-N 1 3 279.428 1.653 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732436839 1182964785 /nfs/dbraw/zinc/96/47/85/1182964785.db2.gz JQYVFFBAUSKSJS-CZUORRHYSA-N 1 3 299.434 1.821 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC(C)C)CC1 ZINC001733067862 1183274717 /nfs/dbraw/zinc/27/47/17/1183274717.db2.gz RSTWQCVCPQGRKS-OAHLLOKOSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CC(C)C)CC1 ZINC001733067862 1183274721 /nfs/dbraw/zinc/27/47/21/1183274721.db2.gz RSTWQCVCPQGRKS-OAHLLOKOSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001733690422 1183498170 /nfs/dbraw/zinc/49/81/70/1183498170.db2.gz QAGJGYMKKYYEGW-BZUAXINKSA-N 1 3 293.455 1.779 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001733930938 1183571469 /nfs/dbraw/zinc/57/14/69/1183571469.db2.gz ZULNISCQQPOJSI-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001733930938 1183571472 /nfs/dbraw/zinc/57/14/72/1183571472.db2.gz ZULNISCQQPOJSI-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001567281571 1168657135 /nfs/dbraw/zinc/65/71/35/1168657135.db2.gz QAJHZHMZSLFYRV-CYBMUJFWSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001567281571 1168657140 /nfs/dbraw/zinc/65/71/40/1168657140.db2.gz QAJHZHMZSLFYRV-CYBMUJFWSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001266879586 896270737 /nfs/dbraw/zinc/27/07/37/896270737.db2.gz ALHBCEJMZPNNBX-MRXNPFEDSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001481488173 900903029 /nfs/dbraw/zinc/90/30/29/900903029.db2.gz PCGVSZYOJLTGAO-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001481488173 900903036 /nfs/dbraw/zinc/90/30/36/900903036.db2.gz PCGVSZYOJLTGAO-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268241088 901650441 /nfs/dbraw/zinc/65/04/41/901650441.db2.gz VKSCJWRZKCRQNF-UHFFFAOYSA-N 1 3 279.428 1.439 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001268689435 902970728 /nfs/dbraw/zinc/97/07/28/902970728.db2.gz XIIFFTANLZNVCS-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001269331081 903700272 /nfs/dbraw/zinc/70/02/72/903700272.db2.gz 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/nfs/dbraw/zinc/03/93/08/911039308.db2.gz SRGASQDIUIQLKX-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001483384905 911039327 /nfs/dbraw/zinc/03/93/27/911039327.db2.gz SRGASQDIUIQLKX-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001483774405 914924710 /nfs/dbraw/zinc/92/47/10/914924710.db2.gz UYANDGCKOWTFQU-CQSZACIVSA-N 1 3 279.428 1.674 10 30 CDEEHO C#CCN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001484988312 916351751 /nfs/dbraw/zinc/35/17/51/916351751.db2.gz SXVBZMDVYSCJOV-JKSUJKDBSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]C(C)C)CC1 ZINC001485230243 916683533 /nfs/dbraw/zinc/68/35/33/916683533.db2.gz RMXHJBYHMLLKIK-KGLIPLIRSA-N 1 3 279.428 1.223 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001486399255 920962744 /nfs/dbraw/zinc/96/27/44/920962744.db2.gz RRCFHMIVHUKYEN-AWEZNQCLSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001491116842 936860112 /nfs/dbraw/zinc/86/01/12/936860112.db2.gz BTIDPKLMQNFPNQ-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001491116842 936860113 /nfs/dbraw/zinc/86/01/13/936860113.db2.gz BTIDPKLMQNFPNQ-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001273796007 925919686 /nfs/dbraw/zinc/91/96/86/925919686.db2.gz SPZXPGRNPDSCHE-HNNXBMFYSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001568463326 1169299604 /nfs/dbraw/zinc/29/96/04/1169299604.db2.gz ZEMBXVHMOUADTI-AWEZNQCLSA-N 1 3 281.444 1.328 10 30 CDEEHO O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000852898530 927913503 /nfs/dbraw/zinc/91/35/03/927913503.db2.gz RXQZTEYLNZGVNU-JKSUJKDBSA-N 1 3 289.423 1.123 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001275114976 931668705 /nfs/dbraw/zinc/66/87/05/931668705.db2.gz MMUXXERNTZRSJX-OAHLLOKOSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001275114976 931668707 /nfs/dbraw/zinc/66/87/07/931668707.db2.gz MMUXXERNTZRSJX-OAHLLOKOSA-N 1 3 291.439 1.417 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001493006302 931712874 /nfs/dbraw/zinc/71/28/74/931712874.db2.gz FPQAYSYPYPNCDM-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001493006302 931712877 /nfs/dbraw/zinc/71/28/77/931712877.db2.gz FPQAYSYPYPNCDM-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)CN1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001276468903 939767542 /nfs/dbraw/zinc/76/75/42/939767542.db2.gz OCDZTHHNUZQRMC-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001281928083 942631505 /nfs/dbraw/zinc/63/15/05/942631505.db2.gz IXCQPEUHDYMRCU-LSDHHAIUSA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001281928083 942631509 /nfs/dbraw/zinc/63/15/09/942631509.db2.gz IXCQPEUHDYMRCU-LSDHHAIUSA-N 1 3 277.412 1.027 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001282140354 942668190 /nfs/dbraw/zinc/66/81/90/942668190.db2.gz ILYACMIYLITMHJ-QWHCGFSZSA-N 1 3 267.417 1.530 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001282456000 942716499 /nfs/dbraw/zinc/71/64/99/942716499.db2.gz VMBYQYYQKGSLEH-ZIAGYGMSSA-N 1 3 269.433 1.585 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001282456000 942716502 /nfs/dbraw/zinc/71/65/02/942716502.db2.gz VMBYQYYQKGSLEH-ZIAGYGMSSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001284248139 943131625 /nfs/dbraw/zinc/13/16/25/943131625.db2.gz SXPRBGQEDFMYRX-KGLIPLIRSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001265358864 944358867 /nfs/dbraw/zinc/35/88/67/944358867.db2.gz RRCYOVHARKZJHZ-AWEZNQCLSA-N 1 3 265.401 1.141 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001278326403 946191162 /nfs/dbraw/zinc/19/11/62/946191162.db2.gz QEKQOWJUUAUWEU-UONOGXRCSA-N 1 3 267.417 1.482 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001569172830 1169701992 /nfs/dbraw/zinc/70/19/92/1169701992.db2.gz ACLBSOISXBIEPF-JKSUJKDBSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001492383526 955846341 /nfs/dbraw/zinc/84/63/41/955846341.db2.gz DFZYUEXZXJYUJU-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001492383526 955846357 /nfs/dbraw/zinc/84/63/57/955846357.db2.gz DFZYUEXZXJYUJU-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001331470923 957089115 /nfs/dbraw/zinc/08/91/15/957089115.db2.gz VEOWTRBGHVEUQU-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317160856 957313597 /nfs/dbraw/zinc/31/35/97/957313597.db2.gz CDXITKRFCFFAOV-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001317202074 957338434 /nfs/dbraw/zinc/33/84/34/957338434.db2.gz DUVWTUZVXQGEEM-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001317202074 957338443 /nfs/dbraw/zinc/33/84/43/957338443.db2.gz DUVWTUZVXQGEEM-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317204730 957338993 /nfs/dbraw/zinc/33/89/93/957338993.db2.gz CYRGYQYCKIKBBR-HOTGVXAUSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001317800073 957669068 /nfs/dbraw/zinc/66/90/68/957669068.db2.gz DYSPLMQEXROOJH-CVEARBPZSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001317800073 957669073 /nfs/dbraw/zinc/66/90/73/957669073.db2.gz DYSPLMQEXROOJH-CVEARBPZSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001317870026 957704108 /nfs/dbraw/zinc/70/41/08/957704108.db2.gz LMAWLTTUESIWGC-INIZCTEOSA-N 1 3 293.455 1.376 10 30 CDEEHO C#CC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001317870026 957704116 /nfs/dbraw/zinc/70/41/16/957704116.db2.gz LMAWLTTUESIWGC-INIZCTEOSA-N 1 3 293.455 1.376 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001319711846 958696249 /nfs/dbraw/zinc/69/62/49/958696249.db2.gz IBHLNVMBBAKIKT-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001321418247 959776265 /nfs/dbraw/zinc/77/62/65/959776265.db2.gz YDDBBJAMQHEWID-WLBISTCBSA-N 1 3 277.412 1.145 10 30 CDEEHO C=C(C[NH+](C)C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001543420915 967297860 /nfs/dbraw/zinc/29/78/60/967297860.db2.gz HBNVLQHICZNOKJ-UHFFFAOYSA-N 1 3 281.444 1.685 10 30 CDEEHO C[C@@H](CNC(=O)CC[NH+](C)C)NCc1ccc(C#N)s1 ZINC001480530854 968115988 /nfs/dbraw/zinc/11/59/88/968115988.db2.gz PBKTZVCWEQMRJE-NSHDSACASA-N 1 3 294.424 1.166 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001569565916 1169926693 /nfs/dbraw/zinc/92/66/93/1169926693.db2.gz HCCJBKOKYUYFME-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CC[NH2+][C@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001502747401 974774938 /nfs/dbraw/zinc/77/49/38/974774938.db2.gz BNDLTOKJRZZJSX-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001507022639 975297559 /nfs/dbraw/zinc/29/75/59/975297559.db2.gz DAAGNDWCVOQEGC-HNNXBMFYSA-N 1 3 290.411 1.745 10 30 CDEEHO C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001507150677 975356401 /nfs/dbraw/zinc/35/64/01/975356401.db2.gz ZRNOJGXONMVEFW-CHWSQXEVSA-N 1 3 255.406 1.339 10 30 CDEEHO C#CCCN1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001675318397 1174101480 /nfs/dbraw/zinc/10/14/80/1174101480.db2.gz ZWMCZOPVFBKXNB-GDBMZVCRSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCCN1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001675318397 1174101484 /nfs/dbraw/zinc/10/14/84/1174101484.db2.gz ZWMCZOPVFBKXNB-GDBMZVCRSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001676667345 1174253614 /nfs/dbraw/zinc/25/36/14/1174253614.db2.gz DEIOPZDBYBMSAL-HUUCEWRRSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001571512364 1170458395 /nfs/dbraw/zinc/45/83/95/1170458395.db2.gz FOEHHVIBYDPXDP-ARFHVFGLSA-N 1 3 293.455 1.729 10 30 CDEEHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)CCCCC#N ZINC000594428017 342897505 /nfs/dbraw/zinc/89/75/05/342897505.db2.gz YWXRSJCDAUIYOZ-VXGBXAGGSA-N 1 3 254.378 1.031 10 30 CDEEHO N#CCCCC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000594437748 342905905 /nfs/dbraw/zinc/90/59/05/342905905.db2.gz DYJQCZRBWKWSRL-ZDUSSCGKSA-N 1 3 287.367 1.077 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000594438258 342906285 /nfs/dbraw/zinc/90/62/85/342906285.db2.gz SAXDOTPCWFQYPJ-NRXISQOPSA-N 1 3 292.427 1.531 10 30 CDEEHO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](N)CCCCC#N ZINC000594441865 342907686 /nfs/dbraw/zinc/90/76/86/342907686.db2.gz XLPSIKODBBTZBY-KGLIPLIRSA-N 1 3 280.416 1.388 10 30 CDEEHO CC(C)[NH+]1CCC(NC[C@H](O)CC2(C#N)CC2)CC1 ZINC000600716541 342244263 /nfs/dbraw/zinc/24/42/63/342244263.db2.gz YPTYNJYDFUXAFP-CQSZACIVSA-N 1 3 265.401 1.504 10 30 CDEEHO N#CC1(C[C@H](O)CNC2CC[NH+](C3CCC3)CC2)CC1 ZINC000600735034 342246096 /nfs/dbraw/zinc/24/60/96/342246096.db2.gz HNJOXAJCADGKSH-HNNXBMFYSA-N 1 3 277.412 1.648 10 30 CDEEHO C[NH+](C)CCOCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594943037 342979593 /nfs/dbraw/zinc/97/95/93/342979593.db2.gz CCRNKXOYMIHSFS-UHFFFAOYSA-N 1 3 287.407 1.910 10 30 CDEEHO C[NH2+]CCOCCN(C)Cc1ccc(C)c(C#N)c1 ZINC000600729627 349877005 /nfs/dbraw/zinc/87/70/05/349877005.db2.gz WGPHMSWPMWSYPW-UHFFFAOYSA-N 1 3 261.369 1.535 10 30 CDEEHO N#Cc1ccc(C2(NCCOCC[NH3+])CCOCC2)cc1 ZINC000600740941 349878529 /nfs/dbraw/zinc/87/85/29/349878529.db2.gz LMHWSTDXQZYNMJ-UHFFFAOYSA-N 1 3 289.379 1.129 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000626970316 367107848 /nfs/dbraw/zinc/10/78/48/367107848.db2.gz KMKDRLNAPAHUOJ-LSDHHAIUSA-N 1 3 294.443 1.467 10 30 CDEEHO C=CC[C@]1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000662691266 413322647 /nfs/dbraw/zinc/32/26/47/413322647.db2.gz IPTGKPWKVBQEGP-NVXWUHKLSA-N 1 3 291.439 1.772 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672208948 1173752836 /nfs/dbraw/zinc/75/28/36/1173752836.db2.gz JZBMPGSMZVKHLD-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO C[NH+]=C(NC1CCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262811286 330033319 /nfs/dbraw/zinc/03/33/19/330033319.db2.gz VDTDCCSBVILYTF-AWEZNQCLSA-N 1 3 264.417 1.675 10 30 CDEEHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001672531461 1159738899 /nfs/dbraw/zinc/73/88/99/1159738899.db2.gz VDEKAFLQXVYEFE-GJZGRUSLSA-N 1 3 291.439 1.580 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001270066337 1160087055 /nfs/dbraw/zinc/08/70/55/1160087055.db2.gz ISYSMFZOMLWXQB-OAHLLOKOSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001671385049 1160699216 /nfs/dbraw/zinc/69/92/16/1160699216.db2.gz QYZJWGOCNRGDAK-AWEZNQCLSA-N 1 3 265.401 1.239 10 30 CDEEHO C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001691678166 1161559207 /nfs/dbraw/zinc/55/92/07/1161559207.db2.gz LMJOQZANYCEXLI-GDBMZVCRSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CC[NH2+]CCN(CC)C(=O)CN1CCCC1 ZINC001732810936 1183133011 /nfs/dbraw/zinc/13/30/11/1183133011.db2.gz MYHKDAXGYAUXJY-UHFFFAOYSA-N 1 3 267.417 1.487 10 30 CDEEHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001689271424 1175133359 /nfs/dbraw/zinc/13/33/59/1175133359.db2.gz JGGXVWHYOKVBHJ-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151192 630623789 /nfs/dbraw/zinc/62/37/89/630623789.db2.gz HMMGFROILZMXNK-QWRGUYRKSA-N 1 3 273.808 1.351 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000876913279 677938250 /nfs/dbraw/zinc/93/82/50/677938250.db2.gz PRBIXFLNPISDBX-GHMZBOCLSA-N 1 3 259.781 1.090 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877339239 678027185 /nfs/dbraw/zinc/02/71/85/678027185.db2.gz WBVGIFKXJNFABS-KBPBESRZSA-N 1 3 293.798 1.287 10 30 CDEEHO C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000708855979 678508631 /nfs/dbraw/zinc/50/86/31/678508631.db2.gz WQMUBSCEMZBVSP-DFBGVHRSSA-N 1 3 259.353 1.118 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877354409 678708705 /nfs/dbraw/zinc/70/87/05/678708705.db2.gz GWLOYMFSSZCZBM-HLTSFMKQSA-N 1 3 299.724 1.052 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000876883136 678855734 /nfs/dbraw/zinc/85/57/34/678855734.db2.gz ACVFOXSKCBRBPX-GRYCIOLGSA-N 1 3 271.792 1.151 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000876883136 678855736 /nfs/dbraw/zinc/85/57/36/678855736.db2.gz ACVFOXSKCBRBPX-GRYCIOLGSA-N 1 3 271.792 1.151 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000876859869 678908939 /nfs/dbraw/zinc/90/89/39/678908939.db2.gz MRUIQSNKMGREFZ-MCIONIFRSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000876851788 679496292 /nfs/dbraw/zinc/49/62/92/679496292.db2.gz OCMNHFSUIHJBBN-IJLUTSLNSA-N 1 3 273.808 1.338 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@@H]2NCCc3ccccc32)CCC[NH2+]1 ZINC000852879592 679528394 /nfs/dbraw/zinc/52/83/94/679528394.db2.gz FROZUGLQCOWOOB-WMZOPIPTSA-N 1 3 299.418 1.688 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001670469712 1158613068 /nfs/dbraw/zinc/61/30/68/1158613068.db2.gz KVWIMVHESIQFPV-LSDHHAIUSA-N 1 3 279.428 1.530 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001691114778 1158916159 /nfs/dbraw/zinc/91/61/59/1158916159.db2.gz VYJMKKMYSDDKBZ-OAGGEKHMSA-N 1 3 293.455 1.779 10 30 CDEEHO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001267593585 1159496285 /nfs/dbraw/zinc/49/62/85/1159496285.db2.gz NXMZGVKXHFHPRK-OAHLLOKOSA-N 1 3 279.428 1.132 10 30 CDEEHO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001267593585 1159496287 /nfs/dbraw/zinc/49/62/87/1159496287.db2.gz NXMZGVKXHFHPRK-OAHLLOKOSA-N 1 3 279.428 1.132 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001482102232 1159981312 /nfs/dbraw/zinc/98/13/12/1159981312.db2.gz RJYPKORGJUWEEZ-CABCVRRESA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCC[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001483493233 1160930272 /nfs/dbraw/zinc/93/02/72/1160930272.db2.gz VOHCPVIRCZLROS-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000876768300 1165911344 /nfs/dbraw/zinc/91/13/44/1165911344.db2.gz HDQFOZCBXIOIHD-UTUOFQBUSA-N 1 3 273.808 1.445 10 30 CDEEHO CC#CC[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001566987696 1168489233 /nfs/dbraw/zinc/48/92/33/1168489233.db2.gz KOBBZJLZHRSQPB-QQFBHYJXSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001570659062 1170225070 /nfs/dbraw/zinc/22/50/70/1170225070.db2.gz XATDGTGXRGTVPP-GPANFISMSA-N 1 3 291.439 1.463 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001666162288 1173115334 /nfs/dbraw/zinc/11/53/34/1173115334.db2.gz LRKDBQOMIHKRDJ-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001698597381 1175863883 /nfs/dbraw/zinc/86/38/83/1175863883.db2.gz QCSGPIGHLPGMGV-GJZGRUSLSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001699485081 1176440873 /nfs/dbraw/zinc/44/08/73/1176440873.db2.gz CDTABGPIIKUFNS-HUUCEWRRSA-N 1 3 281.444 1.779 10 30 CDEEHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)CCC)C1 ZINC001699877264 1176665326 /nfs/dbraw/zinc/66/53/26/1176665326.db2.gz UNYZYYDPCMLIAC-INIZCTEOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)CCC)C1 ZINC001699877264 1176665330 /nfs/dbraw/zinc/66/53/30/1176665330.db2.gz UNYZYYDPCMLIAC-INIZCTEOSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001700105055 1176748285 /nfs/dbraw/zinc/74/82/85/1176748285.db2.gz KREOUMBDYWBGJW-JYJNAYRXSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCN1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001700109536 1176749238 /nfs/dbraw/zinc/74/92/38/1176749238.db2.gz OMALWTJUGVAKRL-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CCN1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001700109536 1176749245 /nfs/dbraw/zinc/74/92/45/1176749245.db2.gz OMALWTJUGVAKRL-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001713221671 1178440669 /nfs/dbraw/zinc/44/06/69/1178440669.db2.gz NJNLDYQNPRXSBW-AWEZNQCLSA-N 1 3 290.411 1.665 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001713221671 1178440673 /nfs/dbraw/zinc/44/06/73/1178440673.db2.gz NJNLDYQNPRXSBW-AWEZNQCLSA-N 1 3 290.411 1.665 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001714080123 1178964162 /nfs/dbraw/zinc/96/41/62/1178964162.db2.gz SVACSBPGPKURCS-CVEARBPZSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001714448959 1179145024 /nfs/dbraw/zinc/14/50/24/1179145024.db2.gz NYDYRIDAVPFKIO-OAHLLOKOSA-N 1 3 290.411 1.841 10 30 CDEEHO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001714448959 1179145027 /nfs/dbraw/zinc/14/50/27/1179145027.db2.gz NYDYRIDAVPFKIO-OAHLLOKOSA-N 1 3 290.411 1.841 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)CCC)CCCC1 ZINC001714509834 1179176785 /nfs/dbraw/zinc/17/67/85/1179176785.db2.gz OMBMCZGFAHABPN-UHFFFAOYSA-N 1 3 281.444 1.923 10 30 CDEEHO C#CCCN1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001714623150 1179273926 /nfs/dbraw/zinc/27/39/26/1179273926.db2.gz VXOAIHDGIYPJSD-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001715154090 1179565803 /nfs/dbraw/zinc/56/58/03/1179565803.db2.gz KDOITBUDCQXDKJ-CQSZACIVSA-N 1 3 290.411 1.747 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715528336 1179701448 /nfs/dbraw/zinc/70/14/48/1179701448.db2.gz BBZQNGXYDYRWQA-GJZGRUSLSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001715528336 1179701450 /nfs/dbraw/zinc/70/14/50/1179701450.db2.gz BBZQNGXYDYRWQA-GJZGRUSLSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001716520325 1180263936 /nfs/dbraw/zinc/26/39/36/1180263936.db2.gz KUVNNLMHZIBHIO-HUUCEWRRSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001716623101 1180311977 /nfs/dbraw/zinc/31/19/77/1180311977.db2.gz BODBGRCOPKFVDH-GDBMZVCRSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCNC1(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001716701812 1180379421 /nfs/dbraw/zinc/37/94/21/1180379421.db2.gz CWPSWHPOFTUBKQ-UHFFFAOYSA-N 1 3 277.412 1.124 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001717499789 1180713497 /nfs/dbraw/zinc/71/34/97/1180713497.db2.gz LQFNJNUIDWSEBK-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CCN1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001717843184 1180888109 /nfs/dbraw/zinc/88/81/09/1180888109.db2.gz WHOPXAFJRGGZHG-WBVHZDCISA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001717895290 1180918026 /nfs/dbraw/zinc/91/80/26/1180918026.db2.gz ISVCJSDPGHGLBF-OAHLLOKOSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCC[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001731773444 1182561836 /nfs/dbraw/zinc/56/18/36/1182561836.db2.gz XOBYEVMSZZSKBV-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCC[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001731773444 1182561842 /nfs/dbraw/zinc/56/18/42/1182561842.db2.gz XOBYEVMSZZSKBV-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731791869 1182582929 /nfs/dbraw/zinc/58/29/29/1182582929.db2.gz MOSBNKUBBWFITK-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[N@H+](CCNC(=O)[C@@H]1CCCCN1CC)C1CC1 ZINC001731883115 1182650742 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C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001733027333 1183245856 /nfs/dbraw/zinc/24/58/56/1183245856.db2.gz LNYSQJKEUBQAIW-UONOGXRCSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCN(C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001266304226 894304862 /nfs/dbraw/zinc/30/48/62/894304862.db2.gz NUTZKVLHUUYZDE-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCN(C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266304226 894304875 /nfs/dbraw/zinc/30/48/75/894304875.db2.gz NUTZKVLHUUYZDE-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCCN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266361310 894564972 /nfs/dbraw/zinc/56/49/72/894564972.db2.gz KTLONAPZUSIRHK-HNNXBMFYSA-N 1 3 277.412 1.076 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001481071246 898727883 /nfs/dbraw/zinc/72/78/83/898727883.db2.gz OWUKMAPYJYONGC-OAHLLOKOSA-N 1 3 279.428 1.629 10 30 CDEEHO C#CC[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001267918071 899971353 /nfs/dbraw/zinc/97/13/53/899971353.db2.gz ZQMZXFONXNCKEB-MRXNPFEDSA-N 1 3 293.455 1.424 10 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253.390 1.047 10 30 CDEEHO C#CC[NH2+][C@@H](CC)CNC(=O)c1cccc(CN(C)C)c1 ZINC001269516348 903887395 /nfs/dbraw/zinc/88/73/95/903887395.db2.gz NRTDJYIMAXDALY-INIZCTEOSA-N 1 3 287.407 1.479 10 30 CDEEHO C#CCNCc1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001270070862 904324294 /nfs/dbraw/zinc/32/42/94/904324294.db2.gz FVRZBPJOOBTPGJ-UHFFFAOYSA-N 1 3 299.418 1.367 10 30 CDEEHO C=CCN1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001270992149 905527890 /nfs/dbraw/zinc/52/78/90/905527890.db2.gz SFHRHYWYKGJTRN-OAHLLOKOSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001483420473 911093705 /nfs/dbraw/zinc/09/37/05/911093705.db2.gz LNPHZWYCJINZCU-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001484124472 915449105 /nfs/dbraw/zinc/44/91/05/915449105.db2.gz YZSRFCRDKCMZEJ-INIZCTEOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716649 916073054 /nfs/dbraw/zinc/07/30/54/916073054.db2.gz OYIMVFYIGQMTQH-CQSZACIVSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716649 916073069 /nfs/dbraw/zinc/07/30/69/916073069.db2.gz OYIMVFYIGQMTQH-CQSZACIVSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN(C)CCC)CC1 ZINC001484725447 916087088 /nfs/dbraw/zinc/08/70/88/916087088.db2.gz ADHGBMVWNZTQOD-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)CCC)CC1 ZINC001484725447 916087108 /nfs/dbraw/zinc/08/71/08/916087108.db2.gz ADHGBMVWNZTQOD-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001568206307 1169178374 /nfs/dbraw/zinc/17/83/74/1169178374.db2.gz UKXWIRJCQCCCIQ-CHWSQXEVSA-N 1 3 255.406 1.101 10 30 CDEEHO C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001485827202 918944508 /nfs/dbraw/zinc/94/45/08/918944508.db2.gz ONYZRTJBQCIZNE-GDBMZVCRSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCN1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001486183861 920789778 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C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001275177899 931691019 /nfs/dbraw/zinc/69/10/19/931691019.db2.gz XUVGAYFMGCAPMR-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001277092298 941942021 /nfs/dbraw/zinc/94/20/21/941942021.db2.gz AHTOQEWQUIIISW-BZUAXINKSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001280485040 942452690 /nfs/dbraw/zinc/45/26/90/942452690.db2.gz AIJKHLGSAOHGOV-UHFFFAOYSA-N 1 3 279.428 1.675 10 30 CDEEHO C#CCC[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001281500476 942585695 /nfs/dbraw/zinc/58/56/95/942585695.db2.gz XFBKTHRDAWXMRU-UHFFFAOYSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001282271244 942685212 /nfs/dbraw/zinc/68/52/12/942685212.db2.gz RKZXDXULEPVSFN-UHFFFAOYSA-N 1 3 288.395 1.335 10 30 CDEEHO CC#CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001284291846 943138516 /nfs/dbraw/zinc/13/85/16/943138516.db2.gz MEPVWJMQLSUDQE-CQSZACIVSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CCC ZINC001264006597 944060750 /nfs/dbraw/zinc/06/07/50/944060750.db2.gz CZVGPORUKQZMCZ-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001265359170 944359029 /nfs/dbraw/zinc/35/90/29/944359029.db2.gz YSFBZQDVFFYVCH-HUUCEWRRSA-N 1 3 279.428 1.531 10 30 CDEEHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001265708310 944475883 /nfs/dbraw/zinc/47/58/83/944475883.db2.gz MKXKGUPVTFMWOE-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001265708310 944475888 /nfs/dbraw/zinc/47/58/88/944475888.db2.gz MKXKGUPVTFMWOE-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001266149543 944714984 /nfs/dbraw/zinc/71/49/84/944714984.db2.gz YNJDLKPABWBTRK-LBPRGKRZSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CCCC[NH2+]C1CC(N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001279315618 944794146 /nfs/dbraw/zinc/79/41/46/944794146.db2.gz NAKQCKBPNZHPMD-NRXISQOPSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001480223322 971636197 /nfs/dbraw/zinc/63/61/97/971636197.db2.gz ACFCARKQTJRAGV-MCIONIFRSA-N 1 3 265.401 1.141 10 30 CDEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001278572715 950215688 /nfs/dbraw/zinc/21/56/88/950215688.db2.gz QKKMQQMLGJRRJL-ZBFHGGJFSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCNCCN(Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001325700346 954035174 /nfs/dbraw/zinc/03/51/74/954035174.db2.gz DGJAYSKPALSWHX-UHFFFAOYSA-N 1 3 287.407 1.190 10 30 CDEEHO C=CC[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001494206066 972199167 /nfs/dbraw/zinc/19/91/67/972199167.db2.gz VBCRTIRNNCUTBO-UHFFFAOYSA-N 1 3 276.384 1.309 10 30 CDEEHO C=CC[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001494206066 972199171 /nfs/dbraw/zinc/19/91/71/972199171.db2.gz VBCRTIRNNCUTBO-UHFFFAOYSA-N 1 3 276.384 1.309 10 30 CDEEHO C=CC[NH2+][C@H](CCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001331213900 956892906 /nfs/dbraw/zinc/89/29/06/956892906.db2.gz GYQOEJXFLASUEX-HUUCEWRRSA-N 1 3 281.444 1.635 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316956150 957154697 /nfs/dbraw/zinc/15/46/97/957154697.db2.gz NKWDLDSNFAQKNX-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001316956150 957154703 /nfs/dbraw/zinc/15/47/03/957154703.db2.gz NKWDLDSNFAQKNX-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001317000491 957194956 /nfs/dbraw/zinc/19/49/56/957194956.db2.gz GOZCMMXPBXETSV-HUUCEWRRSA-N 1 3 293.455 1.729 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001317023809 957209384 /nfs/dbraw/zinc/20/93/84/957209384.db2.gz FQTIVEMKZWTXQL-CVEARBPZSA-N 1 3 293.455 1.920 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001317075791 957249154 /nfs/dbraw/zinc/24/91/54/957249154.db2.gz 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/nfs/dbraw/zinc/56/49/80/959564980.db2.gz LQVQEYSVIVSBQP-LQYUOIDQSA-N 1 3 277.412 1.145 10 30 CDEEHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1CC ZINC001323166573 960492054 /nfs/dbraw/zinc/49/20/54/960492054.db2.gz DEYDESXTTUUBGR-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001344400644 964297745 /nfs/dbraw/zinc/29/77/45/964297745.db2.gz SULZGHMYLXWNRD-INIZCTEOSA-N 1 3 287.407 1.632 10 30 CDEEHO CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001569683989 1169965851 /nfs/dbraw/zinc/96/58/51/1169965851.db2.gz VQACYJQXZDBDRG-RDJZCZTQSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C ZINC001507960952 975571681 /nfs/dbraw/zinc/57/16/81/975571681.db2.gz FLQMPSHHTPJPNM-GJZGRUSLSA-N 1 3 295.471 1.716 10 30 CDEEHO C#CCC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001508146381 975621852 /nfs/dbraw/zinc/62/18/52/975621852.db2.gz ZKWFQPUKZWFBGT-NRXISQOPSA-N 1 3 279.428 1.175 10 30 CDEEHO 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C=C(Cl)C[C@H](N)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000877192653 679761629 /nfs/dbraw/zinc/76/16/29/679761629.db2.gz RKXFJCUCHLXWPV-ZDUSSCGKSA-N 1 3 299.846 1.791 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000876884674 679802305 /nfs/dbraw/zinc/80/23/05/679802305.db2.gz RNHHCHOSBJMAFE-WXRRBKDZSA-N 1 3 285.819 1.589 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@@H]2NCCc3ccccc32)CCC[NH2+]1 ZINC000852879589 679833151 /nfs/dbraw/zinc/83/31/51/679833151.db2.gz FROZUGLQCOWOOB-FUHWJXTLSA-N 1 3 299.418 1.688 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000876973314 679834010 /nfs/dbraw/zinc/83/40/10/679834010.db2.gz DCXJPJSZWSAVKP-MNOVXSKESA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000876973314 679834012 /nfs/dbraw/zinc/83/40/12/679834012.db2.gz DCXJPJSZWSAVKP-MNOVXSKESA-N 1 3 259.781 1.057 10 30 CDEEHO C#C[C@H](NC1CC[NH+](CCC)CC1)C1CCOCC1 ZINC000827564753 679849821 /nfs/dbraw/zinc/84/98/21/679849821.db2.gz FZEKNVOBZWHNQY-INIZCTEOSA-N 1 3 264.413 1.879 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000876526135 682821498 /nfs/dbraw/zinc/82/14/98/682821498.db2.gz SUAILNUHLAAHJB-MNOVXSKESA-N 1 3 259.781 1.057 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001691126717 1158923354 /nfs/dbraw/zinc/92/33/54/1158923354.db2.gz WALQXLOCVSAPBT-FPCVCCKLSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001691043679 1158689313 /nfs/dbraw/zinc/68/93/13/1158689313.db2.gz VIEMMCJSVWHYBA-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001691043679 1158689315 /nfs/dbraw/zinc/68/93/15/1158689315.db2.gz VIEMMCJSVWHYBA-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001672531462 1159739305 /nfs/dbraw/zinc/73/93/05/1159739305.db2.gz VDEKAFLQXVYEFE-HUUCEWRRSA-N 1 3 291.439 1.580 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C 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C#CCC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001661077658 1172331450 /nfs/dbraw/zinc/33/14/50/1172331450.db2.gz FXUXJNGKSJOJPS-OAHLLOKOSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001661554595 1172405105 /nfs/dbraw/zinc/40/51/05/1172405105.db2.gz DAVSPIBIVSQAEW-JKSUJKDBSA-N 1 3 293.455 1.826 10 30 CDEEHO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001661554595 1172405108 /nfs/dbraw/zinc/40/51/08/1172405108.db2.gz DAVSPIBIVSQAEW-JKSUJKDBSA-N 1 3 293.455 1.826 10 30 CDEEHO C#CC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001689366191 1175154221 /nfs/dbraw/zinc/15/42/21/1175154221.db2.gz YPWBPAMHYHEDDY-OAHLLOKOSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001689366191 1175154225 /nfs/dbraw/zinc/15/42/25/1175154225.db2.gz YPWBPAMHYHEDDY-OAHLLOKOSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001698766635 1175924063 /nfs/dbraw/zinc/92/40/63/1175924063.db2.gz PBGQMAPLWNJLLX-CVEARBPZSA-N 1 3 293.455 1.616 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001698797231 1175938199 /nfs/dbraw/zinc/93/81/99/1175938199.db2.gz LWQNSZGVRWTZKT-UHFFFAOYSA-N 1 3 291.439 1.513 10 30 CDEEHO C#CCC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001701024484 1177243797 /nfs/dbraw/zinc/24/37/97/1177243797.db2.gz RWKLTJGCBSLSOY-UHFFFAOYSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]CC2CC2)CC1 ZINC001716377914 1180173522 /nfs/dbraw/zinc/17/35/22/1180173522.db2.gz CKJINSKHLKGYCL-ARJAWSKDSA-N 1 3 289.423 1.004 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001716988503 1180493902 /nfs/dbraw/zinc/49/39/02/1180493902.db2.gz BQSHMWFKXHWXAL-KBPBESRZSA-N 1 3 290.411 1.603 10 30 CDEEHO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001717472308 1180693430 /nfs/dbraw/zinc/69/34/30/1180693430.db2.gz KZRSCXRGDOIKSI-CABCVRRESA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001717472308 1180693436 /nfs/dbraw/zinc/69/34/36/1180693436.db2.gz KZRSCXRGDOIKSI-CABCVRRESA-N 1 3 279.428 1.319 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001731478388 1182410179 /nfs/dbraw/zinc/41/01/79/1182410179.db2.gz BFFSCPPUXYIXSE-BETUJISGSA-N 1 3 265.401 1.284 10 30 CDEEHO C=CC[NH2+]C[C@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001732254975 1182885499 /nfs/dbraw/zinc/88/54/99/1182885499.db2.gz XZGOTKAQVNRHJV-HNNXBMFYSA-N 1 3 276.384 1.321 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C1CCC1 ZINC001734020984 1183616563 /nfs/dbraw/zinc/61/65/63/1183616563.db2.gz WBHXCRZOOKUGTK-UHFFFAOYSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCN[C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734346092 1183742205 /nfs/dbraw/zinc/74/22/05/1183742205.db2.gz JKYRJMXCUQDHJQ-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001734346092 1183742208 /nfs/dbraw/zinc/74/22/08/1183742208.db2.gz JKYRJMXCUQDHJQ-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390718804 976452833 /nfs/dbraw/zinc/45/28/33/976452833.db2.gz KYMAERBFIRRIDX-NWDGAFQWSA-N 1 3 273.808 1.175 10 30 CDEEHO C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390718804 976452840 /nfs/dbraw/zinc/45/28/40/976452840.db2.gz KYMAERBFIRRIDX-NWDGAFQWSA-N 1 3 273.808 1.175 10 30 CDEEHO C#CCN1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001566878793 1168039574 /nfs/dbraw/zinc/03/95/74/1168039574.db2.gz HAUWLJLUVXLIRU-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C=C(C)CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001567449264 1168770226 /nfs/dbraw/zinc/77/02/26/1168770226.db2.gz RXYCGKFSSVDGJN-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001567449264 1168770234 /nfs/dbraw/zinc/77/02/34/1168770234.db2.gz RXYCGKFSSVDGJN-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[NH2+][C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001266976564 896476041 /nfs/dbraw/zinc/47/60/41/896476041.db2.gz XQRDJXLXWVBWDA-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001267571553 898442694 /nfs/dbraw/zinc/44/26/94/898442694.db2.gz NSZKZUIMTAOKIH-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001267571553 898442681 /nfs/dbraw/zinc/44/26/81/898442681.db2.gz NSZKZUIMTAOKIH-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001267926733 899989992 /nfs/dbraw/zinc/98/99/92/899989992.db2.gz WLCKSDVYWMWBDW-HDJSIYSDSA-N 1 3 279.428 1.674 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001481488174 900903260 /nfs/dbraw/zinc/90/32/60/900903260.db2.gz PCGVSZYOJLTGAO-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001481488174 900903265 /nfs/dbraw/zinc/90/32/65/900903265.db2.gz PCGVSZYOJLTGAO-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001268106409 901304889 /nfs/dbraw/zinc/30/48/89/901304889.db2.gz UEWWKYFSELLORE-HOTGVXAUSA-N 1 3 293.455 1.613 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268753975 903084013 /nfs/dbraw/zinc/08/40/13/903084013.db2.gz YKYFNDYLBFOWKU-CABCVRRESA-N 1 3 283.460 1.975 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268753975 903084023 /nfs/dbraw/zinc/08/40/23/903084023.db2.gz YKYFNDYLBFOWKU-CABCVRRESA-N 1 3 283.460 1.975 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1CC ZINC001269180540 903512161 /nfs/dbraw/zinc/51/21/61/903512161.db2.gz DUKJAKAAXHVYQD-ZFWWWQNUSA-N 1 3 288.395 1.192 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001270420256 904624322 /nfs/dbraw/zinc/62/43/22/904624322.db2.gz RHLWENAHNNRCFA-CABCVRRESA-N 1 3 281.444 1.779 10 30 CDEEHO CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](CC)N(C)C ZINC001482393896 905291447 /nfs/dbraw/zinc/29/14/47/905291447.db2.gz SKPFSEYALDISRT-CABCVRRESA-N 1 3 281.444 1.470 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001483448657 911133603 /nfs/dbraw/zinc/13/36/03/911133603.db2.gz XJXHNMGYEMFZLU-CABCVRRESA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCN(C)Cc1ccccc1CNC(=O)CC[NH+](C)C ZINC001272675052 914972791 /nfs/dbraw/zinc/97/27/91/914972791.db2.gz FKYVNJAWVYQZTE-UHFFFAOYSA-N 1 3 289.423 1.872 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001568194586 1169170415 /nfs/dbraw/zinc/17/04/15/1169170415.db2.gz ZYGSLJCIZKVIGZ-CABCVRRESA-N 1 3 281.444 1.636 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001485340973 916856824 /nfs/dbraw/zinc/85/68/24/916856824.db2.gz AJJHWCAHCXRIQQ-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001485340973 916856832 /nfs/dbraw/zinc/85/68/32/916856832.db2.gz AJJHWCAHCXRIQQ-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491109664 936859008 /nfs/dbraw/zinc/85/90/08/936859008.db2.gz LRVCNMRSKKWLHK-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491109664 936859010 /nfs/dbraw/zinc/85/90/10/936859010.db2.gz LRVCNMRSKKWLHK-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001490377115 927140689 /nfs/dbraw/zinc/14/06/89/927140689.db2.gz UKMOZRGVXGBUQE-UHFFFAOYSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001490377115 927140692 /nfs/dbraw/zinc/14/06/92/927140692.db2.gz UKMOZRGVXGBUQE-UHFFFAOYSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001274943947 931614264 /nfs/dbraw/zinc/61/42/64/931614264.db2.gz KDPOERVNBZKWKN-CABCVRRESA-N 1 3 279.428 1.367 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001568630485 1169406630 /nfs/dbraw/zinc/40/66/30/1169406630.db2.gz DSMBTPVCCWAZKR-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001122494946 937937144 /nfs/dbraw/zinc/93/71/44/937937144.db2.gz MJVZDVLWYMPDMO-OLZOCXBDSA-N 1 3 253.390 1.176 10 30 CDEEHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001276717569 940855285 /nfs/dbraw/zinc/85/52/85/940855285.db2.gz PXMZKAZNVYPOHV-XQLPTFJDSA-N 1 3 279.428 1.197 10 30 CDEEHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001276717569 940855286 /nfs/dbraw/zinc/85/52/86/940855286.db2.gz PXMZKAZNVYPOHV-XQLPTFJDSA-N 1 3 279.428 1.197 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001281663259 942604862 /nfs/dbraw/zinc/60/48/62/942604862.db2.gz BRMYCSIZJHKYMR-ZIAGYGMSSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001281663259 942604865 /nfs/dbraw/zinc/60/48/65/942604865.db2.gz BRMYCSIZJHKYMR-ZIAGYGMSSA-N 1 3 279.428 1.626 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001316623001 942769693 /nfs/dbraw/zinc/76/96/93/942769693.db2.gz RXBOHBFOVWYGHW-ZNMIVQPWSA-N 1 3 279.428 1.080 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001265590560 944440834 /nfs/dbraw/zinc/44/08/34/944440834.db2.gz CHXOQZUBPGORDB-JKSUJKDBSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001265590560 944440838 /nfs/dbraw/zinc/44/08/38/944440838.db2.gz CHXOQZUBPGORDB-JKSUJKDBSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCCC[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001265822984 944525608 /nfs/dbraw/zinc/52/56/08/944525608.db2.gz BNMZDDSMARVGIA-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266117471 944694088 /nfs/dbraw/zinc/69/40/88/944694088.db2.gz UEYNKKMWFFLNHM-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001266117471 944694098 /nfs/dbraw/zinc/69/40/98/944694098.db2.gz UEYNKKMWFFLNHM-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CC[NH+]1CCC(N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001266195805 944745780 /nfs/dbraw/zinc/74/57/80/944745780.db2.gz ZVRLOJCWTBBTQC-AWEZNQCLSA-N 1 3 267.417 1.435 10 30 CDEEHO C[NH+](C)CC#CCNC[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724024455 948564247 /nfs/dbraw/zinc/56/42/47/948564247.db2.gz RBSOMZZNXFOETF-SECBINFHSA-N 1 3 288.260 1.090 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]C[C@@H](F)CC)CC1 ZINC001569038083 1169606971 /nfs/dbraw/zinc/60/69/71/1169606971.db2.gz HBQUMXFILBRTPH-HIFRSBDPSA-N 1 3 297.418 1.174 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC=C)CC1 ZINC001480813837 971890730 /nfs/dbraw/zinc/89/07/30/971890730.db2.gz MNXLIRUIDYXISB-OAHLLOKOSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001326285160 954302692 /nfs/dbraw/zinc/30/26/92/954302692.db2.gz AXNHJBQYXBDTRQ-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001297373053 955017391 /nfs/dbraw/zinc/01/73/91/955017391.db2.gz MCSYSCVUQFSSSP-UHFFFAOYSA-N 1 3 265.401 1.049 10 30 CDEEHO CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001327969430 955137351 /nfs/dbraw/zinc/13/73/51/955137351.db2.gz HYXQQUIDDSOPBI-AWEZNQCLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001494021973 972164162 /nfs/dbraw/zinc/16/41/62/972164162.db2.gz QCHGMUNUGGPBHS-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001494021973 972164166 /nfs/dbraw/zinc/16/41/66/972164166.db2.gz QCHGMUNUGGPBHS-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001340165502 956703181 /nfs/dbraw/zinc/70/31/81/956703181.db2.gz VJGXNXJNWUIZKY-ZFWWWQNUSA-N 1 3 265.401 1.272 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317062898 957238309 /nfs/dbraw/zinc/23/83/09/957238309.db2.gz UPTBUSZBEZAXHZ-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCN[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317304009 957413551 /nfs/dbraw/zinc/41/35/51/957413551.db2.gz MBBWMOYKDTUUSW-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317304009 957413554 /nfs/dbraw/zinc/41/35/54/957413554.db2.gz MBBWMOYKDTUUSW-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001495536074 972531877 /nfs/dbraw/zinc/53/18/77/972531877.db2.gz ORTPVCMWMZVCGO-MRXNPFEDSA-N 1 3 293.455 1.424 10 30 CDEEHO CC#CCCCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001557450258 965175260 /nfs/dbraw/zinc/17/52/60/965175260.db2.gz JSEPKAPAPDAONN-HNNXBMFYSA-N 1 3 281.444 1.568 10 30 CDEEHO CC#CCCCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001557450258 965175263 /nfs/dbraw/zinc/17/52/63/965175263.db2.gz JSEPKAPAPDAONN-HNNXBMFYSA-N 1 3 281.444 1.568 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001569401849 1169860164 /nfs/dbraw/zinc/86/01/64/1169860164.db2.gz HRLVSKYZRFMMDJ-CYBMUJFWSA-N 1 3 265.401 1.285 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001522262961 970415514 /nfs/dbraw/zinc/41/55/14/970415514.db2.gz DCSOHPGNSWRSNU-CHWSQXEVSA-N 1 3 253.390 1.400 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500520115 974447443 /nfs/dbraw/zinc/44/74/43/974447443.db2.gz YYBYPYSSXABKHS-INIZCTEOSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001505455496 974885562 /nfs/dbraw/zinc/88/55/62/974885562.db2.gz BQSZKYYBZVRAPE-HUUCEWRRSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001505455496 974885568 /nfs/dbraw/zinc/88/55/68/974885568.db2.gz BQSZKYYBZVRAPE-HUUCEWRRSA-N 1 3 281.444 1.826 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCF)CC1 ZINC001505760788 974985173 /nfs/dbraw/zinc/98/51/73/974985173.db2.gz OZUAKIPYDPYURK-UONOGXRCSA-N 1 3 297.418 1.174 10 30 CDEEHO C#CCCN1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001506666466 975200238 /nfs/dbraw/zinc/20/02/38/975200238.db2.gz QAJRLBPQUAMEJZ-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(Cl)CNC1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001392014654 977182175 /nfs/dbraw/zinc/18/21/75/977182175.db2.gz SCZPOPHWQJFQKG-UHFFFAOYSA-N 1 3 287.835 1.709 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001674157003 1173920791 /nfs/dbraw/zinc/92/07/91/1173920791.db2.gz YQEFRQYHJLXYAF-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001674157003 1173920797 /nfs/dbraw/zinc/92/07/97/1173920797.db2.gz YQEFRQYHJLXYAF-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001674674500 1173985667 /nfs/dbraw/zinc/98/56/67/1173985667.db2.gz SXLCPFDYBAGZDD-KBPBESRZSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001571486360 1170450826 /nfs/dbraw/zinc/45/08/26/1170450826.db2.gz CWJQBNFILUAHDI-UONOGXRCSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001656150789 1171780279 /nfs/dbraw/zinc/78/02/79/1171780279.db2.gz UTYBZVGRUYEZSM-GASCZTMLSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)CN(CC)CC)[C@H]1C ZINC001656957476 1171904954 /nfs/dbraw/zinc/90/49/54/1171904954.db2.gz RDLMKDOYWAPADA-ILXRZTDVSA-N 1 3 297.418 1.269 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)CN(CC)CC)[C@H]1C ZINC001656957476 1171904956 /nfs/dbraw/zinc/90/49/56/1171904956.db2.gz RDLMKDOYWAPADA-ILXRZTDVSA-N 1 3 297.418 1.269 10 30 CDEEHO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000592504166 342706452 /nfs/dbraw/zinc/70/64/52/342706452.db2.gz NSDOUKCFDNSTRZ-CQSZACIVSA-N 1 3 280.416 1.030 10 30 CDEEHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](N)CCCCC#N ZINC000594437667 342906058 /nfs/dbraw/zinc/90/60/58/342906058.db2.gz KKQYZAZONYWSMF-OLZOCXBDSA-N 1 3 268.405 1.244 10 30 CDEEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)CCCCC#N ZINC000594437667 342906059 /nfs/dbraw/zinc/90/60/59/342906059.db2.gz KKQYZAZONYWSMF-OLZOCXBDSA-N 1 3 268.405 1.244 10 30 CDEEHO C[NH2+]Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594444601 342908389 /nfs/dbraw/zinc/90/83/89/342908389.db2.gz VGDWHPCNKPOOIN-AWEZNQCLSA-N 1 3 274.368 1.756 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001661136472 1172341793 /nfs/dbraw/zinc/34/17/93/1172341793.db2.gz KDJWFGYKKCXDAO-HNNXBMFYSA-N 1 3 279.428 1.531 10 30 CDEEHO N#CCCOCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000339139108 391257108 /nfs/dbraw/zinc/25/71/08/391257108.db2.gz AOKLCWNQDXPNJB-HDICACEKSA-N 1 3 299.418 1.980 10 30 CDEEHO N#CCCOCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000339139108 391257113 /nfs/dbraw/zinc/25/71/13/391257113.db2.gz AOKLCWNQDXPNJB-HDICACEKSA-N 1 3 299.418 1.980 10 30 CDEEHO C=C(C)C[N@H+](CCC)CCNC(=O)C1(N(C)C)CCC1 ZINC001663665079 1172744783 /nfs/dbraw/zinc/74/47/83/1172744783.db2.gz YHRAALQJTCCGMJ-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)C[N@@H+](CCC)CCNC(=O)C1(N(C)C)CCC1 ZINC001663665079 1172744789 /nfs/dbraw/zinc/74/47/89/1172744789.db2.gz YHRAALQJTCCGMJ-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[C@@]1(C(=O)NC2CCN(C3CC3)CC2)CCC[NH2+]1 ZINC000662671737 413286389 /nfs/dbraw/zinc/28/63/89/413286389.db2.gz RHDFGNLMMSKASR-INIZCTEOSA-N 1 3 277.412 1.428 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000662700342 413339480 /nfs/dbraw/zinc/33/94/80/413339480.db2.gz HLXZIXQZMJZBPK-ZFWWWQNUSA-N 1 3 265.401 1.143 10 30 CDEEHO C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001670042144 1173648802 /nfs/dbraw/zinc/64/88/02/1173648802.db2.gz TYYVOVXLODRFHX-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001671915970 1173722783 /nfs/dbraw/zinc/72/27/83/1173722783.db2.gz CFBCYGUMPHWQRL-NVXWUHKLSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001671915970 1173722788 /nfs/dbraw/zinc/72/27/88/1173722788.db2.gz CFBCYGUMPHWQRL-NVXWUHKLSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001672247302 1173756177 /nfs/dbraw/zinc/75/61/77/1173756177.db2.gz UKUKMHUVVBZYCR-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414718557 328216675 /nfs/dbraw/zinc/21/66/75/328216675.db2.gz ZIRPLISXLTXVTJ-CYBMUJFWSA-N 1 3 253.390 1.082 10 30 CDEEHO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414718557 328216676 /nfs/dbraw/zinc/21/66/76/328216676.db2.gz ZIRPLISXLTXVTJ-CYBMUJFWSA-N 1 3 253.390 1.082 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414718559 328216742 /nfs/dbraw/zinc/21/67/42/328216742.db2.gz ZIRPLISXLTXVTJ-ZDUSSCGKSA-N 1 3 253.390 1.082 10 30 CDEEHO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414718559 328216743 /nfs/dbraw/zinc/21/67/43/328216743.db2.gz ZIRPLISXLTXVTJ-ZDUSSCGKSA-N 1 3 253.390 1.082 10 30 CDEEHO C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)N1CCCC[C@H]1C ZINC000262427182 330009811 /nfs/dbraw/zinc/00/98/11/330009811.db2.gz CZCACYIHYOONCJ-MGPQQGTHSA-N 1 3 282.432 1.285 10 30 CDEEHO CCN1CCC[C@H]1CN(C)C(NCC1(C)CC1)=[NH+]C ZINC000262446315 330013547 /nfs/dbraw/zinc/01/35/47/330013547.db2.gz VJHKTNZFNYXDHQ-ZDUSSCGKSA-N 1 3 266.433 1.778 10 30 CDEEHO CC(C)CN1CCCC[C@@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262476440 330016094 /nfs/dbraw/zinc/01/60/94/330016094.db2.gz QHKZFGCMXDBSFP-HUUCEWRRSA-N 1 3 296.459 1.532 10 30 CDEEHO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001699098446 1176092701 /nfs/dbraw/zinc/09/27/01/1176092701.db2.gz DJBMTUKJSVVOEX-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001691691725 1161571155 /nfs/dbraw/zinc/57/11/55/1161571155.db2.gz CXGZLCBYKNZVEI-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001266409599 1158534609 /nfs/dbraw/zinc/53/46/09/1158534609.db2.gz MURIECTZVATLHV-HOTGVXAUSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CC[N@H+](CC)CCNC(=O)CN(C)C1CCC1 ZINC001691023567 1158538802 /nfs/dbraw/zinc/53/88/02/1158538802.db2.gz JSTGMJKJFYHKRR-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[N@@H+](CC)CCNC(=O)CN(C)C1CCC1 ZINC001691023567 1158538804 /nfs/dbraw/zinc/53/88/04/1158538804.db2.gz JSTGMJKJFYHKRR-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261941707 684550521 /nfs/dbraw/zinc/55/05/21/684550521.db2.gz DRDOTZBYDKVKBI-LJISPDSOSA-N 1 3 280.460 1.926 10 30 CDEEHO C=C(C)[C@@H](CO)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931286621 684814441 /nfs/dbraw/zinc/81/44/41/684814441.db2.gz LOEVGCUKNHZERC-OAHLLOKOSA-N 1 3 268.401 1.110 10 30 CDEEHO N#CCc1cccc2c1CCN(C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923412560 684843670 /nfs/dbraw/zinc/84/36/70/684843670.db2.gz ZWDKBQXEKWIZNQ-INIZCTEOSA-N 1 3 297.402 1.489 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 ZINC000303792256 684880584 /nfs/dbraw/zinc/88/05/84/684880584.db2.gz YIPZTCBNKZGBCY-OAGGEKHMSA-N 1 3 286.423 1.931 10 30 CDEEHO C#C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417599 684955116 /nfs/dbraw/zinc/95/51/16/684955116.db2.gz AYXRTPNRSWSVQM-HUUCEWRRSA-N 1 3 264.413 1.877 10 30 CDEEHO C#C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417599 684955119 /nfs/dbraw/zinc/95/51/19/684955119.db2.gz AYXRTPNRSWSVQM-HUUCEWRRSA-N 1 3 264.413 1.877 10 30 CDEEHO C[NH+]=C(NCC(F)F)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262012720 685851602 /nfs/dbraw/zinc/85/16/02/685851602.db2.gz XBJNTMNQXZRILF-NXEZZACHSA-N 1 3 262.348 1.145 10 30 CDEEHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925654890 685905465 /nfs/dbraw/zinc/90/54/65/685905465.db2.gz HIRNSALCEFOCDF-MCIONIFRSA-N 1 3 250.386 1.842 10 30 CDEEHO C[C@@H](C#N)OCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000394105572 686827361 /nfs/dbraw/zinc/82/73/61/686827361.db2.gz XSVAMKYQURMNFZ-AWEZNQCLSA-N 1 3 265.401 1.723 10 30 CDEEHO CCNC(NCCN1[C@H](C)CCC[C@@H]1C)=[NH+]CC ZINC000849214561 686857227 /nfs/dbraw/zinc/85/72/27/686857227.db2.gz QRLBTMDLZTVYTP-BETUJISGSA-N 1 3 254.422 1.824 10 30 CDEEHO C#CCOCCN(C)[C@H]1CCC[N@H+](CCOCC#C)CC1 ZINC000851866678 687020004 /nfs/dbraw/zinc/02/00/04/687020004.db2.gz QDMQXIDJOAROON-KRWDZBQOSA-N 1 3 292.423 1.072 10 30 CDEEHO C#CCOCCN(C)[C@H]1CCC[N@@H+](CCOCC#C)CC1 ZINC000851866678 687020006 /nfs/dbraw/zinc/02/00/06/687020006.db2.gz QDMQXIDJOAROON-KRWDZBQOSA-N 1 3 292.423 1.072 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000877010242 687730320 /nfs/dbraw/zinc/73/03/20/687730320.db2.gz QRWYDFXDTOJXER-MELADBBJSA-N 1 3 293.798 1.328 10 30 CDEEHO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@@H](N)CCCC#N ZINC000867988094 688082651 /nfs/dbraw/zinc/08/26/51/688082651.db2.gz UDGACUQJJIDBEG-GXTWGEPZSA-N 1 3 286.379 1.833 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000877425536 688168711 /nfs/dbraw/zinc/16/87/11/688168711.db2.gz CTDQMDDSWOQEIR-YPMHNXCESA-N 1 3 293.798 1.936 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001690821371 1158778284 /nfs/dbraw/zinc/77/82/84/1158778284.db2.gz VEVCEGUDFYOJGW-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001690821371 1158778287 /nfs/dbraw/zinc/77/82/87/1158778287.db2.gz VEVCEGUDFYOJGW-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1C ZINC001263275044 1167442415 /nfs/dbraw/zinc/44/24/15/1167442415.db2.gz UESFOAOYEHSZDR-MNOVXSKESA-N 1 3 259.781 1.057 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001570648553 1170221697 /nfs/dbraw/zinc/22/16/97/1170221697.db2.gz ZGDHJQPGVQILEI-MNOVXSKESA-N 1 3 264.373 1.320 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001661152446 1172344972 /nfs/dbraw/zinc/34/49/72/1172344972.db2.gz QLMZJZPPIZOHSO-OAHLLOKOSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCCC[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001662239579 1172515108 /nfs/dbraw/zinc/51/51/08/1172515108.db2.gz SQEIQUDDVUOYFM-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCN1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001672562981 1173783638 /nfs/dbraw/zinc/78/36/38/1173783638.db2.gz OWMFUJJUPQYISC-LSDHHAIUSA-N 1 3 291.439 1.437 10 30 CDEEHO C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001673622002 1173874748 /nfs/dbraw/zinc/87/47/48/1173874748.db2.gz XHMOVWJAUHNUBD-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001690392355 1175459215 /nfs/dbraw/zinc/45/92/15/1175459215.db2.gz VRHSAVGGRNIOOQ-MRXNPFEDSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001692127786 1175680995 /nfs/dbraw/zinc/68/09/95/1175680995.db2.gz CFIKQLFYOLHMHV-AWEZNQCLSA-N 1 3 290.411 1.889 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699345819 1176274197 /nfs/dbraw/zinc/27/41/97/1176274197.db2.gz QNZVYUSFHYXXAZ-WLMCBFPDSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001699423611 1176388072 /nfs/dbraw/zinc/38/80/72/1176388072.db2.gz YCCZCNLXNAVQMK-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CCNC1(CNC(=O)CCC[NH+]2CCCC2)CCC1 ZINC001700143422 1176769825 /nfs/dbraw/zinc/76/98/25/1176769825.db2.gz TXMBHWPSYXHEBQ-UHFFFAOYSA-N 1 3 291.439 1.514 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001701023322 1177243461 /nfs/dbraw/zinc/24/34/61/1177243461.db2.gz AACOHIAYUGAANP-OPFPJEHXSA-N 1 3 290.411 1.886 10 30 CDEEHO C=CCC[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001701030004 1177245422 /nfs/dbraw/zinc/24/54/22/1177245422.db2.gz ZNDOSPORNOQSJV-UHFFFAOYSA-N 1 3 279.428 1.626 10 30 CDEEHO C#CCNCc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001715196851 1179574672 /nfs/dbraw/zinc/57/46/72/1179574672.db2.gz OBXKZTCGLRIBSA-UHFFFAOYSA-N 1 3 299.418 1.367 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715535526 1179707071 /nfs/dbraw/zinc/70/70/71/1179707071.db2.gz VDPXPJOGNWQCLN-UHFFFAOYSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001717755817 1180831853 /nfs/dbraw/zinc/83/18/53/1180831853.db2.gz IDCSXQOOABRGMN-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001723699100 1181594943 /nfs/dbraw/zinc/59/49/43/1181594943.db2.gz DFCLCSGWYMXGEB-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001724221664 1181656392 /nfs/dbraw/zinc/65/63/92/1181656392.db2.gz AWRSKIMAFCKJHZ-KRWDZBQOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001725063616 1181841392 /nfs/dbraw/zinc/84/13/92/1181841392.db2.gz CNIIEBTVHUQDJY-YMAMQOFZSA-N 1 3 279.428 1.530 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001725183590 1181911117 /nfs/dbraw/zinc/91/11/17/1181911117.db2.gz WCGXNMLDRQQPBQ-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001725183590 1181911123 /nfs/dbraw/zinc/91/11/23/1181911123.db2.gz WCGXNMLDRQQPBQ-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO C=CCN1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001731542242 1182442257 /nfs/dbraw/zinc/44/22/57/1182442257.db2.gz MNPDIMCHGLHJCM-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCN1CCCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001731542242 1182442265 /nfs/dbraw/zinc/44/22/65/1182442265.db2.gz MNPDIMCHGLHJCM-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731867948 1182638800 /nfs/dbraw/zinc/63/88/00/1182638800.db2.gz BXOBPOFAEQLYOM-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001731867948 1182638804 /nfs/dbraw/zinc/63/88/04/1182638804.db2.gz BXOBPOFAEQLYOM-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001733353595 1183408207 /nfs/dbraw/zinc/40/82/07/1183408207.db2.gz KGCFGNLUYAKAET-JKSUJKDBSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001734041051 1183631324 /nfs/dbraw/zinc/63/13/24/1183631324.db2.gz SLRHQIKKLWHXJH-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001734041051 1183631325 /nfs/dbraw/zinc/63/13/25/1183631325.db2.gz SLRHQIKKLWHXJH-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001734503645 1183801822 /nfs/dbraw/zinc/80/18/22/1183801822.db2.gz FPEYOEYLZPLLRA-CQSZACIVSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001671089954 1164415131 /nfs/dbraw/zinc/41/51/31/1164415131.db2.gz DYWQDEZPYDCXJY-KRWDZBQOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001671089954 1164415134 /nfs/dbraw/zinc/41/51/34/1164415134.db2.gz DYWQDEZPYDCXJY-KRWDZBQOSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001266690762 895839726 /nfs/dbraw/zinc/83/97/26/895839726.db2.gz PBIRCDLFLRWJRC-OKILXGFUSA-N 1 3 279.428 1.674 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001266821045 896120028 /nfs/dbraw/zinc/12/00/28/896120028.db2.gz WRTQDMDNAFZVOE-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001266976563 896476614 /nfs/dbraw/zinc/47/66/14/896476614.db2.gz XQRDJXLXWVBWDA-GJZGRUSLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001267603450 898755039 /nfs/dbraw/zinc/75/50/39/898755039.db2.gz RVACOXCPJNJFCM-MRXNPFEDSA-N 1 3 295.471 1.929 10 30 CDEEHO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001267603450 898755048 /nfs/dbraw/zinc/75/50/48/898755048.db2.gz RVACOXCPJNJFCM-MRXNPFEDSA-N 1 3 295.471 1.929 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001267653784 899176655 /nfs/dbraw/zinc/17/66/55/899176655.db2.gz YSPRPOBKVLUHCP-HUUCEWRRSA-N 1 3 297.418 1.080 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001267653784 899176661 /nfs/dbraw/zinc/17/66/61/899176661.db2.gz YSPRPOBKVLUHCP-HUUCEWRRSA-N 1 3 297.418 1.080 10 30 CDEEHO C=C(C)C[NH2+]C[C@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001481947186 902393231 /nfs/dbraw/zinc/39/32/31/902393231.db2.gz IDBGSWRQTYBFMO-INIZCTEOSA-N 1 3 290.411 1.711 10 30 CDEEHO C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001482003029 902460236 /nfs/dbraw/zinc/46/02/36/902460236.db2.gz GBSFSBIUFUTWQN-MRXNPFEDSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CCCF)CC1 ZINC001482171105 902799549 /nfs/dbraw/zinc/79/95/49/902799549.db2.gz BNXWXDYZCYXHPN-AWEZNQCLSA-N 1 3 297.418 1.033 10 30 CDEEHO C=CCCN1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001269310846 903683921 /nfs/dbraw/zinc/68/39/21/903683921.db2.gz NWKVNZMVIMDTEH-HNNXBMFYSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CC1 ZINC001269427904 903799653 /nfs/dbraw/zinc/79/96/53/903799653.db2.gz CXZKFRRDGPPLLG-UHFFFAOYSA-N 1 3 265.401 1.285 10 30 CDEEHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001270081460 904335941 /nfs/dbraw/zinc/33/59/41/904335941.db2.gz CZRRFYPQNOJZBY-MRXNPFEDSA-N 1 3 289.423 1.919 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482291115 904663080 /nfs/dbraw/zinc/66/30/80/904663080.db2.gz CVIRSUWHJDZXFJ-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001271181994 906150103 /nfs/dbraw/zinc/15/01/03/906150103.db2.gz PNOFYVFFKOKHEM-ZIAGYGMSSA-N 1 3 267.417 1.032 10 30 CDEEHO C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)CCC ZINC001482500196 906679186 /nfs/dbraw/zinc/67/91/86/906679186.db2.gz STXNXGPUUBHXOU-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001482534434 906893977 /nfs/dbraw/zinc/89/39/77/906893977.db2.gz RXXMEBYGUFXXGS-OAHLLOKOSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001483848608 915111749 /nfs/dbraw/zinc/11/17/49/915111749.db2.gz WHICZWOCUWWJRZ-MRXNPFEDSA-N 1 3 279.428 1.439 10 30 CDEEHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001483848608 915111764 /nfs/dbraw/zinc/11/17/64/915111764.db2.gz WHICZWOCUWWJRZ-MRXNPFEDSA-N 1 3 279.428 1.439 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001484547637 915874742 /nfs/dbraw/zinc/87/47/42/915874742.db2.gz AHZPGNOKGUPGBP-JKSUJKDBSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001494119296 920641386 /nfs/dbraw/zinc/64/13/86/920641386.db2.gz JEQHJJWQHBFXGQ-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001494119296 920641394 /nfs/dbraw/zinc/64/13/94/920641394.db2.gz JEQHJJWQHBFXGQ-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001122132894 937907810 /nfs/dbraw/zinc/90/78/10/937907810.db2.gz ZTKOQQSRGFAKOY-XQQFMLRXSA-N 1 3 253.390 1.126 10 30 CDEEHO C=C(C)CC[NH2+]C/C=C/CNC(=O)CN1CC[C@H](C)C1 ZINC001274368454 931494234 /nfs/dbraw/zinc/49/42/34/931494234.db2.gz LMQJAEMKBSJORE-RGDDUWESSA-N 1 3 279.428 1.556 10 30 CDEEHO CC#CC[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001568678587 1169426783 /nfs/dbraw/zinc/42/67/83/1169426783.db2.gz VJLQSCPKFJHGEU-CQSZACIVSA-N 1 3 281.444 1.472 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276970462 941751816 /nfs/dbraw/zinc/75/18/16/941751816.db2.gz RAGQNMAVVQBWMS-KGLIPLIRSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276970462 941751818 /nfs/dbraw/zinc/75/18/18/941751818.db2.gz RAGQNMAVVQBWMS-KGLIPLIRSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001282262661 942684167 /nfs/dbraw/zinc/68/41/67/942684167.db2.gz BYSQWEBDRRMAHB-UYSNPLJNSA-N 1 3 293.455 1.709 10 30 CDEEHO C#CCN1CC[C@]2(NC(=O)CC[N@@H+](C)CCC)CCC[C@H]12 ZINC001284071012 943069586 /nfs/dbraw/zinc/06/95/86/943069586.db2.gz LBZRWACLHFZVOL-DOTOQJQBSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN1CC[C@]2(NC(=O)CC[N@H+](C)CCC)CCC[C@H]12 ZINC001284071012 943069593 /nfs/dbraw/zinc/06/95/93/943069593.db2.gz LBZRWACLHFZVOL-DOTOQJQBSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001277937974 944127334 /nfs/dbraw/zinc/12/73/34/944127334.db2.gz MADSDLJFHCNVNU-XJKSGUPXSA-N 1 3 297.418 1.269 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001479295638 971291642 /nfs/dbraw/zinc/29/16/42/971291642.db2.gz RLTXTODIPPKHKT-XHSDSOJGSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001480394848 971703088 /nfs/dbraw/zinc/70/30/88/971703088.db2.gz POCQIRXLFOCVOT-ARKGTOAJSA-N 1 3 293.455 1.728 10 30 CDEEHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001480394848 971703091 /nfs/dbraw/zinc/70/30/91/971703091.db2.gz POCQIRXLFOCVOT-ARKGTOAJSA-N 1 3 293.455 1.728 10 30 CDEEHO C#CCN1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001326602621 954450130 /nfs/dbraw/zinc/45/01/30/954450130.db2.gz DNQCEIVZBJBITB-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001493385087 972037296 /nfs/dbraw/zinc/03/72/96/972037296.db2.gz BDDWJLGLUHMXFM-MRXNPFEDSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001493385087 972037302 /nfs/dbraw/zinc/03/73/02/972037302.db2.gz BDDWJLGLUHMXFM-MRXNPFEDSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001493696193 972102927 /nfs/dbraw/zinc/10/29/27/972102927.db2.gz QEKAJYBLRBBWBQ-UHFFFAOYSA-N 1 3 269.433 1.588 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001329102804 955686426 /nfs/dbraw/zinc/68/64/26/955686426.db2.gz HKWVKUCDJGGDKJ-KGLIPLIRSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001316853417 956314530 /nfs/dbraw/zinc/31/45/30/956314530.db2.gz FIQCDWQSSAJQFY-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@H+](C)CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001316853417 956314546 /nfs/dbraw/zinc/31/45/46/956314546.db2.gz FIQCDWQSSAJQFY-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001317011971 956923902 /nfs/dbraw/zinc/92/39/02/956923902.db2.gz FSSOKVGEQPLEHI-HOTGVXAUSA-N 1 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/nfs/dbraw/zinc/51/49/68/963514968.db2.gz ICECBVIWKDKIHP-VWYCJHECSA-N 1 3 293.333 1.408 10 30 CDEEHO C[C@H](CNC(=O)CC[NH+](C)C)NCc1ccc(C#N)s1 ZINC001480530853 968116198 /nfs/dbraw/zinc/11/61/98/968116198.db2.gz PBKTZVCWEQMRJE-LLVKDONJSA-N 1 3 294.424 1.166 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001358204660 969708395 /nfs/dbraw/zinc/70/83/95/969708395.db2.gz YOYGBSCRRRCREB-UMVBOHGHSA-N 1 3 265.401 1.318 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001480612848 970078171 /nfs/dbraw/zinc/07/81/71/970078171.db2.gz VBRPNTDMNOKBMC-UONOGXRCSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001522669768 970533419 /nfs/dbraw/zinc/53/34/19/970533419.db2.gz ZAYBRQRBMMIGHU-QWHCGFSZSA-N 1 3 253.390 1.271 10 30 CDEEHO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001497329900 973288983 /nfs/dbraw/zinc/28/89/83/973288983.db2.gz FIUFKMNYNKTTDE-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[N@@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001498380277 973872875 /nfs/dbraw/zinc/87/28/75/973872875.db2.gz GIKZVUNSXJBHAZ-ZDUSSCGKSA-N 1 3 269.433 1.587 10 30 CDEEHO C=CC[N@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001498380277 973872883 /nfs/dbraw/zinc/87/28/83/973872883.db2.gz GIKZVUNSXJBHAZ-ZDUSSCGKSA-N 1 3 269.433 1.587 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001569716514 1169975130 /nfs/dbraw/zinc/97/51/30/1169975130.db2.gz SRQDICIPYAYKFY-WBVHZDCISA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001569716514 1169975131 /nfs/dbraw/zinc/97/51/31/1169975131.db2.gz SRQDICIPYAYKFY-WBVHZDCISA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[N@H+](C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001502341816 974722822 /nfs/dbraw/zinc/72/28/22/974722822.db2.gz FFGXCHPPYOSMOE-UHFFFAOYSA-N 1 3 279.428 1.274 10 30 CDEEHO CC#CC[N@@H+](C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001502341816 974722826 /nfs/dbraw/zinc/72/28/26/974722826.db2.gz FFGXCHPPYOSMOE-UHFFFAOYSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CCN1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001675677384 1174136725 /nfs/dbraw/zinc/13/67/25/1174136725.db2.gz DMXJHOHLOSPGLV-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001650379057 1171001456 /nfs/dbraw/zinc/00/14/56/1171001456.db2.gz KMWIGLRUSAXETD-YPMHNXCESA-N 1 3 293.798 1.936 10 30 CDEEHO C#CCN1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001656650478 1171857378 /nfs/dbraw/zinc/85/73/78/1171857378.db2.gz GEMBHVXFASQJAJ-KBMXLJTQSA-N 1 3 291.439 1.177 10 30 CDEEHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594437814 342905957 /nfs/dbraw/zinc/90/59/57/342905957.db2.gz XAPTWPLTPJIUTI-ZFWWWQNUSA-N 1 3 294.443 1.586 10 30 CDEEHO CC[NH+]1CCC(CCNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594438649 342906340 /nfs/dbraw/zinc/90/63/40/342906340.db2.gz PFKLJELXLLRXLI-HNNXBMFYSA-N 1 3 294.443 1.636 10 30 CDEEHO C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)C[NH+](C)C ZINC000594439458 342906728 /nfs/dbraw/zinc/90/67/28/342906728.db2.gz QRGDDYMJYUZOIA-OLZOCXBDSA-N 1 3 282.432 1.490 10 30 CDEEHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594439636 342906783 /nfs/dbraw/zinc/90/67/83/342906783.db2.gz TUWJICFFSSRSDZ-UONOGXRCSA-N 1 3 280.416 1.198 10 30 CDEEHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594439636 342906784 /nfs/dbraw/zinc/90/67/84/342906784.db2.gz TUWJICFFSSRSDZ-UONOGXRCSA-N 1 3 280.416 1.198 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000594442030 342907713 /nfs/dbraw/zinc/90/77/13/342907713.db2.gz ZSMGOFSBMHEIJG-HUUCEWRRSA-N 1 3 292.427 1.484 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000594457218 342911805 /nfs/dbraw/zinc/91/18/05/342911805.db2.gz WPLCWZJTVLJDLV-ILXRZTDVSA-N 1 3 292.427 1.388 10 30 CDEEHO N#CCCCC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000595865687 343175818 /nfs/dbraw/zinc/17/58/18/343175818.db2.gz IYTACDHHEOHMRR-AWEZNQCLSA-N 1 3 251.374 1.211 10 30 CDEEHO C[NH2+]CCOCCN(C)Cc1ccc(C#N)c(OC)c1 ZINC000600775431 349880287 /nfs/dbraw/zinc/88/02/87/349880287.db2.gz NWCAZIQOIHNFTP-UHFFFAOYSA-N 1 3 277.368 1.235 10 30 CDEEHO C=C(C)CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001663768427 1172759141 /nfs/dbraw/zinc/75/91/41/1172759141.db2.gz DSWKFKHQTIXSGT-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001663768427 1172759145 /nfs/dbraw/zinc/75/91/45/1172759145.db2.gz DSWKFKHQTIXSGT-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO [NH3+]CC#Cc1csc(CN2CCC[C@@H](O)C2)c1 ZINC000043689011 175095862 /nfs/dbraw/zinc/09/58/62/175095862.db2.gz WHFIHVJLGBIJDA-GFCCVEGCSA-N 1 3 250.367 1.015 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001667751633 1173320042 /nfs/dbraw/zinc/32/00/42/1173320042.db2.gz LXCWUWRUKIGRQL-CABCVRRESA-N 1 3 293.455 1.472 10 30 CDEEHO CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001668326706 1173397403 /nfs/dbraw/zinc/39/74/03/1173397403.db2.gz UQNWBRIFLCBWTH-HUUCEWRRSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001672442843 1173773860 /nfs/dbraw/zinc/77/38/60/1173773860.db2.gz PKKQLNFDCBCBJS-GASCZTMLSA-N 1 3 279.428 1.295 10 30 CDEEHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001672442843 1173773866 /nfs/dbraw/zinc/77/38/66/1173773866.db2.gz PKKQLNFDCBCBJS-GASCZTMLSA-N 1 3 279.428 1.295 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C1CC1 ZINC000262469381 330015337 /nfs/dbraw/zinc/01/53/37/330015337.db2.gz RZMOALSFKKCICD-RWMBFGLXSA-N 1 3 250.390 1.174 10 30 CDEEHO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001725196465 1159231875 /nfs/dbraw/zinc/23/18/75/1159231875.db2.gz QVPVMXACEICDSL-AWEZNQCLSA-N 1 3 269.433 1.729 10 30 CDEEHO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001725196465 1159231879 /nfs/dbraw/zinc/23/18/79/1159231879.db2.gz QVPVMXACEICDSL-AWEZNQCLSA-N 1 3 269.433 1.729 10 30 CDEEHO C=CCCC[NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001691476289 1159334438 /nfs/dbraw/zinc/33/44/38/1159334438.db2.gz GIJAWIYQFLZYFO-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690188649 1175398810 /nfs/dbraw/zinc/39/88/10/1175398810.db2.gz LIXDNPGABPWFFX-OAHLLOKOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690188649 1175398814 /nfs/dbraw/zinc/39/88/14/1175398814.db2.gz LIXDNPGABPWFFX-OAHLLOKOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002977 613742017 /nfs/dbraw/zinc/74/20/17/613742017.db2.gz RKKDMQSZBIZURD-OAHLLOKOSA-N 1 3 293.455 1.731 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001266410032 1158534786 /nfs/dbraw/zinc/53/47/86/1158534786.db2.gz WXUCBRVDQUXARP-CVEARBPZSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001724586382 1158579156 /nfs/dbraw/zinc/57/91/56/1158579156.db2.gz GIIWHKLKRZCNIS-GJZGRUSLSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001700257395 1158944324 /nfs/dbraw/zinc/94/43/24/1158944324.db2.gz AAOBGHWKROIPLY-ZFWWWQNUSA-N 1 3 279.428 1.483 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001691211697 1158960270 /nfs/dbraw/zinc/96/02/70/1158960270.db2.gz XUNDFRDCJYHFIZ-TZMCWYRMSA-N 1 3 265.401 1.093 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001691211697 1158960276 /nfs/dbraw/zinc/96/02/76/1158960276.db2.gz XUNDFRDCJYHFIZ-TZMCWYRMSA-N 1 3 265.401 1.093 10 30 CDEEHO C[N@H+](C[C@H](O)CN[C@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240728 692877344 /nfs/dbraw/zinc/87/73/44/692877344.db2.gz ZMEAUECJRIQOHN-DOTOQJQBSA-N 1 3 285.391 1.070 10 30 CDEEHO C[N@@H+](C[C@H](O)CN[C@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240728 692877347 /nfs/dbraw/zinc/87/73/47/692877347.db2.gz ZMEAUECJRIQOHN-DOTOQJQBSA-N 1 3 285.391 1.070 10 30 CDEEHO C#CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CC1 ZINC000820080475 693142921 /nfs/dbraw/zinc/14/29/21/693142921.db2.gz CEASARFCVLVWBE-AWEZNQCLSA-N 1 3 294.443 1.066 10 30 CDEEHO C#CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CC1 ZINC000820080475 693142924 /nfs/dbraw/zinc/14/29/24/693142924.db2.gz CEASARFCVLVWBE-AWEZNQCLSA-N 1 3 294.443 1.066 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000876854400 694740342 /nfs/dbraw/zinc/74/03/42/694740342.db2.gz SHQLAOFWCVHPJU-CHWSQXEVSA-N 1 3 285.819 1.304 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000876531325 694847145 /nfs/dbraw/zinc/84/71/45/694847145.db2.gz CIZNXDDYNBWZQD-CYBMUJFWSA-N 1 3 279.771 1.741 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001267046490 1159098382 /nfs/dbraw/zinc/09/83/82/1159098382.db2.gz DPQDQXCNHRGCLU-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCNC1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001670872698 1161144247 /nfs/dbraw/zinc/14/42/47/1161144247.db2.gz ZALUHZDURLYJLJ-UHFFFAOYSA-N 1 3 285.391 1.233 10 30 CDEEHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001656346236 1171811199 /nfs/dbraw/zinc/81/11/99/1171811199.db2.gz QIYCDOSYXWRVLW-SOUVJXGZSA-N 1 3 279.428 1.389 10 30 CDEEHO C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001690866903 1175595324 /nfs/dbraw/zinc/59/53/24/1175595324.db2.gz FFOAVWPPYFCPGU-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001692375489 1175754782 /nfs/dbraw/zinc/75/47/82/1175754782.db2.gz YRVNJMAOZKUQMO-GJZGRUSLSA-N 1 3 291.439 1.580 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001698847380 1175961815 /nfs/dbraw/zinc/96/18/15/1175961815.db2.gz HPSQZNHJJIFTNA-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001700099856 1176745853 /nfs/dbraw/zinc/74/58/53/1176745853.db2.gz RNBAMAZHJGUXGJ-RHSMWYFYSA-N 1 3 299.418 1.538 10 30 CDEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001700099856 1176745861 /nfs/dbraw/zinc/74/58/61/1176745861.db2.gz RNBAMAZHJGUXGJ-RHSMWYFYSA-N 1 3 299.418 1.538 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700187128 1176789258 /nfs/dbraw/zinc/78/92/58/1176789258.db2.gz JLLRYTSWDBEIAA-UHFFFAOYSA-N 1 3 277.412 1.028 10 30 CDEEHO C=CCC[NH+]1CC([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001700546442 1177009066 /nfs/dbraw/zinc/00/90/66/1177009066.db2.gz QMGMPNBOIFXUTI-AWEZNQCLSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001713125329 1178382421 /nfs/dbraw/zinc/38/24/21/1178382421.db2.gz PYUFQWGIVVPTIT-KRWDZBQOSA-N 1 3 299.418 1.479 10 30 CDEEHO CC#CC[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001713287826 1178468134 /nfs/dbraw/zinc/46/81/34/1178468134.db2.gz TVLHKRJDXBJMOH-UHFFFAOYSA-N 1 3 291.439 1.511 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001716075661 1180032950 /nfs/dbraw/zinc/03/29/50/1180032950.db2.gz PHPWOEYBOWNGHO-GJZGRUSLSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001716513705 1180263235 /nfs/dbraw/zinc/26/32/35/1180263235.db2.gz GMTJQRLGMQLMED-HOCLYGCPSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001717886892 1180914189 /nfs/dbraw/zinc/91/41/89/1180914189.db2.gz IUCWEQYYKPOGMQ-GJZGRUSLSA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001717883862 1180912769 /nfs/dbraw/zinc/91/27/69/1180912769.db2.gz FBSLQUKAJNBGET-LSDHHAIUSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001724589129 1181700654 /nfs/dbraw/zinc/70/06/54/1181700654.db2.gz YHXBIRUKXLPPLK-KGLIPLIRSA-N 1 3 279.428 1.341 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001731710258 1182526927 /nfs/dbraw/zinc/52/69/27/1182526927.db2.gz DZHKHPYEVOELDS-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CCN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001732025692 1182728367 /nfs/dbraw/zinc/72/83/67/1182728367.db2.gz FSWFUVGCDZFVGL-HOTGVXAUSA-N 1 3 287.407 1.571 10 30 CDEEHO C=CCN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001732025692 1182728371 /nfs/dbraw/zinc/72/83/71/1182728371.db2.gz FSWFUVGCDZFVGL-HOTGVXAUSA-N 1 3 287.407 1.571 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001732083233 1182757177 /nfs/dbraw/zinc/75/71/77/1182757177.db2.gz GYIBVHMLTISNFS-INIZCTEOSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001732083233 1182757179 /nfs/dbraw/zinc/75/71/79/1182757179.db2.gz GYIBVHMLTISNFS-INIZCTEOSA-N 1 3 293.455 1.829 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC001732231998 1182871362 /nfs/dbraw/zinc/87/13/62/1182871362.db2.gz XMTBQJSKMNJVHX-UHFFFAOYSA-N 1 3 277.412 1.123 10 30 CDEEHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001732310114 1182902057 /nfs/dbraw/zinc/90/20/57/1182902057.db2.gz NCEBFTWJYRPFFK-SHTZXODSSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001732700636 1183091973 /nfs/dbraw/zinc/09/19/73/1183091973.db2.gz COEGYRZXMGDTIE-LBPRGKRZSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001733176532 1183318469 /nfs/dbraw/zinc/31/84/69/1183318469.db2.gz KPKLUTVPNABLET-CQSZACIVSA-N 1 3 279.428 1.531 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001733758798 1183522664 /nfs/dbraw/zinc/52/26/64/1183522664.db2.gz BSJIHZXUNLYUII-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001733758798 1183522669 /nfs/dbraw/zinc/52/26/69/1183522669.db2.gz BSJIHZXUNLYUII-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001734002934 1183611133 /nfs/dbraw/zinc/61/11/33/1183611133.db2.gz BFTLDEJOJSLISY-WDEREUQCSA-N 1 3 264.373 1.320 10 30 CDEEHO C#CCCN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001734153716 1183676905 /nfs/dbraw/zinc/67/69/05/1183676905.db2.gz JUPFUSHGYZBMDZ-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCCN1C[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)C1 ZINC001734153716 1183676906 /nfs/dbraw/zinc/67/69/06/1183676906.db2.gz JUPFUSHGYZBMDZ-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000876973313 723167197 /nfs/dbraw/zinc/16/71/97/723167197.db2.gz DCXJPJSZWSAVKP-GHMZBOCLSA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000876973313 723167200 /nfs/dbraw/zinc/16/72/00/723167200.db2.gz DCXJPJSZWSAVKP-GHMZBOCLSA-N 1 3 259.781 1.057 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849044249 723338442 /nfs/dbraw/zinc/33/84/42/723338442.db2.gz CBZLHRCKJHIONY-IHRRRGAJSA-N 1 3 280.416 1.176 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793080 723482926 /nfs/dbraw/zinc/48/29/26/723482926.db2.gz GJCSMYQDTDHMGV-NSHDSACASA-N 1 3 271.792 1.058 10 30 CDEEHO C[NH+]=C(NCc1ccn(C)c1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261959864 723072392 /nfs/dbraw/zinc/07/23/92/723072392.db2.gz JVKKOFZEOPOVKF-DZGCQCFKSA-N 1 3 291.443 1.419 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001566905491 1168461963 /nfs/dbraw/zinc/46/19/63/1168461963.db2.gz QKEWGEHOUYJXEY-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001567167406 1168604600 /nfs/dbraw/zinc/60/46/00/1168604600.db2.gz OHKXTFQDLCBULO-CABCVRRESA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CC[C@H](C)F)CC1 ZINC001567324317 1168680098 /nfs/dbraw/zinc/68/00/98/1168680098.db2.gz JWMFXJOHSZTHTI-AWEZNQCLSA-N 1 3 297.418 1.128 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CC[C@H](C)F)CC1 ZINC001567324317 1168680102 /nfs/dbraw/zinc/68/01/02/1168680102.db2.gz JWMFXJOHSZTHTI-AWEZNQCLSA-N 1 3 297.418 1.128 10 30 CDEEHO C=CC[N@H+](CC)CCNC(=O)CN(C)CC(C)(C)C ZINC001567347571 1168694690 /nfs/dbraw/zinc/69/46/90/1168694690.db2.gz HZUSRBYZECVNTE-UHFFFAOYSA-N 1 3 269.433 1.588 10 30 CDEEHO C=CC[N@@H+](CC)CCNC(=O)CN(C)CC(C)(C)C ZINC001567347571 1168694692 /nfs/dbraw/zinc/69/46/92/1168694692.db2.gz HZUSRBYZECVNTE-UHFFFAOYSA-N 1 3 269.433 1.588 10 30 CDEEHO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001267217421 897181255 /nfs/dbraw/zinc/18/12/55/897181255.db2.gz GOCHEMMPRVJWRN-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001267217421 897181266 /nfs/dbraw/zinc/18/12/66/897181266.db2.gz GOCHEMMPRVJWRN-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CCN1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267301680 897522218 /nfs/dbraw/zinc/52/22/18/897522218.db2.gz DHRVZKSNPAWZBO-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267305748 897542231 /nfs/dbraw/zinc/54/22/31/897542231.db2.gz CGCHUSXOAWGCBK-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267305748 897542236 /nfs/dbraw/zinc/54/22/36/897542236.db2.gz CGCHUSXOAWGCBK-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001268247455 901658288 /nfs/dbraw/zinc/65/82/88/901658288.db2.gz LXMLVOQRIRYVQI-OAHLLOKOSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001268247455 901658295 /nfs/dbraw/zinc/65/82/95/901658295.db2.gz LXMLVOQRIRYVQI-OAHLLOKOSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268253227 901674699 /nfs/dbraw/zinc/67/46/99/901674699.db2.gz MYFFMOHIADUYGO-UHFFFAOYSA-N 1 3 289.423 1.938 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1CC ZINC001269180536 903510644 /nfs/dbraw/zinc/51/06/44/903510644.db2.gz DUKJAKAAXHVYQD-HIFRSBDPSA-N 1 3 288.395 1.192 10 30 CDEEHO CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](CC)N(C)C ZINC001482397069 905295214 /nfs/dbraw/zinc/29/52/14/905295214.db2.gz SKPFSEYALDISRT-HUUCEWRRSA-N 1 3 281.444 1.470 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482887334 908460471 /nfs/dbraw/zinc/46/04/71/908460471.db2.gz AEJQUYKJUVUTAE-QWHCGFSZSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482887334 908460481 /nfs/dbraw/zinc/46/04/81/908460481.db2.gz AEJQUYKJUVUTAE-QWHCGFSZSA-N 1 3 287.835 1.565 10 30 CDEEHO C=CC[N@@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001483347364 910946653 /nfs/dbraw/zinc/94/66/53/910946653.db2.gz JDBOSLCXBPULTA-LBPRGKRZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[N@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001483347364 910946666 /nfs/dbraw/zinc/94/66/66/910946666.db2.gz JDBOSLCXBPULTA-LBPRGKRZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001484378289 915692260 /nfs/dbraw/zinc/69/22/60/915692260.db2.gz WOUUXKQXOFTEKJ-CABCVRRESA-N 1 3 295.471 1.834 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCC1 ZINC001484663105 916011727 /nfs/dbraw/zinc/01/17/27/916011727.db2.gz HRRPUGLWUFVXLC-OKILXGFUSA-N 1 3 277.412 1.121 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001484941520 916299508 /nfs/dbraw/zinc/29/95/08/916299508.db2.gz IOXRSHHMXBAZHM-LSDHHAIUSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001484941520 916299527 /nfs/dbraw/zinc/29/95/27/916299527.db2.gz IOXRSHHMXBAZHM-LSDHHAIUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001485961924 920633096 /nfs/dbraw/zinc/63/30/96/920633096.db2.gz VCUGUMMMUPMWHV-ZDUSSCGKSA-N 1 3 255.406 1.339 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001568379200 1169268258 /nfs/dbraw/zinc/26/82/58/1169268258.db2.gz OKCCIDCBDFOEIF-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001489350059 926877599 /nfs/dbraw/zinc/87/75/99/926877599.db2.gz NXQRWSMPQKNOSE-GJZGRUSLSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001489350059 926877610 /nfs/dbraw/zinc/87/76/10/926877610.db2.gz NXQRWSMPQKNOSE-GJZGRUSLSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000824100979 931391878 /nfs/dbraw/zinc/39/18/78/931391878.db2.gz AYSISVVBSPTSJM-IYBDPMFKSA-N 1 3 289.423 1.075 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568551716 1169363598 /nfs/dbraw/zinc/36/35/98/1169363598.db2.gz PWZWTSHDLOBRQL-AWEZNQCLSA-N 1 3 269.433 1.539 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001568674298 1169425745 /nfs/dbraw/zinc/42/57/45/1169425745.db2.gz KADHANZWDMKAIZ-QWHCGFSZSA-N 1 3 289.851 1.810 10 30 CDEEHO C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001276588564 940392184 /nfs/dbraw/zinc/39/21/84/940392184.db2.gz JJUGTRKHKGSXEC-HOTGVXAUSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276970058 941750921 /nfs/dbraw/zinc/75/09/21/941750921.db2.gz LQZKOIHUPIUDFS-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276970058 941750924 /nfs/dbraw/zinc/75/09/24/941750924.db2.gz LQZKOIHUPIUDFS-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001316623487 942807327 /nfs/dbraw/zinc/80/73/27/942807327.db2.gz HIOKBIZJTNBYKR-SOUVJXGZSA-N 1 3 279.428 1.389 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001283681630 942967264 /nfs/dbraw/zinc/96/72/64/942967264.db2.gz YCSNTLJESQQVHS-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO C=CC[N@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284958494 943301757 /nfs/dbraw/zinc/30/17/57/943301757.db2.gz XRJIPSFYUDRHNZ-AWEZNQCLSA-N 1 3 277.412 1.263 10 30 CDEEHO C=CC[N@@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284958494 943301764 /nfs/dbraw/zinc/30/17/64/943301764.db2.gz XRJIPSFYUDRHNZ-AWEZNQCLSA-N 1 3 277.412 1.263 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001277843616 943791348 /nfs/dbraw/zinc/79/13/48/943791348.db2.gz FRLAZZBCIGMRAY-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001264376955 944120277 /nfs/dbraw/zinc/12/02/77/944120277.db2.gz RHBHMULJVYLHHJ-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001264376955 944120280 /nfs/dbraw/zinc/12/02/80/944120280.db2.gz RHBHMULJVYLHHJ-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001277954172 944206660 /nfs/dbraw/zinc/20/66/60/944206660.db2.gz NHQHPIMJJDRPEK-CVEARBPZSA-N 1 3 293.455 1.709 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266029404 944642746 /nfs/dbraw/zinc/64/27/46/944642746.db2.gz PRVSSNNKQCURPX-HUUCEWRRSA-N 1 3 279.428 1.034 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001480046700 971552912 /nfs/dbraw/zinc/55/29/12/971552912.db2.gz LLTMIOCHYBBBJQ-CQSZACIVSA-N 1 3 281.444 1.635 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001480120744 971585536 /nfs/dbraw/zinc/58/55/36/971585536.db2.gz PHBJMGQTWCDYLW-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001480144334 971599525 /nfs/dbraw/zinc/59/95/25/971599525.db2.gz GGCDFRJVSITMII-MGPQQGTHSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001480359887 971686214 /nfs/dbraw/zinc/68/62/14/971686214.db2.gz RJDQWPSCWKHVGB-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001324973679 953663383 /nfs/dbraw/zinc/66/33/83/953663383.db2.gz ZCJGWCPDKPNVJW-GDBMZVCRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001324973679 953663389 /nfs/dbraw/zinc/66/33/89/953663389.db2.gz ZCJGWCPDKPNVJW-GDBMZVCRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001493212387 971986259 /nfs/dbraw/zinc/98/62/59/971986259.db2.gz WFCJRVXWEZEFQZ-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001493212387 971986264 /nfs/dbraw/zinc/98/62/64/971986264.db2.gz WFCJRVXWEZEFQZ-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001327541002 954924680 /nfs/dbraw/zinc/92/46/80/954924680.db2.gz LPSJEFZTYMDCCB-KRWDZBQOSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001327541002 954924685 /nfs/dbraw/zinc/92/46/85/954924685.db2.gz LPSJEFZTYMDCCB-KRWDZBQOSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001493830096 972122968 /nfs/dbraw/zinc/12/29/68/972122968.db2.gz MMYIUAMLEUREEO-AWEZNQCLSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001316737066 956263848 /nfs/dbraw/zinc/26/38/48/956263848.db2.gz FRNAMIMFTUMOQO-QWHCGFSZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317532539 956800311 /nfs/dbraw/zinc/80/03/11/956800311.db2.gz LOFQPFJIZNGQFP-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317532539 956800326 /nfs/dbraw/zinc/80/03/26/956800326.db2.gz LOFQPFJIZNGQFP-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CC[N@H+](C)CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001316825598 957050672 /nfs/dbraw/zinc/05/06/72/957050672.db2.gz TZBDMYOKVMFOOO-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[N@@H+](C)CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001316825598 957050685 /nfs/dbraw/zinc/05/06/85/957050685.db2.gz TZBDMYOKVMFOOO-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001317092905 957265709 /nfs/dbraw/zinc/26/57/09/957265709.db2.gz KDLJIUVBNDBRCB-KKUMJFAQSA-N 1 3 281.444 1.918 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001317194294 957335971 /nfs/dbraw/zinc/33/59/71/957335971.db2.gz WYZXCFPZGGEICF-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317324380 957422870 /nfs/dbraw/zinc/42/28/70/957422870.db2.gz AFQHHUULNFGNSC-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)N(C)C ZINC001318538506 958160832 /nfs/dbraw/zinc/16/08/32/958160832.db2.gz UKJLQSCZZXNQOA-KGLIPLIRSA-N 1 3 269.433 1.633 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001319594975 958646184 /nfs/dbraw/zinc/64/61/84/958646184.db2.gz XUSGAYFHKACERH-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001320819218 959409823 /nfs/dbraw/zinc/40/98/23/959409823.db2.gz HTSCDOJICJQFRP-MRXNPFEDSA-N 1 3 293.455 1.570 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001320819218 959409829 /nfs/dbraw/zinc/40/98/29/959409829.db2.gz HTSCDOJICJQFRP-MRXNPFEDSA-N 1 3 293.455 1.570 10 30 CDEEHO CC#CC[NH2+]CC1(NC(=O)CN(C)CCC)CCCC1 ZINC001495205208 972437222 /nfs/dbraw/zinc/43/72/22/972437222.db2.gz XIZDVLSEXXXHGT-UHFFFAOYSA-N 1 3 279.428 1.370 10 30 CDEEHO CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCCN1CC ZINC001321418750 959774832 /nfs/dbraw/zinc/77/48/32/959774832.db2.gz IMAVBWURRKUXRS-LZNQSLFOSA-N 1 3 277.412 1.146 10 30 CDEEHO C=C(C)C[NH2+]C[C@@](C)(NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001495278590 972464253 /nfs/dbraw/zinc/46/42/53/972464253.db2.gz WWOTUUCWDXOCRY-RHSMWYFYSA-N 1 3 293.455 1.779 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001322243179 960150129 /nfs/dbraw/zinc/15/01/29/960150129.db2.gz CMQVHDATJUCONY-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001322243179 960150133 /nfs/dbraw/zinc/15/01/33/960150133.db2.gz CMQVHDATJUCONY-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001340846231 963153704 /nfs/dbraw/zinc/15/37/04/963153704.db2.gz JYMXSUPADSQTKR-ZOBORPQBSA-N 1 3 279.428 1.563 10 30 CDEEHO C=CCN1CCC(NC(=O)C2=CCC[NH2+]CC2)CC1 ZINC001340852023 963156153 /nfs/dbraw/zinc/15/61/53/963156153.db2.gz CLHAYPXNPXXWQB-UHFFFAOYSA-N 1 3 263.385 1.063 10 30 CDEEHO C=CCN1CCC(NC(=O)c2ccccc2C[NH3+])CC1 ZINC001343423308 963978663 /nfs/dbraw/zinc/97/86/63/963978663.db2.gz GOZXFRPNAGXSHY-UHFFFAOYSA-N 1 3 273.380 1.526 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001371618041 972568469 /nfs/dbraw/zinc/56/84/69/972568469.db2.gz QXUSDNHHCHAKEZ-OCCSQVGLSA-N 1 3 299.846 1.519 10 30 CDEEHO C=C(Cl)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001496626118 972998130 /nfs/dbraw/zinc/99/81/30/972998130.db2.gz DLVBBBSAIWOFRX-ZDUSSCGKSA-N 1 3 299.846 1.565 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCC1 ZINC001501988433 974669457 /nfs/dbraw/zinc/66/94/57/974669457.db2.gz JLRZVEUIUUZBMX-UHFFFAOYSA-N 1 3 279.428 1.675 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001502345501 974721221 /nfs/dbraw/zinc/72/12/21/974721221.db2.gz FVVYNTNDSOFMBI-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001506001423 975079141 /nfs/dbraw/zinc/07/91/41/975079141.db2.gz AFBXRADNTWWQSR-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO C#CCC[N@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001506001423 975079143 /nfs/dbraw/zinc/07/91/43/975079143.db2.gz AFBXRADNTWWQSR-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001677033028 1174308730 /nfs/dbraw/zinc/30/87/30/1174308730.db2.gz QMWOTRATRDGWHW-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN(C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001677198979 1174331905 /nfs/dbraw/zinc/33/19/05/1174331905.db2.gz NTOGMWDGPIEBGI-MRXNPFEDSA-N 1 3 293.455 1.683 10 30 CDEEHO C#CCN1CCC([C@H](C)NC(=O)CCCC[NH+](C)C)CC1 ZINC001677368004 1174354101 /nfs/dbraw/zinc/35/41/01/1174354101.db2.gz SHRTZSCBKGRUTG-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001570398254 1170152327 /nfs/dbraw/zinc/15/23/27/1170152327.db2.gz ZAHCKIRPZKXAKS-HUUCEWRRSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001570398254 1170152329 /nfs/dbraw/zinc/15/23/29/1170152329.db2.gz ZAHCKIRPZKXAKS-HUUCEWRRSA-N 1 3 295.471 1.975 10 30 CDEEHO C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001570573287 1170193824 /nfs/dbraw/zinc/19/38/24/1170193824.db2.gz PIFVAAUKXBGHLS-NRXISQOPSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001571488707 1170452154 /nfs/dbraw/zinc/45/21/54/1170452154.db2.gz GYXYSGDRHHZICP-HOTGVXAUSA-N 1 3 291.439 1.321 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000594427597 342897068 /nfs/dbraw/zinc/89/70/68/342897068.db2.gz VEVXWLAXPWWPDV-ZDUSSCGKSA-N 1 3 260.341 1.495 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000594435508 342898802 /nfs/dbraw/zinc/89/88/02/342898802.db2.gz GNZCMQSCVPPUIC-OLZOCXBDSA-N 1 3 266.389 1.046 10 30 CDEEHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594438900 342906491 /nfs/dbraw/zinc/90/64/91/342906491.db2.gz MTRMSRGWSPHPLJ-CABCVRRESA-N 1 3 294.443 1.588 10 30 CDEEHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594438900 342906492 /nfs/dbraw/zinc/90/64/92/342906492.db2.gz MTRMSRGWSPHPLJ-CABCVRRESA-N 1 3 294.443 1.588 10 30 CDEEHO CC[NH+]1CCC(N(C)C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594440531 342907070 /nfs/dbraw/zinc/90/70/70/342907070.db2.gz DWKQJBBDDMLGRL-CQSZACIVSA-N 1 3 280.416 1.340 10 30 CDEEHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C[C@H]1C ZINC000594440093 342907087 /nfs/dbraw/zinc/90/70/87/342907087.db2.gz ZKSLXUYXQKWTSU-ILXRZTDVSA-N 1 3 294.443 1.729 10 30 CDEEHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C[C@H]1C ZINC000594440093 342907088 /nfs/dbraw/zinc/90/70/88/342907088.db2.gz ZKSLXUYXQKWTSU-ILXRZTDVSA-N 1 3 294.443 1.729 10 30 CDEEHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594441256 342907390 /nfs/dbraw/zinc/90/73/90/342907390.db2.gz PXCOVNXGLHFOHY-HNNXBMFYSA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H](N)CCCCC#N ZINC000594441864 342907835 /nfs/dbraw/zinc/90/78/35/342907835.db2.gz XLPSIKODBBTZBY-KBPBESRZSA-N 1 3 280.416 1.388 10 30 CDEEHO C[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCCC#N ZINC000594444840 342908415 /nfs/dbraw/zinc/90/84/15/342908415.db2.gz ZCRCTVMMZUHIPX-NEPJUHHUSA-N 1 3 254.378 1.031 10 30 CDEEHO C[C@@H](CNC[C@@H](O)CC1(C#N)CC1)C[NH+]1CCCC1 ZINC000600717256 342244289 /nfs/dbraw/zinc/24/42/89/342244289.db2.gz PRSJHSATCZAQQN-KBPBESRZSA-N 1 3 265.401 1.363 10 30 CDEEHO C[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)CN1CCCC1 ZINC000600717256 342244290 /nfs/dbraw/zinc/24/42/90/342244290.db2.gz PRSJHSATCZAQQN-KBPBESRZSA-N 1 3 265.401 1.363 10 30 CDEEHO C[NH+](C)[C@H]1C[C@@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000594556744 342915834 /nfs/dbraw/zinc/91/58/34/342915834.db2.gz QNMAOWMZRURJMS-CFVMTHIKSA-N 1 3 286.379 1.014 10 30 CDEEHO Cc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1C#N ZINC000600712301 349876789 /nfs/dbraw/zinc/87/67/89/349876789.db2.gz WRVPGAITWSIVME-KRWDZBQOSA-N 1 3 284.407 1.346 10 30 CDEEHO C[NH+](C)CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349848287 360948860 /nfs/dbraw/zinc/94/88/60/360948860.db2.gz AETCVJUIDRTZOD-MRXNPFEDSA-N 1 3 298.390 1.699 10 30 CDEEHO C=CCN1CC[C@H](N2CCC3(C2)CC[NH+](C)CC3)C1=O ZINC000639754554 364747051 /nfs/dbraw/zinc/74/70/51/364747051.db2.gz CESXYEMJVRTQHN-AWEZNQCLSA-N 1 3 277.412 1.191 10 30 CDEEHO C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC1CC[NH+](CC)CC1 ZINC000662081522 414502934 /nfs/dbraw/zinc/50/29/34/414502934.db2.gz UHDLQGWJENSGHG-IYBDPMFKSA-N 1 3 291.439 1.770 10 30 CDEEHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(C#CCN)s1 ZINC000043684112 175092768 /nfs/dbraw/zinc/09/27/68/175092768.db2.gz XIBRSZSZMNTLRE-NEPJUHHUSA-N 1 3 291.420 1.144 10 30 CDEEHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(C#CCN)s1 ZINC000043684112 175092771 /nfs/dbraw/zinc/09/27/71/175092771.db2.gz XIBRSZSZMNTLRE-NEPJUHHUSA-N 1 3 291.420 1.144 10 30 CDEEHO CC(C)N[C@@](C)(C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000045182213 175325785 /nfs/dbraw/zinc/32/57/85/175325785.db2.gz BTELJMQURYGEIY-MRXNPFEDSA-N 1 3 280.460 1.930 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001667494124 1173274871 /nfs/dbraw/zinc/27/48/71/1173274871.db2.gz RXCHJQDOIPTUMS-STQMWFEESA-N 1 3 255.406 1.243 10 30 CDEEHO C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001673491244 1173864447 /nfs/dbraw/zinc/86/44/47/1173864447.db2.gz HDBJZRAFWWAQBG-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001673491244 1173864449 /nfs/dbraw/zinc/86/44/49/1173864449.db2.gz HDBJZRAFWWAQBG-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001734040441 1183630689 /nfs/dbraw/zinc/63/06/89/1183630689.db2.gz GMGJHHYGVGNZJV-LBPRGKRZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[N@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001734040441 1183630694 /nfs/dbraw/zinc/63/06/94/1183630694.db2.gz GMGJHHYGVGNZJV-LBPRGKRZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941157722 613743725 /nfs/dbraw/zinc/74/37/25/613743725.db2.gz FSCZWXIKVJGPHX-HUUCEWRRSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941157722 613743729 /nfs/dbraw/zinc/74/37/29/613743729.db2.gz FSCZWXIKVJGPHX-HUUCEWRRSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000876883137 695362744 /nfs/dbraw/zinc/36/27/44/695362744.db2.gz ACVFOXSKCBRBPX-WOPDTQHZSA-N 1 3 271.792 1.151 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000876883137 695362747 /nfs/dbraw/zinc/36/27/47/695362747.db2.gz ACVFOXSKCBRBPX-WOPDTQHZSA-N 1 3 271.792 1.151 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001691128653 1158923791 /nfs/dbraw/zinc/92/37/91/1158923791.db2.gz PWIUQKUZUUEWAP-OKILXGFUSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001266896391 1158967733 /nfs/dbraw/zinc/96/77/33/1158967733.db2.gz AMHCLFTVWLTXQG-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001266896391 1158967739 /nfs/dbraw/zinc/96/77/39/1158967739.db2.gz AMHCLFTVWLTXQG-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000876922469 695587031 /nfs/dbraw/zinc/58/70/31/695587031.db2.gz AKWZHJWPERFNMX-QWHCGFSZSA-N 1 3 299.846 1.693 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001270136932 1160094010 /nfs/dbraw/zinc/09/40/10/1160094010.db2.gz SGTVOSJZRYYBOU-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000876876866 1165932008 /nfs/dbraw/zinc/93/20/08/1165932008.db2.gz WFVRNNLSHJRUTJ-WCQYABFASA-N 1 3 287.835 1.645 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001569039191 1169608330 /nfs/dbraw/zinc/60/83/30/1169608330.db2.gz ZUTXLJDPWPIUSO-CABCVRRESA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001650413570 1171041414 /nfs/dbraw/zinc/04/14/14/1171041414.db2.gz XKJLPNNGGJPYSK-GVXVVHGQSA-N 1 3 271.792 1.186 10 30 CDEEHO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001675832325 1174152587 /nfs/dbraw/zinc/15/25/87/1174152587.db2.gz JTQAADHHPTVXSE-RBSFLKMASA-N 1 3 279.428 1.531 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001690755491 1175565674 /nfs/dbraw/zinc/56/56/74/1175565674.db2.gz HKPPJHPXGNYTLO-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)Cc1c[nH]cn1 ZINC001698997083 1176026239 /nfs/dbraw/zinc/02/62/39/1176026239.db2.gz JLCRXVSTTJQDOI-CYBMUJFWSA-N 1 3 278.400 1.697 10 30 CDEEHO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)Cc1c[nH]cn1 ZINC001698997083 1176026245 /nfs/dbraw/zinc/02/62/45/1176026245.db2.gz JLCRXVSTTJQDOI-CYBMUJFWSA-N 1 3 278.400 1.697 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001699011915 1176039828 /nfs/dbraw/zinc/03/98/28/1176039828.db2.gz ARVXFFVFTIPEAY-HUUCEWRRSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699310481 1176211693 /nfs/dbraw/zinc/21/16/93/1176211693.db2.gz YKQHDIKAHBURNC-FYCOFBDGSA-N 1 3 295.402 1.094 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001699310481 1176211703 /nfs/dbraw/zinc/21/17/03/1176211703.db2.gz YKQHDIKAHBURNC-FYCOFBDGSA-N 1 3 295.402 1.094 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001700180914 1176785006 /nfs/dbraw/zinc/78/50/06/1176785006.db2.gz LIDCTQRCCJIGER-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001700180914 1176785010 /nfs/dbraw/zinc/78/50/10/1176785010.db2.gz LIDCTQRCCJIGER-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001700281995 1176831151 /nfs/dbraw/zinc/83/11/51/1176831151.db2.gz LNNUXYLCDUMECM-OAHLLOKOSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001700477333 1176964876 /nfs/dbraw/zinc/96/48/76/1176964876.db2.gz QNUZWOQGTIRMQL-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001700477333 1176964883 /nfs/dbraw/zinc/96/48/83/1176964883.db2.gz QNUZWOQGTIRMQL-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001700477330 1176965749 /nfs/dbraw/zinc/96/57/49/1176965749.db2.gz QNUZWOQGTIRMQL-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001700477330 1176965752 /nfs/dbraw/zinc/96/57/52/1176965752.db2.gz QNUZWOQGTIRMQL-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCN1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001701062559 1177262224 /nfs/dbraw/zinc/26/22/24/1177262224.db2.gz FWCFIGQGGUZVMZ-GJZGRUSLSA-N 1 3 291.439 1.794 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001713121668 1178379398 /nfs/dbraw/zinc/37/93/98/1178379398.db2.gz MIWWWUGXOKUSCE-GOEBONIOSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)C[NH+]1CCC(N(C)C(=O)CN(C)CCC)CC1 ZINC001713785718 1178751483 /nfs/dbraw/zinc/75/14/83/1178751483.db2.gz MUSVOBXYFGUJAO-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO CC#CC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001714475522 1179160130 /nfs/dbraw/zinc/16/01/30/1179160130.db2.gz POGXFGNDFHYNRH-KGLIPLIRSA-N 1 3 267.417 1.080 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001714778550 1179392546 /nfs/dbraw/zinc/39/25/46/1179392546.db2.gz VVSHXFHQWQMDBH-GFCCVEGCSA-N 1 3 264.373 1.355 10 30 CDEEHO C#CC[NH2+][C@@H](CC)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001715076551 1179541363 /nfs/dbraw/zinc/54/13/63/1179541363.db2.gz SZUIVDVIUFTWLS-GJZGRUSLSA-N 1 3 279.428 1.369 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001716983961 1180491396 /nfs/dbraw/zinc/49/13/96/1180491396.db2.gz AGPSDTVBVLYLMH-LSDHHAIUSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001717110166 1180533139 /nfs/dbraw/zinc/53/31/39/1180533139.db2.gz BXGFPNAYSKBTMZ-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001723302178 1181535373 /nfs/dbraw/zinc/53/53/73/1181535373.db2.gz RMUYUTWRMQIEKG-HUUCEWRRSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001733533315 1183458663 /nfs/dbraw/zinc/45/86/63/1183458663.db2.gz KBQYKUHVHJDQKI-HOTGVXAUSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001733675409 1183494493 /nfs/dbraw/zinc/49/44/93/1183494493.db2.gz BEANLEBGAYNVAC-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001733759956 1183521992 /nfs/dbraw/zinc/52/19/92/1183521992.db2.gz IPGTXOWGJHXTOP-LSDHHAIUSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001733759956 1183521997 /nfs/dbraw/zinc/52/19/97/1183521997.db2.gz IPGTXOWGJHXTOP-LSDHHAIUSA-N 1 3 299.434 1.823 10 30 CDEEHO CC#CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001733853746 1183551626 /nfs/dbraw/zinc/55/16/26/1183551626.db2.gz OEHXUROZZQQINO-JKSUJKDBSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001734498978 1183800774 /nfs/dbraw/zinc/80/07/74/1183800774.db2.gz AGHHBVKGJTXLOL-LSDHHAIUSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC[C@H]1CCC ZINC000876798482 724406060 /nfs/dbraw/zinc/40/60/60/724406060.db2.gz ZUKCLDRJYLWYLP-GHMZBOCLSA-N 1 3 259.781 1.057 10 30 CDEEHO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262014052 723712143 /nfs/dbraw/zinc/71/21/43/723712143.db2.gz XGDCIVDTCOFLHG-UMSGYPCISA-N 1 3 252.406 1.289 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000876763459 723814760 /nfs/dbraw/zinc/81/47/60/723814760.db2.gz OGRWMEQTYRUNHA-STQMWFEESA-N 1 3 287.835 1.550 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000876763459 723814762 /nfs/dbraw/zinc/81/47/62/723814762.db2.gz OGRWMEQTYRUNHA-STQMWFEESA-N 1 3 287.835 1.550 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000876956174 724014180 /nfs/dbraw/zinc/01/41/80/724014180.db2.gz FRXXAPAACHQDQM-KGLIPLIRSA-N 1 3 299.846 1.695 10 30 CDEEHO C[NH+]=C(NC[C@@H]1CCOC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000261614494 724125048 /nfs/dbraw/zinc/12/50/48/724125048.db2.gz BCIZFLAMYNVSNI-LSDHHAIUSA-N 1 3 294.443 1.159 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877249308 724461749 /nfs/dbraw/zinc/46/17/49/724461749.db2.gz ITCLSNBMTJPUQP-SDDRHHMPSA-N 1 3 271.792 1.009 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877249308 724461759 /nfs/dbraw/zinc/46/17/59/724461759.db2.gz ITCLSNBMTJPUQP-SDDRHHMPSA-N 1 3 271.792 1.009 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000876982047 725415600 /nfs/dbraw/zinc/41/56/00/725415600.db2.gz UMKZTWHMWMQBBH-CQSZACIVSA-N 1 3 299.846 1.695 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)CC1 ZINC000824083748 724762337 /nfs/dbraw/zinc/76/23/37/724762337.db2.gz BXNPXDCKOLUWFN-GJZGRUSLSA-N 1 3 291.439 1.177 10 30 CDEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C#CC(C)(C)C ZINC000855345656 723778478 /nfs/dbraw/zinc/77/84/78/723778478.db2.gz FAPNIPNSHWIDFB-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C#CC(C)(C)C ZINC000855345656 723778480 /nfs/dbraw/zinc/77/84/80/723778480.db2.gz FAPNIPNSHWIDFB-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000876956907 724171348 /nfs/dbraw/zinc/17/13/48/724171348.db2.gz RJMZDXHJHRHHTP-RWMBFGLXSA-N 1 3 285.819 1.589 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000876956907 724171349 /nfs/dbraw/zinc/17/13/49/724171349.db2.gz RJMZDXHJHRHHTP-RWMBFGLXSA-N 1 3 285.819 1.589 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000876716540 725185400 /nfs/dbraw/zinc/18/54/00/725185400.db2.gz HGYUKHWAIZNUPI-LBPRGKRZSA-N 1 3 273.808 1.399 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000876730774 725205834 /nfs/dbraw/zinc/20/58/34/725205834.db2.gz AFFZWVKCLBZNIP-CYBMUJFWSA-N 1 3 287.835 1.789 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000876533305 725418015 /nfs/dbraw/zinc/41/80/15/725418015.db2.gz HUVWLZMVCHZBPF-AXFHLTTASA-N 1 3 259.781 1.042 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@H]2NCCc3ccccc32)CCC[NH2+]1 ZINC000852879586 725419888 /nfs/dbraw/zinc/41/98/88/725419888.db2.gz FROZUGLQCOWOOB-AEFFLSMTSA-N 1 3 299.418 1.688 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872277046 725507327 /nfs/dbraw/zinc/50/73/27/725507327.db2.gz OBXVASQKKCGDER-MNOVXSKESA-N 1 3 273.808 1.351 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001567155123 1168600640 /nfs/dbraw/zinc/60/06/40/1168600640.db2.gz MEYBAJHJAXAUEM-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567201756 1168615829 /nfs/dbraw/zinc/61/58/29/1168615829.db2.gz HNOXPXCDVGVPMV-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567201756 1168615833 /nfs/dbraw/zinc/61/58/33/1168615833.db2.gz HNOXPXCDVGVPMV-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCCN1CC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001282737378 894750153 /nfs/dbraw/zinc/75/01/53/894750153.db2.gz AMSZTTXLXGPKPS-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266560751 895362222 /nfs/dbraw/zinc/36/22/22/895362222.db2.gz VKGYXPCLAYDQFP-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266560751 895362237 /nfs/dbraw/zinc/36/22/37/895362237.db2.gz VKGYXPCLAYDQFP-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001267317201 897575572 /nfs/dbraw/zinc/57/55/72/897575572.db2.gz RDXOWHSEAIJWRQ-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CCCC)CC1 ZINC001267831364 899833005 /nfs/dbraw/zinc/83/30/05/899833005.db2.gz QBJRBIXQODKTAP-MRXNPFEDSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001481340045 900453183 /nfs/dbraw/zinc/45/31/83/900453183.db2.gz OFVCQBBXBVIZDB-HIFRSBDPSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001481453900 900722738 /nfs/dbraw/zinc/72/27/38/900722738.db2.gz PJVOZTLIUSRQID-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001481453900 900722743 /nfs/dbraw/zinc/72/27/43/900722743.db2.gz PJVOZTLIUSRQID-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001269296383 903670750 /nfs/dbraw/zinc/67/07/50/903670750.db2.gz MXLHRKDVWBCWHP-MRXNPFEDSA-N 1 3 293.455 1.971 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001482434028 905396571 /nfs/dbraw/zinc/39/65/71/905396571.db2.gz NDMZEXIMIOIGQK-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483227810 910292251 /nfs/dbraw/zinc/29/22/51/910292251.db2.gz UZQYMTWCIWYONK-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO CC#CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001568113659 1169138141 /nfs/dbraw/zinc/13/81/41/1169138141.db2.gz RNVKHKVKMOUBSR-HDJSIYSDSA-N 1 3 288.395 1.301 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001484382524 915699805 /nfs/dbraw/zinc/69/98/05/915699805.db2.gz IXQOULYIYFFONF-CABCVRRESA-N 1 3 281.444 1.588 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001484637874 915989170 /nfs/dbraw/zinc/98/91/70/915989170.db2.gz UVIXZIQPUQMOOS-UHFFFAOYSA-N 1 3 279.428 1.675 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]C(C)C)CC1 ZINC001485230244 916683308 /nfs/dbraw/zinc/68/33/08/916683308.db2.gz RMXHJBYHMLLKIK-UONOGXRCSA-N 1 3 279.428 1.223 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]C(C)C)CC1 ZINC001485230245 916683611 /nfs/dbraw/zinc/68/36/11/916683611.db2.gz RMXHJBYHMLLKIK-ZIAGYGMSSA-N 1 3 279.428 1.223 10 30 CDEEHO CC#CCN1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001486159128 920762416 /nfs/dbraw/zinc/76/24/16/920762416.db2.gz CMPVHHZEARSUGL-RDJZCZTQSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCN1CC[C@@]2(NC(=O)CC[N@H+](C)CC)CCC[C@H]12 ZINC001486159128 920762428 /nfs/dbraw/zinc/76/24/28/920762428.db2.gz CMPVHHZEARSUGL-RDJZCZTQSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001488683888 926647233 /nfs/dbraw/zinc/64/72/33/926647233.db2.gz PBUDIORITCOOPO-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001488683888 926647236 /nfs/dbraw/zinc/64/72/36/926647236.db2.gz PBUDIORITCOOPO-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001274345762 931492916 /nfs/dbraw/zinc/49/29/16/931492916.db2.gz YSOOODJOTQTTKG-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001281745346 942616612 /nfs/dbraw/zinc/61/66/12/942616612.db2.gz VSPXKIVQLHFWCZ-QWHCGFSZSA-N 1 3 255.406 1.243 10 30 CDEEHO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001282400405 942706557 /nfs/dbraw/zinc/70/65/57/942706557.db2.gz YHPTXGZJAQRTII-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001282400405 942706558 /nfs/dbraw/zinc/70/65/58/942706558.db2.gz YHPTXGZJAQRTII-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001282833233 942756284 /nfs/dbraw/zinc/75/62/84/942756284.db2.gz KDIIVYAQTYSLSD-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001283680408 942966574 /nfs/dbraw/zinc/96/65/74/942966574.db2.gz PGVYSJPQIRQZEQ-GFCCVEGCSA-N 1 3 264.373 1.355 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001277866101 943898916 /nfs/dbraw/zinc/89/89/16/943898916.db2.gz OZIUXTIOUDEEQE-ZDUSSCGKSA-N 1 3 265.401 1.237 10 30 CDEEHO C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001264566807 944149380 /nfs/dbraw/zinc/14/93/80/944149380.db2.gz IOGQCYSTHKLABW-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCCN1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001265319833 944342429 /nfs/dbraw/zinc/34/24/29/944342429.db2.gz SJAKQKFHKZRVRG-INIZCTEOSA-N 1 3 291.439 1.466 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001265782420 944507338 /nfs/dbraw/zinc/50/73/38/944507338.db2.gz XQWCSCHICCHNJN-GJZGRUSLSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001266011438 944627353 /nfs/dbraw/zinc/62/73/53/944627353.db2.gz WDVBHJLUHIURJL-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261552309 946171279 /nfs/dbraw/zinc/17/12/79/946171279.db2.gz OFXQAIJMETWLRD-AWEZNQCLSA-N 1 3 292.427 1.390 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001479774927 971411302 /nfs/dbraw/zinc/41/13/02/971411302.db2.gz KCTYCQMOXOUZQV-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001479774927 971411308 /nfs/dbraw/zinc/41/13/08/971411308.db2.gz KCTYCQMOXOUZQV-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001480578582 971792905 /nfs/dbraw/zinc/79/29/05/971792905.db2.gz BASUGMNKDRIZBZ-LLVKDONJSA-N 1 3 264.373 1.321 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001569139441 1169684202 /nfs/dbraw/zinc/68/42/02/1169684202.db2.gz NUDDZOFHMVCHLJ-STQMWFEESA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001569139441 1169684206 /nfs/dbraw/zinc/68/42/06/1169684206.db2.gz NUDDZOFHMVCHLJ-STQMWFEESA-N 1 3 255.406 1.339 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001316642786 953727462 /nfs/dbraw/zinc/72/74/62/953727462.db2.gz WALQXLOCVSAPBT-KLHDSHLOSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001569172828 1169702179 /nfs/dbraw/zinc/70/21/79/1169702179.db2.gz ACLBSOISXBIEPF-HOTGVXAUSA-N 1 3 293.455 1.615 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001491873215 955486930 /nfs/dbraw/zinc/48/69/30/955486930.db2.gz CPVZUCGINAFNPX-HUUCEWRRSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001316773554 957006041 /nfs/dbraw/zinc/00/60/41/957006041.db2.gz WNQKVFXDXFZTKI-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001317206052 957340854 /nfs/dbraw/zinc/34/08/54/957340854.db2.gz RANQLDRWCNGLAO-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001317206052 957340862 /nfs/dbraw/zinc/34/08/62/957340862.db2.gz RANQLDRWCNGLAO-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001317305903 957414324 /nfs/dbraw/zinc/41/43/24/957414324.db2.gz PJZXJCGDISISGQ-GJZGRUSLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001317350213 957433679 /nfs/dbraw/zinc/43/36/79/957433679.db2.gz KDCZSPDSMLRWIB-KGLIPLIRSA-N 1 3 277.412 1.121 10 30 CDEEHO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001317448113 957481243 /nfs/dbraw/zinc/48/12/43/957481243.db2.gz FJIOQDOOGBSFQN-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001317448113 957481250 /nfs/dbraw/zinc/48/12/50/957481250.db2.gz FJIOQDOOGBSFQN-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCCN1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494633176 972273612 /nfs/dbraw/zinc/27/36/12/972273612.db2.gz OIYDYTUEYCIPSY-INIZCTEOSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CC[N@@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001317869600 957703596 /nfs/dbraw/zinc/70/35/96/957703596.db2.gz DRWFJBFMYFVBMC-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001317869600 957703611 /nfs/dbraw/zinc/70/36/11/957703611.db2.gz DRWFJBFMYFVBMC-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001318525148 958155035 /nfs/dbraw/zinc/15/50/35/958155035.db2.gz URCAOLCUMRNDCC-LSDHHAIUSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001319621583 958657759 /nfs/dbraw/zinc/65/77/59/958657759.db2.gz XNBDFTVWXTYJOZ-CQSZACIVSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCCN1CC ZINC001321419332 959775054 /nfs/dbraw/zinc/77/50/54/959775054.db2.gz OVTLZHRWCWTMPA-LQYUOIDQSA-N 1 3 279.428 1.699 10 30 CDEEHO C#CCNC(=O)CCNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001335452130 959810677 /nfs/dbraw/zinc/81/06/77/959810677.db2.gz OKBFIPOOQVQEKG-SJORKVTESA-N 1 3 299.418 1.061 10 30 CDEEHO C#CCNC(=O)CCNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001335452130 959810686 /nfs/dbraw/zinc/81/06/86/959810686.db2.gz OKBFIPOOQVQEKG-SJORKVTESA-N 1 3 299.418 1.061 10 30 CDEEHO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C ZINC001420170933 962520806 /nfs/dbraw/zinc/52/08/06/962520806.db2.gz ZKUSFVCNGIZGDG-GFCCVEGCSA-N 1 3 275.824 1.564 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001342477597 963748186 /nfs/dbraw/zinc/74/81/86/963748186.db2.gz YGSVMAMLUOWCFE-KXUCPTDWSA-N 1 3 279.306 1.018 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC001344411814 964301206 /nfs/dbraw/zinc/30/12/06/964301206.db2.gz XTPCTLMHTRXBGY-CVEARBPZSA-N 1 3 289.423 1.746 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001344409973 964301713 /nfs/dbraw/zinc/30/17/13/964301713.db2.gz BFYHJLAVIQJBNY-OLZOCXBDSA-N 1 3 267.417 1.564 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001344549304 964351013 /nfs/dbraw/zinc/35/10/13/964351013.db2.gz ZAYBRQRBMMIGHU-CHWSQXEVSA-N 1 3 253.390 1.271 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001346497086 965143799 /nfs/dbraw/zinc/14/37/99/965143799.db2.gz YTUPNWHDNGVBQC-KGLIPLIRSA-N 1 3 267.417 1.566 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497414301 973337166 /nfs/dbraw/zinc/33/71/66/973337166.db2.gz LBJGCFQDLVTTRO-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497414301 973337177 /nfs/dbraw/zinc/33/71/77/973337177.db2.gz LBJGCFQDLVTTRO-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498401555 973891268 /nfs/dbraw/zinc/89/12/68/973891268.db2.gz ZRBLNJASDYBFGS-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCCC1 ZINC001506530468 975174119 /nfs/dbraw/zinc/17/41/19/975174119.db2.gz MLDRCUTZTLKAJC-UHFFFAOYSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[NH+]1CCC([C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001508082794 975601859 /nfs/dbraw/zinc/60/18/59/975601859.db2.gz KYMJPXKCFFPXGU-AWEZNQCLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001569968495 1170050142 /nfs/dbraw/zinc/05/01/42/1170050142.db2.gz JXYIVHMQOKFBDS-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)CCC)CCO1 ZINC001571002670 1170328969 /nfs/dbraw/zinc/32/89/69/1170328969.db2.gz SEXYWGVIEBLIIP-CABCVRRESA-N 1 3 297.443 1.110 10 30 CDEEHO C#CC[NH2+][C@H](CCNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001571351220 1170379662 /nfs/dbraw/zinc/37/96/62/1170379662.db2.gz LPDXXGQPCIPWHD-OAHLLOKOSA-N 1 3 295.471 1.718 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1CC ZINC001656749146 1171870265 /nfs/dbraw/zinc/87/02/65/1171870265.db2.gz NPKOADRGJNZEJA-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1CC ZINC001656749146 1171870275 /nfs/dbraw/zinc/87/02/75/1171870275.db2.gz NPKOADRGJNZEJA-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594438041 342905855 /nfs/dbraw/zinc/90/58/55/342905855.db2.gz MIUAZXVGXQONOM-HUUCEWRRSA-N 1 3 294.443 1.778 10 30 CDEEHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594438041 342905856 /nfs/dbraw/zinc/90/58/56/342905856.db2.gz MIUAZXVGXQONOM-HUUCEWRRSA-N 1 3 294.443 1.778 10 30 CDEEHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)[C@H](C)C1 ZINC000594439642 342906690 /nfs/dbraw/zinc/90/66/90/342906690.db2.gz TZYJFZPZGKVFGJ-ILXRZTDVSA-N 1 3 294.443 1.586 10 30 CDEEHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)[C@H](C)C1 ZINC000594439642 342906692 /nfs/dbraw/zinc/90/66/92/342906692.db2.gz TZYJFZPZGKVFGJ-ILXRZTDVSA-N 1 3 294.443 1.586 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCC[NH+]1CCCCCC1 ZINC000594440949 342907530 /nfs/dbraw/zinc/90/75/30/342907530.db2.gz JSJQKKKWPMFPHQ-CQSZACIVSA-N 1 3 280.416 1.390 10 30 CDEEHO N#CCSCCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595866373 343175641 /nfs/dbraw/zinc/17/56/41/343175641.db2.gz LBHVEEBCKLLDGB-CQSZACIVSA-N 1 3 283.441 1.164 10 30 CDEEHO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506927 345678630 /nfs/dbraw/zinc/67/86/30/345678630.db2.gz CKOCINZPAWDMLV-HOCLYGCPSA-N 1 3 283.460 1.977 10 30 CDEEHO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506927 345678632 /nfs/dbraw/zinc/67/86/32/345678632.db2.gz CKOCINZPAWDMLV-HOCLYGCPSA-N 1 3 283.460 1.977 10 30 CDEEHO C=CC[C@@]1(C(=O)N2CC[C@@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000662708572 413355149 /nfs/dbraw/zinc/35/51/49/413355149.db2.gz MYUKZGRUUMKJNV-ZBFHGGJFSA-N 1 3 277.412 1.381 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CCC[NH2+]1 ZINC000662754153 413430660 /nfs/dbraw/zinc/43/06/60/413430660.db2.gz FQBPSMRDGABJIY-DUVNUKRYSA-N 1 3 277.412 1.284 10 30 CDEEHO CN(C)c1ccc2c(c1)C(C#N)N(CCC[NH+](C)C)C2=O ZINC000071679128 176244186 /nfs/dbraw/zinc/24/41/86/176244186.db2.gz WBUVGLYFACEPHN-OAHLLOKOSA-N 1 3 286.379 1.725 10 30 CDEEHO C=CCOc1ccccc1CNCCCN1CC[NH2+]CC1 ZINC000414787972 263048280 /nfs/dbraw/zinc/04/82/80/263048280.db2.gz ZYHCMJGBNZMART-UHFFFAOYSA-N 1 3 289.423 1.636 10 30 CDEEHO C=CC[C@]1(C(=O)NCCN2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662679659 424298581 /nfs/dbraw/zinc/29/85/81/424298581.db2.gz ATIZIHDANCNQBD-GOEBONIOSA-N 1 3 279.428 1.675 10 30 CDEEHO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](N2CCCCC2)C1 ZINC000262502067 330017976 /nfs/dbraw/zinc/01/79/76/330017976.db2.gz YPUBCVKIRPDYSB-SOUVJXGZSA-N 1 3 278.444 1.921 10 30 CDEEHO C=CCN1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001677593814 1174377087 /nfs/dbraw/zinc/37/70/87/1174377087.db2.gz CRTCVYJAZYBMDY-UHFFFAOYSA-N 1 3 277.412 1.263 10 30 CDEEHO C=C(C)[C@H](CO)N1CCC(C[NH+]2CCCC2)CC1 ZINC000677133455 482542424 /nfs/dbraw/zinc/54/24/24/482542424.db2.gz WRLIUABXQBKGJR-HNNXBMFYSA-N 1 3 252.402 1.731 10 30 CDEEHO C=C(C)[C@H](CO)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000680432333 483618734 /nfs/dbraw/zinc/61/87/34/483618734.db2.gz ZTDQSLLEWZQVIH-INIZCTEOSA-N 1 3 295.471 1.273 10 30 CDEEHO CC(C)N[C@@H](C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000062436820 519733775 /nfs/dbraw/zinc/73/37/75/519733775.db2.gz KDKZNOUKEXUNDA-OAHLLOKOSA-N 1 3 266.433 1.540 10 30 CDEEHO N#Cc1ccc(CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925714886 617827212 /nfs/dbraw/zinc/82/72/12/617827212.db2.gz YHVWKUNKHOAOTM-HUUCEWRRSA-N 1 3 255.365 1.960 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000908503846 628247243 /nfs/dbraw/zinc/24/72/43/628247243.db2.gz QGMZQOQOHNTAGO-ZDUSSCGKSA-N 1 3 279.428 1.437 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000913815906 630794502 /nfs/dbraw/zinc/79/45/02/630794502.db2.gz UIESULRFFYKNDU-ZIAGYGMSSA-N 1 3 265.401 1.189 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001691184525 1158948915 /nfs/dbraw/zinc/94/89/15/1158948915.db2.gz OTJJWWYZRQDPAI-KLHDSHLOSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CCC(C)C)CC1 ZINC001691000638 1158524803 /nfs/dbraw/zinc/52/48/03/1158524803.db2.gz MZTQRYURRVOEOC-UHFFFAOYSA-N 1 3 293.455 1.426 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CCC(C)C)CC1 ZINC001691000638 1158524808 /nfs/dbraw/zinc/52/48/08/1158524808.db2.gz MZTQRYURRVOEOC-UHFFFAOYSA-N 1 3 293.455 1.426 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566895775 1168458944 /nfs/dbraw/zinc/45/89/44/1168458944.db2.gz OYWVTJUBQKCXCM-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001570648555 1170221907 /nfs/dbraw/zinc/22/19/07/1170221907.db2.gz ZGDHJQPGVQILEI-WDEREUQCSA-N 1 3 264.373 1.320 10 30 CDEEHO C#CCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001673961353 1173902065 /nfs/dbraw/zinc/90/20/65/1173902065.db2.gz LNNUXYLCDUMECM-HNNXBMFYSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001698860445 1175968078 /nfs/dbraw/zinc/96/80/78/1175968078.db2.gz OMFCEUCXAYTSHN-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CCN(C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001712991746 1178289805 /nfs/dbraw/zinc/28/98/05/1178289805.db2.gz VSGSSPCKUYHZKR-UHFFFAOYSA-N 1 3 279.428 1.324 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001713220424 1178439690 /nfs/dbraw/zinc/43/96/90/1178439690.db2.gz KVUDCCLRXVTUEK-JKSUJKDBSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001713220424 1178439694 /nfs/dbraw/zinc/43/96/94/1178439694.db2.gz KVUDCCLRXVTUEK-JKSUJKDBSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713518014 1178620905 /nfs/dbraw/zinc/62/09/05/1178620905.db2.gz TYPMSFSEJWIEKP-ZIAGYGMSSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713518014 1178620907 /nfs/dbraw/zinc/62/09/07/1178620907.db2.gz TYPMSFSEJWIEKP-ZIAGYGMSSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCCC[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001713541859 1178634567 /nfs/dbraw/zinc/63/45/67/1178634567.db2.gz OCMRPLOHSCPGDS-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001713541859 1178634570 /nfs/dbraw/zinc/63/45/70/1178634570.db2.gz OCMRPLOHSCPGDS-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCN1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713541868 1178635103 /nfs/dbraw/zinc/63/51/03/1178635103.db2.gz OJVGFLCJBONDPC-CVEARBPZSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001713599472 1178675844 /nfs/dbraw/zinc/67/58/44/1178675844.db2.gz CNLLNBMSOVIHQV-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001714278870 1179062820 /nfs/dbraw/zinc/06/28/20/1179062820.db2.gz PJJQXOWXQZTGCH-CABCVRRESA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001715414107 1179661812 /nfs/dbraw/zinc/66/18/12/1179661812.db2.gz CKIFXEWLRHPUAV-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001716452558 1180218632 /nfs/dbraw/zinc/21/86/32/1180218632.db2.gz IIJFJDNJXWDWSG-LBPRGKRZSA-N 1 3 255.406 1.245 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001716623103 1180312264 /nfs/dbraw/zinc/31/22/64/1180312264.db2.gz BODBGRCOPKFVDH-HOCLYGCPSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001717109409 1180533074 /nfs/dbraw/zinc/53/30/74/1180533074.db2.gz CVDSORURQHTIPE-KGLIPLIRSA-N 1 3 299.846 1.519 10 30 CDEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001717109409 1180533075 /nfs/dbraw/zinc/53/30/75/1180533075.db2.gz CVDSORURQHTIPE-KGLIPLIRSA-N 1 3 299.846 1.519 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001717423731 1180664516 /nfs/dbraw/zinc/66/45/16/1180664516.db2.gz WSMIBFKPIVHWLD-KBPBESRZSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001723297721 1181533887 /nfs/dbraw/zinc/53/38/87/1181533887.db2.gz KUPKZQIXGAIMJI-CVEARBPZSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CCN1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001725238966 1181933659 /nfs/dbraw/zinc/93/36/59/1181933659.db2.gz ISCACLKDKPJNNJ-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001725390843 1181984917 /nfs/dbraw/zinc/98/49/17/1181984917.db2.gz XMUXRPQWRRZNJI-CVEARBPZSA-N 1 3 293.455 1.757 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001732564399 1183011080 /nfs/dbraw/zinc/01/10/80/1183011080.db2.gz HLXGCLNWSBCTBZ-OAHLLOKOSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001733938117 1183574998 /nfs/dbraw/zinc/57/49/98/1183574998.db2.gz NUKHVKCDGFVVSF-HUUCEWRRSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001733938117 1183575001 /nfs/dbraw/zinc/57/50/01/1183575001.db2.gz NUKHVKCDGFVVSF-HUUCEWRRSA-N 1 3 279.428 1.437 10 30 CDEEHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001734508544 1183803257 /nfs/dbraw/zinc/80/32/57/1183803257.db2.gz MSMOUQLHAJIYBC-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO C[NH+]=C(NCc1ccco1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261949370 726011726 /nfs/dbraw/zinc/01/17/26/726011726.db2.gz GWOHDYFMUBRRGL-TZMCWYRMSA-N 1 3 278.400 1.673 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000876734042 726159723 /nfs/dbraw/zinc/15/97/23/726159723.db2.gz NXZIQSAQFPOIJK-NEPJUHHUSA-N 1 3 273.808 1.303 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000876734042 726159727 /nfs/dbraw/zinc/15/97/27/726159727.db2.gz NXZIQSAQFPOIJK-NEPJUHHUSA-N 1 3 273.808 1.303 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000876722853 726274601 /nfs/dbraw/zinc/27/46/01/726274601.db2.gz GSRLTDZLQVZTFR-NWDGAFQWSA-N 1 3 273.808 1.447 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000876722853 726274604 /nfs/dbraw/zinc/27/46/04/726274604.db2.gz GSRLTDZLQVZTFR-NWDGAFQWSA-N 1 3 273.808 1.447 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000876712691 726284659 /nfs/dbraw/zinc/28/46/59/726284659.db2.gz SWCRECRGJJUVDY-LBPRGKRZSA-N 1 3 273.808 1.449 10 30 CDEEHO C[N@@H+]1C[C@@H]2CN(CCCC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000933731528 726877943 /nfs/dbraw/zinc/87/79/43/726877943.db2.gz BLSXPCCYJXMZSD-CVEARBPZSA-N 1 3 291.439 1.970 10 30 CDEEHO C[N@H+]1C[C@@H]2CN(CCCC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000933731528 726877944 /nfs/dbraw/zinc/87/79/44/726877944.db2.gz BLSXPCCYJXMZSD-CVEARBPZSA-N 1 3 291.439 1.970 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC(C)(C)O1 ZINC000186888066 727017561 /nfs/dbraw/zinc/01/75/61/727017561.db2.gz LDLVWLBCEZCYDS-STQMWFEESA-N 1 3 282.432 1.333 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876726923 727355358 /nfs/dbraw/zinc/35/53/58/727355358.db2.gz BSMSUURITGOWSS-JQWIXIFHSA-N 1 3 271.792 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876726923 727355360 /nfs/dbraw/zinc/35/53/60/727355360.db2.gz BSMSUURITGOWSS-JQWIXIFHSA-N 1 3 271.792 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000876712168 727359914 /nfs/dbraw/zinc/35/99/14/727359914.db2.gz MYFIWTOFKDPBDG-NSHDSACASA-N 1 3 259.781 1.058 10 30 CDEEHO C#CCCCCC[NH+]1CCC(N(C)CCCO)CC1 ZINC000878109883 1166144297 /nfs/dbraw/zinc/14/42/97/1166144297.db2.gz YVZYTQAKNJUSJY-UHFFFAOYSA-N 1 3 266.429 1.959 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001647383991 1168632688 /nfs/dbraw/zinc/63/26/88/1168632688.db2.gz LDKMMQLIHHBFBK-JSGCOSHPSA-N 1 3 285.819 1.449 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001567431862 1168756204 /nfs/dbraw/zinc/75/62/04/1168756204.db2.gz UULSPGSGSPHBNG-AWEZNQCLSA-N 1 3 267.417 1.034 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266620278 895608789 /nfs/dbraw/zinc/60/87/89/895608789.db2.gz RIRAETHUHJYQMG-RBSFLKMASA-N 1 3 281.444 1.776 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001267058386 896653009 /nfs/dbraw/zinc/65/30/09/896653009.db2.gz KSCNVXCOFPKYKK-HNNXBMFYSA-N 1 3 293.455 1.426 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001267175073 897013425 /nfs/dbraw/zinc/01/34/25/897013425.db2.gz PIESKLGGJRXAMG-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001267175073 897013434 /nfs/dbraw/zinc/01/34/34/897013434.db2.gz PIESKLGGJRXAMG-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001267491893 898147239 /nfs/dbraw/zinc/14/72/39/898147239.db2.gz PMSFZXZVBVYDHR-LSDHHAIUSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001267564832 898380556 /nfs/dbraw/zinc/38/05/56/898380556.db2.gz FZXWZYBXTNFYNB-HNNXBMFYSA-N 1 3 295.471 1.979 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001267564832 898380571 /nfs/dbraw/zinc/38/05/71/898380571.db2.gz FZXWZYBXTNFYNB-HNNXBMFYSA-N 1 3 295.471 1.979 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001268068936 901093699 /nfs/dbraw/zinc/09/36/99/901093699.db2.gz OENZZAAMPRYCPO-KGLIPLIRSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001269235586 903595619 /nfs/dbraw/zinc/59/56/19/903595619.db2.gz MIVSBFZFSHOHIG-OWCLPIDISA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001269235586 903595628 /nfs/dbraw/zinc/59/56/28/903595628.db2.gz MIVSBFZFSHOHIG-OWCLPIDISA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269273706 903636838 /nfs/dbraw/zinc/63/68/38/903636838.db2.gz AVPXFZXCNXKRNB-HUUCEWRRSA-N 1 3 279.428 1.129 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001269422446 903796625 /nfs/dbraw/zinc/79/66/25/903796625.db2.gz BJYNTZCDWNWUJX-CQSZACIVSA-N 1 3 277.412 1.123 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](F)CN(CC)CC ZINC001270058751 904314494 /nfs/dbraw/zinc/31/44/94/904314494.db2.gz LUVHRNHBULBJMO-LSDHHAIUSA-N 1 3 297.418 1.270 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001271181989 906147805 /nfs/dbraw/zinc/14/78/05/906147805.db2.gz PNOFYVFFKOKHEM-KBPBESRZSA-N 1 3 267.417 1.032 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC(C)(C)O1 ZINC000186888043 922023899 /nfs/dbraw/zinc/02/38/99/922023899.db2.gz LDLVWLBCEZCYDS-OLZOCXBDSA-N 1 3 282.432 1.333 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001324248910 926750723 /nfs/dbraw/zinc/75/07/23/926750723.db2.gz FICPUYKNAXVINX-MRXNPFEDSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001274446915 931500749 /nfs/dbraw/zinc/50/07/49/931500749.db2.gz SVMPMEIYYJWHOP-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001275310048 931731392 /nfs/dbraw/zinc/73/13/92/931731392.db2.gz XSRKHKVGTCWXKZ-KGLIPLIRSA-N 1 3 267.417 1.389 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001568630487 1169407179 /nfs/dbraw/zinc/40/71/79/1169407179.db2.gz DSMBTPVCCWAZKR-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001122202581 937912737 /nfs/dbraw/zinc/91/27/37/937912737.db2.gz NUIXMXOYWDFORU-KBPBESRZSA-N 1 3 295.427 1.026 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001122509399 937938262 /nfs/dbraw/zinc/93/82/62/937938262.db2.gz WKUMMRFHAQWDGO-ZBFHGGJFSA-N 1 3 279.428 1.805 10 30 CDEEHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001276727566 940903500 /nfs/dbraw/zinc/90/35/00/940903500.db2.gz PXMZKAZNVYPOHV-APIJFGDWSA-N 1 3 279.428 1.197 10 30 CDEEHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001276727566 940903501 /nfs/dbraw/zinc/90/35/01/940903501.db2.gz PXMZKAZNVYPOHV-APIJFGDWSA-N 1 3 279.428 1.197 10 30 CDEEHO CC#CC[NH2+]CCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001277298990 942314032 /nfs/dbraw/zinc/31/40/32/942314032.db2.gz KJTGCTOYVRPQMF-HNNXBMFYSA-N 1 3 295.471 1.862 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCC1 ZINC001280480297 942450795 /nfs/dbraw/zinc/45/07/95/942450795.db2.gz JIHVWZBYGHKODK-CQSZACIVSA-N 1 3 277.412 1.121 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001282478465 942720842 /nfs/dbraw/zinc/72/08/42/942720842.db2.gz RBIJTYIZXQNHRV-STQMWFEESA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001282478465 942720845 /nfs/dbraw/zinc/72/08/45/942720845.db2.gz RBIJTYIZXQNHRV-STQMWFEESA-N 1 3 255.406 1.339 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001316630372 943011209 /nfs/dbraw/zinc/01/12/09/943011209.db2.gz JGDMUXOCZFTAOB-BZUAXINKSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001277929880 944102593 /nfs/dbraw/zinc/10/25/93/944102593.db2.gz TYOVGCGTONKGHA-ZIAGYGMSSA-N 1 3 269.433 1.585 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001264424414 944132628 /nfs/dbraw/zinc/13/26/28/944132628.db2.gz HFOPNDPGFJOWAI-RBSFLKMASA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001265088169 944225559 /nfs/dbraw/zinc/22/55/59/944225559.db2.gz AMPKPJWHIPFZJR-HIFRSBDPSA-N 1 3 288.395 1.335 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001265378158 944365738 /nfs/dbraw/zinc/36/57/38/944365738.db2.gz HTRIZYNDEPJVNY-KBPBESRZSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266029402 944643520 /nfs/dbraw/zinc/64/35/20/944643520.db2.gz PRVSSNNKQCURPX-CABCVRRESA-N 1 3 279.428 1.034 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001278310064 945729424 /nfs/dbraw/zinc/72/94/24/945729424.db2.gz YIZBVTKOIPYASI-HZPDHXFCSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001480207566 971628459 /nfs/dbraw/zinc/62/84/59/971628459.db2.gz CGRGBLTVCYSDTL-BETUJISGSA-N 1 3 265.401 1.284 10 30 CDEEHO CC#CCN1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001493269724 972003628 /nfs/dbraw/zinc/00/36/28/972003628.db2.gz YRLHGSLCBYVQBO-INIZCTEOSA-N 1 3 291.439 1.324 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001317535929 957533541 /nfs/dbraw/zinc/53/35/41/957533541.db2.gz KVYVSKYNFRCDFW-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001317535929 957533546 /nfs/dbraw/zinc/53/35/46/957533546.db2.gz KVYVSKYNFRCDFW-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001320564902 959245977 /nfs/dbraw/zinc/24/59/77/959245977.db2.gz UMUVDTMQOWDBBA-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001320756922 959371782 /nfs/dbraw/zinc/37/17/82/959371782.db2.gz UNCVSKWTYGRCIG-MRXNPFEDSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001320756922 959371793 /nfs/dbraw/zinc/37/17/93/959371793.db2.gz UNCVSKWTYGRCIG-MRXNPFEDSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]C(C)C)CC1 ZINC001321416336 959775427 /nfs/dbraw/zinc/77/54/27/959775427.db2.gz IHZIVOIGQFNHST-WAYWQWQTSA-N 1 3 277.412 1.002 10 30 CDEEHO C#CC[NH2+]CCC1CCN(C(=O)CN(C)CCC)CC1 ZINC001495434836 972499264 /nfs/dbraw/zinc/49/92/64/972499264.db2.gz NLSOVMWPGLJYQV-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001324286075 961283842 /nfs/dbraw/zinc/28/38/42/961283842.db2.gz NSTQUXZNPXDJPD-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001341564878 963464912 /nfs/dbraw/zinc/46/49/12/963464912.db2.gz QFVAMRTXMQLUQN-AXFHLTTASA-N 1 3 293.333 1.266 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001355339710 969129381 /nfs/dbraw/zinc/12/93/81/969129381.db2.gz QCQSMAMHRDMGEB-KCQAQPDRSA-N 1 3 265.401 1.400 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001357993671 969676326 /nfs/dbraw/zinc/67/63/26/969676326.db2.gz PZTFHAAVOHFKFP-RDBSUJKOSA-N 1 3 265.401 1.223 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001357993671 969676330 /nfs/dbraw/zinc/67/63/30/969676330.db2.gz PZTFHAAVOHFKFP-RDBSUJKOSA-N 1 3 265.401 1.223 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001497816544 973534940 /nfs/dbraw/zinc/53/49/40/973534940.db2.gz SWDRDXYQXVQZJS-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001501962014 974664515 /nfs/dbraw/zinc/66/45/15/974664515.db2.gz PLHAGYWSXXLZDF-UHFFFAOYSA-N 1 3 277.412 1.123 10 30 CDEEHO C=CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001502837163 974793190 /nfs/dbraw/zinc/79/31/90/974793190.db2.gz YKJOKEWKJHWYAD-KBPBESRZSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001502837163 974793196 /nfs/dbraw/zinc/79/31/96/974793196.db2.gz YKJOKEWKJHWYAD-KBPBESRZSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001506888460 975247179 /nfs/dbraw/zinc/24/71/79/975247179.db2.gz LERQWOFMLLTTTA-KKUMJFAQSA-N 1 3 279.428 1.080 10 30 CDEEHO CC#CCNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001570108261 1170081624 /nfs/dbraw/zinc/08/16/24/1170081624.db2.gz PPDIHVZKEJGTRD-OAHLLOKOSA-N 1 3 291.439 1.513 10 30 CDEEHO C=CC[NH2+][C@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001570779885 1170279253 /nfs/dbraw/zinc/27/92/53/1170279253.db2.gz WCOLSONHQXDAMN-CQSZACIVSA-N 1 3 278.400 1.601 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)CN(CC)CC)[C@H]1C ZINC001656957439 1171905844 /nfs/dbraw/zinc/90/58/44/1171905844.db2.gz PYXONMZSRMDBBO-ILXRZTDVSA-N 1 3 299.434 1.821 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)CN(CC)CC)[C@H]1C ZINC001656957439 1171905851 /nfs/dbraw/zinc/90/58/51/1171905851.db2.gz PYXONMZSRMDBBO-ILXRZTDVSA-N 1 3 299.434 1.821 10 30 CDEEHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](N)CCCCC#N ZINC000594436719 342899861 /nfs/dbraw/zinc/89/98/61/342899861.db2.gz FWIUEIDHVPWVEJ-RBSFLKMASA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](N)CCCCC#N ZINC000594436719 342899862 /nfs/dbraw/zinc/89/98/62/342899862.db2.gz FWIUEIDHVPWVEJ-RBSFLKMASA-N 1 3 294.443 1.634 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000594438894 342906416 /nfs/dbraw/zinc/90/64/16/342906416.db2.gz QOBPGQUKPQKWSO-KGLIPLIRSA-N 1 3 278.400 1.094 10 30 CDEEHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600728406 342245448 /nfs/dbraw/zinc/24/54/48/342245448.db2.gz PICLJRFBPUNKAK-JKSUJKDBSA-N 1 3 293.455 1.999 10 30 CDEEHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600728406 342245449 /nfs/dbraw/zinc/24/54/49/342245449.db2.gz PICLJRFBPUNKAK-JKSUJKDBSA-N 1 3 293.455 1.999 10 30 CDEEHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600728406 342245450 /nfs/dbraw/zinc/24/54/50/342245450.db2.gz PICLJRFBPUNKAK-JKSUJKDBSA-N 1 3 293.455 1.999 10 30 CDEEHO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506926 345678594 /nfs/dbraw/zinc/67/85/94/345678594.db2.gz CKOCINZPAWDMLV-GOEBONIOSA-N 1 3 283.460 1.977 10 30 CDEEHO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506926 345678595 /nfs/dbraw/zinc/67/85/95/345678595.db2.gz CKOCINZPAWDMLV-GOEBONIOSA-N 1 3 283.460 1.977 10 30 CDEEHO N#Cc1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312007587 350737856 /nfs/dbraw/zinc/73/78/56/350737856.db2.gz IAZGRBFUPFCDFU-GASCZTMLSA-N 1 3 255.365 1.990 10 30 CDEEHO CC[NH+](CC)[C@@H]1CCN(Cc2cccc(C#CCN)c2)C1 ZINC000062967856 184568295 /nfs/dbraw/zinc/56/82/95/184568295.db2.gz QCFGLZBJYRZJSG-GOSISDBHSA-N 1 3 285.435 1.913 10 30 CDEEHO C#CCC[N@H+](CCC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001663684277 1172746300 /nfs/dbraw/zinc/74/63/00/1172746300.db2.gz VBBYNVRJPTWNQA-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCC[N@@H+](CCC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001663684277 1172746307 /nfs/dbraw/zinc/74/63/07/1172746307.db2.gz VBBYNVRJPTWNQA-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CCC[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001664456847 1172855481 /nfs/dbraw/zinc/85/54/81/1172855481.db2.gz BLSGKWVFICGVCU-CYBMUJFWSA-N 1 3 290.411 1.745 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CCC[NH2+]1 ZINC000662732591 413399770 /nfs/dbraw/zinc/39/97/70/413399770.db2.gz YHZDJTUTPVGZKL-KCQAQPDRSA-N 1 3 265.401 1.284 10 30 CDEEHO C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662299613 414625608 /nfs/dbraw/zinc/62/56/08/414625608.db2.gz SHZAKRCOTBITGH-KGLIPLIRSA-N 1 3 250.386 1.796 10 30 CDEEHO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662299613 414625613 /nfs/dbraw/zinc/62/56/13/414625613.db2.gz SHZAKRCOTBITGH-KGLIPLIRSA-N 1 3 250.386 1.796 10 30 CDEEHO [NH3+]CC#Cc1csc(CN2CCC[C@H](O)C2)c1 ZINC000043689010 175095190 /nfs/dbraw/zinc/09/51/90/175095190.db2.gz WHFIHVJLGBIJDA-LBPRGKRZSA-N 1 3 250.367 1.015 10 30 CDEEHO NCC#Cc1csc(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000043688837 175096073 /nfs/dbraw/zinc/09/60/73/175096073.db2.gz MOEKBXLZNYHLGF-AWEZNQCLSA-N 1 3 278.421 1.795 10 30 CDEEHO NCC#Cc1csc(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000043688837 175096074 /nfs/dbraw/zinc/09/60/74/175096074.db2.gz MOEKBXLZNYHLGF-AWEZNQCLSA-N 1 3 278.421 1.795 10 30 CDEEHO CCCN[C@](C)(C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000045182207 175325286 /nfs/dbraw/zinc/32/52/86/175325286.db2.gz GOZSLPMLCBPOLS-INIZCTEOSA-N 1 3 280.460 1.932 10 30 CDEEHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccccc1C#CCN ZINC000071192978 176074647 /nfs/dbraw/zinc/07/46/47/176074647.db2.gz WTNGJFNZVWLFEW-CQSZACIVSA-N 1 3 285.391 1.021 10 30 CDEEHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccccc1C#CCN ZINC000071192978 176074648 /nfs/dbraw/zinc/07/46/48/176074648.db2.gz WTNGJFNZVWLFEW-CQSZACIVSA-N 1 3 285.391 1.021 10 30 CDEEHO C=CCOc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000415138628 263276200 /nfs/dbraw/zinc/27/62/00/263276200.db2.gz HPLMIHDTLIIULQ-UHFFFAOYSA-N 1 3 276.380 1.537 10 30 CDEEHO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001700475282 1176964098 /nfs/dbraw/zinc/96/40/98/1176964098.db2.gz WDFONIJJAOFDRF-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001700475282 1176964103 /nfs/dbraw/zinc/96/41/03/1176964103.db2.gz WDFONIJJAOFDRF-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[C@@H](CO)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000680485191 483634608 /nfs/dbraw/zinc/63/46/08/483634608.db2.gz VINZJICNOKLZQV-HNNXBMFYSA-N 1 3 278.396 1.654 10 30 CDEEHO C[NH+](C)C[C@H]1CCCN1CCCC[C@@](C)(N)C#N ZINC000061652795 521866497 /nfs/dbraw/zinc/86/64/97/521866497.db2.gz BBFWFGJNRHDQOS-ZIAGYGMSSA-N 1 3 252.406 1.424 10 30 CDEEHO C[C@H](NCCN1CCC([NH3+])CC1)c1ccc(C#N)cc1F ZINC000925811799 617755146 /nfs/dbraw/zinc/75/51/46/617755146.db2.gz LAFXSDZBULDXGB-LBPRGKRZSA-N 1 3 290.386 1.771 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001690982199 1158513950 /nfs/dbraw/zinc/51/39/50/1158513950.db2.gz SPVULZBTEWDQMK-CQSZACIVSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001690982199 1158513953 /nfs/dbraw/zinc/51/39/53/1158513953.db2.gz SPVULZBTEWDQMK-CQSZACIVSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000876742848 1165905287 /nfs/dbraw/zinc/90/52/87/1165905287.db2.gz XKZZHRAWEFWSJK-OLZOCXBDSA-N 1 3 285.819 1.543 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000876879331 1165932606 /nfs/dbraw/zinc/93/26/06/1165932606.db2.gz QHKVUVXEKROVRX-MNOVXSKESA-N 1 3 259.781 1.009 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877256776 1166005315 /nfs/dbraw/zinc/00/53/15/1166005315.db2.gz DWZHGDRNKCGYJZ-RISCZKNCSA-N 1 3 287.835 1.680 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001646799153 1168139886 /nfs/dbraw/zinc/13/98/86/1168139886.db2.gz MZVGNKGRQIVOSO-DMDPSCGWSA-N 1 3 271.792 1.105 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001646839446 1168183006 /nfs/dbraw/zinc/18/30/06/1168183006.db2.gz UOAHBNNBPSQXDB-NWDGAFQWSA-N 1 3 275.824 1.693 10 30 CDEEHO C=CCN1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001567928179 1169075451 /nfs/dbraw/zinc/07/54/51/1169075451.db2.gz CXBKLLWJWMDYOC-OAHLLOKOSA-N 1 3 279.428 1.581 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001568072904 1169133010 /nfs/dbraw/zinc/13/30/10/1169133010.db2.gz ILZCYTGKBSZZOI-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CC[NH+]1CCC(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001568129738 1169141558 /nfs/dbraw/zinc/14/15/58/1169141558.db2.gz HYGUEPXCWPJUTK-HNNXBMFYSA-N 1 3 293.455 1.733 10 30 CDEEHO CC#CCNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001570108261 1170081617 /nfs/dbraw/zinc/08/16/17/1170081617.db2.gz PPDIHVZKEJGTRD-OAHLLOKOSA-N 1 3 291.439 1.513 10 30 CDEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001570676987 1170228803 /nfs/dbraw/zinc/22/88/03/1170228803.db2.gz OLHMSMFKJJMKJU-HNNXBMFYSA-N 1 3 295.471 1.670 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001691909668 1175650220 /nfs/dbraw/zinc/65/02/20/1175650220.db2.gz ZRUINPIIASMRKB-HZPDHXFCSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001691909668 1175650221 /nfs/dbraw/zinc/65/02/21/1175650221.db2.gz ZRUINPIIASMRKB-HZPDHXFCSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CC=C)CC1 ZINC001699160559 1176116920 /nfs/dbraw/zinc/11/69/20/1176116920.db2.gz SARTYKRNCDWNLQ-CQSZACIVSA-N 1 3 277.412 1.002 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H](F)CC)CC1 ZINC001699432893 1176395399 /nfs/dbraw/zinc/39/53/99/1176395399.db2.gz HBQUMXFILBRTPH-ZFWWWQNUSA-N 1 3 297.418 1.174 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001699734444 1176597736 /nfs/dbraw/zinc/59/77/36/1176597736.db2.gz NKYXZUYPNZSIOS-GJZGRUSLSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CCCN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001700574040 1177020621 /nfs/dbraw/zinc/02/06/21/1177020621.db2.gz IYXHOFXGJUVNKU-AWEZNQCLSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CC[NH+]1CCC(C2(NC(=O)CN(C)C(C)C)CC2)CC1 ZINC001701032505 1177247763 /nfs/dbraw/zinc/24/77/63/1177247763.db2.gz AUVDMXOTFKXSLM-UHFFFAOYSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001713121670 1178379515 /nfs/dbraw/zinc/37/95/15/1178379515.db2.gz MIWWWUGXOKUSCE-ZBFHGGJFSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001713175429 1178413897 /nfs/dbraw/zinc/41/38/97/1178413897.db2.gz BWPXJNARQYVROJ-RBSFLKMASA-N 1 3 277.412 1.121 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001713220921 1178440598 /nfs/dbraw/zinc/44/05/98/1178440598.db2.gz VZELUMJLQWIHGO-HZPDHXFCSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001713220921 1178440601 /nfs/dbraw/zinc/44/06/01/1178440601.db2.gz VZELUMJLQWIHGO-HZPDHXFCSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001714277580 1179061760 /nfs/dbraw/zinc/06/17/60/1179061760.db2.gz BZVGAHFRCXIPRA-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)CN(C)C(C)C ZINC001714798136 1179402920 /nfs/dbraw/zinc/40/29/20/1179402920.db2.gz QIMOKWUQCUAATA-UHFFFAOYSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001715481237 1179677319 /nfs/dbraw/zinc/67/73/19/1179677319.db2.gz YVMYFZMWHDLDRF-HIFRSBDPSA-N 1 3 290.411 1.745 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001716496632 1180252649 /nfs/dbraw/zinc/25/26/49/1180252649.db2.gz ZMMNFJTZQHJJKH-CQSZACIVSA-N 1 3 283.460 1.977 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001716496632 1180252650 /nfs/dbraw/zinc/25/26/50/1180252650.db2.gz ZMMNFJTZQHJJKH-CQSZACIVSA-N 1 3 283.460 1.977 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001716681385 1180366712 /nfs/dbraw/zinc/36/67/12/1180366712.db2.gz NREDRSDZFZCDLG-AWEZNQCLSA-N 1 3 279.428 1.674 10 30 CDEEHO C=CC[NH+]1CCC(C)(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001716887416 1180453280 /nfs/dbraw/zinc/45/32/80/1180453280.db2.gz LZCZEQCOHMNGBW-HNNXBMFYSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001717601534 1180755121 /nfs/dbraw/zinc/75/51/21/1180755121.db2.gz XHUFJIJYFROJGU-YHUYYLMFSA-N 1 3 291.439 1.198 10 30 CDEEHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001717601534 1180755125 /nfs/dbraw/zinc/75/51/25/1180755125.db2.gz XHUFJIJYFROJGU-YHUYYLMFSA-N 1 3 291.439 1.198 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1CC ZINC001723384345 1181546331 /nfs/dbraw/zinc/54/63/31/1181546331.db2.gz ICWRCNOISDWKLJ-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001723545212 1181584873 /nfs/dbraw/zinc/58/48/73/1181584873.db2.gz RRQXDYALOAUYRZ-UHFFFAOYSA-N 1 3 279.428 1.675 10 30 CDEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001725142739 1181881242 /nfs/dbraw/zinc/88/12/42/1181881242.db2.gz ISSURDBBAGWAJM-CQSZACIVSA-N 1 3 281.444 1.424 10 30 CDEEHO C#CCN1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001725238969 1181932543 /nfs/dbraw/zinc/93/25/43/1181932543.db2.gz ISCACLKDKPJNNJ-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001725567345 1182052591 /nfs/dbraw/zinc/05/25/91/1182052591.db2.gz MKKZHUDODMZNLA-YPMHNXCESA-N 1 3 262.357 1.107 10 30 CDEEHO C=CCN1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001725612529 1182072172 /nfs/dbraw/zinc/07/21/72/1182072172.db2.gz XWJQSYGLVGJBLZ-RHSMWYFYSA-N 1 3 291.439 1.627 10 30 CDEEHO C=CCN(C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001725733874 1182115205 /nfs/dbraw/zinc/11/52/05/1182115205.db2.gz UZXVAYWAQYYIPJ-CQSZACIVSA-N 1 3 267.417 1.293 10 30 CDEEHO C=CCN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001725733874 1182115209 /nfs/dbraw/zinc/11/52/09/1182115209.db2.gz UZXVAYWAQYYIPJ-CQSZACIVSA-N 1 3 267.417 1.293 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001731876266 1182646209 /nfs/dbraw/zinc/64/62/09/1182646209.db2.gz GKPUOQBBDNWBSE-HNNXBMFYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001731876266 1182646212 /nfs/dbraw/zinc/64/62/12/1182646212.db2.gz GKPUOQBBDNWBSE-HNNXBMFYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001732081684 1182756542 /nfs/dbraw/zinc/75/65/42/1182756542.db2.gz ADTIGGGWCANCSE-OAHLLOKOSA-N 1 3 279.428 1.439 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001732081684 1182756547 /nfs/dbraw/zinc/75/65/47/1182756547.db2.gz ADTIGGGWCANCSE-OAHLLOKOSA-N 1 3 279.428 1.439 10 30 CDEEHO C#CC[NH2+]CCCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001733146838 1183307245 /nfs/dbraw/zinc/30/72/45/1183307245.db2.gz PYVJDBGCLIKKOJ-UHFFFAOYSA-N 1 3 287.407 1.433 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001733296679 1183381570 /nfs/dbraw/zinc/38/15/70/1183381570.db2.gz JGYYZGUMUNQGPX-KRWDZBQOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001733296679 1183381573 /nfs/dbraw/zinc/38/15/73/1183381573.db2.gz JGYYZGUMUNQGPX-KRWDZBQOSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001733675618 1183494565 /nfs/dbraw/zinc/49/45/65/1183494565.db2.gz GVYPHFWVZYGHHO-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877568 1183557469 /nfs/dbraw/zinc/55/74/69/1183557469.db2.gz ZQNJCGQMXWYAFQ-CYBMUJFWSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CCC)CC[NH+](C)C ZINC000876939539 728476996 /nfs/dbraw/zinc/47/69/96/728476996.db2.gz HELMADABOLGLPY-LLVKDONJSA-N 1 3 261.797 1.257 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000876738093 729045346 /nfs/dbraw/zinc/04/53/46/729045346.db2.gz ZGLHRYQNYRAVLK-DRZSPHRISA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000876738093 729045347 /nfs/dbraw/zinc/04/53/47/729045347.db2.gz ZGLHRYQNYRAVLK-DRZSPHRISA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC[C@@H]1CCC ZINC000876798485 729392521 /nfs/dbraw/zinc/39/25/21/729392521.db2.gz ZUKCLDRJYLWYLP-WDEREUQCSA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000876539464 730000961 /nfs/dbraw/zinc/00/09/61/730000961.db2.gz HJPXWKCMHFCMLA-GWCFXTLKSA-N 1 3 281.787 1.792 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000876707877 730366239 /nfs/dbraw/zinc/36/62/39/730366239.db2.gz DGMZUFVKBRKDTL-QWRGUYRKSA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000876707877 730366244 /nfs/dbraw/zinc/36/62/44/730366244.db2.gz DGMZUFVKBRKDTL-QWRGUYRKSA-N 1 3 259.781 1.057 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001565864403 1168189899 /nfs/dbraw/zinc/18/98/99/1168189899.db2.gz RLTXTODIPPKHKT-JYJNAYRXSA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001567153203 1168598838 /nfs/dbraw/zinc/59/88/38/1168598838.db2.gz JPYRNFAQFSPPRY-OAHLLOKOSA-N 1 3 279.428 1.487 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001567178059 1168606922 /nfs/dbraw/zinc/60/69/22/1168606922.db2.gz JKVAAVAVRIAFAU-HUUCEWRRSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCCN1CC ZINC001567354188 1168698458 /nfs/dbraw/zinc/69/84/58/1168698458.db2.gz UGVVLFKBOWWUGY-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCCN1CC ZINC001567354188 1168698459 /nfs/dbraw/zinc/69/84/59/1168698459.db2.gz UGVVLFKBOWWUGY-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266617297 895596419 /nfs/dbraw/zinc/59/64/19/895596419.db2.gz DBGDJSPOENRHBT-CYBMUJFWSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266617297 895596426 /nfs/dbraw/zinc/59/64/26/895596426.db2.gz DBGDJSPOENRHBT-CYBMUJFWSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266897510 896298745 /nfs/dbraw/zinc/29/87/45/896298745.db2.gz NOYJMWCJZPMXLH-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001266964747 896457064 /nfs/dbraw/zinc/45/70/64/896457064.db2.gz NZUYEAOUNKIWQR-GJZGRUSLSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CCN[C@@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001266964747 896457068 /nfs/dbraw/zinc/45/70/68/896457068.db2.gz NZUYEAOUNKIWQR-GJZGRUSLSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267233360 897246796 /nfs/dbraw/zinc/24/67/96/897246796.db2.gz SMSFQAPRPMYLHZ-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001481120742 898929535 /nfs/dbraw/zinc/92/95/35/898929535.db2.gz KCMJZKKRFLPGHP-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001481120742 898929543 /nfs/dbraw/zinc/92/95/43/898929543.db2.gz KCMJZKKRFLPGHP-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO CC#CC[NH2+]C[C@@](C)(NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001267857557 899881142 /nfs/dbraw/zinc/88/11/42/899881142.db2.gz BOADHYDOQDQSIH-WMLDXEAASA-N 1 3 291.439 1.226 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001268427336 902041091 /nfs/dbraw/zinc/04/10/91/902041091.db2.gz WABLLOZXBXJHFC-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001481847958 902214324 /nfs/dbraw/zinc/21/43/24/902214324.db2.gz JSJPDSZQARDDKN-ZIAGYGMSSA-N 1 3 267.417 1.080 10 30 CDEEHO C=C(C)CN1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001270650591 904884030 /nfs/dbraw/zinc/88/40/30/904884030.db2.gz WUJYCUHOAMEZQB-GOEBONIOSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)CN1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001270650591 904884048 /nfs/dbraw/zinc/88/40/48/904884048.db2.gz WUJYCUHOAMEZQB-GOEBONIOSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001271600929 906538594 /nfs/dbraw/zinc/53/85/94/906538594.db2.gz VHZSURILQIILIZ-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001271676577 906587801 /nfs/dbraw/zinc/58/78/01/906587801.db2.gz JADCJSPRCKKTSC-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001271880738 906930553 /nfs/dbraw/zinc/93/05/53/906930553.db2.gz XPBDKNXZJLSEJK-XHSDSOJGSA-N 1 3 293.455 1.683 10 30 CDEEHO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001271880738 906930565 /nfs/dbraw/zinc/93/05/65/906930565.db2.gz XPBDKNXZJLSEJK-XHSDSOJGSA-N 1 3 293.455 1.683 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001505456249 906997008 /nfs/dbraw/zinc/99/70/08/906997008.db2.gz QQSRZIZAKUSMHF-LSDHHAIUSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001505456249 906997017 /nfs/dbraw/zinc/99/70/17/906997017.db2.gz QQSRZIZAKUSMHF-LSDHHAIUSA-N 1 3 279.428 1.273 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1CC ZINC001483623317 911828287 /nfs/dbraw/zinc/82/82/87/911828287.db2.gz IHCKFJQFNVBEEB-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001483915182 915188035 /nfs/dbraw/zinc/18/80/35/915188035.db2.gz VFXLAVQOBVMZTE-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001483915183 915189506 /nfs/dbraw/zinc/18/95/06/915189506.db2.gz VFXLAVQOBVMZTE-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001484068952 915401370 /nfs/dbraw/zinc/40/13/70/915401370.db2.gz WCRAYBHKPADOPW-OAHLLOKOSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484526670 915849956 /nfs/dbraw/zinc/84/99/56/915849956.db2.gz YUESJLNRJGQICT-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@H+]1CCCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001485666592 917160192 /nfs/dbraw/zinc/16/01/92/917160192.db2.gz PWMFTMSBWIRFHC-UHFFFAOYSA-N 1 3 279.428 1.439 10 30 CDEEHO C=CC[N@@H+]1CCCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001485666592 917160203 /nfs/dbraw/zinc/16/02/03/917160203.db2.gz PWMFTMSBWIRFHC-UHFFFAOYSA-N 1 3 279.428 1.439 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001139869519 936654699 /nfs/dbraw/zinc/65/46/99/936654699.db2.gz JPIKZEKXGSIFFK-UHFFFAOYSA-N 1 3 279.428 1.581 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273646099 923248872 /nfs/dbraw/zinc/24/88/72/923248872.db2.gz SDFDZAAGLLHGNA-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CC[NH+]1CCC(N(C)C(=O)CN(C)CCC)CC1 ZINC001490422906 927170406 /nfs/dbraw/zinc/17/04/06/927170406.db2.gz XJHPUQGJWDBKPV-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1CCCC1 ZINC001278253562 945213854 /nfs/dbraw/zinc/21/38/54/945213854.db2.gz WQYJRLBAPPTRBV-HUUCEWRRSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](CC)N(C)C ZINC001283552142 942930866 /nfs/dbraw/zinc/93/08/66/942930866.db2.gz BPHFDTPWZGHGBD-UONOGXRCSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001283679605 942965677 /nfs/dbraw/zinc/96/56/77/942965677.db2.gz QSFJGWJEYBIVOZ-XJKSGUPXSA-N 1 3 299.434 1.821 10 30 CDEEHO C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001284790572 943260622 /nfs/dbraw/zinc/26/06/22/943260622.db2.gz XCTCGDPGPUHUIH-RUXDESIVSA-N 1 3 267.417 1.482 10 30 CDEEHO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001265655991 944459314 /nfs/dbraw/zinc/45/93/14/944459314.db2.gz UDKJUMMIKFIKTQ-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001265655991 944459316 /nfs/dbraw/zinc/45/93/16/944459316.db2.gz UDKJUMMIKFIKTQ-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[NH2+][C@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001266144513 944713077 /nfs/dbraw/zinc/71/30/77/944713077.db2.gz UBASNSBTJWWINO-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001266195646 944746013 /nfs/dbraw/zinc/74/60/13/944746013.db2.gz XREPJKQKEFAVGO-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479833349 971442139 /nfs/dbraw/zinc/44/21/39/971442139.db2.gz XVYCBQWSCFUOKI-JKSUJKDBSA-N 1 3 293.455 1.709 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001569099145 1169643992 /nfs/dbraw/zinc/64/39/92/1169643992.db2.gz RZBSTXROLSNOFJ-AWEZNQCLSA-N 1 3 287.407 1.479 10 30 CDEEHO C=CC[NH2+][C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001491599580 955308256 /nfs/dbraw/zinc/30/82/56/955308256.db2.gz ADBBNJOOYPRCGZ-ZIAGYGMSSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001328960910 955583162 /nfs/dbraw/zinc/58/31/62/955583162.db2.gz JTQAADHHPTVXSE-NRXISQOPSA-N 1 3 279.428 1.531 10 30 CDEEHO C#CC[N@@H+](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001331054557 956791756 /nfs/dbraw/zinc/79/17/56/956791756.db2.gz TZACPWDLEJRCBU-UHFFFAOYSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CC[N@H+](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001331054557 956791764 /nfs/dbraw/zinc/79/17/64/956791764.db2.gz TZACPWDLEJRCBU-UHFFFAOYSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001316809280 957031843 /nfs/dbraw/zinc/03/18/43/957031843.db2.gz BJPMJXCOOGHPBX-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001331529631 957122297 /nfs/dbraw/zinc/12/22/97/957122297.db2.gz LTCBLAPSUZXXGH-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001331529631 957122304 /nfs/dbraw/zinc/12/23/04/957122304.db2.gz LTCBLAPSUZXXGH-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317532535 957533609 /nfs/dbraw/zinc/53/36/09/957533609.db2.gz LOFQPFJIZNGQFP-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317532535 957533612 /nfs/dbraw/zinc/53/36/12/957533612.db2.gz LOFQPFJIZNGQFP-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001317678530 957636587 /nfs/dbraw/zinc/63/65/87/957636587.db2.gz FOZIJZYHAXYJFJ-GDBMZVCRSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001318356194 958052952 /nfs/dbraw/zinc/05/29/52/958052952.db2.gz VQCDMURXOQMAKC-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001318356194 958052966 /nfs/dbraw/zinc/05/29/66/958052966.db2.gz VQCDMURXOQMAKC-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+]C[C@](C)(NC(=O)CN(C)CCC)C1CC1 ZINC001318726645 958246846 /nfs/dbraw/zinc/24/68/46/958246846.db2.gz AEUCLRCEIJRBLR-INIZCTEOSA-N 1 3 279.428 1.226 10 30 CDEEHO C=C(C)C[NH2+]C[C@@](C)(NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001495278592 972463043 /nfs/dbraw/zinc/46/30/43/972463043.db2.gz WWOTUUCWDXOCRY-WMLDXEAASA-N 1 3 293.455 1.779 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCCC=C)CC1 ZINC001321755869 959932321 /nfs/dbraw/zinc/93/23/21/959932321.db2.gz HTFRGBXIMYNWKO-OAHLLOKOSA-N 1 3 291.439 1.392 10 30 CDEEHO C#CCC[C@H](O)C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001560991738 961045425 /nfs/dbraw/zinc/04/54/25/961045425.db2.gz PUKBHLYHUBZILK-CGZBRXJRSA-N 1 3 294.439 1.384 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001528459078 968856498 /nfs/dbraw/zinc/85/64/98/968856498.db2.gz ZVNNRRKNMNNDDN-ARFHVFGLSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001528459078 968856507 /nfs/dbraw/zinc/85/65/07/968856507.db2.gz ZVNNRRKNMNNDDN-ARFHVFGLSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001496453142 972925594 /nfs/dbraw/zinc/92/55/94/972925594.db2.gz XPLOZKYFEHSUFA-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001499935896 974339468 /nfs/dbraw/zinc/33/94/68/974339468.db2.gz PTVGWTYLACFDAF-INIZCTEOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCC1 ZINC001502029388 974677207 /nfs/dbraw/zinc/67/72/07/974677207.db2.gz WIGSQBKYFIHQBY-OKILXGFUSA-N 1 3 279.428 1.674 10 30 CDEEHO C=CCC[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001508156740 975625708 /nfs/dbraw/zinc/62/57/08/975625708.db2.gz ZULJINYRRFDJQV-UHFFFAOYSA-N 1 3 267.417 1.482 10 30 CDEEHO C=CCN1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001508230140 975646972 /nfs/dbraw/zinc/64/69/72/975646972.db2.gz QUWGDELFEVXVPR-OAHLLOKOSA-N 1 3 279.428 1.507 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001380406745 976410615 /nfs/dbraw/zinc/41/06/15/976410615.db2.gz XANKFKRNOAVRRO-DZGCQCFKSA-N 1 3 299.846 1.661 10 30 CDEEHO CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H](CC)N(C)C)C(C)C ZINC001675141158 1174079131 /nfs/dbraw/zinc/07/91/31/1174079131.db2.gz VPZVGGYTQQGBQA-HOTGVXAUSA-N 1 3 295.471 1.813 10 30 CDEEHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H](N)CCCCC#N ZINC000594438187 342906175 /nfs/dbraw/zinc/90/61/75/342906175.db2.gz RECYTKGXHSZRRN-MGPQQGTHSA-N 1 3 280.416 1.196 10 30 CDEEHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H](N)CCCCC#N ZINC000594438187 342906177 /nfs/dbraw/zinc/90/61/77/342906177.db2.gz RECYTKGXHSZRRN-MGPQQGTHSA-N 1 3 280.416 1.196 10 30 CDEEHO CCC[NH+]1CCC(CNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594440449 342907062 /nfs/dbraw/zinc/90/70/62/342907062.db2.gz CKNLSVRZFRSNQL-OAHLLOKOSA-N 1 3 294.443 1.636 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000594443059 342907729 /nfs/dbraw/zinc/90/77/29/342907729.db2.gz ZJIRISLDUJNJPQ-CQSZACIVSA-N 1 3 292.427 1.390 10 30 CDEEHO N#CC1(C[C@@H](O)CNCCC[NH+]2CCCCC2)CC1 ZINC000600716506 342244330 /nfs/dbraw/zinc/24/43/30/342244330.db2.gz YEARBSJXPSMXMZ-CQSZACIVSA-N 1 3 265.401 1.507 10 30 CDEEHO C[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)CN1CCCCC1 ZINC000600722219 342244828 /nfs/dbraw/zinc/24/48/28/342244828.db2.gz ZNFYRMLLODPDHJ-GJZGRUSLSA-N 1 3 279.428 1.753 10 30 CDEEHO C[C@@H](CNC[C@@H](O)CC1(C#N)CC1)C[NH+]1CCCCC1 ZINC000600722219 342244829 /nfs/dbraw/zinc/24/48/29/342244829.db2.gz ZNFYRMLLODPDHJ-GJZGRUSLSA-N 1 3 279.428 1.753 10 30 CDEEHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594425153 342904404 /nfs/dbraw/zinc/90/44/04/342904404.db2.gz KDWKYKXQVHOKGI-AVGNSLFASA-N 1 3 266.389 1.126 10 30 CDEEHO C=CCNC(=[NH+]CC(C)(C)CN(C)C)N1CCOCC1 ZINC000072272399 356717449 /nfs/dbraw/zinc/71/74/49/356717449.db2.gz FIVVABKCNGFVEB-UHFFFAOYSA-N 1 3 282.432 1.038 10 30 CDEEHO CCCNC(=[NH2+])NCC1(N2CCCCC2)CCN(C)CC1 ZINC000304781860 370789638 /nfs/dbraw/zinc/78/96/38/370789638.db2.gz GMVQIOJYJBAWOB-UHFFFAOYSA-N 1 3 295.475 1.251 10 30 CDEEHO C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001663633469 1172737843 /nfs/dbraw/zinc/73/78/43/1172737843.db2.gz GHAPDVSZXNBTKM-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001663633469 1172737851 /nfs/dbraw/zinc/73/78/51/1172737851.db2.gz GHAPDVSZXNBTKM-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+]CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001664394777 1172849173 /nfs/dbraw/zinc/84/91/73/1172849173.db2.gz HLKMJSGUSHGKBL-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001664457020 1172855258 /nfs/dbraw/zinc/85/52/58/1172855258.db2.gz GLLVNYJSUFQGLF-LBPRGKRZSA-N 1 3 276.384 1.355 10 30 CDEEHO C=CC[C@]1(C(=O)N2CCC[C@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000662691265 413323775 /nfs/dbraw/zinc/32/37/75/413323775.db2.gz IPTGKPWKVBQEGP-DOTOQJQBSA-N 1 3 291.439 1.772 10 30 CDEEHO COCCN(Cc1sccc1C#CC[NH3+])[C@H](C)COC ZINC000043684205 175093344 /nfs/dbraw/zinc/09/33/44/175093344.db2.gz BOSNXTDTJWOPGV-CYBMUJFWSA-N 1 3 296.436 1.542 10 30 CDEEHO [NH3+]CC#Cc1csc(CN2CCC(O)CC2)c1 ZINC000043688833 175095710 /nfs/dbraw/zinc/09/57/10/175095710.db2.gz LZPFPMBVIHAVAH-UHFFFAOYSA-N 1 3 250.367 1.015 10 30 CDEEHO C=CCN1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652147620 423959542 /nfs/dbraw/zinc/95/95/42/423959542.db2.gz YQYCDPMRIGSPNB-UHFFFAOYSA-N 1 3 280.416 1.065 10 30 CDEEHO C#CCN(C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267114475 1159127363 /nfs/dbraw/zinc/12/73/63/1159127363.db2.gz GJOSLJNWNQFNPS-MRXNPFEDSA-N 1 3 291.439 1.418 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC=C)CC1 ZINC001725131019 1159137064 /nfs/dbraw/zinc/13/70/64/1159137064.db2.gz SIWBCDAZVBRIRG-KGLIPLIRSA-N 1 3 277.412 1.000 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+]CC)CC1 ZINC001485751530 1161284952 /nfs/dbraw/zinc/28/49/52/1161284952.db2.gz OAXGTOHQWJAIMC-CQSZACIVSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001689184440 1175107309 /nfs/dbraw/zinc/10/73/09/1175107309.db2.gz DVNUGMOBJWCHRF-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO N#Cc1cccc(C[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000903957032 626157856 /nfs/dbraw/zinc/15/78/56/626157856.db2.gz PBAVCFZJMXAGSX-CYBMUJFWSA-N 1 3 265.307 1.893 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000912306723 629916778 /nfs/dbraw/zinc/91/67/78/629916778.db2.gz MLLTXBWQCUBHKO-CYBMUJFWSA-N 1 3 253.390 1.047 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001570634648 1170217372 /nfs/dbraw/zinc/21/73/72/1170217372.db2.gz XGJSCBLQMJTVAQ-CHWSQXEVSA-N 1 3 267.417 1.080 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001668279747 1173391742 /nfs/dbraw/zinc/39/17/42/1173391742.db2.gz XDRLZRLLPRCVPP-QWHCGFSZSA-N 1 3 255.406 1.387 10 30 CDEEHO C#CCC[NH2+]C/C=C\CNC(=O)c1cccc(CN(C)C)c1 ZINC001669200762 1173517552 /nfs/dbraw/zinc/51/75/52/1173517552.db2.gz IMWIJOLVZRSVIX-SREVYHEPSA-N 1 3 299.418 1.647 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001698861187 1175967237 /nfs/dbraw/zinc/96/72/37/1175967237.db2.gz NAJBJAFGWLGAHY-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001699003999 1176035625 /nfs/dbraw/zinc/03/56/25/1176035625.db2.gz KNBKFVKIEPZPKC-UHFFFAOYSA-N 1 3 281.444 1.829 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001700179150 1176784042 /nfs/dbraw/zinc/78/40/42/1176784042.db2.gz OGCKFRCEPLMJGT-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001700179150 1176784044 /nfs/dbraw/zinc/78/40/44/1176784044.db2.gz OGCKFRCEPLMJGT-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001700694241 1177080277 /nfs/dbraw/zinc/08/02/77/1177080277.db2.gz WFBQLKCZSCHVMY-UHFFFAOYSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCC[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001700694241 1177080283 /nfs/dbraw/zinc/08/02/83/1177080283.db2.gz WFBQLKCZSCHVMY-UHFFFAOYSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001700870112 1177171797 /nfs/dbraw/zinc/17/17/97/1177171797.db2.gz YRTFROOLSJQZKV-DOTOQJQBSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001714272354 1179057983 /nfs/dbraw/zinc/05/79/83/1179057983.db2.gz HYCOLEWDYMISDL-ZIAGYGMSSA-N 1 3 267.417 1.389 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001714277577 1179060929 /nfs/dbraw/zinc/06/09/29/1179060929.db2.gz BZVGAHFRCXIPRA-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)CC[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001715530764 1179703786 /nfs/dbraw/zinc/70/37/86/1179703786.db2.gz 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ZINC001724696583 1181726707 /nfs/dbraw/zinc/72/67/07/1181726707.db2.gz HIXZOHOUQDDERP-CABCVRRESA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]CCC)C2)CC1 ZINC001725076374 1181846671 /nfs/dbraw/zinc/84/66/71/1181846671.db2.gz QAJFKPRZYGQPEY-UHFFFAOYSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CCC[N@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001725816838 1182141327 /nfs/dbraw/zinc/14/13/27/1182141327.db2.gz LVHDMBLSVRJOOF-UHFFFAOYSA-N 1 3 291.439 1.795 10 30 CDEEHO C=CCC[N@@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001725816838 1182141331 /nfs/dbraw/zinc/14/13/31/1182141331.db2.gz LVHDMBLSVRJOOF-UHFFFAOYSA-N 1 3 291.439 1.795 10 30 CDEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC=C)CCC2)CC1 ZINC001733727884 1183511476 /nfs/dbraw/zinc/51/14/76/1183511476.db2.gz AKDLRZWSRMYBIT-UHFFFAOYSA-N 1 3 289.423 1.146 10 30 CDEEHO C#CC[C@H](Cc1ccccc1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000819304065 730554055 /nfs/dbraw/zinc/55/40/55/730554055.db2.gz BUJSVDMLRAIKPT-SJLPKXTDSA-N 1 3 286.419 1.666 10 30 CDEEHO C#CC[C@H](Cc1ccccc1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000819304065 730554058 /nfs/dbraw/zinc/55/40/58/730554058.db2.gz BUJSVDMLRAIKPT-SJLPKXTDSA-N 1 3 286.419 1.666 10 30 CDEEHO C#C[C@@H](CCC)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820087522 730692170 /nfs/dbraw/zinc/69/21/70/730692170.db2.gz WYMQQQPKYJBRPL-GJZGRUSLSA-N 1 3 296.459 1.360 10 30 CDEEHO C#C[C@@H](CCC)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820087522 730692171 /nfs/dbraw/zinc/69/21/71/730692171.db2.gz WYMQQQPKYJBRPL-GJZGRUSLSA-N 1 3 296.459 1.360 10 30 CDEEHO CN(CCNC(=O)C#CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000852861983 730769891 /nfs/dbraw/zinc/76/98/91/730769891.db2.gz OXUKUJOKINZUEP-UHFFFAOYSA-N 1 3 299.418 1.238 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000876742850 730851623 /nfs/dbraw/zinc/85/16/23/730851623.db2.gz XKZZHRAWEFWSJK-STQMWFEESA-N 1 3 285.819 1.543 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000876724356 730920018 /nfs/dbraw/zinc/92/00/18/730920018.db2.gz 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ZINC001267256966 897358151 /nfs/dbraw/zinc/35/81/51/897358151.db2.gz JYKXSWJFHFFOSJ-UHFFFAOYSA-N 1 3 297.418 1.129 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)CCCF)CC1 ZINC001267256966 897358166 /nfs/dbraw/zinc/35/81/66/897358166.db2.gz JYKXSWJFHFFOSJ-UHFFFAOYSA-N 1 3 297.418 1.129 10 30 CDEEHO C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001267493224 898149007 /nfs/dbraw/zinc/14/90/07/898149007.db2.gz DPBZNHIPRBYRIW-ZBFHGGJFSA-N 1 3 293.455 1.423 10 30 CDEEHO C=CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001268270819 901717593 /nfs/dbraw/zinc/71/75/93/901717593.db2.gz QHBDZWUDROOPFN-GJZGRUSLSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001268270819 901717601 /nfs/dbraw/zinc/71/76/01/901717601.db2.gz QHBDZWUDROOPFN-GJZGRUSLSA-N 1 3 279.428 1.437 10 30 CDEEHO C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCN1CCC ZINC001269413446 903791198 /nfs/dbraw/zinc/79/11/98/903791198.db2.gz VAAUVQCRBGCTNY-GJZGRUSLSA-N 1 3 279.428 1.369 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001482221327 903833050 /nfs/dbraw/zinc/83/30/50/903833050.db2.gz FDMKAHNKWKPWHH-UHFFFAOYSA-N 1 3 291.439 1.513 10 30 CDEEHO C#CCNCc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001270082383 904336690 /nfs/dbraw/zinc/33/66/90/904336690.db2.gz WBPJDNAIGBQDQH-UHFFFAOYSA-N 1 3 297.402 1.121 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)C(C)C ZINC001482529612 906844461 /nfs/dbraw/zinc/84/44/61/906844461.db2.gz KIUUFISIBGGVFX-CVEARBPZSA-N 1 3 293.455 1.613 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]C(C)C)C(C)C)CC1 ZINC001482571480 907280411 /nfs/dbraw/zinc/28/04/11/907280411.db2.gz IMHKVLICDHWLLL-INIZCTEOSA-N 1 3 293.455 1.470 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H](CC)N(C)C ZINC001567976701 1169104400 /nfs/dbraw/zinc/10/44/00/1169104400.db2.gz IRHRLYKMWZJUAL-STQMWFEESA-N 1 3 255.406 1.387 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCN1CCC ZINC001485252881 916695709 /nfs/dbraw/zinc/69/57/09/916695709.db2.gz RPIQOZQGZGVTAH-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CN1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001485534094 917075918 /nfs/dbraw/zinc/07/59/18/917075918.db2.gz YGZLEPAWXUFUFQ-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001485827204 918942896 /nfs/dbraw/zinc/94/28/96/918942896.db2.gz ONYZRTJBQCIZNE-GOEBONIOSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001568300476 1169231100 /nfs/dbraw/zinc/23/11/00/1169231100.db2.gz RQQIECWUHVJPAX-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CC[NH+]1CCC([C@@H](C)NC(=O)CN(C)C2CCC2)CC1 ZINC001486437562 921015929 /nfs/dbraw/zinc/01/59/29/921015929.db2.gz APHSFBVABKWAOG-CQSZACIVSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001486476627 921052374 /nfs/dbraw/zinc/05/23/74/921052374.db2.gz HDALRYXJRVNWSO-NRXISQOPSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491028806 936843902 /nfs/dbraw/zinc/84/39/02/936843902.db2.gz RIRAETHUHJYQMG-ZNMIVQPWSA-N 1 3 281.444 1.776 10 30 CDEEHO C=CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001490270750 927068102 /nfs/dbraw/zinc/06/81/02/927068102.db2.gz GZHBQCNEEVOQBN-ZDUSSCGKSA-N 1 3 255.406 1.197 10 30 CDEEHO C=CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001490270750 927068114 /nfs/dbraw/zinc/06/81/14/927068114.db2.gz GZHBQCNEEVOQBN-ZDUSSCGKSA-N 1 3 255.406 1.197 10 30 CDEEHO C=C(Cl)C[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001276047851 932471347 /nfs/dbraw/zinc/47/13/47/932471347.db2.gz HBHNXTVDJYOZPP-UHFFFAOYSA-N 1 3 287.835 1.661 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001122202584 937912597 /nfs/dbraw/zinc/91/25/97/937912597.db2.gz NUIXMXOYWDFORU-ZIAGYGMSSA-N 1 3 295.427 1.026 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001280198575 942423806 /nfs/dbraw/zinc/42/38/06/942423806.db2.gz SVEWUFLCZREMGF-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001281411051 942573236 /nfs/dbraw/zinc/57/32/36/942573236.db2.gz ZCIGXWIHMNXBTO-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C(C)(C)C ZINC001332804840 943305906 /nfs/dbraw/zinc/30/59/06/943305906.db2.gz BKSUMTHFKPMAAO-UONOGXRCSA-N 1 3 299.434 1.420 10 30 CDEEHO C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001263991974 944055553 /nfs/dbraw/zinc/05/55/53/944055553.db2.gz XFBJOHJGOHTXRU-ZBFHGGJFSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001264742773 944173265 /nfs/dbraw/zinc/17/32/65/944173265.db2.gz GSNDRUAZQLEJGF-GJZGRUSLSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001264742773 944173271 /nfs/dbraw/zinc/17/32/71/944173271.db2.gz GSNDRUAZQLEJGF-GJZGRUSLSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001265225394 944284062 /nfs/dbraw/zinc/28/40/62/944284062.db2.gz XBARQJLQZLZWTM-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001265225394 944284068 /nfs/dbraw/zinc/28/40/68/944284068.db2.gz XBARQJLQZLZWTM-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001479696036 971369043 /nfs/dbraw/zinc/36/90/43/971369043.db2.gz SDXCVASBLYBPDE-OAHLLOKOSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001326363950 954339804 /nfs/dbraw/zinc/33/98/04/954339804.db2.gz IMYBORQHNISSEX-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001329102392 955684768 /nfs/dbraw/zinc/68/47/68/955684768.db2.gz DDEOKDMCYKFSLV-OLZOCXBDSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CCN[C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001331576997 957148650 /nfs/dbraw/zinc/14/86/50/957148650.db2.gz ZCLNFIBTWKUWTD-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001331576997 957148657 /nfs/dbraw/zinc/14/86/57/957148657.db2.gz ZCLNFIBTWKUWTD-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001317414957 957461028 /nfs/dbraw/zinc/46/10/28/957461028.db2.gz GEXZYSSSBCGCCW-CABCVRRESA-N 1 3 279.428 1.369 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001317423051 957465458 /nfs/dbraw/zinc/46/54/58/957465458.db2.gz JBFBHKFJHFNNOQ-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001317423051 957465461 /nfs/dbraw/zinc/46/54/61/957465461.db2.gz JBFBHKFJHFNNOQ-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317862635 957699599 /nfs/dbraw/zinc/69/95/99/957699599.db2.gz INNIMGKTSIFDJO-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317862635 957699606 /nfs/dbraw/zinc/69/96/06/957699606.db2.gz INNIMGKTSIFDJO-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001336004689 960147427 /nfs/dbraw/zinc/14/74/27/960147427.db2.gz VRKHTYOPSDYPJE-KBPBESRZSA-N 1 3 294.443 1.263 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001344374080 964290693 /nfs/dbraw/zinc/29/06/93/964290693.db2.gz KJAKHJKYYPAINI-YUELXQCFSA-N 1 3 265.401 1.128 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001347814385 965710082 /nfs/dbraw/zinc/71/00/82/965710082.db2.gz VAIVPKKZGTXWLQ-OAHLLOKOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[NH+]1CCC(C)(NC(=O)CN(C)CCC)CC1 ZINC001569577540 1169929655 /nfs/dbraw/zinc/92/96/55/1169929655.db2.gz WHWBUNYSRMUWMF-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCN1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001500292432 974415740 /nfs/dbraw/zinc/41/57/40/974415740.db2.gz JGEKHRQPCFUELK-INIZCTEOSA-N 1 3 279.428 1.629 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001501091132 974531276 /nfs/dbraw/zinc/53/12/76/974531276.db2.gz LFUSTKKKDXOXBS-GJZGRUSLSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001505455497 974885622 /nfs/dbraw/zinc/88/56/22/974885622.db2.gz BQSZKYYBZVRAPE-LSDHHAIUSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001505455497 974885628 /nfs/dbraw/zinc/88/56/28/974885628.db2.gz BQSZKYYBZVRAPE-LSDHHAIUSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001406076915 976006231 /nfs/dbraw/zinc/00/62/31/976006231.db2.gz VOOZZZGTNIFQGE-CHWSQXEVSA-N 1 3 287.835 1.421 10 30 CDEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001406076915 976006246 /nfs/dbraw/zinc/00/62/46/976006246.db2.gz VOOZZZGTNIFQGE-CHWSQXEVSA-N 1 3 287.835 1.421 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001674480106 1173952871 /nfs/dbraw/zinc/95/28/71/1173952871.db2.gz BZHATIMQRHNRJJ-HRCADAONSA-N 1 3 293.455 1.826 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001674480106 1173952877 /nfs/dbraw/zinc/95/28/77/1173952877.db2.gz BZHATIMQRHNRJJ-HRCADAONSA-N 1 3 293.455 1.826 10 30 CDEEHO C#CC[NH2+][C@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001675135235 1174079460 /nfs/dbraw/zinc/07/94/60/1174079460.db2.gz NPYOJRYAZJAJDL-CQSZACIVSA-N 1 3 276.384 1.048 10 30 CDEEHO C#CCC[NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001675185144 1174081885 /nfs/dbraw/zinc/08/18/85/1174081885.db2.gz JTUBPAAFJPULEA-OAHLLOKOSA-N 1 3 293.455 1.759 10 30 CDEEHO CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001570252144 1170121975 /nfs/dbraw/zinc/12/19/75/1170121975.db2.gz FLVNPZRETQLXDM-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CCCCC#N ZINC000594436717 342899876 /nfs/dbraw/zinc/89/98/76/342899876.db2.gz FWIUEIDHVPWVEJ-KFWWJZLASA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CCCCC#N ZINC000594436717 342899878 /nfs/dbraw/zinc/89/98/78/342899878.db2.gz FWIUEIDHVPWVEJ-KFWWJZLASA-N 1 3 294.443 1.634 10 30 CDEEHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000594438584 342906368 /nfs/dbraw/zinc/90/63/68/342906368.db2.gz OMXZJTOAPNOELL-KGLIPLIRSA-N 1 3 280.416 1.388 10 30 CDEEHO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000594438584 342906370 /nfs/dbraw/zinc/90/63/70/342906370.db2.gz OMXZJTOAPNOELL-KGLIPLIRSA-N 1 3 280.416 1.388 10 30 CDEEHO C[NH+](C)CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349848286 360948915 /nfs/dbraw/zinc/94/89/15/360948915.db2.gz AETCVJUIDRTZOD-INIZCTEOSA-N 1 3 298.390 1.699 10 30 CDEEHO CC(C#N)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427153051 390912107 /nfs/dbraw/zinc/91/21/07/390912107.db2.gz OXUWYCKRRNHZAG-KGLIPLIRSA-N 1 3 279.384 1.249 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@H]2CCCN2CC)CCC[NH2+]1 ZINC000662661192 413265093 /nfs/dbraw/zinc/26/50/93/413265093.db2.gz MIUXJPZPNHPCCE-HIFRSBDPSA-N 1 3 265.401 1.285 10 30 CDEEHO COCCN(Cc1cc(C#CC[NH3+])cs1)[C@H](C)COC ZINC000043689111 175095626 /nfs/dbraw/zinc/09/56/26/175095626.db2.gz MKSWQQXCVRDWAG-CYBMUJFWSA-N 1 3 296.436 1.542 10 30 CDEEHO CN(C)C1CC[NH+](CCCC[C@@](C)(N)C#N)CC1 ZINC000045311132 175356127 /nfs/dbraw/zinc/35/61/27/175356127.db2.gz NRRWTICRNRMKLD-CQSZACIVSA-N 1 3 252.406 1.424 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001666120022 1173111720 /nfs/dbraw/zinc/11/17/20/1173111720.db2.gz LRKDBQOMIHKRDJ-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH+]1CCC(N[C@@H](C)c2cnccc2N)CC1 ZINC000422855035 330157937 /nfs/dbraw/zinc/15/79/37/330157937.db2.gz BWEKPEVBWNBLKD-LBPRGKRZSA-N 1 3 260.385 1.795 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001692263943 1159229359 /nfs/dbraw/zinc/22/93/59/1159229359.db2.gz VBSLROMKBQTOHN-CABCVRRESA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001692263943 1159229362 /nfs/dbraw/zinc/22/93/62/1159229362.db2.gz VBSLROMKBQTOHN-CABCVRRESA-N 1 3 279.428 1.437 10 30 CDEEHO C#CCCN(C)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001700976228 1160196131 /nfs/dbraw/zinc/19/61/31/1160196131.db2.gz LHQHCAUOEPOEJY-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCCN(C)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001700976228 1160196133 /nfs/dbraw/zinc/19/61/33/1160196133.db2.gz LHQHCAUOEPOEJY-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCNCCN(CC)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482925066 1160646962 /nfs/dbraw/zinc/64/69/62/1160646962.db2.gz WYSJHOYVWHGOJT-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO CC(C)N1CCN(Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049609281 519682307 /nfs/dbraw/zinc/68/23/07/519682307.db2.gz USTRTHNORKGMGC-UHFFFAOYSA-N 1 3 289.398 1.662 10 30 CDEEHO CCN[C@H](C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000062436810 520160340 /nfs/dbraw/zinc/16/03/40/520160340.db2.gz SZDNYCZMRGKKLS-AWEZNQCLSA-N 1 3 252.406 1.152 10 30 CDEEHO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(C#CCN)cc1 ZINC000061655670 521863071 /nfs/dbraw/zinc/86/30/71/521863071.db2.gz ANHJRXGRVCFBRS-MRXNPFEDSA-N 1 3 285.391 1.163 10 30 CDEEHO COc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1C#CCN ZINC000049608287 524027873 /nfs/dbraw/zinc/02/78/73/524027873.db2.gz UZDHCZIAPJNFBV-ZDUSSCGKSA-N 1 3 258.365 1.990 10 30 CDEEHO COc1ccc(C[N@H+]2CCC[C@@H]2C)cc1C#CCN ZINC000049608287 524027875 /nfs/dbraw/zinc/02/78/75/524027875.db2.gz UZDHCZIAPJNFBV-ZDUSSCGKSA-N 1 3 258.365 1.990 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001688903240 1175062462 /nfs/dbraw/zinc/06/24/62/1175062462.db2.gz AHAGRPVGCKRZFV-OWCLPIDISA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCN(C)CCCNC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001637962984 1166806957 /nfs/dbraw/zinc/80/69/57/1166806957.db2.gz LORTXTYXPKLNDK-UHFFFAOYSA-N 1 3 293.455 1.426 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001565845915 1168184018 /nfs/dbraw/zinc/18/40/18/1168184018.db2.gz ZYYOLCGYQCMBJX-HZSPNIEDSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001566813723 1168431398 /nfs/dbraw/zinc/43/13/98/1168431398.db2.gz LSKAXKDEESSONC-QAQDUYKDSA-N 1 3 299.418 1.622 10 30 CDEEHO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001571367257 1170388283 /nfs/dbraw/zinc/38/82/83/1170388283.db2.gz FOVPELJZAKROCJ-HUUCEWRRSA-N 1 3 279.428 1.032 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001661136821 1172341184 /nfs/dbraw/zinc/34/11/84/1172341184.db2.gz MCFFKFMMTOWTLA-CQSZACIVSA-N 1 3 279.428 1.531 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001661136819 1172341495 /nfs/dbraw/zinc/34/14/95/1172341495.db2.gz MCFFKFMMTOWTLA-AWEZNQCLSA-N 1 3 279.428 1.531 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001675360205 1174107120 /nfs/dbraw/zinc/10/71/20/1174107120.db2.gz USOYJROJIOPCAG-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001698766642 1175923820 /nfs/dbraw/zinc/92/38/20/1175923820.db2.gz PBGQMAPLWNJLLX-JKSUJKDBSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001698767371 1175925181 /nfs/dbraw/zinc/92/51/81/1175925181.db2.gz UNDZRJBFHLOEBZ-JKSUJKDBSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001699931548 1176686806 /nfs/dbraw/zinc/68/68/06/1176686806.db2.gz DMGCSFSAZGJZOG-KGLIPLIRSA-N 1 3 279.428 1.483 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001700550585 1177009899 /nfs/dbraw/zinc/00/98/99/1177009899.db2.gz OUMBXQZCZXILOU-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCCN1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001713255150 1178455818 /nfs/dbraw/zinc/45/58/18/1178455818.db2.gz GLKJSQNDDWQJAN-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)CN1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715023655 1179514307 /nfs/dbraw/zinc/51/43/07/1179514307.db2.gz PLNXHQACKHRENB-AWEZNQCLSA-N 1 3 279.428 1.437 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001715928729 1179922245 /nfs/dbraw/zinc/92/22/45/1179922245.db2.gz WULLQUCUBNWKFQ-KGLIPLIRSA-N 1 3 267.417 1.530 10 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C=CCCC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001733843264 1183547519 /nfs/dbraw/zinc/54/75/19/1183547519.db2.gz AFUCYVPZEYKJPG-ZBFHGGJFSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCCN1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001734152847 1183676607 /nfs/dbraw/zinc/67/66/07/1183676607.db2.gz MHKLEIILABWKJS-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCCN1C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001734152847 1183676609 /nfs/dbraw/zinc/67/66/09/1183676609.db2.gz MHKLEIILABWKJS-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000876939903 735851249 /nfs/dbraw/zinc/85/12/49/735851249.db2.gz OAZVGSQXGJRRON-MNOVXSKESA-N 1 3 271.792 1.247 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000876723460 733529661 /nfs/dbraw/zinc/52/96/61/733529661.db2.gz BAYDQUIGCJUSJG-CYBMUJFWSA-N 1 3 287.835 1.837 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000876723460 733529663 /nfs/dbraw/zinc/52/96/63/733529663.db2.gz BAYDQUIGCJUSJG-CYBMUJFWSA-N 1 3 287.835 1.837 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000876884673 733723726 /nfs/dbraw/zinc/72/37/26/733723726.db2.gz RNHHCHOSBJMAFE-BPCQOVAHSA-N 1 3 285.819 1.589 10 30 CDEEHO C=CCC[C@@H](O)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262601 734139900 /nfs/dbraw/zinc/13/99/00/734139900.db2.gz QCXLQZZHQXHKHG-GOEBONIOSA-N 1 3 275.396 1.919 10 30 CDEEHO CC(C)CNC(=[NH2+])NCCN(C)C1CCCCC1 ZINC000303908854 734188116 /nfs/dbraw/zinc/18/81/16/734188116.db2.gz XVOMFQJFTGVLNG-UHFFFAOYSA-N 1 3 254.422 1.811 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000876717702 734960470 /nfs/dbraw/zinc/96/04/70/734960470.db2.gz JQKPLRHPMUFHPP-CQSZACIVSA-N 1 3 299.846 1.933 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000876913280 735062070 /nfs/dbraw/zinc/06/20/70/735062070.db2.gz PRBIXFLNPISDBX-MNOVXSKESA-N 1 3 259.781 1.090 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000876956176 735175856 /nfs/dbraw/zinc/17/58/56/735175856.db2.gz FRXXAPAACHQDQM-ZIAGYGMSSA-N 1 3 299.846 1.695 10 30 CDEEHO C=CCC[C@H](O)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262603 735764901 /nfs/dbraw/zinc/76/49/01/735764901.db2.gz QCXLQZZHQXHKHG-ZBFHGGJFSA-N 1 3 275.396 1.919 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000876716685 735999859 /nfs/dbraw/zinc/99/98/59/735999859.db2.gz KCTLQJRGGRXEDH-NWDGAFQWSA-N 1 3 275.824 1.549 10 30 CDEEHO C=CCNC(=O)CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156690 736010525 /nfs/dbraw/zinc/01/05/25/736010525.db2.gz CJHUCFZRRIOULS-GOEBONIOSA-N 1 3 293.455 1.908 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000876723214 1165900102 /nfs/dbraw/zinc/90/01/02/1165900102.db2.gz PZDWRYWXLQYCGW-JQWIXIFHSA-N 1 3 273.808 1.304 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000876723214 1165900106 /nfs/dbraw/zinc/90/01/06/1165900106.db2.gz PZDWRYWXLQYCGW-JQWIXIFHSA-N 1 3 273.808 1.304 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001566602221 1168352558 /nfs/dbraw/zinc/35/25/58/1168352558.db2.gz QFNMJXAHSLNGDT-HNNXBMFYSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001566602221 1168352563 /nfs/dbraw/zinc/35/25/63/1168352563.db2.gz QFNMJXAHSLNGDT-HNNXBMFYSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001566871742 1168452557 /nfs/dbraw/zinc/45/25/57/1168452557.db2.gz JVUZOBQERKLKQQ-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001566871742 1168452562 /nfs/dbraw/zinc/45/25/62/1168452562.db2.gz JVUZOBQERKLKQQ-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001272474529 913180972 /nfs/dbraw/zinc/18/09/72/913180972.db2.gz HSFZXFFCOKOPRI-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001266617543 895597585 /nfs/dbraw/zinc/59/75/85/895597585.db2.gz NZSPRGVBBYDJJQ-OAHLLOKOSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001266617543 895597589 /nfs/dbraw/zinc/59/75/89/895597589.db2.gz NZSPRGVBBYDJJQ-OAHLLOKOSA-N 1 3 279.428 1.177 10 30 CDEEHO CC#CC[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001267493654 898149287 /nfs/dbraw/zinc/14/92/87/898149287.db2.gz KHYKDZZLAUYSPQ-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267589938 898601659 /nfs/dbraw/zinc/60/16/59/898601659.db2.gz ROEGKHPWPZALSH-JKSUJKDBSA-N 1 3 293.455 1.376 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267589938 898601668 /nfs/dbraw/zinc/60/16/68/898601668.db2.gz ROEGKHPWPZALSH-JKSUJKDBSA-N 1 3 293.455 1.376 10 30 CDEEHO C#CCC[NH+]1CCC(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001267944691 900016838 /nfs/dbraw/zinc/01/68/38/900016838.db2.gz IBGLPTVFXNXPNQ-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001267964047 900096399 /nfs/dbraw/zinc/09/63/99/900096399.db2.gz ZPONZGRIMHIACQ-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CC[N@@H+](C)CCN(C)C(=O)c1sccc1CN(C)C ZINC001268240237 901646962 /nfs/dbraw/zinc/64/69/62/901646962.db2.gz VIZULHHMPNPBJD-UHFFFAOYSA-N 1 3 293.436 1.447 10 30 CDEEHO C#CC[N@H+](C)CCN(C)C(=O)c1sccc1CN(C)C ZINC001268240237 901646968 /nfs/dbraw/zinc/64/69/68/901646968.db2.gz VIZULHHMPNPBJD-UHFFFAOYSA-N 1 3 293.436 1.447 10 30 CDEEHO C=CC[NH2+]C[C@@](C)(NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001481941873 902383062 /nfs/dbraw/zinc/38/30/62/902383062.db2.gz YIAQTTJVGXAOBU-CZUORRHYSA-N 1 3 279.428 1.389 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C(C)C ZINC001271836527 906880871 /nfs/dbraw/zinc/88/08/71/906880871.db2.gz AZJMYWBZXXRQIS-HOTGVXAUSA-N 1 3 293.455 1.613 10 30 CDEEHO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001482838980 908415025 /nfs/dbraw/zinc/41/50/25/908415025.db2.gz HFBGWDMKFVPKNI-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483379843 911023959 /nfs/dbraw/zinc/02/39/59/911023959.db2.gz XUAZFIGPIYUFGE-RDBSUJKOSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483379843 911023974 /nfs/dbraw/zinc/02/39/74/911023974.db2.gz XUAZFIGPIYUFGE-RDBSUJKOSA-N 1 3 267.417 1.339 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001507426102 911112906 /nfs/dbraw/zinc/11/29/06/911112906.db2.gz FVYAIQMEIXXQPA-GJZGRUSLSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001483951640 915235143 /nfs/dbraw/zinc/23/51/43/915235143.db2.gz IRPIOCJNMHQFBT-GJZGRUSLSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484358131 915669741 /nfs/dbraw/zinc/66/97/41/915669741.db2.gz UOZRDRVRQCUZIN-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001568262152 1169205679 /nfs/dbraw/zinc/20/56/79/1169205679.db2.gz CXDJFFQBBPABIP-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001325405384 919497750 /nfs/dbraw/zinc/49/77/50/919497750.db2.gz FZFQFKDEMSSZDG-HUUCEWRRSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001276388747 936729461 /nfs/dbraw/zinc/72/94/61/936729461.db2.gz KYCNAOIVCIJAKQ-HOCLYGCPSA-N 1 3 295.471 1.975 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491161260 936867146 /nfs/dbraw/zinc/86/71/46/936867146.db2.gz VYVBTEMNQWKPQU-HOTGVXAUSA-N 1 3 293.455 1.424 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001275177897 931691231 /nfs/dbraw/zinc/69/12/31/931691231.db2.gz XUVGAYFMGCAPMR-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001275177897 931691234 /nfs/dbraw/zinc/69/12/34/931691234.db2.gz XUVGAYFMGCAPMR-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001275827981 932072852 /nfs/dbraw/zinc/07/28/52/932072852.db2.gz QETCCMBLZHJWQT-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001275827981 932072855 /nfs/dbraw/zinc/07/28/55/932072855.db2.gz QETCCMBLZHJWQT-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001490856936 934560771 /nfs/dbraw/zinc/56/07/71/934560771.db2.gz VDSCTKMSZDGPGE-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001331462916 945173070 /nfs/dbraw/zinc/17/30/70/945173070.db2.gz ZIZOLWHRDUSMCP-ZIAGYGMSSA-N 1 3 285.407 1.126 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001277151508 942059430 /nfs/dbraw/zinc/05/94/30/942059430.db2.gz UPBUHPFXIBLTSX-OAHLLOKOSA-N 1 3 291.439 1.370 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001277151508 942059436 /nfs/dbraw/zinc/05/94/36/942059436.db2.gz UPBUHPFXIBLTSX-OAHLLOKOSA-N 1 3 291.439 1.370 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001280883208 942502298 /nfs/dbraw/zinc/50/22/98/942502298.db2.gz GSTDJJAHWILWAP-UHFFFAOYSA-N 1 3 293.455 1.666 10 30 CDEEHO C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001281751138 942616912 /nfs/dbraw/zinc/61/69/12/942616912.db2.gz KKQXAMZJCYAFTI-GJZGRUSLSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001284025998 943052517 /nfs/dbraw/zinc/05/25/17/943052517.db2.gz NTIGUFRRJSMLKL-QWHCGFSZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001284545363 943206262 /nfs/dbraw/zinc/20/62/62/943206262.db2.gz NZFPMZDXULSCGS-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001284545363 943206267 /nfs/dbraw/zinc/20/62/67/943206267.db2.gz NZFPMZDXULSCGS-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CC[N@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284958495 943301176 /nfs/dbraw/zinc/30/11/76/943301176.db2.gz XRJIPSFYUDRHNZ-CQSZACIVSA-N 1 3 277.412 1.263 10 30 CDEEHO C=CC[N@@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284958495 943301179 /nfs/dbraw/zinc/30/11/79/943301179.db2.gz XRJIPSFYUDRHNZ-CQSZACIVSA-N 1 3 277.412 1.263 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NCC1CC[NH+](CCC)CC1 ZINC001263096911 943743098 /nfs/dbraw/zinc/74/30/98/943743098.db2.gz GPVTYCFAGZDOHN-OAHLLOKOSA-N 1 3 281.444 1.908 10 30 CDEEHO C=C(C)CN1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001264169837 944090802 /nfs/dbraw/zinc/09/08/02/944090802.db2.gz XZFORQCJSQKKRI-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001265623922 944449864 /nfs/dbraw/zinc/44/98/64/944449864.db2.gz GWBZUNCTYFROOY-HNNXBMFYSA-N 1 3 293.455 1.426 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001278612825 950459288 /nfs/dbraw/zinc/45/92/88/950459288.db2.gz GTUSEHUIWZAVMW-CABCVRRESA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001324896937 953627474 /nfs/dbraw/zinc/62/74/74/953627474.db2.gz DTALVTQXGWQNTQ-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001316642792 953728485 /nfs/dbraw/zinc/72/84/85/953728485.db2.gz WALQXLOCVSAPBT-LDKKBFSKSA-N 1 3 291.439 1.367 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001493212390 971985846 /nfs/dbraw/zinc/98/58/46/971985846.db2.gz WFCJRVXWEZEFQZ-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001493212390 971985851 /nfs/dbraw/zinc/98/58/51/971985851.db2.gz WFCJRVXWEZEFQZ-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001327226197 954781138 /nfs/dbraw/zinc/78/11/38/954781138.db2.gz XSVMFPBTBPERFA-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001327226197 954781147 /nfs/dbraw/zinc/78/11/47/954781147.db2.gz XSVMFPBTBPERFA-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001327224777 954781882 /nfs/dbraw/zinc/78/18/82/954781882.db2.gz GKFOVQYCPUWCGD-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001327224777 954781895 /nfs/dbraw/zinc/78/18/95/954781895.db2.gz GKFOVQYCPUWCGD-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001327276669 954808587 /nfs/dbraw/zinc/80/85/87/954808587.db2.gz DSCKZQWZHUKLBB-HOTGVXAUSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C(=C)C[NH+](C)C ZINC001297373534 955016966 /nfs/dbraw/zinc/01/69/66/955016966.db2.gz XJFRSIIEWRQURH-UHFFFAOYSA-N 1 3 253.390 1.071 10 30 CDEEHO C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001328928186 955560104 /nfs/dbraw/zinc/56/01/04/955560104.db2.gz ORFZGWFFPXRRMK-UYSNPLJNSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001331345612 956983348 /nfs/dbraw/zinc/98/33/48/956983348.db2.gz GHJFTXLMHKUVFY-GJZGRUSLSA-N 1 3 281.444 1.585 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317346584 957431998 /nfs/dbraw/zinc/43/19/98/957431998.db2.gz XFNZCIQCVZSSOX-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001332423772 957558920 /nfs/dbraw/zinc/55/89/20/957558920.db2.gz QAEDWMNTDOJRLP-ZDUSSCGKSA-N 1 3 276.384 1.355 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C ZINC001332881132 957913582 /nfs/dbraw/zinc/91/35/82/957913582.db2.gz GXUWRQKPECJPSC-UONOGXRCSA-N 1 3 281.444 1.470 10 30 CDEEHO C=CCC[NH2+]C1CC(N(C)C(=O)CN(C)CCC)C1 ZINC001333139859 958100613 /nfs/dbraw/zinc/10/06/13/958100613.db2.gz DRZICFHHZVFQQG-UHFFFAOYSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001319621582 958660078 /nfs/dbraw/zinc/66/00/78/958660078.db2.gz XNBDFTVWXTYJOZ-AWEZNQCLSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001319633452 958664711 /nfs/dbraw/zinc/66/47/11/958664711.db2.gz HTAYOJAOAQOPSM-GJZGRUSLSA-N 1 3 279.428 1.082 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001569305956 1169757805 /nfs/dbraw/zinc/75/78/05/1169757805.db2.gz DPPBBVNTTVKLML-JKSUJKDBSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001319946055 958805771 /nfs/dbraw/zinc/80/57/71/958805771.db2.gz WUVGTMNRIHUCOZ-HUUCEWRRSA-N 1 3 279.428 1.082 10 30 CDEEHO C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001320646819 959295206 /nfs/dbraw/zinc/29/52/06/959295206.db2.gz YSJFTPXCDWMYKG-KBPBESRZSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001355391298 969141595 /nfs/dbraw/zinc/14/15/95/969141595.db2.gz WSRXDHDJRZRWAG-IPYPFGDCSA-N 1 3 265.401 1.080 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001355391298 969141598 /nfs/dbraw/zinc/14/15/98/969141598.db2.gz WSRXDHDJRZRWAG-IPYPFGDCSA-N 1 3 265.401 1.080 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001480612846 970077334 /nfs/dbraw/zinc/07/73/34/970077334.db2.gz VBRPNTDMNOKBMC-KBPBESRZSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C(=C)CC[NH+](C)C ZINC001467728851 970095103 /nfs/dbraw/zinc/09/51/03/970095103.db2.gz SHXJUWRXEVPKLU-UHFFFAOYSA-N 1 3 267.417 1.461 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001498832890 974073112 /nfs/dbraw/zinc/07/31/12/974073112.db2.gz QHRRQEVGSJYHFF-JKSUJKDBSA-N 1 3 293.455 1.920 10 30 CDEEHO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501395317 974578935 /nfs/dbraw/zinc/57/89/35/974578935.db2.gz LYUXWUYRAHAEJB-HUUCEWRRSA-N 1 3 277.412 1.027 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001506651508 975197676 /nfs/dbraw/zinc/19/76/76/975197676.db2.gz USSSXSKJRICPKG-DZGCQCFKSA-N 1 3 281.444 1.585 10 30 CDEEHO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001506904573 975253536 /nfs/dbraw/zinc/25/35/36/975253536.db2.gz GXNDSTQBGDOOKA-AJNGGQMLSA-N 1 3 279.428 1.530 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001674157020 1173919019 /nfs/dbraw/zinc/91/90/19/1173919019.db2.gz YRIFCVOCMFWSAN-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001674157020 1173919027 /nfs/dbraw/zinc/91/90/27/1173919027.db2.gz YRIFCVOCMFWSAN-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001657079853 1171926017 /nfs/dbraw/zinc/92/60/17/1171926017.db2.gz SEWPSIXVJNMJOT-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001657079853 1171926022 /nfs/dbraw/zinc/92/60/22/1171926022.db2.gz SEWPSIXVJNMJOT-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000594440844 342907521 /nfs/dbraw/zinc/90/75/21/342907521.db2.gz INVYCFINDSSNIH-MELADBBJSA-N 1 3 278.400 1.141 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000594440844 342907522 /nfs/dbraw/zinc/90/75/22/342907522.db2.gz INVYCFINDSSNIH-MELADBBJSA-N 1 3 278.400 1.141 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000594443239 342908074 /nfs/dbraw/zinc/90/80/74/342908074.db2.gz BDBHPZAMWSTJLE-QWHCGFSZSA-N 1 3 266.389 1.128 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000594443204 342908095 /nfs/dbraw/zinc/90/80/95/342908095.db2.gz ALSCJMYXQYUFCL-MGPQQGTHSA-N 1 3 280.416 1.279 10 30 CDEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CC(=C)C)CC1 ZINC001660408681 1172210909 /nfs/dbraw/zinc/21/09/09/1172210909.db2.gz LUFHLEZGFFJBHV-UHFFFAOYSA-N 1 3 291.439 1.346 10 30 CDEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CC(=C)C)CC1 ZINC001660408681 1172210914 /nfs/dbraw/zinc/21/09/14/1172210914.db2.gz LUFHLEZGFFJBHV-UHFFFAOYSA-N 1 3 291.439 1.346 10 30 CDEEHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc(C#N)cc1 ZINC000422986836 374366272 /nfs/dbraw/zinc/36/62/72/374366272.db2.gz DKSBAYCVPWXYEL-CJNGLKHVSA-N 1 3 273.380 1.915 10 30 CDEEHO C#CCC[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001664187541 1172821055 /nfs/dbraw/zinc/82/10/55/1172821055.db2.gz YZJBHPSTLBAXDI-INIZCTEOSA-N 1 3 297.418 1.270 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@@H]2CCCN2CC)CCC[NH2+]1 ZINC000662661191 413265984 /nfs/dbraw/zinc/26/59/84/413265984.db2.gz MIUXJPZPNHPCCE-DZGCQCFKSA-N 1 3 265.401 1.285 10 30 CDEEHO C=CC[C@]1(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CCC[NH2+]1 ZINC000662743910 413415713 /nfs/dbraw/zinc/41/57/13/413415713.db2.gz APTMYGDDHVWUEC-SQWLQELKSA-N 1 3 279.428 1.626 10 30 CDEEHO C=C[C@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001665298070 1172975737 /nfs/dbraw/zinc/97/57/37/1172975737.db2.gz JUALXCJTKCSOTC-WLYUNCDWSA-N 1 3 268.401 1.156 10 30 CDEEHO CN(Cc1ccc(C#CC[NH3+])s1)C[C@H]1CCCO1 ZINC000043683886 175091917 /nfs/dbraw/zinc/09/19/17/175091917.db2.gz KZMXXHJKOHMZKU-GFCCVEGCSA-N 1 3 264.394 1.669 10 30 CDEEHO CCN(CCOC)Cc1sccc1C#CC[NH3+] ZINC000043683918 175092350 /nfs/dbraw/zinc/09/23/50/175092350.db2.gz VRMGLPQKECLHBB-UHFFFAOYSA-N 1 3 252.383 1.527 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C)C(=O)CN(C)C(C)C ZINC001667668691 1173309226 /nfs/dbraw/zinc/30/92/26/1173309226.db2.gz FGJPOZQKGJJNMA-UHFFFAOYSA-N 1 3 255.406 1.293 10 30 CDEEHO C=CCC[N@H+](C)CCN(C)C(=O)CN(C)C(C)C ZINC001667668691 1173309234 /nfs/dbraw/zinc/30/92/34/1173309234.db2.gz FGJPOZQKGJJNMA-UHFFFAOYSA-N 1 3 255.406 1.293 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC=C)CC1 ZINC001725131021 1159136381 /nfs/dbraw/zinc/13/63/81/1159136381.db2.gz SIWBCDAZVBRIRG-ZIAGYGMSSA-N 1 3 277.412 1.000 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCC)CC1 ZINC001699474114 1159705174 /nfs/dbraw/zinc/70/51/74/1159705174.db2.gz JDCSUOAXSXPIAA-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCC)CC1 ZINC001699474114 1159705180 /nfs/dbraw/zinc/70/51/80/1159705180.db2.gz JDCSUOAXSXPIAA-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001691504208 1159990445 /nfs/dbraw/zinc/99/04/45/1159990445.db2.gz UFEXPVFXPIMDTK-HDJSIYSDSA-N 1 3 279.428 1.531 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1CCC)C(C)C ZINC001271844151 1160366276 /nfs/dbraw/zinc/36/62/76/1160366276.db2.gz FBRPQUFACGVWDV-HOTGVXAUSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)CN1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001732188122 1182840675 /nfs/dbraw/zinc/84/06/75/1182840675.db2.gz XJJZKIVRWIWZIV-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO CN(Cc1ccccc1C#CC[NH3+])C[C@H]1CCCO1 ZINC000049609674 523358986 /nfs/dbraw/zinc/35/89/86/523358986.db2.gz VQARENQAIGPMRZ-MRXNPFEDSA-N 1 3 258.365 1.608 10 30 CDEEHO C#CC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000939806253 612976089 /nfs/dbraw/zinc/97/60/89/612976089.db2.gz FASOOOUVWKHKIE-PBHICJAKSA-N 1 3 299.418 1.432 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753073 613784290 /nfs/dbraw/zinc/78/42/90/613784290.db2.gz JNUWZHMWTHGHGG-KFWWJZLASA-N 1 3 293.455 1.729 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753073 613784291 /nfs/dbraw/zinc/78/42/91/613784291.db2.gz JNUWZHMWTHGHGG-KFWWJZLASA-N 1 3 293.455 1.729 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)NCc1ccccc1CN(C)C ZINC000899990516 622607813 /nfs/dbraw/zinc/60/78/13/622607813.db2.gz MZPSNXNZKJOSDW-UHFFFAOYSA-N 1 3 289.423 1.872 10 30 CDEEHO N#Cc1cccc(C[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000903957033 626157460 /nfs/dbraw/zinc/15/74/60/626157460.db2.gz PBAVCFZJMXAGSX-ZDUSSCGKSA-N 1 3 265.307 1.893 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000912053093 629757535 /nfs/dbraw/zinc/75/75/35/629757535.db2.gz XNRJZFBVOQZQRQ-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001691184527 1158948617 /nfs/dbraw/zinc/94/86/17/1158948617.db2.gz OTJJWWYZRQDPAI-VGWMRTNUSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H](C)CC)CC1 ZINC001772517093 1158551662 /nfs/dbraw/zinc/55/16/62/1158551662.db2.gz JHCRPTPRNYDPDK-HUUCEWRRSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CCC[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001700544926 1160696958 /nfs/dbraw/zinc/69/69/58/1160696958.db2.gz DAJRQYQGUYBQOA-ZIAGYGMSSA-N 1 3 279.428 1.341 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001567154270 1168599983 /nfs/dbraw/zinc/59/99/83/1168599983.db2.gz CJRXEDXIHMTVKH-INIZCTEOSA-N 1 3 299.418 1.433 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568870920 1169527605 /nfs/dbraw/zinc/52/76/05/1169527605.db2.gz HXZXZKATIWLGMF-PLNGDYQASA-N 1 3 289.423 1.148 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001661227364 1172357337 /nfs/dbraw/zinc/35/73/37/1172357337.db2.gz WFLROUAHZBARSZ-CVEARBPZSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001661227364 1172357332 /nfs/dbraw/zinc/35/73/32/1172357332.db2.gz WFLROUAHZBARSZ-CVEARBPZSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001662871956 1172606224 /nfs/dbraw/zinc/60/62/24/1172606224.db2.gz BLQUCDBAQSWSMS-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001662871956 1172606226 /nfs/dbraw/zinc/60/62/26/1172606226.db2.gz BLQUCDBAQSWSMS-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001666619620 1173162570 /nfs/dbraw/zinc/16/25/70/1173162570.db2.gz HFHNPHKWZJDRPQ-CQSZACIVSA-N 1 3 283.460 1.882 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1 ZINC001691844956 1175635024 /nfs/dbraw/zinc/63/50/24/1175635024.db2.gz PPNOKZYKYXKRBB-HIFRSBDPSA-N 1 3 290.411 1.745 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001698620644 1175875277 /nfs/dbraw/zinc/87/52/77/1175875277.db2.gz HHTSKXLYTNACHY-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001698812243 1175941974 /nfs/dbraw/zinc/94/19/74/1175941974.db2.gz XPBBQTXOYWREIV-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO CC#CC[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001700110795 1176749268 /nfs/dbraw/zinc/74/92/68/1176749268.db2.gz OUYWRJRQFAGRBG-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001700545402 1177008136 /nfs/dbraw/zinc/00/81/36/1177008136.db2.gz IEYNXJZCRGVALS-AWEZNQCLSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001713121669 1178380364 /nfs/dbraw/zinc/38/03/64/1178380364.db2.gz MIWWWUGXOKUSCE-HOCLYGCPSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001714620807 1179272659 /nfs/dbraw/zinc/27/26/59/1179272659.db2.gz VZJQZELXEMQZEH-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001714620807 1179272663 /nfs/dbraw/zinc/27/26/63/1179272663.db2.gz VZJQZELXEMQZEH-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001715362354 1179642597 /nfs/dbraw/zinc/64/25/97/1179642597.db2.gz LLLXGTWNNKCJCG-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCCN1CC ZINC001715916314 1179911463 /nfs/dbraw/zinc/91/14/63/1179911463.db2.gz WHJPQMMUDLLXRK-KIUWMYQTSA-N 1 3 277.412 1.146 10 30 CDEEHO C#CCNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001716465680 1180225380 /nfs/dbraw/zinc/22/53/80/1180225380.db2.gz HEIHFNQRVBCMGJ-GJZGRUSLSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001716482858 1180245020 /nfs/dbraw/zinc/24/50/20/1180245020.db2.gz SGVXSKWGGNCRJN-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001716482858 1180245022 /nfs/dbraw/zinc/24/50/22/1180245022.db2.gz SGVXSKWGGNCRJN-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001717001532 1180498194 /nfs/dbraw/zinc/49/81/94/1180498194.db2.gz DTMJVBKPVLEETN-BZUAXINKSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001717110167 1180532844 /nfs/dbraw/zinc/53/28/44/1180532844.db2.gz BXGFPNAYSKBTMZ-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CC[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001717242008 1180586926 /nfs/dbraw/zinc/58/69/26/1180586926.db2.gz JBFUVLGOCPOHFC-UHFFFAOYSA-N 1 3 277.412 1.076 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001717477007 1180696619 /nfs/dbraw/zinc/69/66/19/1180696619.db2.gz VVZRKSHOZNRSRR-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CC1 ZINC001723522003 1181582805 /nfs/dbraw/zinc/58/28/05/1181582805.db2.gz UGIIFTLHVUBRGU-UHFFFAOYSA-N 1 3 265.401 1.285 10 30 CDEEHO C=CCN(C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001725730934 1182114348 /nfs/dbraw/zinc/11/43/48/1182114348.db2.gz LDJZGNHJJHJFEC-UHFFFAOYSA-N 1 3 281.444 1.683 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001731727609 1182535586 /nfs/dbraw/zinc/53/55/86/1182535586.db2.gz RGJKSQKKRJUGOV-HNNXBMFYSA-N 1 3 293.455 1.759 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001732524425 1182996392 /nfs/dbraw/zinc/99/63/92/1182996392.db2.gz BUEYWTCIJFUHKL-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001733334720 1183400564 /nfs/dbraw/zinc/40/05/64/1183400564.db2.gz XKDZXDDLSZAGKB-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO CC#CC[NH2+][C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001733853744 1183550481 /nfs/dbraw/zinc/55/04/81/1183550481.db2.gz OEHXUROZZQQINO-CVEARBPZSA-N 1 3 291.439 1.178 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001733970683 1183594510 /nfs/dbraw/zinc/59/45/10/1183594510.db2.gz HZOKCZUCDMLZIX-HUUCEWRRSA-N 1 3 293.455 1.757 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001734456971 1183786274 /nfs/dbraw/zinc/78/62/74/1183786274.db2.gz HRKDKUNYAJDQMC-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000876771404 737080699 /nfs/dbraw/zinc/08/06/99/737080699.db2.gz RHUDOEYNNMYUQX-PSEXLTFBSA-N 1 3 285.819 1.588 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000876771404 737080702 /nfs/dbraw/zinc/08/07/02/737080702.db2.gz RHUDOEYNNMYUQX-PSEXLTFBSA-N 1 3 285.819 1.588 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000877425532 737266923 /nfs/dbraw/zinc/26/69/23/737266923.db2.gz CTDQMDDSWOQEIR-AAEUAGOBSA-N 1 3 293.798 1.936 10 30 CDEEHO C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000708855985 737750920 /nfs/dbraw/zinc/75/09/20/737750920.db2.gz WQMUBSCEMZBVSP-UGFHNGPFSA-N 1 3 259.353 1.118 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000876799549 737941019 /nfs/dbraw/zinc/94/10/19/737941019.db2.gz HLFFNUREONJGPI-QCNOEVLYSA-N 1 3 271.792 1.042 10 30 CDEEHO C=CCCCCCN(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878125253 738547332 /nfs/dbraw/zinc/54/73/32/738547332.db2.gz NLUWUMLMHSFGGR-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CC1(O)CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000708152471 738775284 /nfs/dbraw/zinc/77/52/84/738775284.db2.gz PTQRQEZZNXPRKO-CQSZACIVSA-N 1 3 250.386 1.321 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000876835755 739087807 /nfs/dbraw/zinc/08/78/07/739087807.db2.gz BHYNQSBZDVPGRT-CQSZACIVSA-N 1 3 295.814 1.834 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000876733006 736550054 /nfs/dbraw/zinc/55/00/54/736550054.db2.gz LXCFQAQKWCKMDD-GHMZBOCLSA-N 1 3 261.797 1.303 10 30 CDEEHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])CCCCC#N ZINC000720886441 737025222 /nfs/dbraw/zinc/02/52/22/737025222.db2.gz GTFUDZOXCSDHJW-MELADBBJSA-N 1 3 278.400 1.093 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566895956 1168459048 /nfs/dbraw/zinc/45/90/48/1168459048.db2.gz STBSXIOSLHZQAS-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)CN(C)C(C)C ZINC001567266132 1168643279 /nfs/dbraw/zinc/64/32/79/1168643279.db2.gz GSRJDTYEBUAOFI-OAHLLOKOSA-N 1 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C=CC[N@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001494082791 972171796 /nfs/dbraw/zinc/17/17/96/972171796.db2.gz JAILJOPEKZXGAO-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001494082791 972171799 /nfs/dbraw/zinc/17/17/99/972171799.db2.gz JAILJOPEKZXGAO-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001494136699 972184313 /nfs/dbraw/zinc/18/43/13/972184313.db2.gz GJVHUXFYWXNPSM-OAHLLOKOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001494136699 972184316 /nfs/dbraw/zinc/18/43/16/972184316.db2.gz GJVHUXFYWXNPSM-OAHLLOKOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001331476142 957089814 /nfs/dbraw/zinc/08/98/14/957089814.db2.gz TYOVGCGTONKGHA-KGLIPLIRSA-N 1 3 269.433 1.585 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC)CC1 ZINC001317416311 957461198 /nfs/dbraw/zinc/46/11/98/957461198.db2.gz UCPIRWMPVBRFPK-CQSZACIVSA-N 1 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C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001341716582 963520592 /nfs/dbraw/zinc/52/05/92/963520592.db2.gz IVAYWPYTLIDJNT-RDBSUJKOSA-N 1 3 267.417 1.611 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001341716582 963520595 /nfs/dbraw/zinc/52/05/95/963520595.db2.gz IVAYWPYTLIDJNT-RDBSUJKOSA-N 1 3 267.417 1.611 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001496842189 973117423 /nfs/dbraw/zinc/11/74/23/973117423.db2.gz VEETUIRPBQDWLN-UHFFFAOYSA-N 1 3 267.417 1.439 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497414045 973335345 /nfs/dbraw/zinc/33/53/45/973335345.db2.gz FCPZFBGIRDZXHX-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497414045 973335356 /nfs/dbraw/zinc/33/53/56/973335356.db2.gz FCPZFBGIRDZXHX-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001507402246 975454190 /nfs/dbraw/zinc/45/41/90/975454190.db2.gz XCAQITYTPJISSA-CABCVRRESA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001570532674 1170181989 /nfs/dbraw/zinc/18/19/89/1170181989.db2.gz LDAIWCIORWFPGT-OAHLLOKOSA-N 1 3 293.455 1.970 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000594435854 342899240 /nfs/dbraw/zinc/89/92/40/342899240.db2.gz ANELCBZIBNZQJI-HUUCEWRRSA-N 1 3 292.427 1.484 10 30 CDEEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](N)CCCCC#N ZINC000594440968 342907440 /nfs/dbraw/zinc/90/74/40/342907440.db2.gz KFKANCJTINUMHH-UONOGXRCSA-N 1 3 282.432 1.490 10 30 CDEEHO C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001662351439 1172535327 /nfs/dbraw/zinc/53/53/27/1172535327.db2.gz VYGYVAKKMOZIPP-CABCVRRESA-N 1 3 279.428 1.367 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001673397400 1172577594 /nfs/dbraw/zinc/57/75/94/1172577594.db2.gz QQCWCFBHNMABCQ-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001673397400 1172577600 /nfs/dbraw/zinc/57/76/00/1172577600.db2.gz QQCWCFBHNMABCQ-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001663287931 1172666936 /nfs/dbraw/zinc/66/69/36/1172666936.db2.gz DEPDJFBDXSKNIQ-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001664036696 1172803757 /nfs/dbraw/zinc/80/37/57/1172803757.db2.gz QTVRXGHYJDLMHH-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001664036696 1172803758 /nfs/dbraw/zinc/80/37/58/1172803758.db2.gz QTVRXGHYJDLMHH-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001665425128 1172993984 /nfs/dbraw/zinc/99/39/84/1172993984.db2.gz JKGAXHNATDZKMH-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO CN[C@](C)(C#N)CCC[NH+]1CCC(N(C)C)CC1 ZINC000045311099 175356660 /nfs/dbraw/zinc/35/66/60/175356660.db2.gz PMIKKBIBKMHUDU-AWEZNQCLSA-N 1 3 252.406 1.294 10 30 CDEEHO CN(Cc1sccc1C#CCN)C[C@H]1CC[N@H+](C)C1 ZINC000071190471 176066074 /nfs/dbraw/zinc/06/60/74/176066074.db2.gz HIIHPZSOVULISQ-ZDUSSCGKSA-N 1 3 277.437 1.442 10 30 CDEEHO CN(Cc1sccc1C#CCN)C[C@H]1CC[N@@H+](C)C1 ZINC000071190471 176066076 /nfs/dbraw/zinc/06/60/76/176066076.db2.gz HIIHPZSOVULISQ-ZDUSSCGKSA-N 1 3 277.437 1.442 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652147438 423887454 /nfs/dbraw/zinc/88/74/54/423887454.db2.gz UJQMUFPGLLACKP-UHFFFAOYSA-N 1 3 294.443 1.455 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@H](C)N2CCC(C)CC2)CCC[NH2+]1 ZINC000662701752 424341703 /nfs/dbraw/zinc/34/17/03/424341703.db2.gz UXBJEWMAQOVGOJ-RDJZCZTQSA-N 1 3 293.455 1.921 10 30 CDEEHO CC(C)N(CCNC(=[NH2+])N1CCO[C@H](C)C1)C(C)C ZINC000262468636 330015379 /nfs/dbraw/zinc/01/53/79/330015379.db2.gz OGQDHDZCZBLCHW-CYBMUJFWSA-N 1 3 270.421 1.141 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001700184920 1176788086 /nfs/dbraw/zinc/78/80/86/1176788086.db2.gz QDMXGUGHLHLSRL-OAHLLOKOSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001700184920 1176788092 /nfs/dbraw/zinc/78/80/92/1176788092.db2.gz QDMXGUGHLHLSRL-OAHLLOKOSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483016374 1160666040 /nfs/dbraw/zinc/66/60/40/1160666040.db2.gz COOXAOKSHLWNRV-JFDDCEBESA-N 1 3 289.423 1.289 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001483016374 1160666044 /nfs/dbraw/zinc/66/60/44/1160666044.db2.gz COOXAOKSHLWNRV-JFDDCEBESA-N 1 3 289.423 1.289 10 30 CDEEHO C=CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCCN1CC ZINC001731815834 1182603898 /nfs/dbraw/zinc/60/38/98/1182603898.db2.gz DVQUEKZYDWPFJU-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCCCN1CC ZINC001731815834 1182603900 /nfs/dbraw/zinc/60/39/00/1182603900.db2.gz DVQUEKZYDWPFJU-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO CCCN1CCN(Cc2ccc(F)c(C#CC[NH3+])c2)CC1 ZINC000049608706 519858984 /nfs/dbraw/zinc/85/89/84/519858984.db2.gz AZHIQOZCGWYBKQ-UHFFFAOYSA-N 1 3 289.398 1.664 10 30 CDEEHO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(F)cc1C#CCN ZINC000061652299 521841430 /nfs/dbraw/zinc/84/14/30/521841430.db2.gz GMALRIOAINDEAA-KRWDZBQOSA-N 1 3 289.398 1.662 10 30 CDEEHO COCCN(CCOC)Cc1cccc(C#CC[NH3+])c1 ZINC000049609866 523720186 /nfs/dbraw/zinc/72/01/86/523720186.db2.gz PQUBKOOYOQRSHM-UHFFFAOYSA-N 1 3 276.380 1.092 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000334892426 526430948 /nfs/dbraw/zinc/43/09/48/526430948.db2.gz NGPDCXJSKPCSPF-UKRRQHHQSA-N 1 3 292.427 1.030 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001688915542 1175067264 /nfs/dbraw/zinc/06/72/64/1175067264.db2.gz ZJJRTSXUZOGIEA-BETUJISGSA-N 1 3 276.384 1.321 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000877266314 618418557 /nfs/dbraw/zinc/41/85/57/618418557.db2.gz QKGVQUGBWSUDEZ-SRVKXCTJSA-N 1 3 271.792 1.057 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)NCCN(C)Cc1ccccc1 ZINC000900338476 622886921 /nfs/dbraw/zinc/88/69/21/622886921.db2.gz WNRKGNQPEGLELQ-UHFFFAOYSA-N 1 3 289.423 1.743 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001699933690 1158848135 /nfs/dbraw/zinc/84/81/35/1158848135.db2.gz JABRUKXJIGCTHP-LSDHHAIUSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001725111867 1159106637 /nfs/dbraw/zinc/10/66/37/1159106637.db2.gz RYAMYOKQMOQJPE-CABCVRRESA-N 1 3 279.428 1.580 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001725111867 1159106640 /nfs/dbraw/zinc/10/66/40/1159106640.db2.gz RYAMYOKQMOQJPE-CABCVRRESA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001567708919 1168930405 /nfs/dbraw/zinc/93/04/05/1168930405.db2.gz CWHXBTWTBWLMMW-CVEARBPZSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001567708919 1168930410 /nfs/dbraw/zinc/93/04/10/1168930410.db2.gz CWHXBTWTBWLMMW-CVEARBPZSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001568532683 1169351983 /nfs/dbraw/zinc/35/19/83/1169351983.db2.gz HVASTEUTGCHBSZ-LSDHHAIUSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001569363221 1169804936 /nfs/dbraw/zinc/80/49/36/1169804936.db2.gz OVNLDMNTEBRDFF-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001570532674 1170181986 /nfs/dbraw/zinc/18/19/86/1170181986.db2.gz LDAIWCIORWFPGT-OAHLLOKOSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CC[NH2+][C@H](CCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001571351495 1170379228 /nfs/dbraw/zinc/37/92/28/1170379228.db2.gz WYKBGOZXIKCTAG-HUUCEWRRSA-N 1 3 279.428 1.082 10 30 CDEEHO C=CCN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001663731521 1172754147 /nfs/dbraw/zinc/75/41/47/1172754147.db2.gz ZQKXNPCBBNFGPN-CQSZACIVSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001663731521 1172754151 /nfs/dbraw/zinc/75/41/51/1172754151.db2.gz ZQKXNPCBBNFGPN-CQSZACIVSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001663748583 1172756342 /nfs/dbraw/zinc/75/63/42/1172756342.db2.gz AFXKBTYKJLAHRL-KBPBESRZSA-N 1 3 279.428 1.483 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001663748583 1172756351 /nfs/dbraw/zinc/75/63/51/1172756351.db2.gz AFXKBTYKJLAHRL-KBPBESRZSA-N 1 3 279.428 1.483 10 30 CDEEHO C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001698692551 1175896727 /nfs/dbraw/zinc/89/67/27/1175896727.db2.gz ZTNVJQYSNINZNB-INIZCTEOSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001699004545 1176035951 /nfs/dbraw/zinc/03/59/51/1176035951.db2.gz VJYONVFCJTXWPM-UHFFFAOYSA-N 1 3 277.412 1.028 10 30 CDEEHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001699838995 1176651762 /nfs/dbraw/zinc/65/17/62/1176651762.db2.gz WVBOUCALPUNYSF-INIZCTEOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001713220920 1178439390 /nfs/dbraw/zinc/43/93/90/1178439390.db2.gz VZELUMJLQWIHGO-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001713220920 1178439393 /nfs/dbraw/zinc/43/93/93/1178439393.db2.gz VZELUMJLQWIHGO-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCN1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713541870 1178635516 /nfs/dbraw/zinc/63/55/16/1178635516.db2.gz OJVGFLCJBONDPC-HZPDHXFCSA-N 1 3 291.439 1.178 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001713771270 1178745938 /nfs/dbraw/zinc/74/59/38/1178745938.db2.gz GWEQDQCJWCRGIU-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001713771270 1178745945 /nfs/dbraw/zinc/74/59/45/1178745945.db2.gz GWEQDQCJWCRGIU-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCCC=C)CC1 ZINC001714309777 1179078539 /nfs/dbraw/zinc/07/85/39/1179078539.db2.gz RDTWZGIQNIDVSJ-HNNXBMFYSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CCCC[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001714546766 1179201761 /nfs/dbraw/zinc/20/17/61/1179201761.db2.gz PTWMVFNLYVAWGT-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCCC[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001714546766 1179201770 /nfs/dbraw/zinc/20/17/70/1179201770.db2.gz PTWMVFNLYVAWGT-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[NH+]1CCC(CCNC(=O)CN(C)C(C)C)CC1 ZINC001715204968 1179575343 /nfs/dbraw/zinc/57/53/43/1179575343.db2.gz WWCUUXGUXTUPKP-UHFFFAOYSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001716179690 1180085316 /nfs/dbraw/zinc/08/53/16/1180085316.db2.gz ZBSZXXKEIBNXJJ-CVEARBPZSA-N 1 3 293.455 1.757 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001716368433 1180170522 /nfs/dbraw/zinc/17/05/22/1180170522.db2.gz RZAQTBARQCAQQH-XEVLESSRSA-N 1 3 277.412 1.002 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001716513703 1180263138 /nfs/dbraw/zinc/26/31/38/1180263138.db2.gz GMTJQRLGMQLMED-GDBMZVCRSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001717472311 1180693223 /nfs/dbraw/zinc/69/32/23/1180693223.db2.gz KZRSCXRGDOIKSI-HUUCEWRRSA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001717472311 1180693229 /nfs/dbraw/zinc/69/32/29/1180693229.db2.gz KZRSCXRGDOIKSI-HUUCEWRRSA-N 1 3 279.428 1.319 10 30 CDEEHO CC#CCN1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001717605244 1180756233 /nfs/dbraw/zinc/75/62/33/1180756233.db2.gz HEMAMMMVCFAHHZ-PHZGNYQRSA-N 1 3 291.439 1.036 10 30 CDEEHO C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001724249835 1181658633 /nfs/dbraw/zinc/65/86/33/1181658633.db2.gz JUSKVEORJXIPOW-MRXNPFEDSA-N 1 3 290.411 1.747 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001731508854 1182426503 /nfs/dbraw/zinc/42/65/03/1182426503.db2.gz QRSAZPCPMMFHNC-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001731508854 1182426515 /nfs/dbraw/zinc/42/65/15/1182426515.db2.gz QRSAZPCPMMFHNC-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CCN1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001731862090 1182633667 /nfs/dbraw/zinc/63/36/67/1182633667.db2.gz YMPSRZHEQVDWBL-INIZCTEOSA-N 1 3 291.439 1.324 10 30 CDEEHO C=CC[N@@H+](CCNC(=O)[C@H]1CCCCN1CC)C1CC1 ZINC001731883116 1182649610 /nfs/dbraw/zinc/64/96/10/1182649610.db2.gz AMFXZRMECGOGIV-OAHLLOKOSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[N@H+](CCNC(=O)[C@H]1CCCCN1CC)C1CC1 ZINC001731883116 1182649615 /nfs/dbraw/zinc/64/96/15/1182649615.db2.gz AMFXZRMECGOGIV-OAHLLOKOSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001732060642 1182745545 /nfs/dbraw/zinc/74/55/45/1182745545.db2.gz SHBJEKKJXGSHQY-AWEZNQCLSA-N 1 3 290.411 1.665 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001732060642 1182745551 /nfs/dbraw/zinc/74/55/51/1182745551.db2.gz SHBJEKKJXGSHQY-AWEZNQCLSA-N 1 3 290.411 1.665 10 30 CDEEHO C#CCCN1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001732139665 1182796988 /nfs/dbraw/zinc/79/69/88/1182796988.db2.gz JSZVSQOSUATLDY-UHFFFAOYSA-N 1 3 291.439 1.324 10 30 CDEEHO C=C(C)CC[NH2+]CCN(CC)C(=O)Cc1c[nH]cn1 ZINC001732798960 1183129105 /nfs/dbraw/zinc/12/91/05/1183129105.db2.gz VSXLBYOEHJZXCE-UHFFFAOYSA-N 1 3 264.373 1.357 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001733082576 1183280750 /nfs/dbraw/zinc/28/07/50/1183280750.db2.gz FEYFQJJTFJGRRT-JKSUJKDBSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001733675620 1183494186 /nfs/dbraw/zinc/49/41/86/1183494186.db2.gz GVYPHFWVZYGHHO-JKSUJKDBSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000876729217 739423430 /nfs/dbraw/zinc/42/34/30/739423430.db2.gz HTNAXFXTPHUWHW-SRVKXCTJSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000876729217 739423437 /nfs/dbraw/zinc/42/34/37/739423437.db2.gz HTNAXFXTPHUWHW-SRVKXCTJSA-N 1 3 271.792 1.199 10 30 CDEEHO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@@H](N)CCCC#N ZINC000867988095 739821175 /nfs/dbraw/zinc/82/11/75/739821175.db2.gz UDGACUQJJIDBEG-JSGCOSHPSA-N 1 3 286.379 1.833 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000876783310 741279991 /nfs/dbraw/zinc/27/99/91/741279991.db2.gz YZMFWHYFEIDHBB-UWJYBYFXSA-N 1 3 271.792 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000876783310 741279997 /nfs/dbraw/zinc/27/99/97/741279997.db2.gz YZMFWHYFEIDHBB-UWJYBYFXSA-N 1 3 271.792 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000876729338 739964571 /nfs/dbraw/zinc/96/45/71/739964571.db2.gz KMTCAKUYQWNCNF-STQMWFEESA-N 1 3 285.819 1.543 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000876935911 740318375 /nfs/dbraw/zinc/31/83/75/740318375.db2.gz SQLNDFYKRIBSCO-MNOVXSKESA-N 1 3 271.792 1.247 10 30 CDEEHO CCc1nc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cs1 ZINC000304741386 742508857 /nfs/dbraw/zinc/50/88/57/742508857.db2.gz CBSPOCBCJSZZLX-GFCCVEGCSA-N 1 3 295.456 1.594 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000876523670 742586803 /nfs/dbraw/zinc/58/68/03/742586803.db2.gz AYWMHUQNEWUKJN-NEPJUHHUSA-N 1 3 267.760 1.273 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000876733008 742817875 /nfs/dbraw/zinc/81/78/75/742817875.db2.gz LXCFQAQKWCKMDD-QWRGUYRKSA-N 1 3 261.797 1.303 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001569118788 1167553785 /nfs/dbraw/zinc/55/37/85/1167553785.db2.gz GWRVZJJDOHVRMH-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001569118788 1167553791 /nfs/dbraw/zinc/55/37/91/1167553791.db2.gz GWRVZJJDOHVRMH-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567201753 1168616644 /nfs/dbraw/zinc/61/66/44/1168616644.db2.gz HNOXPXCDVGVPMV-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001567201753 1168616647 /nfs/dbraw/zinc/61/66/47/1168616647.db2.gz HNOXPXCDVGVPMV-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001266970366 896470235 /nfs/dbraw/zinc/47/02/35/896470235.db2.gz CPIHZCBAEUGNLN-CZUORRHYSA-N 1 3 299.434 1.869 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267697245 899314343 /nfs/dbraw/zinc/31/43/43/899314343.db2.gz HOMHKBOQNZZVKT-OAHLLOKOSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CCC[NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001267839245 899849511 /nfs/dbraw/zinc/84/95/11/899849511.db2.gz LDQILTOEFIPWCT-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001481340130 900452743 /nfs/dbraw/zinc/45/27/43/900452743.db2.gz OPTPQBZEUHRKCQ-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001481496787 900922707 /nfs/dbraw/zinc/92/27/07/900922707.db2.gz FVBBTKKCLVJMLO-HUUCEWRRSA-N 1 3 279.428 1.295 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001481496787 900922719 /nfs/dbraw/zinc/92/27/19/900922719.db2.gz FVBBTKKCLVJMLO-HUUCEWRRSA-N 1 3 279.428 1.295 10 30 CDEEHO C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001268900619 903226441 /nfs/dbraw/zinc/22/64/41/903226441.db2.gz LGSANECVDYMKEZ-GDBMZVCRSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001268979089 903298123 /nfs/dbraw/zinc/29/81/23/903298123.db2.gz VSLHRHSEWJNVBM-KBPBESRZSA-N 1 3 265.401 1.189 10 30 CDEEHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001268979089 903298139 /nfs/dbraw/zinc/29/81/39/903298139.db2.gz VSLHRHSEWJNVBM-KBPBESRZSA-N 1 3 265.401 1.189 10 30 CDEEHO C=CCC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001269770828 904103407 /nfs/dbraw/zinc/10/34/07/904103407.db2.gz TYKNDBSCZWHASL-CQSZACIVSA-N 1 3 290.411 1.747 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001483167265 909905759 /nfs/dbraw/zinc/90/57/59/909905759.db2.gz XSRKHKVGTCWXKZ-ZIAGYGMSSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001483352590 910958212 /nfs/dbraw/zinc/95/82/12/910958212.db2.gz NUDDZOFHMVCHLJ-QWHCGFSZSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001483352590 910958228 /nfs/dbraw/zinc/95/82/28/910958228.db2.gz NUDDZOFHMVCHLJ-QWHCGFSZSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001483972256 915246997 /nfs/dbraw/zinc/24/69/97/915246997.db2.gz IBMBNPWJEZDFJK-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[NH+]1CCC(C)(NC(=O)CN(C)C2CCC2)CC1 ZINC001483968380 915253804 /nfs/dbraw/zinc/25/38/04/915253804.db2.gz WHFDFYVJIXFYIR-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001485195115 916657161 /nfs/dbraw/zinc/65/71/61/916657161.db2.gz RZVNPOPYRSFFRK-KBPBESRZSA-N 1 3 281.444 1.470 10 30 CDEEHO C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001485747351 917253317 /nfs/dbraw/zinc/25/33/17/917253317.db2.gz YOAILVWGZHPSSH-ZIAGYGMSSA-N 1 3 267.417 1.080 10 30 CDEEHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001568330819 1169251466 /nfs/dbraw/zinc/25/14/66/1169251466.db2.gz FTUPEQYDRUVKQY-CQSZACIVSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001490983722 936837595 /nfs/dbraw/zinc/83/75/95/936837595.db2.gz PGAYAAYIXOIAKM-CVEARBPZSA-N 1 3 291.439 1.273 10 30 CDEEHO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001490983722 936837596 /nfs/dbraw/zinc/83/75/96/936837596.db2.gz PGAYAAYIXOIAKM-CVEARBPZSA-N 1 3 291.439 1.273 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001491472344 936921500 /nfs/dbraw/zinc/92/15/00/936921500.db2.gz BRJQUINTLOCDCK-KBPBESRZSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H](CC)N(C)C ZINC001502390414 974731802 /nfs/dbraw/zinc/73/18/02/974731802.db2.gz CTXLQNFYXNRHDP-CQSZACIVSA-N 1 3 269.433 1.683 10 30 CDEEHO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H](CC)N(C)C ZINC001502390414 974731804 /nfs/dbraw/zinc/73/18/04/974731804.db2.gz CTXLQNFYXNRHDP-CQSZACIVSA-N 1 3 269.433 1.683 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001568501719 1169336860 /nfs/dbraw/zinc/33/68/60/1169336860.db2.gz RKQDSCXWKKEIQN-UHFFFAOYSA-N 1 3 293.455 1.685 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001281682109 942608701 /nfs/dbraw/zinc/60/87/01/942608701.db2.gz HGMUHGXALVDWRA-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001281682109 942608707 /nfs/dbraw/zinc/60/87/07/942608707.db2.gz HGMUHGXALVDWRA-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CC[NH2+]C1CCC(N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001282274008 942685355 /nfs/dbraw/zinc/68/53/55/942685355.db2.gz BUFHCWWDWWKEOJ-NRXISQOPSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCN(C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001284544631 943206544 /nfs/dbraw/zinc/20/65/44/943206544.db2.gz OBJDIKSPKGJLFI-UHFFFAOYSA-N 1 3 255.406 1.293 10 30 CDEEHO C#CCN(CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001265164641 944257820 /nfs/dbraw/zinc/25/78/20/944257820.db2.gz PFYMRPHWTIQWHJ-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN(CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001265164641 944257828 /nfs/dbraw/zinc/25/78/28/944257828.db2.gz PFYMRPHWTIQWHJ-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@@H](F)CC)CC1 ZINC001265869900 944549604 /nfs/dbraw/zinc/54/96/04/944549604.db2.gz FBCGBAUCADEWTH-HIFRSBDPSA-N 1 3 297.418 1.174 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568899249 1169538668 /nfs/dbraw/zinc/53/86/68/1169538668.db2.gz VOSNGCBPKYHUQV-VOTSOKGWSA-N 1 3 277.412 1.146 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C ZINC001279001822 948550863 /nfs/dbraw/zinc/55/08/63/948550863.db2.gz FLQMPSHHTPJPNM-HUUCEWRRSA-N 1 3 295.471 1.716 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H](C)CC)CC1 ZINC001569099271 1169644033 /nfs/dbraw/zinc/64/40/33/1169644033.db2.gz XHLLTWAPLSZJBE-GJZGRUSLSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001480834473 971898665 /nfs/dbraw/zinc/89/86/65/971898665.db2.gz PIESKLGGJRXAMG-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001480834473 971898670 /nfs/dbraw/zinc/89/86/70/971898670.db2.gz PIESKLGGJRXAMG-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001324973680 953661552 /nfs/dbraw/zinc/66/15/52/953661552.db2.gz ZCJGWCPDKPNVJW-ZBFHGGJFSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001324973680 953661565 /nfs/dbraw/zinc/66/15/65/953661565.db2.gz ZCJGWCPDKPNVJW-ZBFHGGJFSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001493206884 971984277 /nfs/dbraw/zinc/98/42/77/971984277.db2.gz KKJNVVLRVSXRMM-KGLIPLIRSA-N 1 3 285.407 1.290 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001493206884 971984283 /nfs/dbraw/zinc/98/42/83/971984283.db2.gz KKJNVVLRVSXRMM-KGLIPLIRSA-N 1 3 285.407 1.290 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001326555327 954430398 /nfs/dbraw/zinc/43/03/98/954430398.db2.gz QPFKWJAWYYIFIB-HDJSIYSDSA-N 1 3 288.395 1.158 10 30 CDEEHO C=CC[N@@H+](CCNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001493414177 972047052 /nfs/dbraw/zinc/04/70/52/972047052.db2.gz NWEFHTCZLBSPOU-UHFFFAOYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@H+](CCNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001493414177 972047057 /nfs/dbraw/zinc/04/70/57/972047057.db2.gz NWEFHTCZLBSPOU-UHFFFAOYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001494204565 972199050 /nfs/dbraw/zinc/19/90/50/972199050.db2.gz DJVFMYXLSODFSM-UHFFFAOYSA-N 1 3 290.411 1.699 10 30 CDEEHO C=CCC[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001494204565 972199054 /nfs/dbraw/zinc/19/90/54/972199054.db2.gz DJVFMYXLSODFSM-UHFFFAOYSA-N 1 3 290.411 1.699 10 30 CDEEHO CC#CCN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001331529628 957122682 /nfs/dbraw/zinc/12/26/82/957122682.db2.gz LTCBLAPSUZXXGH-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001331529628 957122688 /nfs/dbraw/zinc/12/26/88/957122688.db2.gz LTCBLAPSUZXXGH-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]C(C)C)C2CC2)CC1 ZINC001317036037 957222113 /nfs/dbraw/zinc/22/21/13/957222113.db2.gz ZYXPZRWEBQHOPV-MRXNPFEDSA-N 1 3 291.439 1.224 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C ZINC001332881130 957915013 /nfs/dbraw/zinc/91/50/13/957915013.db2.gz GXUWRQKPECJPSC-KBPBESRZSA-N 1 3 281.444 1.470 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001323064239 960427451 /nfs/dbraw/zinc/42/74/51/960427451.db2.gz 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C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001570377586 1170146482 /nfs/dbraw/zinc/14/64/82/1170146482.db2.gz ARLRSFUTHRFQLK-CYBMUJFWSA-N 1 3 265.401 1.237 10 30 CDEEHO CC#CC[NH2+]CCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001571325634 1170366808 /nfs/dbraw/zinc/36/68/08/1170366808.db2.gz FMANPRHIHAEGGH-AWEZNQCLSA-N 1 3 267.417 1.224 10 30 CDEEHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)CCCCC#N ZINC000594428015 342897404 /nfs/dbraw/zinc/89/74/04/342897404.db2.gz YWXRSJCDAUIYOZ-NWDGAFQWSA-N 1 3 254.378 1.031 10 30 CDEEHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594438188 342906140 /nfs/dbraw/zinc/90/61/40/342906140.db2.gz RECYTKGXHSZRRN-RDBSUJKOSA-N 1 3 280.416 1.196 10 30 CDEEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594438188 342906141 /nfs/dbraw/zinc/90/61/41/342906141.db2.gz RECYTKGXHSZRRN-RDBSUJKOSA-N 1 3 280.416 1.196 10 30 CDEEHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594424406 342903870 /nfs/dbraw/zinc/90/38/70/342903870.db2.gz 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N#C[C@@H]1CC[C@@H]([NH2+]C2CCC([N+](=O)[O-])CC2)C([N+](=O)[O-])C1 ZINC000005282741 170082435 /nfs/dbraw/zinc/08/24/35/170082435.db2.gz CMWRBBPXNMTAPR-IIBVRRFFSA-N 1 3 296.327 1.501 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001665787791 1173060257 /nfs/dbraw/zinc/06/02/57/1173060257.db2.gz JSZJYRSUZIZXEE-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO CN1CC[C@H](C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000071189130 176064280 /nfs/dbraw/zinc/06/42/80/176064280.db2.gz SFFSEPVDDJCZIN-HOCLYGCPSA-N 1 3 273.380 1.475 10 30 CDEEHO CN1CC[C@H](C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000071189130 176064281 /nfs/dbraw/zinc/06/42/81/176064281.db2.gz SFFSEPVDDJCZIN-HOCLYGCPSA-N 1 3 273.380 1.475 10 30 CDEEHO CN(Cc1ccc(F)cc1C#CCN)C[C@H]1CC[N@H+](C)C1 ZINC000071190481 176066339 /nfs/dbraw/zinc/06/63/39/176066339.db2.gz XXQRROUCCSZJDP-AWEZNQCLSA-N 1 3 289.398 1.519 10 30 CDEEHO CN(Cc1ccc(F)cc1C#CCN)C[C@H]1CC[N@@H+](C)C1 ZINC000071190481 176066340 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C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC)CC1 ZINC001485751529 1161284599 /nfs/dbraw/zinc/28/45/99/1161284599.db2.gz OAXGTOHQWJAIMC-AWEZNQCLSA-N 1 3 279.428 1.226 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001715682283 1179763074 /nfs/dbraw/zinc/76/30/74/1179763074.db2.gz JUPCUYJQYYUHNO-YPMHNXCESA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001688888771 1175052820 /nfs/dbraw/zinc/05/28/20/1175052820.db2.gz NRTBIUPFOJLNHU-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001688888771 1175052829 /nfs/dbraw/zinc/05/28/29/1175052829.db2.gz NRTBIUPFOJLNHU-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000911511560 629311636 /nfs/dbraw/zinc/31/16/36/629311636.db2.gz JETJYIJVQCCIKB-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000876984993 630588988 /nfs/dbraw/zinc/58/89/88/630588988.db2.gz RPJZGJWSMTXZAC-NSHDSACASA-N 1 3 275.824 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC(C)(C)C[N@H+](C)CCC ZINC000876984993 630588990 /nfs/dbraw/zinc/58/89/90/630588990.db2.gz RPJZGJWSMTXZAC-NSHDSACASA-N 1 3 275.824 1.693 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741279 1158796690 /nfs/dbraw/zinc/79/66/90/1158796690.db2.gz PJXKAGVMEUVPIL-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266741279 1158796697 /nfs/dbraw/zinc/79/66/97/1158796697.db2.gz PJXKAGVMEUVPIL-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001691184526 1158949120 /nfs/dbraw/zinc/94/91/20/1158949120.db2.gz OTJJWWYZRQDPAI-LDKKBFSKSA-N 1 3 291.439 1.367 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001731651605 1159321303 /nfs/dbraw/zinc/32/13/03/1159321303.db2.gz GCSNMDCRAJQNFP-KGLIPLIRSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317851607 1164778112 /nfs/dbraw/zinc/77/81/12/1164778112.db2.gz BMFVLKLWUBMIJG-OAHLLOKOSA-N 1 3 295.471 1.931 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317851607 1164778115 /nfs/dbraw/zinc/77/81/15/1164778115.db2.gz BMFVLKLWUBMIJG-OAHLLOKOSA-N 1 3 295.471 1.931 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001566528032 1168321338 /nfs/dbraw/zinc/32/13/38/1168321338.db2.gz HAVCZYPKJXOUCW-GDBMZVCRSA-N 1 3 291.439 1.463 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567141460 1168594015 /nfs/dbraw/zinc/59/40/15/1168594015.db2.gz BQCRYIOHXJAALH-ZDUSSCGKSA-N 1 3 276.384 1.357 10 30 CDEEHO C#CCC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)N(C)C ZINC001567965189 1169099287 /nfs/dbraw/zinc/09/92/87/1169099287.db2.gz GDRODTKGFIPRDN-KGLIPLIRSA-N 1 3 267.417 1.080 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001569562074 1169925200 /nfs/dbraw/zinc/92/52/00/1169925200.db2.gz DDLNERPDWWZXNY-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001569696236 1169968209 /nfs/dbraw/zinc/96/82/09/1169968209.db2.gz YVZOGGJXHQRRJT-INIZCTEOSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CCC1 ZINC001570106393 1170081587 /nfs/dbraw/zinc/08/15/87/1170081587.db2.gz AQCOTKYVAUTYBE-OAHLLOKOSA-N 1 3 291.439 1.513 10 30 CDEEHO CC#CCN1C[C@@H]2[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001570958775 1170322583 /nfs/dbraw/zinc/32/25/83/1170322583.db2.gz QQQOALYSYMYEFV-PHZGNYQRSA-N 1 3 291.439 1.036 10 30 CDEEHO CC#CCN1C[C@@H]2[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001570958775 1170322587 /nfs/dbraw/zinc/32/25/87/1170322587.db2.gz QQQOALYSYMYEFV-PHZGNYQRSA-N 1 3 291.439 1.036 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001656176112 1171783983 /nfs/dbraw/zinc/78/39/83/1171783983.db2.gz OTJJWWYZRQDPAI-GEEKYZPCSA-N 1 3 291.439 1.367 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C1 ZINC001661678737 1172425994 /nfs/dbraw/zinc/42/59/94/1172425994.db2.gz UHDJFMLFNXBSMC-BETUJISGSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001673397399 1172564439 /nfs/dbraw/zinc/56/44/39/1172564439.db2.gz QQCWCFBHNMABCQ-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001673397399 1172564446 /nfs/dbraw/zinc/56/44/46/1172564446.db2.gz QQCWCFBHNMABCQ-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001667198276 1173244586 /nfs/dbraw/zinc/24/45/86/1173244586.db2.gz OSGFNOWLXJPJJJ-LSDHHAIUSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001674674501 1173985023 /nfs/dbraw/zinc/98/50/23/1173985023.db2.gz SXLCPFDYBAGZDD-KGLIPLIRSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1CC ZINC001692217888 1175704246 /nfs/dbraw/zinc/70/42/46/1175704246.db2.gz RAWUUBQXHJIPCL-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1CC ZINC001692217888 1175704249 /nfs/dbraw/zinc/70/42/49/1175704249.db2.gz RAWUUBQXHJIPCL-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001698861596 1175967185 /nfs/dbraw/zinc/96/71/85/1175967185.db2.gz QQRCOYXHUGQKHF-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001698963709 1175998252 /nfs/dbraw/zinc/99/82/52/1175998252.db2.gz VPDACCWGEVTVNJ-HNNXBMFYSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCN1CCC2(CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001699694792 1176568999 /nfs/dbraw/zinc/56/89/99/1176568999.db2.gz NLJMAAXMFIYQII-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001699743903 1176600894 /nfs/dbraw/zinc/60/08/94/1176600894.db2.gz RNYVIEWLLRRNGV-CABCVRRESA-N 1 3 279.428 1.319 10 30 CDEEHO C=CCC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001700544923 1177008734 /nfs/dbraw/zinc/00/87/34/1177008734.db2.gz DAJRQYQGUYBQOA-KGLIPLIRSA-N 1 3 279.428 1.341 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001707446307 1178052097 /nfs/dbraw/zinc/05/20/97/1178052097.db2.gz PAFVGGZBSWZQLL-DZGCQCFKSA-N 1 3 290.411 1.888 10 30 CDEEHO C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001713131911 1178387796 /nfs/dbraw/zinc/38/77/96/1178387796.db2.gz OLQMSNDHRLVSNJ-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001713131911 1178387803 /nfs/dbraw/zinc/38/78/03/1178387803.db2.gz OLQMSNDHRLVSNJ-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001713219241 1178439071 /nfs/dbraw/zinc/43/90/71/1178439071.db2.gz LXVXLRJMUPACKY-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001713219241 1178439077 /nfs/dbraw/zinc/43/90/77/1178439077.db2.gz LXVXLRJMUPACKY-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001714107959 1178975615 /nfs/dbraw/zinc/97/56/15/1178975615.db2.gz WJEOVOZUYGHLJC-CABCVRRESA-N 1 3 279.428 1.367 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714446673 1179143418 /nfs/dbraw/zinc/14/34/18/1179143418.db2.gz VWXAJOWZIIWBJC-JKSUJKDBSA-N 1 3 293.455 1.519 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001714563366 1179220042 /nfs/dbraw/zinc/22/00/42/1179220042.db2.gz GDFMFFQIOPXMBC-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001714563366 1179220050 /nfs/dbraw/zinc/22/00/50/1179220050.db2.gz GDFMFFQIOPXMBC-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001715682280 1179763299 /nfs/dbraw/zinc/76/32/99/1179763299.db2.gz JUPCUYJQYYUHNO-AAEUAGOBSA-N 1 3 287.835 1.565 10 30 CDEEHO C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCCN1CC ZINC001715775897 1179799990 /nfs/dbraw/zinc/79/99/90/1179799990.db2.gz AIOGBYLHRINUFZ-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001716681386 1180366780 /nfs/dbraw/zinc/36/67/80/1180366780.db2.gz NREDRSDZFZCDLG-CQSZACIVSA-N 1 3 279.428 1.674 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001716983959 1180492145 /nfs/dbraw/zinc/49/21/45/1180492145.db2.gz AGPSDTVBVLYLMH-CABCVRRESA-N 1 3 291.439 1.178 10 30 CDEEHO CC#CC[NH+]1CCC([C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001717986020 1180957847 /nfs/dbraw/zinc/95/78/47/1180957847.db2.gz YQZQNJMAIFWISK-HNNXBMFYSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001725002901 1181821021 /nfs/dbraw/zinc/82/10/21/1181821021.db2.gz MQVMWRFHWKLDIW-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001725002901 1181821023 /nfs/dbraw/zinc/82/10/23/1181821023.db2.gz MQVMWRFHWKLDIW-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2CC)C1 ZINC001725074861 1181846856 /nfs/dbraw/zinc/84/68/56/1181846856.db2.gz AHTOQEWQUIIISW-UYSNPLJNSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCN1C[C@]2(C)CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001725347402 1181966689 /nfs/dbraw/zinc/96/66/89/1181966689.db2.gz SWLLFGIJEXARGL-CALCHBBNSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CCN1C[C@]2(C)CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001725347402 1181966693 /nfs/dbraw/zinc/96/66/93/1181966693.db2.gz SWLLFGIJEXARGL-CALCHBBNSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001732221944 1182867562 /nfs/dbraw/zinc/86/75/62/1182867562.db2.gz ILLGOZKQRJXJNB-HOTGVXAUSA-N 1 3 293.455 1.759 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001732372033 1182933587 /nfs/dbraw/zinc/93/35/87/1182933587.db2.gz LIVRIPPTGOOEPV-CQSZACIVSA-N 1 3 289.423 1.890 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001732600858 1183042594 /nfs/dbraw/zinc/04/25/94/1183042594.db2.gz WTKPRCHIHUALNQ-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001732600858 1183042601 /nfs/dbraw/zinc/04/26/01/1183042601.db2.gz WTKPRCHIHUALNQ-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001733446291 1183434727 /nfs/dbraw/zinc/43/47/27/1183434727.db2.gz UFUTUJWYTKPQRP-OAHLLOKOSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001734002929 1183611188 /nfs/dbraw/zinc/61/11/88/1183611188.db2.gz BFTLDEJOJSLISY-GHMZBOCLSA-N 1 3 264.373 1.320 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000876971176 745744768 /nfs/dbraw/zinc/74/47/68/745744768.db2.gz CABFDRLNRDIIKZ-MIMYLULJSA-N 1 3 259.781 1.042 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000876523672 745824072 /nfs/dbraw/zinc/82/40/72/745824072.db2.gz AYWMHUQNEWUKJN-NWDGAFQWSA-N 1 3 267.760 1.273 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000876536435 745881783 /nfs/dbraw/zinc/88/17/83/745881783.db2.gz ZCUKEZFEKWSUGX-OUAUKWLOSA-N 1 3 259.781 1.090 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000876956175 746860750 /nfs/dbraw/zinc/86/07/50/746860750.db2.gz FRXXAPAACHQDQM-UONOGXRCSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000876787059 747336685 /nfs/dbraw/zinc/33/66/85/747336685.db2.gz FMOSHEJQKFFZQF-QWHCGFSZSA-N 1 3 285.819 1.447 10 30 CDEEHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000870994193 747851652 /nfs/dbraw/zinc/85/16/52/747851652.db2.gz OTYCFVHPKBPRCU-DOMZBBRYSA-N 1 3 280.416 1.231 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000876524605 748958021 /nfs/dbraw/zinc/95/80/21/748958021.db2.gz QVJZUVQTAAYKAG-GFCCVEGCSA-N 1 3 283.759 1.433 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000876742007 749213463 /nfs/dbraw/zinc/21/34/63/749213463.db2.gz QBDHWRAZCLYPLG-STQMWFEESA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266347265 894486794 /nfs/dbraw/zinc/48/67/94/894486794.db2.gz JVFSQRKNKDPBRU-UHFFFAOYSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267557332 898353933 /nfs/dbraw/zinc/35/39/33/898353933.db2.gz CECPJTQXEDELSY-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267557332 898353921 /nfs/dbraw/zinc/35/39/21/898353921.db2.gz CECPJTQXEDELSY-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001268142483 901396945 /nfs/dbraw/zinc/39/69/45/901396945.db2.gz QKFGYINUAPSGNY-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001271675195 906588076 /nfs/dbraw/zinc/58/80/76/906588076.db2.gz DNSJHOIFIXLRAM-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001271720702 906632652 /nfs/dbraw/zinc/63/26/52/906632652.db2.gz FLHIYKJPGUYSOW-GJZGRUSLSA-N 1 3 279.428 1.034 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001482565433 907146945 /nfs/dbraw/zinc/14/69/45/907146945.db2.gz HOEHADFNNAPREK-ZIAGYGMSSA-N 1 3 269.433 1.489 10 30 CDEEHO C=CC[NH2+]C[C@@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001568034164 1169125200 /nfs/dbraw/zinc/12/52/00/1169125200.db2.gz MRZVACXQHNWYMM-OAHLLOKOSA-N 1 3 267.417 1.387 10 30 CDEEHO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001483848714 915110106 /nfs/dbraw/zinc/11/01/06/915110106.db2.gz ZMVPKROIYCEFIS-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001483848714 915110117 /nfs/dbraw/zinc/11/01/17/915110117.db2.gz ZMVPKROIYCEFIS-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001484727519 916085342 /nfs/dbraw/zinc/08/53/42/916085342.db2.gz SUSWQMNUDOWDBL-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001484727519 916085362 /nfs/dbraw/zinc/08/53/62/916085362.db2.gz SUSWQMNUDOWDBL-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001484910897 916261611 /nfs/dbraw/zinc/26/16/11/916261611.db2.gz YLCNVHDUYDHLMV-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001484978295 916357005 /nfs/dbraw/zinc/35/70/05/916357005.db2.gz JKTSWIJUJKWZPG-KBPBESRZSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001484978295 916357026 /nfs/dbraw/zinc/35/70/26/916357026.db2.gz JKTSWIJUJKWZPG-KBPBESRZSA-N 1 3 279.428 1.626 10 30 CDEEHO C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001485428112 916974565 /nfs/dbraw/zinc/97/45/65/916974565.db2.gz IFYXTRUDYUBFHM-GJZGRUSLSA-N 1 3 279.428 1.177 10 30 CDEEHO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001568254106 1169198891 /nfs/dbraw/zinc/19/88/91/1169198891.db2.gz YZYSAEQPSRRWDB-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1CC ZINC001485837555 920085650 /nfs/dbraw/zinc/08/56/50/920085650.db2.gz PVKWDCXFXIZODK-CVEARBPZSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001491116840 936860324 /nfs/dbraw/zinc/86/03/24/936860324.db2.gz BTIDPKLMQNFPNQ-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001491116840 936860327 /nfs/dbraw/zinc/86/03/27/936860327.db2.gz BTIDPKLMQNFPNQ-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CCN[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001491538085 936930212 /nfs/dbraw/zinc/93/02/12/936930212.db2.gz IUTGYMWEZFDSOQ-OAHLLOKOSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001568417241 1169278600 /nfs/dbraw/zinc/27/86/00/1169278600.db2.gz UMXNHLYVRHVNLZ-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001274608420 931519033 /nfs/dbraw/zinc/51/90/33/931519033.db2.gz FUZARWJRDAFHGH-LLYBFZRZSA-N 1 3 277.412 1.002 10 30 CDEEHO C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001264009952 944062935 /nfs/dbraw/zinc/06/29/35/944062935.db2.gz GMZPQLURCYUBMY-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001265590557 944439908 /nfs/dbraw/zinc/43/99/08/944439908.db2.gz CHXOQZUBPGORDB-CVEARBPZSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001265590557 944439914 /nfs/dbraw/zinc/43/99/14/944439914.db2.gz CHXOQZUBPGORDB-CVEARBPZSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001265853026 944541468 /nfs/dbraw/zinc/54/14/68/944541468.db2.gz MCYQGQAHBZLJFY-OLZOCXBDSA-N 1 3 255.406 1.243 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001266007491 944625610 /nfs/dbraw/zinc/62/56/10/944625610.db2.gz ZIGGAQJPGJNXCM-HIFRSBDPSA-N 1 3 290.411 1.888 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001266234683 944776006 /nfs/dbraw/zinc/77/60/06/944776006.db2.gz JBFBHKFJHFNNOQ-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001266234683 944776012 /nfs/dbraw/zinc/77/60/12/944776012.db2.gz JBFBHKFJHFNNOQ-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001569172827 1169701438 /nfs/dbraw/zinc/70/14/38/1169701438.db2.gz ACLBSOISXBIEPF-CVEARBPZSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001344409972 964301537 /nfs/dbraw/zinc/30/15/37/964301537.db2.gz BFYHJLAVIQJBNY-CHWSQXEVSA-N 1 3 267.417 1.564 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001528459080 968855934 /nfs/dbraw/zinc/85/59/34/968855934.db2.gz ZVNNRRKNMNNDDN-OAGGEKHMSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001528459080 968855947 /nfs/dbraw/zinc/85/59/47/968855947.db2.gz ZVNNRRKNMNNDDN-OAGGEKHMSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001496370962 972901042 /nfs/dbraw/zinc/90/10/42/972901042.db2.gz XEMAPZPNLGMOBR-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001569696237 1169967983 /nfs/dbraw/zinc/96/79/83/1169967983.db2.gz YVZOGGJXHQRRJT-MRXNPFEDSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001507028626 975300497 /nfs/dbraw/zinc/30/04/97/975300497.db2.gz RUWRKNQSAMXYOU-ZBFHGGJFSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001507160758 975358613 /nfs/dbraw/zinc/35/86/13/975358613.db2.gz FSAXTOCXEBKNHX-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001507402250 975454158 /nfs/dbraw/zinc/45/41/58/975454158.db2.gz XCAQITYTPJISSA-HUUCEWRRSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)C(C)C ZINC000121233712 342088155 /nfs/dbraw/zinc/08/81/55/342088155.db2.gz BLKNXWJHMMXBPU-WBVHZDCISA-N 1 3 293.455 1.943 10 30 CDEEHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](N)CCCCC#N ZINC000594435830 342899254 /nfs/dbraw/zinc/89/92/54/342899254.db2.gz ADBNUSXNMGNWAZ-ZIAGYGMSSA-N 1 3 280.416 1.388 10 30 CDEEHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)CC[N@@H+]1C ZINC000594437382 342905791 /nfs/dbraw/zinc/90/57/91/342905791.db2.gz BQZMJVUBGZMKCG-HZSPNIEDSA-N 1 3 280.416 1.339 10 30 CDEEHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)CC[N@H+]1C ZINC000594437382 342905792 /nfs/dbraw/zinc/90/57/92/342905792.db2.gz BQZMJVUBGZMKCG-HZSPNIEDSA-N 1 3 280.416 1.339 10 30 CDEEHO CC[NH+]1CCC(CNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594440638 342907148 /nfs/dbraw/zinc/90/71/48/342907148.db2.gz HGGBJRMMBZKVTA-AWEZNQCLSA-N 1 3 280.416 1.246 10 30 CDEEHO C[C@H](CCCC[NH3+])NC(=O)[C@H](N)CCCCC#N ZINC000594444843 342908466 /nfs/dbraw/zinc/90/84/66/342908466.db2.gz ZCRCTVMMZUHIPX-VXGBXAGGSA-N 1 3 254.378 1.031 10 30 CDEEHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594424405 342904071 /nfs/dbraw/zinc/90/40/71/342904071.db2.gz DDPVDPJRVXFLAX-DOMZBBRYSA-N 1 3 288.395 1.734 10 30 CDEEHO CC[C@H](NCCOCC[NH2+]C)c1ccc(C#N)cc1 ZINC000600707669 349876088 /nfs/dbraw/zinc/87/60/88/349876088.db2.gz AAPJZJMOOYZFGN-HNNXBMFYSA-N 1 3 261.369 1.835 10 30 CDEEHO CN(C)[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528475005 367854856 /nfs/dbraw/zinc/85/48/56/367854856.db2.gz JTOGRKQJNIJKRP-KBPBESRZSA-N 1 3 265.401 1.457 10 30 CDEEHO CN(C)[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528475005 367854861 /nfs/dbraw/zinc/85/48/61/367854861.db2.gz JTOGRKQJNIJKRP-KBPBESRZSA-N 1 3 265.401 1.457 10 30 CDEEHO C=CCOc1ccc(CN(C)CCOCC[NH3+])cc1 ZINC000647872220 391120043 /nfs/dbraw/zinc/12/00/43/391120043.db2.gz IEFUANMUKAYAEM-UHFFFAOYSA-N 1 3 264.369 1.659 10 30 CDEEHO C=CCOCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000338914464 391233888 /nfs/dbraw/zinc/23/38/88/391233888.db2.gz ZPJPQEIGVCRMFZ-UHFFFAOYSA-N 1 3 252.402 1.997 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662694945 413328095 /nfs/dbraw/zinc/32/80/95/413328095.db2.gz FAOVEBTXLQPOPD-ZMSDIMECSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@@H](C)N(C)C2CC2)CCC[NH2+]1 ZINC000662712829 413365239 /nfs/dbraw/zinc/36/52/39/413365239.db2.gz LQRBOKBBWXXTRD-DOMZBBRYSA-N 1 3 265.401 1.284 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@H]2CCCCN2CC)CCC[NH2+]1 ZINC000662717094 413372702 /nfs/dbraw/zinc/37/27/02/413372702.db2.gz XEEAFSCDABFTCW-GDBMZVCRSA-N 1 3 279.428 1.675 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@H]2CCN(CC3CC3)C2)CCC[NH2+]1 ZINC000662719621 413378568 /nfs/dbraw/zinc/37/85/68/413378568.db2.gz HPMVEIGCDXPBNS-GOEBONIOSA-N 1 3 277.412 1.285 10 30 CDEEHO CC[NH+](CC)CCNC(=O)c1ccc(C#CCN)c(F)c1 ZINC000043582574 175069881 /nfs/dbraw/zinc/06/98/81/175069881.db2.gz GNSDRCSSRCUNSH-UHFFFAOYSA-N 1 3 291.370 1.208 10 30 CDEEHO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#CCN)s2)C1 ZINC000044560319 175203888 /nfs/dbraw/zinc/20/38/88/175203888.db2.gz UEQHMDBYOZHBQT-LBPRGKRZSA-N 1 3 291.420 1.130 10 30 CDEEHO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#CCN)s2)C1 ZINC000044560319 175203891 /nfs/dbraw/zinc/20/38/91/175203891.db2.gz UEQHMDBYOZHBQT-LBPRGKRZSA-N 1 3 291.420 1.130 10 30 CDEEHO C=CC[NH2+]CCC1CCN(C(=O)CN(C)CCC)CC1 ZINC001666259068 1173122006 /nfs/dbraw/zinc/12/20/06/1173122006.db2.gz KHBSCYWEHWXFLK-UHFFFAOYSA-N 1 3 281.444 1.733 10 30 CDEEHO C[C@@H]1CCC[C@](CNC(=[NH2+])NC[C@H]2CCCO2)(N(C)C)C1 ZINC000261982775 329993930 /nfs/dbraw/zinc/99/39/30/329993930.db2.gz PIHBGJCDFLIXPR-FMKPAKJESA-N 1 3 296.459 1.580 10 30 CDEEHO CC(C)CN1CCCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262473021 330015854 /nfs/dbraw/zinc/01/58/54/330015854.db2.gz BQFYQZINWIGTDY-CHWSQXEVSA-N 1 3 252.406 1.434 10 30 CDEEHO COCCN(C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609873 523623480 /nfs/dbraw/zinc/62/34/80/523623480.db2.gz KAQARJSQMUSWLK-UHFFFAOYSA-N 1 3 262.353 1.084 10 30 CDEEHO COc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1C#CCN ZINC000049609001 524009502 /nfs/dbraw/zinc/00/95/02/524009502.db2.gz OVRYAEMUZRYEMG-OAHLLOKOSA-N 1 3 290.432 1.943 10 30 CDEEHO COc1ccc(C[N@@H+](C)[C@@H]2CCSC2)cc1C#CCN ZINC000049609001 524009504 /nfs/dbraw/zinc/00/95/04/524009504.db2.gz OVRYAEMUZRYEMG-OAHLLOKOSA-N 1 3 290.432 1.943 10 30 CDEEHO C[C@H](C[C@@](C)(N)C#N)N1CCC(C[NH+]2CCCC2)CC1 ZINC000068615395 524630443 /nfs/dbraw/zinc/63/04/43/524630443.db2.gz LBXDLBZJBCKFKO-GDBMZVCRSA-N 1 3 278.444 1.814 10 30 CDEEHO [NH3+]CC#Cc1cc(F)ccc1CN1CCC[C@H]1CO ZINC000049609769 527148656 /nfs/dbraw/zinc/14/86/56/527148656.db2.gz SIRHVQBDZQRSMY-HNNXBMFYSA-N 1 3 262.328 1.093 10 30 CDEEHO NCC#Cc1cccc(OCC[N@@H+]2CCCSCC2)c1 ZINC000049609941 527153656 /nfs/dbraw/zinc/15/36/56/527153656.db2.gz CAIGYXIHVZTWDL-UHFFFAOYSA-N 1 3 290.432 1.815 10 30 CDEEHO NCC#Cc1cccc(OCC[N@H+]2CCCSCC2)c1 ZINC000049609941 527153661 /nfs/dbraw/zinc/15/36/61/527153661.db2.gz CAIGYXIHVZTWDL-UHFFFAOYSA-N 1 3 290.432 1.815 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000876973315 630587679 /nfs/dbraw/zinc/58/76/79/630587679.db2.gz DCXJPJSZWSAVKP-QWRGUYRKSA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000876973315 630587684 /nfs/dbraw/zinc/58/76/84/630587684.db2.gz DCXJPJSZWSAVKP-QWRGUYRKSA-N 1 3 259.781 1.057 10 30 CDEEHO CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001690317327 1175434653 /nfs/dbraw/zinc/43/46/53/1175434653.db2.gz GBFXZXZXAKHHGN-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCN1CCC(NC(=O)C(=C)CC[NH+](C)C)CC1 ZINC000900600057 623277450 /nfs/dbraw/zinc/27/74/50/623277450.db2.gz VRJXKYTUALMCPX-UHFFFAOYSA-N 1 3 265.401 1.261 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691096014 1158906752 /nfs/dbraw/zinc/90/67/52/1158906752.db2.gz RKRXRSSDUKUGGI-GASCZTMLSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001567192509 1168614205 /nfs/dbraw/zinc/61/42/05/1168614205.db2.gz BGHPVCGJVKDQDK-HNNXBMFYSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001567192509 1168614206 /nfs/dbraw/zinc/61/42/06/1168614206.db2.gz BGHPVCGJVKDQDK-HNNXBMFYSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001567253039 1168642329 /nfs/dbraw/zinc/64/23/29/1168642329.db2.gz BIHRXMBRSSNYRE-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001567253039 1168642333 /nfs/dbraw/zinc/64/23/33/1168642333.db2.gz BIHRXMBRSSNYRE-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[NH+]1CC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001567849219 1169014937 /nfs/dbraw/zinc/01/49/37/1169014937.db2.gz UXDOTOAHSVYXHX-KBPBESRZSA-N 1 3 279.428 1.483 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001672287694 1173763641 /nfs/dbraw/zinc/76/36/41/1173763641.db2.gz PNUOYHIEUZNJRI-GJZGRUSLSA-N 1 3 293.455 1.731 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001690392354 1175459046 /nfs/dbraw/zinc/45/90/46/1175459046.db2.gz VRHSAVGGRNIOOQ-INIZCTEOSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CC[NH2+]C1CC(N(C)C(=O)CN(C)CCC)C1 ZINC001701024907 1177243567 /nfs/dbraw/zinc/24/35/67/1177243567.db2.gz JPKWGUZETFILDN-UHFFFAOYSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001713052723 1178331448 /nfs/dbraw/zinc/33/14/48/1178331448.db2.gz IRIXUWXFSOWUMB-OAHLLOKOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001713052723 1178331455 /nfs/dbraw/zinc/33/14/55/1178331455.db2.gz IRIXUWXFSOWUMB-OAHLLOKOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001713206297 1178431082 /nfs/dbraw/zinc/43/10/82/1178431082.db2.gz LTKMXSODGBFYTG-BNOWGMLFSA-N 1 3 290.411 1.852 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001713223610 1178441172 /nfs/dbraw/zinc/44/11/72/1178441172.db2.gz CJQWGKVKCNNCNF-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001713223610 1178441175 /nfs/dbraw/zinc/44/11/75/1178441175.db2.gz CJQWGKVKCNNCNF-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001713245872 1178452095 /nfs/dbraw/zinc/45/20/95/1178452095.db2.gz JNGPQMGRUYZLKB-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001714214955 1179022374 /nfs/dbraw/zinc/02/23/74/1179022374.db2.gz UWJWWZDVCAJCGI-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001714448958 1179144913 /nfs/dbraw/zinc/14/49/13/1179144913.db2.gz NYDYRIDAVPFKIO-HNNXBMFYSA-N 1 3 290.411 1.841 10 30 CDEEHO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001714448958 1179144918 /nfs/dbraw/zinc/14/49/18/1179144918.db2.gz NYDYRIDAVPFKIO-HNNXBMFYSA-N 1 3 290.411 1.841 10 30 CDEEHO C#CCC[NH2+]CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001714798022 1179402704 /nfs/dbraw/zinc/40/27/04/1179402704.db2.gz NWCKSCQGXICTHJ-UHFFFAOYSA-N 1 3 287.407 1.433 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001715506943 1179687290 /nfs/dbraw/zinc/68/72/90/1179687290.db2.gz NTENPSOCCXVTGL-CABCVRRESA-N 1 3 281.444 1.326 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001715555327 1179715340 /nfs/dbraw/zinc/71/53/40/1179715340.db2.gz ASYBDSAIBPCXQG-UONOGXRCSA-N 1 3 288.395 1.158 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001716682162 1180366729 /nfs/dbraw/zinc/36/67/29/1180366729.db2.gz GWIOJLNQJDYQQK-UHFFFAOYSA-N 1 3 277.412 1.123 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001717337806 1180622511 /nfs/dbraw/zinc/62/25/11/1180622511.db2.gz ZWLREJUFXARJKZ-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001717337806 1180622514 /nfs/dbraw/zinc/62/25/14/1180622514.db2.gz ZWLREJUFXARJKZ-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001717373589 1180634957 /nfs/dbraw/zinc/63/49/57/1180634957.db2.gz INRXZIKZOAFCNM-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCN1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001717840872 1180888153 /nfs/dbraw/zinc/88/81/53/1180888153.db2.gz MHRZYXOUGDHHGY-GOEBONIOSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN1CC[C@]2(NC(=O)CC[N@H+](C)CC)CCC[C@H]12 ZINC001717840872 1180888158 /nfs/dbraw/zinc/88/81/58/1180888158.db2.gz MHRZYXOUGDHHGY-GOEBONIOSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001723302177 1181535477 /nfs/dbraw/zinc/53/54/77/1181535477.db2.gz RMUYUTWRMQIEKG-GJZGRUSLSA-N 1 3 279.428 1.531 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001725127979 1181876566 /nfs/dbraw/zinc/87/65/66/1181876566.db2.gz LADSYIPSNTZFRD-KGLIPLIRSA-N 1 3 287.407 1.478 10 30 CDEEHO C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001725373208 1181978648 /nfs/dbraw/zinc/97/86/48/1181978648.db2.gz VATXDYPFXWOFDR-VGWMRTNUSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001725597243 1182067742 /nfs/dbraw/zinc/06/77/42/1182067742.db2.gz RYDQYOYPKNAUPE-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001731435238 1182381928 /nfs/dbraw/zinc/38/19/28/1182381928.db2.gz MYXPLZQOGUMRLI-ILXRZTDVSA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001731703807 1182523259 /nfs/dbraw/zinc/52/32/59/1182523259.db2.gz QSYQQFBWHWVUFZ-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001732465014 1182979080 /nfs/dbraw/zinc/97/90/80/1182979080.db2.gz UMMKHVGVUPUNIB-OAHLLOKOSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001732542139 1183001404 /nfs/dbraw/zinc/00/14/04/1183001404.db2.gz DDCAOVSTJZHYRQ-JSGCOSHPSA-N 1 3 276.384 1.355 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001732998566 1183230567 /nfs/dbraw/zinc/23/05/67/1183230567.db2.gz IWTZUQNNCOXFQX-KBPBESRZSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001733065430 1183273977 /nfs/dbraw/zinc/27/39/77/1183273977.db2.gz IILIIWQBQLRGMR-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001733065430 1183273978 /nfs/dbraw/zinc/27/39/78/1183273978.db2.gz IILIIWQBQLRGMR-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCC ZINC001733082573 1183280099 /nfs/dbraw/zinc/28/00/99/1183280099.db2.gz FEYFQJJTFJGRRT-CVEARBPZSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001733804765 1183536080 /nfs/dbraw/zinc/53/60/80/1183536080.db2.gz HKDGOPBQJFGGIC-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#C[C@H](CCC)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820087523 751846697 /nfs/dbraw/zinc/84/66/97/751846697.db2.gz WYMQQQPKYJBRPL-LSDHHAIUSA-N 1 3 296.459 1.360 10 30 CDEEHO C#C[C@H](CCC)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820087523 751846698 /nfs/dbraw/zinc/84/66/98/751846698.db2.gz WYMQQQPKYJBRPL-LSDHHAIUSA-N 1 3 296.459 1.360 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000876878133 751894083 /nfs/dbraw/zinc/89/40/83/751894083.db2.gz RVVZLAFQMCXMKO-WXRRBKDZSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000876773748 752007924 /nfs/dbraw/zinc/00/79/24/752007924.db2.gz XAIVGXUSVJIOOK-STQMWFEESA-N 1 3 287.835 1.647 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000876723267 752228267 /nfs/dbraw/zinc/22/82/67/752228267.db2.gz QZKQIBWXAWCNCE-RTXFEEFZSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000876723267 752228271 /nfs/dbraw/zinc/22/82/71/752228271.db2.gz QZKQIBWXAWCNCE-RTXFEEFZSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(C)[C@H](CO)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931286620 750865309 /nfs/dbraw/zinc/86/53/09/750865309.db2.gz LOEVGCUKNHZERC-HNNXBMFYSA-N 1 3 268.401 1.110 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000876925443 753028127 /nfs/dbraw/zinc/02/81/27/753028127.db2.gz GAOWFFBMSOWTNR-NWDGAFQWSA-N 1 3 279.771 1.373 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876958597 753274685 /nfs/dbraw/zinc/27/46/85/753274685.db2.gz IDLJLOBSLINPEG-WDEREUQCSA-N 1 3 273.808 1.445 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876958597 753274693 /nfs/dbraw/zinc/27/46/93/753274693.db2.gz IDLJLOBSLINPEG-WDEREUQCSA-N 1 3 273.808 1.445 10 30 CDEEHO C=CC[C@H](CO)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925627814 753355990 /nfs/dbraw/zinc/35/59/90/753355990.db2.gz ABPLQIZDZAYANB-IMJJTQAJSA-N 1 3 266.429 1.929 10 30 CDEEHO C=CCN1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001566929431 1168471582 /nfs/dbraw/zinc/47/15/82/1168471582.db2.gz ZZMPIAXPZXWBHR-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCN1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001566929431 1168471586 /nfs/dbraw/zinc/47/15/86/1168471586.db2.gz ZZMPIAXPZXWBHR-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CCCC=C)CC1 ZINC001567324650 1168679935 /nfs/dbraw/zinc/67/99/35/1168679935.db2.gz WRFUKWDZDLLRTJ-UHFFFAOYSA-N 1 3 291.439 1.346 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CCCC=C)CC1 ZINC001567324650 1168679938 /nfs/dbraw/zinc/67/99/38/1168679938.db2.gz WRFUKWDZDLLRTJ-UHFFFAOYSA-N 1 3 291.439 1.346 10 30 CDEEHO C=CC[N@H+](CCC)CCNC(=O)[C@H]1CCCCN1CC ZINC001481153889 898987451 /nfs/dbraw/zinc/98/74/51/898987451.db2.gz FKIHRBIYHMLLOW-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCCN1CC ZINC001481153889 898987460 /nfs/dbraw/zinc/98/74/60/898987460.db2.gz FKIHRBIYHMLLOW-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[NH+]1CCC(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001267947095 900022259 /nfs/dbraw/zinc/02/22/59/900022259.db2.gz IBGLPTVFXNXPNQ-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001268003942 900256275 /nfs/dbraw/zinc/25/62/75/900256275.db2.gz BOKBSFYGWLIPBT-HUUCEWRRSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CCNCCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001268500582 902409520 /nfs/dbraw/zinc/40/95/20/902409520.db2.gz XJZWKLTUSZPKEH-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001268670454 902925913 /nfs/dbraw/zinc/92/59/13/902925913.db2.gz APNYCMVZUOKMJM-ZIAGYGMSSA-N 1 3 269.433 1.633 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001270516626 904692041 /nfs/dbraw/zinc/69/20/41/904692041.db2.gz GFBVKXFQBOKJMS-CJNGLKHVSA-N 1 3 299.434 1.727 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001270921167 905448283 /nfs/dbraw/zinc/44/82/83/905448283.db2.gz FXZPJRZHIAZQMG-CHWSQXEVSA-N 1 3 253.390 1.093 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899490 908465425 /nfs/dbraw/zinc/46/54/25/908465425.db2.gz QICORTMCZZKVDI-RYUDHWBXSA-N 1 3 273.808 1.175 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482899490 908465434 /nfs/dbraw/zinc/46/54/34/908465434.db2.gz QICORTMCZZKVDI-RYUDHWBXSA-N 1 3 273.808 1.175 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001485340975 916855007 /nfs/dbraw/zinc/85/50/07/916855007.db2.gz AJJHWCAHCXRIQQ-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001485340975 916855015 /nfs/dbraw/zinc/85/50/15/916855015.db2.gz AJJHWCAHCXRIQQ-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001568206310 1169177837 /nfs/dbraw/zinc/17/78/37/1169177837.db2.gz UKXWIRJCQCCCIQ-STQMWFEESA-N 1 3 255.406 1.101 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCCC)CC1 ZINC001485387679 916936603 /nfs/dbraw/zinc/93/66/03/916936603.db2.gz HLGFTUGGGZNOGF-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCCC)CC1 ZINC001485387679 916936613 /nfs/dbraw/zinc/93/66/13/916936613.db2.gz HLGFTUGGGZNOGF-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001568277686 1169218427 /nfs/dbraw/zinc/21/84/27/1169218427.db2.gz CVXXOEXGXFZHCE-GFCCVEGCSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001486483302 921060748 /nfs/dbraw/zinc/06/07/48/921060748.db2.gz GXZUSCVRYXUCAA-UHFFFAOYSA-N 1 3 253.390 1.092 10 30 CDEEHO C#CCNC1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCC1 ZINC001273141076 922837408 /nfs/dbraw/zinc/83/74/08/922837408.db2.gz HKKOBYZNIHLMHM-OAHLLOKOSA-N 1 3 291.439 1.370 10 30 CDEEHO C#CCNC1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCC1 ZINC001273141076 922837424 /nfs/dbraw/zinc/83/74/24/922837424.db2.gz HKKOBYZNIHLMHM-OAHLLOKOSA-N 1 3 291.439 1.370 10 30 CDEEHO N#CCCN1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923413081 923818479 /nfs/dbraw/zinc/81/84/79/923818479.db2.gz CXSLKNORGQKWMN-MQVJKMGUSA-N 1 3 276.428 1.438 10 30 CDEEHO C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001488664710 926642216 /nfs/dbraw/zinc/64/22/16/926642216.db2.gz VGIZJGQATYNRSB-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001488664710 926642220 /nfs/dbraw/zinc/64/22/20/926642220.db2.gz VGIZJGQATYNRSB-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO CC#CCN(C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001490213540 927013722 /nfs/dbraw/zinc/01/37/22/927013722.db2.gz KIPSYVSCDUBKNO-UHFFFAOYSA-N 1 3 291.439 1.324 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001275405525 931775310 /nfs/dbraw/zinc/77/53/10/931775310.db2.gz VMFYGSVHZOHXID-UONOGXRCSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C(C)C ZINC001275751143 931998624 /nfs/dbraw/zinc/99/86/24/931998624.db2.gz PTWSTWQVDNUNLU-UHFFFAOYSA-N 1 3 283.460 1.977 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)CN(C)CCC)CCCCC1 ZINC001276237694 932673594 /nfs/dbraw/zinc/67/35/94/932673594.db2.gz SKVKMCJELWMBDP-UHFFFAOYSA-N 1 3 279.428 1.370 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001276866389 941660774 /nfs/dbraw/zinc/66/07/74/941660774.db2.gz CSZRXHUQQWYGBZ-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001276866389 941660778 /nfs/dbraw/zinc/66/07/78/941660778.db2.gz CSZRXHUQQWYGBZ-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280174894 942421756 /nfs/dbraw/zinc/42/17/56/942421756.db2.gz ZWNZCJYPQZSGAL-CYBMUJFWSA-N 1 3 287.835 1.519 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC=C)CC1 ZINC001277362428 942428536 /nfs/dbraw/zinc/42/85/36/942428536.db2.gz HDBQSPVUVUEPEK-HNNXBMFYSA-N 1 3 291.439 1.392 10 30 CDEEHO CC#CC[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001283238033 942864556 /nfs/dbraw/zinc/86/45/56/942864556.db2.gz GBIWERWWANCGST-CABCVRRESA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001277969195 944267528 /nfs/dbraw/zinc/26/75/28/944267528.db2.gz PRFDNYNNYRNGNC-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001480024617 971542377 /nfs/dbraw/zinc/54/23/77/971542377.db2.gz LWRUOYZMZZNGHZ-HOTGVXAUSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCCC[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001328915230 955552107 /nfs/dbraw/zinc/55/21/07/955552107.db2.gz INBOEJORJRJPAD-QQFBHYJXSA-N 1 3 293.455 1.779 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001494138595 972184132 /nfs/dbraw/zinc/18/41/32/972184132.db2.gz WSBJLKVYTCACFR-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001494138595 972184136 /nfs/dbraw/zinc/18/41/36/972184136.db2.gz WSBJLKVYTCACFR-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001317000492 957195336 /nfs/dbraw/zinc/19/53/36/957195336.db2.gz GOZCMMXPBXETSV-LSDHHAIUSA-N 1 3 293.455 1.729 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001317092906 957265990 /nfs/dbraw/zinc/26/59/90/957265990.db2.gz KDLJIUVBNDBRCB-RBSFLKMASA-N 1 3 281.444 1.918 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001318482806 958126413 /nfs/dbraw/zinc/12/64/13/958126413.db2.gz LVUOHRPVGPHRMH-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001320171807 958985866 /nfs/dbraw/zinc/98/58/66/958985866.db2.gz NHEMPBUTKCZFIH-UONOGXRCSA-N 1 3 290.411 1.711 10 30 CDEEHO CC#CC[NH2+]C/C=C/CNC(=O)CN1CCC(C)CC1 ZINC001321303067 959707870 /nfs/dbraw/zinc/70/78/70/959707870.db2.gz HEERBWSJTSQXHJ-AATRIKPKSA-N 1 3 277.412 1.004 10 30 CDEEHO C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001322442577 960221306 /nfs/dbraw/zinc/22/13/06/960221306.db2.gz MVGIIAZDTOHADK-LBPRGKRZSA-N 1 3 273.808 1.271 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001324100238 961166400 /nfs/dbraw/zinc/16/64/00/961166400.db2.gz WVRUFBKABIJVDT-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001496845448 973121366 /nfs/dbraw/zinc/12/13/66/973121366.db2.gz RNJBVKNENKUZQX-OAHLLOKOSA-N 1 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ZINC000594446391 342908779 /nfs/dbraw/zinc/90/87/79/342908779.db2.gz SGPXHEOJNQGKIQ-HNNXBMFYSA-N 1 3 294.443 1.780 10 30 CDEEHO C=CCCCN(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000076737998 342324669 /nfs/dbraw/zinc/32/46/69/342324669.db2.gz NJVHBXCHYKTUAU-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417543106 377930012 /nfs/dbraw/zinc/93/00/12/377930012.db2.gz UHSPJSLBUYWCPW-ZFWWWQNUSA-N 1 3 294.443 1.324 10 30 CDEEHO N#CCCOCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000339008841 391241313 /nfs/dbraw/zinc/24/13/13/391241313.db2.gz CUWSQZBEUMOCPU-UHFFFAOYSA-N 1 3 295.427 1.493 10 30 CDEEHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C(C)C ZINC000417062913 391341804 /nfs/dbraw/zinc/34/18/04/391341804.db2.gz MTYZXCAPZMZITH-SOUVJXGZSA-N 1 3 296.459 1.720 10 30 CDEEHO C#CCN1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001663587556 1172729554 /nfs/dbraw/zinc/72/95/54/1172729554.db2.gz MYFMQHKUPDSEBO-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[C@]1(C(=O)NCCN2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662680155 413298326 /nfs/dbraw/zinc/29/83/26/413298326.db2.gz GLRYBMAETVXHGV-GOEBONIOSA-N 1 3 279.428 1.533 10 30 CDEEHO C=CC[C@]1(C(=O)NCCN2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662679656 413300247 /nfs/dbraw/zinc/30/02/47/413300247.db2.gz ATIZIHDANCNQBD-GDBMZVCRSA-N 1 3 279.428 1.675 10 30 CDEEHO C=CCN(CC=C)[C@@H](CNC(=O)CC1([NH3+])CC1)C(C)C ZINC000662681902 413304282 /nfs/dbraw/zinc/30/42/82/413304282.db2.gz NCZCMCXVLNEAOG-AWEZNQCLSA-N 1 3 279.428 1.683 10 30 CDEEHO C=CC[C@]1(C(=O)N2CCC[C@H](N(C)C)C2)CCC[NH2+]1 ZINC000662713782 413368661 /nfs/dbraw/zinc/36/86/61/413368661.db2.gz YTRYVJIFAHWQPT-DZGCQCFKSA-N 1 3 265.401 1.237 10 30 CDEEHO CN(Cc1sccc1C#CC[NH3+])C[C@@H]1CCCO1 ZINC000043683888 175092393 /nfs/dbraw/zinc/09/23/93/175092393.db2.gz NINBSFPDVRPAMZ-ZDUSSCGKSA-N 1 3 264.394 1.669 10 30 CDEEHO C=C(C)CN(CC)C(=O)CN1CCC(C[NH3+])CC1 ZINC000044513605 175188951 /nfs/dbraw/zinc/18/89/51/175188951.db2.gz GGRJUSRMJCOPKQ-UHFFFAOYSA-N 1 3 253.390 1.082 10 30 CDEEHO CN1CC[C@@H](C[N@H+](C)Cc2ccccc2C#CCO)C1 ZINC000071190496 176066414 /nfs/dbraw/zinc/06/64/14/176066414.db2.gz FIUFFMBRFCLFNA-OAHLLOKOSA-N 1 3 272.392 1.414 10 30 CDEEHO CN1CC[C@@H](C[N@@H+](C)Cc2ccccc2C#CCO)C1 ZINC000071190496 176066415 /nfs/dbraw/zinc/06/64/15/176066415.db2.gz FIUFFMBRFCLFNA-OAHLLOKOSA-N 1 3 272.392 1.414 10 30 CDEEHO C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001690826327 1175584119 /nfs/dbraw/zinc/58/41/19/1175584119.db2.gz DOSYUVXMIKFXOQ-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001690826327 1175584122 /nfs/dbraw/zinc/58/41/22/1175584122.db2.gz DOSYUVXMIKFXOQ-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCN1CCC(NC(NC2CCC2)=[NH+]CC)CC1 ZINC000262756798 330029623 /nfs/dbraw/zinc/02/96/23/330029623.db2.gz BSCDPFKTZCGABX-UHFFFAOYSA-N 1 3 264.417 1.744 10 30 CDEEHO C[NH+]=C(NC1CC1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262814603 330033527 /nfs/dbraw/zinc/03/35/27/330033527.db2.gz RSAYYXVOMAXKEY-GFCCVEGCSA-N 1 3 250.390 1.331 10 30 CDEEHO CC[N@H+](CCOC)CCOc1ccc(C#CCN)cc1 ZINC000049609716 521133446 /nfs/dbraw/zinc/13/34/46/521133446.db2.gz HDVAFCJDIKSPPR-UHFFFAOYSA-N 1 3 276.380 1.344 10 30 CDEEHO CC[N@@H+](CCOC)CCOc1ccc(C#CCN)cc1 ZINC000049609716 521133458 /nfs/dbraw/zinc/13/34/58/521133458.db2.gz HDVAFCJDIKSPPR-UHFFFAOYSA-N 1 3 276.380 1.344 10 30 CDEEHO CC#CCN1CC[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001713541293 1178634447 /nfs/dbraw/zinc/63/44/47/1178634447.db2.gz KBJSBTOPGKGQHK-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO [NH3+]CC#Cc1cccc(C(=O)NCCN2CCCCC2)c1 ZINC000049575935 527151630 /nfs/dbraw/zinc/15/16/30/527151630.db2.gz GMSPBIGUCMWIOT-UHFFFAOYSA-N 1 3 285.391 1.213 10 30 CDEEHO C=C(CN(C)C)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000764582739 575922714 /nfs/dbraw/zinc/92/27/14/575922714.db2.gz KBTOJXUXDYHLHG-UHFFFAOYSA-N 1 3 267.417 1.342 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001689801769 1175262896 /nfs/dbraw/zinc/26/28/96/1175262896.db2.gz 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279.428 1.322 10 30 CDEEHO C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001485216642 916660258 /nfs/dbraw/zinc/66/02/58/916660258.db2.gz NTTFOUUUMHFNAN-NEPJUHHUSA-N 1 3 278.400 1.710 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486138508 920747384 /nfs/dbraw/zinc/74/73/84/920747384.db2.gz YBOKHDRXNLJJPM-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001490983724 936837187 /nfs/dbraw/zinc/83/71/87/936837187.db2.gz PGAYAAYIXOIAKM-HOTGVXAUSA-N 1 3 291.439 1.273 10 30 CDEEHO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001490983724 936837190 /nfs/dbraw/zinc/83/71/90/936837190.db2.gz PGAYAAYIXOIAKM-HOTGVXAUSA-N 1 3 291.439 1.273 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001568367173 1169261670 /nfs/dbraw/zinc/26/16/70/1169261670.db2.gz FNWQSLASNJTZAQ-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001491271595 936888564 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C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001282484355 942722608 /nfs/dbraw/zinc/72/26/08/942722608.db2.gz CHHBOCHGIBZYEJ-UONOGXRCSA-N 1 3 267.417 1.032 10 30 CDEEHO C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001282484355 942722610 /nfs/dbraw/zinc/72/26/10/942722610.db2.gz CHHBOCHGIBZYEJ-UONOGXRCSA-N 1 3 267.417 1.032 10 30 CDEEHO C=CC[NH+]1CCC([C@H](C)NC(=O)CN(C)CCC)CC1 ZINC001284726081 943248751 /nfs/dbraw/zinc/24/87/51/943248751.db2.gz OXYAFLFKOPCGIX-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001264428111 944133972 /nfs/dbraw/zinc/13/39/72/944133972.db2.gz LDBWXKJCDDZOHK-SHTZXODSSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001265775889 944503355 /nfs/dbraw/zinc/50/33/55/944503355.db2.gz ZVBVXCAGSWTUNW-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001265833116 944531258 /nfs/dbraw/zinc/53/12/58/944531258.db2.gz XQIMHCVBNLQESJ-GJZGRUSLSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266029405 944642040 /nfs/dbraw/zinc/64/20/40/944642040.db2.gz PRVSSNNKQCURPX-LSDHHAIUSA-N 1 3 279.428 1.034 10 30 CDEEHO C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)N(C)C)C1 ZINC001279315308 944793719 /nfs/dbraw/zinc/79/37/19/944793719.db2.gz GUFLBRUGCWJHLE-WXRRBKDZSA-N 1 3 253.390 1.092 10 30 CDEEHO C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001327226198 954781330 /nfs/dbraw/zinc/78/13/30/954781330.db2.gz XSVMFPBTBPERFA-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001327226198 954781340 /nfs/dbraw/zinc/78/13/40/954781340.db2.gz XSVMFPBTBPERFA-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491964674 955549622 /nfs/dbraw/zinc/54/96/22/955549622.db2.gz AEJGJOKUIXPYLB-OAHLLOKOSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491964674 955549626 /nfs/dbraw/zinc/54/96/26/955549626.db2.gz AEJGJOKUIXPYLB-OAHLLOKOSA-N 1 3 279.428 1.273 10 30 CDEEHO N#C[C@@H]1CC[C@H](N2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001422429527 955996964 /nfs/dbraw/zinc/99/69/64/955996964.db2.gz ARDBIVUIPOBISF-CVEARBPZSA-N 1 3 291.439 1.991 10 30 CDEEHO C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001316853421 956312667 /nfs/dbraw/zinc/31/26/67/956312667.db2.gz FIQCDWQSSAJQFY-OAHLLOKOSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@H+](C)CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001316853421 956312678 /nfs/dbraw/zinc/31/26/78/956312678.db2.gz FIQCDWQSSAJQFY-OAHLLOKOSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317346582 957432005 /nfs/dbraw/zinc/43/20/05/957432005.db2.gz XFNZCIQCVZSSOX-CVEARBPZSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[C@@H](C)[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001318155163 957948871 /nfs/dbraw/zinc/94/88/71/957948871.db2.gz PHHTWXGEVNKLQX-LSDHHAIUSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001319472825 958582278 /nfs/dbraw/zinc/58/22/78/958582278.db2.gz LOLWSDYBUNDEFP-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCCN1C(C)C ZINC001320862732 959427957 /nfs/dbraw/zinc/42/79/57/959427957.db2.gz LIIQAVKSMRQDEL-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001321083390 959582736 /nfs/dbraw/zinc/58/27/36/959582736.db2.gz IWLKYDIIWPINFV-LQYUOIDQSA-N 1 3 277.412 1.146 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001321083390 959582747 /nfs/dbraw/zinc/58/27/47/959582747.db2.gz IWLKYDIIWPINFV-LQYUOIDQSA-N 1 3 277.412 1.146 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001324066123 961151032 /nfs/dbraw/zinc/15/10/32/961151032.db2.gz BXVVUAJLPOIJLL-LSDHHAIUSA-N 1 3 291.439 1.463 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001355611726 969226706 /nfs/dbraw/zinc/22/67/06/969226706.db2.gz HQYXNBSLKYRVPD-TZMCWYRMSA-N 1 3 251.374 1.025 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001499935782 974340361 /nfs/dbraw/zinc/34/03/61/974340361.db2.gz MTQQWECTAGOMRT-INIZCTEOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001500378068 974429580 /nfs/dbraw/zinc/42/95/80/974429580.db2.gz HPXNNSWFXQETAH-DOTOQJQBSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCC[NH2+]C1(C)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001502797125 974785628 /nfs/dbraw/zinc/78/56/28/974785628.db2.gz FQKMIUOTZYGMEA-AWEZNQCLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2CC)C1 ZINC001508153986 975622737 /nfs/dbraw/zinc/62/27/37/975622737.db2.gz DCHWKWTVNFUBPZ-UYSNPLJNSA-N 1 3 291.439 1.463 10 30 CDEEHO C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001492879799 976388251 /nfs/dbraw/zinc/38/82/51/976388251.db2.gz WXPMTEUPWFTCFR-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCC[N@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001492879799 976388260 /nfs/dbraw/zinc/38/82/60/976388260.db2.gz WXPMTEUPWFTCFR-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001569821829 1170006157 /nfs/dbraw/zinc/00/61/57/1170006157.db2.gz SXENSCDFGOTAIW-GJZGRUSLSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001677033432 1174307069 /nfs/dbraw/zinc/30/70/69/1174307069.db2.gz ZIYDRKMISGCIFB-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594437664 342905772 /nfs/dbraw/zinc/90/57/72/342905772.db2.gz XAPTWPLTPJIUTI-UKRRQHHQSA-N 1 3 294.443 1.586 10 30 CDEEHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H](N)CCCCC#N ZINC000594440653 342906918 /nfs/dbraw/zinc/90/69/18/342906918.db2.gz HJQAUYWMZOKEMJ-ZIAGYGMSSA-N 1 3 280.416 1.198 10 30 CDEEHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H](N)CCCCC#N ZINC000594440653 342906919 /nfs/dbraw/zinc/90/69/19/342906919.db2.gz HJQAUYWMZOKEMJ-ZIAGYGMSSA-N 1 3 280.416 1.198 10 30 CDEEHO C[C@@H](CNC(=O)[C@H](N)CCCCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000594440626 342907101 /nfs/dbraw/zinc/90/71/01/342907101.db2.gz HDCDBZRBCAREJJ-QLFBSQMISA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@@H](CNC(=O)[C@H](N)CCCCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000594440626 342907102 /nfs/dbraw/zinc/90/71/02/342907102.db2.gz HDCDBZRBCAREJJ-QLFBSQMISA-N 1 3 294.443 1.634 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000594440743 342907431 /nfs/dbraw/zinc/90/74/31/342907431.db2.gz INVYCFINDSSNIH-IHRRRGAJSA-N 1 3 278.400 1.141 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000594440743 342907432 /nfs/dbraw/zinc/90/74/32/342907432.db2.gz INVYCFINDSSNIH-IHRRRGAJSA-N 1 3 278.400 1.141 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000594443625 342908028 /nfs/dbraw/zinc/90/80/28/342908028.db2.gz GDUXMGOHELVYGD-GJZGRUSLSA-N 1 3 292.427 1.246 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000600714575 342242359 /nfs/dbraw/zinc/24/23/59/342242359.db2.gz AIRDQVFQNQHUCJ-IHRRRGAJSA-N 1 3 263.385 1.258 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000600714575 342242360 /nfs/dbraw/zinc/24/23/60/342242360.db2.gz AIRDQVFQNQHUCJ-IHRRRGAJSA-N 1 3 263.385 1.258 10 30 CDEEHO N#CC1(C[C@H](O)CNC2CC[NH+](CC3CC3)CC2)CC1 ZINC000600718526 342244509 /nfs/dbraw/zinc/24/45/09/342244509.db2.gz YGTXEMKIMBYZMR-HNNXBMFYSA-N 1 3 277.412 1.505 10 30 CDEEHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600719901 342244689 /nfs/dbraw/zinc/24/46/89/342244689.db2.gz FLUAYAORAJXLNA-HUUCEWRRSA-N 1 3 279.428 1.751 10 30 CDEEHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600719901 342244690 /nfs/dbraw/zinc/24/46/90/342244690.db2.gz FLUAYAORAJXLNA-HUUCEWRRSA-N 1 3 279.428 1.751 10 30 CDEEHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600719901 342244691 /nfs/dbraw/zinc/24/46/91/342244691.db2.gz FLUAYAORAJXLNA-HUUCEWRRSA-N 1 3 279.428 1.751 10 30 CDEEHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001661276122 1172362756 /nfs/dbraw/zinc/36/27/56/1172362756.db2.gz SYAODKSORNATAO-IYBDPMFKSA-N 1 3 293.455 1.970 10 30 CDEEHO CC(C)CN1CCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000130832278 264369389 /nfs/dbraw/zinc/36/93/89/264369389.db2.gz LDJSYQZKVXYLPV-GFCCVEGCSA-N 1 3 254.422 1.810 10 30 CDEEHO C[C@@H]1CCC[C@](CNC(=[NH2+])N2CCO[C@@H](C)C2)(N(C)C)C1 ZINC000262474002 330015907 /nfs/dbraw/zinc/01/59/07/330015907.db2.gz PMWCUDJWCRQKSJ-YCPHGPKFSA-N 1 3 296.459 1.532 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC12CCOCC2 ZINC000262852471 330035344 /nfs/dbraw/zinc/03/53/44/330035344.db2.gz XETGDPHGDDHXPA-UONOGXRCSA-N 1 3 294.443 1.192 10 30 CDEEHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001269602085 1160065546 /nfs/dbraw/zinc/06/55/46/1160065546.db2.gz SFVSTBPPQIMZBO-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001717472313 1180692801 /nfs/dbraw/zinc/69/28/01/1180692801.db2.gz KZRSCXRGDOIKSI-LSDHHAIUSA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001717472313 1180692803 /nfs/dbraw/zinc/69/28/03/1180692803.db2.gz KZRSCXRGDOIKSI-LSDHHAIUSA-N 1 3 279.428 1.319 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001722915897 1181493602 /nfs/dbraw/zinc/49/36/02/1181493602.db2.gz JDUWIOBGNNHFHD-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001722915897 1181493605 /nfs/dbraw/zinc/49/36/05/1181493605.db2.gz JDUWIOBGNNHFHD-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C[N@H+](CCOc1cccc(C#CCN)c1)[C@H]1CCSC1 ZINC000049609004 522910432 /nfs/dbraw/zinc/91/04/32/522910432.db2.gz GDYHVQHIQMAXNQ-HNNXBMFYSA-N 1 3 290.432 1.813 10 30 CDEEHO C[N@@H+](CCOc1cccc(C#CCN)c1)[C@H]1CCSC1 ZINC000049609004 522910439 /nfs/dbraw/zinc/91/04/39/522910439.db2.gz GDYHVQHIQMAXNQ-HNNXBMFYSA-N 1 3 290.432 1.813 10 30 CDEEHO C=CC(C)(C)NC[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000904473435 626304775 /nfs/dbraw/zinc/30/47/75/626304775.db2.gz RTJJYCLBDNCSOV-LBPRGKRZSA-N 1 3 250.390 1.400 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001266410033 1158534829 /nfs/dbraw/zinc/53/48/29/1158534829.db2.gz WXUCBRVDQUXARP-HOTGVXAUSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1CC ZINC001670596528 1158655160 /nfs/dbraw/zinc/65/51/60/1158655160.db2.gz WLQKTBQOGCVFRK-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001483492918 1160930001 /nfs/dbraw/zinc/93/00/01/1160930001.db2.gz MXAJTWVIOCMJLT-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001566528034 1168321728 /nfs/dbraw/zinc/32/17/28/1168321728.db2.gz HAVCZYPKJXOUCW-HOCLYGCPSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001566723090 1168400300 /nfs/dbraw/zinc/40/03/00/1168400300.db2.gz VXNHJRDWFKBNSS-CVEARBPZSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001656448559 1171825860 /nfs/dbraw/zinc/82/58/60/1171825860.db2.gz RSGSVEKTKBLJGK-UKRRQHHQSA-N 1 3 288.395 1.192 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001662351440 1172536275 /nfs/dbraw/zinc/53/62/75/1172536275.db2.gz VYGYVAKKMOZIPP-GJZGRUSLSA-N 1 3 279.428 1.367 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001672909455 1173808422 /nfs/dbraw/zinc/80/84/22/1173808422.db2.gz GOUBSMAPNFOPAS-OAHLLOKOSA-N 1 3 279.428 1.487 10 30 CDEEHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001690210272 1175404296 /nfs/dbraw/zinc/40/42/96/1175404296.db2.gz ZYRWDMXRRLKXNK-GASCZTMLSA-N 1 3 279.428 1.580 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001690824981 1175580911 /nfs/dbraw/zinc/58/09/11/1175580911.db2.gz OPCYCHPIOBKGON-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CN(C)C(C)C ZINC001698878915 1175976551 /nfs/dbraw/zinc/97/65/51/1175976551.db2.gz OMLGAFXTYYLKDY-OAHLLOKOSA-N 1 3 281.444 1.470 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001698902454 1175981131 /nfs/dbraw/zinc/98/11/31/1175981131.db2.gz UHRZJGHGMPAFEJ-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CC[N@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001700178911 1176784166 /nfs/dbraw/zinc/78/41/66/1176784166.db2.gz LLDXMJXWOQWLPT-AWEZNQCLSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001700178911 1176784170 /nfs/dbraw/zinc/78/41/70/1176784170.db2.gz LLDXMJXWOQWLPT-AWEZNQCLSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001700187142 1176791896 /nfs/dbraw/zinc/79/18/96/1176791896.db2.gz JTHWAJFQFPJITA-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001700187142 1176791898 /nfs/dbraw/zinc/79/18/98/1176791898.db2.gz JTHWAJFQFPJITA-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001700278704 1176829188 /nfs/dbraw/zinc/82/91/88/1176829188.db2.gz HBPVEJYVIVZIHN-AWEZNQCLSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CC[NH2+][C@@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001700506366 1176986512 /nfs/dbraw/zinc/98/65/12/1176986512.db2.gz HLQQYYVEJCUDJH-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001713635946 1178690985 /nfs/dbraw/zinc/69/09/85/1178690985.db2.gz SCGUDZRDINMOTI-HNNXBMFYSA-N 1 3 285.407 1.433 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001715378998 1179650424 /nfs/dbraw/zinc/65/04/24/1179650424.db2.gz YMIFTDBYQNLFAR-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001715479393 1179677298 /nfs/dbraw/zinc/67/72/98/1179677298.db2.gz VBGGNHBVPQSSFC-HIFRSBDPSA-N 1 3 290.411 1.745 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001715682281 1179763775 /nfs/dbraw/zinc/76/37/75/1179763775.db2.gz JUPCUYJQYYUHNO-DGCLKSJQSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716140377 1180067666 /nfs/dbraw/zinc/06/76/66/1180067666.db2.gz TWYAUCBMHSYOFR-JSGCOSHPSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716140378 1180068012 /nfs/dbraw/zinc/06/80/12/1180068012.db2.gz TWYAUCBMHSYOFR-OCCSQVGLSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(C)CC[NH2+]C/C=C\CNC(=O)C1(N(C)C)CCC1 ZINC001716302291 1180148148 /nfs/dbraw/zinc/14/81/48/1180148148.db2.gz CDERBUJZTUYCOC-WAYWQWQTSA-N 1 3 279.428 1.699 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001716661159 1180347011 /nfs/dbraw/zinc/34/70/11/1180347011.db2.gz FTJDACGOCKJCIO-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001724939974 1181800801 /nfs/dbraw/zinc/80/08/01/1181800801.db2.gz CWAUBCOCCLEVJE-KGLIPLIRSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001725604043 1182070486 /nfs/dbraw/zinc/07/04/86/1182070486.db2.gz HRDUUVOWHTYNHF-UONOGXRCSA-N 1 3 265.401 1.237 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001725694319 1182099624 /nfs/dbraw/zinc/09/96/24/1182099624.db2.gz ZCWWLUJXZFKZIQ-CVEARBPZSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CCN(C)CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001731284150 1182296376 /nfs/dbraw/zinc/29/63/76/1182296376.db2.gz UJKWRZHXGUKJEW-UHFFFAOYSA-N 1 3 293.455 1.714 10 30 CDEEHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)CCC)CC1 ZINC001731385966 1182349674 /nfs/dbraw/zinc/34/96/74/1182349674.db2.gz PNMRSSKKDCURMR-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)Cc1nc[nH]c1C ZINC001732217429 1182863740 /nfs/dbraw/zinc/86/37/40/1182863740.db2.gz MOPUBMFPHRBFCF-GFCCVEGCSA-N 1 3 264.373 1.321 10 30 CDEEHO CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001732547289 1183002658 /nfs/dbraw/zinc/00/26/58/1183002658.db2.gz MLRXPPLSPQCLRP-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733053260 1183265877 /nfs/dbraw/zinc/26/58/77/1183265877.db2.gz ILAAAUYOFZQRTD-CYBMUJFWSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CCNC1(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001733264320 1183377217 /nfs/dbraw/zinc/37/72/17/1183377217.db2.gz XMHKCBNPVCCWRZ-UHFFFAOYSA-N 1 3 291.439 1.514 10 30 CDEEHO C=CC[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001733360454 1183409822 /nfs/dbraw/zinc/40/98/22/1183409822.db2.gz UFWMIAFZXZRHMJ-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CC[NH+]1CCC(C)(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001733451818 1183435971 /nfs/dbraw/zinc/43/59/71/1183435971.db2.gz RROCFVQWEVIRGU-OAHLLOKOSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(C[NH+](C)C)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000803121862 759012908 /nfs/dbraw/zinc/01/29/08/759012908.db2.gz MIIAUPFODCDBKJ-UHFFFAOYSA-N 1 3 293.455 1.899 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000876833004 769451472 /nfs/dbraw/zinc/45/14/72/769451472.db2.gz KKZLEIIBKIRIMZ-AXFHLTTASA-N 1 3 259.781 1.042 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000876535715 771267204 /nfs/dbraw/zinc/26/72/04/771267204.db2.gz JMFYJYHMWWXVBG-PWSUYJOCSA-N 1 3 261.797 1.336 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000876711496 771276161 /nfs/dbraw/zinc/27/61/61/771276161.db2.gz ZDLKCHWQZFACKA-LLVKDONJSA-N 1 3 273.808 1.447 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000876846964 771880693 /nfs/dbraw/zinc/88/06/93/771880693.db2.gz GXRAUEJJMDBSRO-QWRGUYRKSA-N 1 3 259.781 1.186 10 30 CDEEHO C=CCN1CCC(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876755261 771958789 /nfs/dbraw/zinc/95/87/89/771958789.db2.gz IQLJUOUXECGRIT-GXMNPTEKSA-N 1 3 277.412 1.309 10 30 CDEEHO C#C[C@](C)(CC)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000852100356 772581744 /nfs/dbraw/zinc/58/17/44/772581744.db2.gz WKHJQORDAPTYBM-MRXNPFEDSA-N 1 3 277.412 1.121 10 30 CDEEHO C[NH+]=C(NCc1ccco1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261949369 772773458 /nfs/dbraw/zinc/77/34/58/772773458.db2.gz GWOHDYFMUBRRGL-GXTWGEPZSA-N 1 3 278.400 1.673 10 30 CDEEHO O=C(C#CC1CC[NH2+]CC1)Nc1ccc2c(c1)CNC2 ZINC000852882295 773123781 /nfs/dbraw/zinc/12/37/81/773123781.db2.gz BVQYAVQINKETIZ-UHFFFAOYSA-N 1 3 269.348 1.231 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000876913283 773150923 /nfs/dbraw/zinc/15/09/23/773150923.db2.gz PSFNZXBFOFJXSM-AGIUHOORSA-N 1 3 285.819 1.447 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000876787055 773285131 /nfs/dbraw/zinc/28/51/31/773285131.db2.gz FMOSHEJQKFFZQF-CHWSQXEVSA-N 1 3 285.819 1.447 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001566839052 1168439960 /nfs/dbraw/zinc/43/99/60/1168439960.db2.gz LMJRXFFROSPZBQ-QLFBSQMISA-N 1 3 279.428 1.672 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001272456961 913141610 /nfs/dbraw/zinc/14/16/10/913141610.db2.gz LSUPFCVNWHWIPW-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001483746276 913655998 /nfs/dbraw/zinc/65/59/98/913655998.db2.gz LFLQUSZVEOAMJU-GFCCVEGCSA-N 1 3 253.390 1.141 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC001266362665 894571595 /nfs/dbraw/zinc/57/15/95/894571595.db2.gz PEUWKMJZDWEMQA-UHFFFAOYSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)CC[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC001266362665 894571603 /nfs/dbraw/zinc/57/16/03/894571603.db2.gz PEUWKMJZDWEMQA-UHFFFAOYSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001267302980 897531317 /nfs/dbraw/zinc/53/13/17/897531317.db2.gz JGXBRFKQVCTEMB-HUUCEWRRSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001267302980 897531330 /nfs/dbraw/zinc/53/13/30/897531330.db2.gz JGXBRFKQVCTEMB-HUUCEWRRSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001267310159 897560212 /nfs/dbraw/zinc/56/02/12/897560212.db2.gz RFELXSJPMXMIGJ-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001267310159 897560223 /nfs/dbraw/zinc/56/02/23/897560223.db2.gz RFELXSJPMXMIGJ-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CC[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267491891 898146980 /nfs/dbraw/zinc/14/69/80/898146980.db2.gz PMSFZXZVBVYDHR-HUUCEWRRSA-N 1 3 291.439 1.178 10 30 CDEEHO CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001267493653 898149356 /nfs/dbraw/zinc/14/93/56/898149356.db2.gz KHYKDZZLAUYSPQ-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)CN(C)CCC)C1 ZINC001267697381 899315813 /nfs/dbraw/zinc/31/58/13/899315813.db2.gz JAZXNXJKLVGRJE-UHFFFAOYSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001481452202 900712922 /nfs/dbraw/zinc/71/29/22/900712922.db2.gz KMLGHPQMRICVAK-HUUCEWRRSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001481452202 900712929 /nfs/dbraw/zinc/71/29/29/900712929.db2.gz KMLGHPQMRICVAK-HUUCEWRRSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001268665024 902925470 /nfs/dbraw/zinc/92/54/70/902925470.db2.gz YCCZCNLXNAVQMK-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H](CC)N(C)C ZINC001268915572 903243246 /nfs/dbraw/zinc/24/32/46/903243246.db2.gz OCRSNPZHJJLVFR-CYBMUJFWSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)CN(C)C1CCC1 ZINC001269413470 903791121 /nfs/dbraw/zinc/79/11/21/903791121.db2.gz VOWPNKWSVSZFDQ-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CC[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCC1 ZINC001269592247 903958140 /nfs/dbraw/zinc/95/81/40/903958140.db2.gz RLUAZNXRUGSWMF-UHFFFAOYSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001271560064 906517924 /nfs/dbraw/zinc/51/79/24/906517924.db2.gz GTYMNDFVYZQKDP-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[NH2+]C/C=C/CNC(=O)c1cccc(CN(C)C)c1 ZINC001483096581 909333147 /nfs/dbraw/zinc/33/31/47/909333147.db2.gz CRSNQFXZPUCPRN-VOTSOKGWSA-N 1 3 299.418 1.647 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001485216646 916659807 /nfs/dbraw/zinc/65/98/07/916659807.db2.gz NTTFOUUUMHFNAN-RYUDHWBXSA-N 1 3 278.400 1.710 10 30 CDEEHO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]2C1 ZINC001485656961 917165569 /nfs/dbraw/zinc/16/55/69/917165569.db2.gz HEKUMASHKWKJOE-ARFHVFGLSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]2C1 ZINC001485656961 917165581 /nfs/dbraw/zinc/16/55/81/917165581.db2.gz HEKUMASHKWKJOE-ARFHVFGLSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001486093041 920692162 /nfs/dbraw/zinc/69/21/62/920692162.db2.gz STFDNNBMUUMWSX-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486178411 920779504 /nfs/dbraw/zinc/77/95/04/920779504.db2.gz CRMHQLWWZXBZCU-HUUCEWRRSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491111995 936858232 /nfs/dbraw/zinc/85/82/32/936858232.db2.gz XBKRDCBHRNPMDA-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491111995 936858235 /nfs/dbraw/zinc/85/82/35/936858235.db2.gz XBKRDCBHRNPMDA-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001273203398 924685503 /nfs/dbraw/zinc/68/55/03/924685503.db2.gz YRIVTJOMWNJMOH-UHFFFAOYSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001568468612 1169301193 /nfs/dbraw/zinc/30/11/93/1169301193.db2.gz LANJZQIDSBOXSM-CABCVRRESA-N 1 3 283.460 1.879 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001275405517 931775471 /nfs/dbraw/zinc/77/54/71/931775471.db2.gz VMFYGSVHZOHXID-KBPBESRZSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001122103021 937905371 /nfs/dbraw/zinc/90/53/71/937905371.db2.gz RZYQXAJOVLENTI-CHWSQXEVSA-N 1 3 267.417 1.564 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001281952794 945232055 /nfs/dbraw/zinc/23/20/55/945232055.db2.gz PEUJOFORKQMVAA-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001281952794 945232070 /nfs/dbraw/zinc/23/20/70/945232070.db2.gz PEUJOFORKQMVAA-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276970463 941751500 /nfs/dbraw/zinc/75/15/00/941751500.db2.gz RAGQNMAVVQBWMS-UONOGXRCSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001276970463 941751503 /nfs/dbraw/zinc/75/15/03/941751503.db2.gz RAGQNMAVVQBWMS-UONOGXRCSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001281957663 942637612 /nfs/dbraw/zinc/63/76/12/942637612.db2.gz SZDJXVVKGDOBHU-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001281957663 942637617 /nfs/dbraw/zinc/63/76/17/942637617.db2.gz SZDJXVVKGDOBHU-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001316630374 943010876 /nfs/dbraw/zinc/01/08/76/943010876.db2.gz JGDMUXOCZFTAOB-JYJNAYRXSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001263874248 944017163 /nfs/dbraw/zinc/01/71/63/944017163.db2.gz WRHXDCYTKBTFDB-BZUAXINKSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001264682454 944162424 /nfs/dbraw/zinc/16/24/24/944162424.db2.gz XRUFKMKDOHVZKB-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001264743056 944173049 /nfs/dbraw/zinc/17/30/49/944173049.db2.gz QUFLMINQVPCJEW-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001264743056 944173053 /nfs/dbraw/zinc/17/30/53/944173053.db2.gz QUFLMINQVPCJEW-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001265436712 944387397 /nfs/dbraw/zinc/38/73/97/944387397.db2.gz MYXPLZQOGUMRLI-SOUVJXGZSA-N 1 3 281.444 1.872 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001265688054 944470125 /nfs/dbraw/zinc/47/01/25/944470125.db2.gz LPEDNQLQTPQXBA-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[N@H+](CC)CCCNC(=O)CN(C)CC(C)(C)C ZINC001266083104 944668658 /nfs/dbraw/zinc/66/86/58/944668658.db2.gz STQBSLXIEDGKHS-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO C#CC[N@@H+](CC)CCCNC(=O)CN(C)CC(C)(C)C ZINC001266083104 944668668 /nfs/dbraw/zinc/66/86/68/944668668.db2.gz STQBSLXIEDGKHS-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001266195252 944746819 /nfs/dbraw/zinc/74/68/19/944746819.db2.gz QFKAVGVKBWDXHR-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CC[N@H+](C)CCC)CC1 ZINC001266195252 944746827 /nfs/dbraw/zinc/74/68/27/944746827.db2.gz QFKAVGVKBWDXHR-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001266234236 944776540 /nfs/dbraw/zinc/77/65/40/944776540.db2.gz ABICVKMCBNDGRT-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001266234236 944776545 /nfs/dbraw/zinc/77/65/45/944776545.db2.gz ABICVKMCBNDGRT-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001279410107 944801221 /nfs/dbraw/zinc/80/12/21/944801221.db2.gz QMHJNQUEEONPNL-IYBDPMFKSA-N 1 3 293.455 1.685 10 30 CDEEHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001279410107 944801227 /nfs/dbraw/zinc/80/12/27/944801227.db2.gz QMHJNQUEEONPNL-IYBDPMFKSA-N 1 3 293.455 1.685 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C ZINC001479724364 971384367 /nfs/dbraw/zinc/38/43/67/971384367.db2.gz MIITZIRCFOCXAC-ILXRZTDVSA-N 1 3 279.428 1.175 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C ZINC001479724364 971384374 /nfs/dbraw/zinc/38/43/74/971384374.db2.gz MIITZIRCFOCXAC-ILXRZTDVSA-N 1 3 279.428 1.175 10 30 CDEEHO C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001278422492 947875082 /nfs/dbraw/zinc/87/50/82/947875082.db2.gz DUJFANJUILAXRG-CABCVRRESA-N 1 3 297.443 1.108 10 30 CDEEHO C=CCC[NH+]1CCC(N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001479892714 971472240 /nfs/dbraw/zinc/47/22/40/971472240.db2.gz IQPOWDNVOULBGL-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC001421762158 955528621 /nfs/dbraw/zinc/52/86/21/955528621.db2.gz BGSUCEJYNBEKBU-NSHDSACASA-N 1 3 275.824 1.421 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC)CC1 ZINC001329202102 955753275 /nfs/dbraw/zinc/75/32/75/955753275.db2.gz HYSCLEGSHBTXGR-ZIAGYGMSSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001329500287 955952337 /nfs/dbraw/zinc/95/23/37/955952337.db2.gz GPZMTSPKXWYXCY-CQSZACIVSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001329500287 955952344 /nfs/dbraw/zinc/95/23/44/955952344.db2.gz GPZMTSPKXWYXCY-CQSZACIVSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001330475095 956444501 /nfs/dbraw/zinc/44/45/01/956444501.db2.gz LXNPJVVKZBEFPE-HRCADAONSA-N 1 3 293.455 1.729 10 30 CDEEHO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001330475095 956444510 /nfs/dbraw/zinc/44/45/10/956444510.db2.gz LXNPJVVKZBEFPE-HRCADAONSA-N 1 3 293.455 1.729 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001331898295 957322344 /nfs/dbraw/zinc/32/23/44/957322344.db2.gz VPHZJNAWUDAWDQ-HIFRSBDPSA-N 1 3 277.412 1.073 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001319711848 958696468 /nfs/dbraw/zinc/69/64/68/958696468.db2.gz IBHLNVMBBAKIKT-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001340982977 963222320 /nfs/dbraw/zinc/22/23/20/963222320.db2.gz IXTNAUQHSVHHKH-GOEBONIOSA-N 1 3 279.428 1.662 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC001353591871 968089068 /nfs/dbraw/zinc/08/90/68/968089068.db2.gz WYOHHTPPRVLKQM-ZDUSSCGKSA-N 1 3 253.390 1.223 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001496357640 972896684 /nfs/dbraw/zinc/89/66/84/972896684.db2.gz MDFIQJRUHLKUIF-TZMCWYRMSA-N 1 3 276.384 1.355 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497911031 973574108 /nfs/dbraw/zinc/57/41/08/973574108.db2.gz RMSNPFPMQBUDMB-CJNGLKHVSA-N 1 3 297.418 1.317 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001498314201 973824277 /nfs/dbraw/zinc/82/42/77/973824277.db2.gz QDQIPKDDULERJC-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001498314201 973824283 /nfs/dbraw/zinc/82/42/83/973824283.db2.gz QDQIPKDDULERJC-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498401556 973886347 /nfs/dbraw/zinc/88/63/47/973886347.db2.gz ZRBLNJASDYBFGS-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001501153813 974542738 /nfs/dbraw/zinc/54/27/38/974542738.db2.gz WIRGCTBRPWWTBY-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO CC#CC[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001508114700 975614249 /nfs/dbraw/zinc/61/42/49/975614249.db2.gz JJEGDRMOBAWKTI-UHFFFAOYSA-N 1 3 277.412 1.073 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001569819767 1170006275 /nfs/dbraw/zinc/00/62/75/1170006275.db2.gz CWQUTDOYSQBOHS-STQMWFEESA-N 1 3 276.384 1.355 10 30 CDEEHO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)CC1(C)C ZINC001677004819 1174307475 /nfs/dbraw/zinc/30/74/75/1174307475.db2.gz ZEIIBJCLFCBFGZ-ZIAGYGMSSA-N 1 3 297.418 1.126 10 30 CDEEHO C=CC[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001570804388 1170282054 /nfs/dbraw/zinc/28/20/54/1170282054.db2.gz HLRIQXAWSVIOPX-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000592346094 342686061 /nfs/dbraw/zinc/68/60/61/342686061.db2.gz PKRJKIRKZNXQRH-HNNXBMFYSA-N 1 3 294.443 1.420 10 30 CDEEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594441673 342907490 /nfs/dbraw/zinc/90/74/90/342907490.db2.gz UMANQRIGPZVIHA-UONOGXRCSA-N 1 3 280.416 1.388 10 30 CDEEHO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594441673 342907491 /nfs/dbraw/zinc/90/74/91/342907491.db2.gz UMANQRIGPZVIHA-UONOGXRCSA-N 1 3 280.416 1.388 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000594450356 342909917 /nfs/dbraw/zinc/90/99/17/342909917.db2.gz ZEKUHZWDWFSUHV-QWHCGFSZSA-N 1 3 278.400 1.189 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000600715724 342244098 /nfs/dbraw/zinc/24/40/98/342244098.db2.gz HTNJTICWTVGNMH-RDBSUJKOSA-N 1 3 263.385 1.258 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000600715724 342244099 /nfs/dbraw/zinc/24/40/99/342244099.db2.gz HTNJTICWTVGNMH-RDBSUJKOSA-N 1 3 263.385 1.258 10 30 CDEEHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600719902 342244633 /nfs/dbraw/zinc/24/46/33/342244633.db2.gz FLUAYAORAJXLNA-LSDHHAIUSA-N 1 3 279.428 1.751 10 30 CDEEHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600719902 342244634 /nfs/dbraw/zinc/24/46/34/342244634.db2.gz FLUAYAORAJXLNA-LSDHHAIUSA-N 1 3 279.428 1.751 10 30 CDEEHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600719902 342244635 /nfs/dbraw/zinc/24/46/35/342244635.db2.gz FLUAYAORAJXLNA-LSDHHAIUSA-N 1 3 279.428 1.751 10 30 CDEEHO CNC(=[NH2+])NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000153557513 361358424 /nfs/dbraw/zinc/35/84/24/361358424.db2.gz RFPJFIMGWYTQFR-HNNXBMFYSA-N 1 3 260.385 1.575 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001661554513 1172405539 /nfs/dbraw/zinc/40/55/39/1172405539.db2.gz CBNAZLIOBZSJDD-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001661554513 1172405546 /nfs/dbraw/zinc/40/55/46/1172405546.db2.gz CBNAZLIOBZSJDD-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001665350033 1172983946 /nfs/dbraw/zinc/98/39/46/1172983946.db2.gz FONLQUDIAIMVGR-DZGCQCFKSA-N 1 3 281.444 1.729 10 30 CDEEHO COC[C@@H](C)N(C)Cc1sccc1C#CC[NH3+] ZINC000043683836 175091582 /nfs/dbraw/zinc/09/15/82/175091582.db2.gz WPAPTMYPSZSKIV-LLVKDONJSA-N 1 3 252.383 1.525 10 30 CDEEHO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(C#CCN)cs1 ZINC000043689077 175095680 /nfs/dbraw/zinc/09/56/80/175095680.db2.gz UNZHJZPKDCALFK-AAEUAGOBSA-N 1 3 291.420 1.144 10 30 CDEEHO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(C#CCN)cs1 ZINC000043689077 175095681 /nfs/dbraw/zinc/09/56/81/175095681.db2.gz UNZHJZPKDCALFK-AAEUAGOBSA-N 1 3 291.420 1.144 10 30 CDEEHO CN1CCCC[C@@H]1CNC(=O)c1ccccc1C#CC[NH3+] ZINC000044566220 175208402 /nfs/dbraw/zinc/20/84/02/175208402.db2.gz FWYUTQKLOFFKTO-OAHLLOKOSA-N 1 3 285.391 1.211 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672208949 1173752047 /nfs/dbraw/zinc/75/20/47/1173752047.db2.gz 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CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001568073818 1169132830 /nfs/dbraw/zinc/13/28/30/1169132830.db2.gz UPVLXSJSFCTQRV-MRXNPFEDSA-N 1 3 293.455 1.570 10 30 CDEEHO C=C(Cl)CNCCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001569257766 1169738186 /nfs/dbraw/zinc/73/81/86/1169738186.db2.gz KZYJQKFPWPCNMQ-UHFFFAOYSA-N 1 3 285.819 1.273 10 30 CDEEHO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001571367258 1170388299 /nfs/dbraw/zinc/38/82/99/1170388299.db2.gz FOVPELJZAKROCJ-LSDHHAIUSA-N 1 3 279.428 1.032 10 30 CDEEHO C#CCC[NH2+][C@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001664467253 1172856589 /nfs/dbraw/zinc/85/65/89/1172856589.db2.gz IARNPBBXJUDGHO-OAHLLOKOSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001668581147 1173428954 /nfs/dbraw/zinc/42/89/54/1173428954.db2.gz DIFNTIQPIKZFBK-JKSUJKDBSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001668581147 1173428961 /nfs/dbraw/zinc/42/89/61/1173428961.db2.gz 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1177130211 /nfs/dbraw/zinc/13/02/11/1177130211.db2.gz ICBQGOSGORXEIG-CYBMUJFWSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001700845642 1177163570 /nfs/dbraw/zinc/16/35/70/1177163570.db2.gz ALMJGPLPEBMDOL-JSGCOSHPSA-N 1 3 276.384 1.497 10 30 CDEEHO CC#CCN1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001707223813 1177973999 /nfs/dbraw/zinc/97/39/99/1177973999.db2.gz NOSVNGJFWKTMGA-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO CC#CCN1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001707223813 1177974002 /nfs/dbraw/zinc/97/40/02/1177974002.db2.gz NOSVNGJFWKTMGA-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001713159480 1178404490 /nfs/dbraw/zinc/40/44/90/1178404490.db2.gz BFFSCPPUXYIXSE-JOCQHMNTSA-N 1 3 265.401 1.284 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001713220757 1178437965 /nfs/dbraw/zinc/43/79/65/1178437965.db2.gz SDTKWYOXXUYYET-INIZCTEOSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713216149 1178438589 /nfs/dbraw/zinc/43/85/89/1178438589.db2.gz ZMRXYHXHQAIMBC-CVEARBPZSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001714035591 1178939250 /nfs/dbraw/zinc/93/92/50/1178939250.db2.gz LXVXLRJMUPACKY-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001714035591 1178939253 /nfs/dbraw/zinc/93/92/53/1178939253.db2.gz LXVXLRJMUPACKY-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001715192043 1179572962 /nfs/dbraw/zinc/57/29/62/1179572962.db2.gz UZEADWXRXQTDEX-HDJSIYSDSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001716223827 1180110390 /nfs/dbraw/zinc/11/03/90/1180110390.db2.gz FSKMWNLJEDNESG-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001716223827 1180110392 /nfs/dbraw/zinc/11/03/92/1180110392.db2.gz FSKMWNLJEDNESG-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001716851754 1180440231 /nfs/dbraw/zinc/44/02/31/1180440231.db2.gz RLRKYPFISXENFW-CQSZACIVSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001716851754 1180440234 /nfs/dbraw/zinc/44/02/34/1180440234.db2.gz RLRKYPFISXENFW-CQSZACIVSA-N 1 3 253.390 1.095 10 30 CDEEHO CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001717215665 1180580070 /nfs/dbraw/zinc/58/00/70/1180580070.db2.gz QWYSDQHSPXXHDU-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO CC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001717215665 1180580075 /nfs/dbraw/zinc/58/00/75/1180580075.db2.gz QWYSDQHSPXXHDU-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001717736666 1180817549 /nfs/dbraw/zinc/81/75/49/1180817549.db2.gz VSAWXZPCZJBENW-JKSUJKDBSA-N 1 3 293.455 1.423 10 30 CDEEHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001723023626 1181510425 /nfs/dbraw/zinc/51/04/25/1181510425.db2.gz TUVGUVRSBNYHDD-AWEZNQCLSA-N 1 3 299.846 1.519 10 30 CDEEHO C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001733355758 1183408007 /nfs/dbraw/zinc/40/80/07/1183408007.db2.gz DRZGOUSKNZQUTQ-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](C(C)C)CC1 ZINC001733373801 1183411710 /nfs/dbraw/zinc/41/17/10/1183411710.db2.gz KAAZWJYDROJNKA-UHFFFAOYSA-N 1 3 293.455 1.663 10 30 CDEEHO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001734060518 1183643043 /nfs/dbraw/zinc/64/30/43/1183643043.db2.gz VRGTVIIQUMASLA-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001734060518 1183643041 /nfs/dbraw/zinc/64/30/41/1183643041.db2.gz VRGTVIIQUMASLA-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO C#CCC[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001734252110 1183704777 /nfs/dbraw/zinc/70/47/77/1183704777.db2.gz FWVLJVFKXQEZJS-LSDHHAIUSA-N 1 3 279.428 1.226 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000876750684 774741643 /nfs/dbraw/zinc/74/16/43/774741643.db2.gz XXZSKSDWZLDBQW-WDEREUQCSA-N 1 3 261.797 1.303 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000876750684 774741663 /nfs/dbraw/zinc/74/16/63/774741663.db2.gz XXZSKSDWZLDBQW-WDEREUQCSA-N 1 3 261.797 1.303 10 30 CDEEHO CC[N@@H+]1CC[C@H](N(C)CCOCCC#N)[C@H](C)C1 ZINC000815071041 774837748 /nfs/dbraw/zinc/83/77/48/774837748.db2.gz DAFBHADAPMDKAZ-KGLIPLIRSA-N 1 3 253.390 1.579 10 30 CDEEHO CC[N@H+]1CC[C@H](N(C)CCOCCC#N)[C@H](C)C1 ZINC000815071041 774837749 /nfs/dbraw/zinc/83/77/49/774837749.db2.gz DAFBHADAPMDKAZ-KGLIPLIRSA-N 1 3 253.390 1.579 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000876720122 776785292 /nfs/dbraw/zinc/78/52/92/776785292.db2.gz CDJBAVCKVKXHPX-CQSZACIVSA-N 1 3 299.846 1.980 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000876754351 776917942 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C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000876756346 778831973 /nfs/dbraw/zinc/83/19/73/778831973.db2.gz RWFWPSJNOQPWPY-GFCCVEGCSA-N 1 3 273.808 1.447 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000876756346 778831975 /nfs/dbraw/zinc/83/19/75/778831975.db2.gz RWFWPSJNOQPWPY-GFCCVEGCSA-N 1 3 273.808 1.447 10 30 CDEEHO COc1ccc(C[NH2+]C2CC(N(C)C)C2)cc1C#N ZINC000701453291 779541984 /nfs/dbraw/zinc/54/19/84/779541984.db2.gz KACBQZXUDQEOLB-UHFFFAOYSA-N 1 3 259.353 1.749 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000876729337 780015090 /nfs/dbraw/zinc/01/50/90/780015090.db2.gz KMTCAKUYQWNCNF-QWHCGFSZSA-N 1 3 285.819 1.543 10 30 CDEEHO C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001565938104 1168071417 /nfs/dbraw/zinc/07/14/17/1168071417.db2.gz FMSYZIOVRUDIEO-HIFRSBDPSA-N 1 3 290.411 1.745 10 30 CDEEHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001565900776 1168198649 /nfs/dbraw/zinc/19/86/49/1168198649.db2.gz YXPVOZYFEXICQH-BFHYXJOUSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001566739262 1168406347 /nfs/dbraw/zinc/40/63/47/1168406347.db2.gz WFLROUAHZBARSZ-JKSUJKDBSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001566739262 1168406350 /nfs/dbraw/zinc/40/63/50/1168406350.db2.gz WFLROUAHZBARSZ-JKSUJKDBSA-N 1 3 293.455 1.520 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001272563567 913448928 /nfs/dbraw/zinc/44/89/28/913448928.db2.gz CGMCTYHCDCMUSB-CVEARBPZSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)CN(CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001567451549 1168771630 /nfs/dbraw/zinc/77/16/30/1168771630.db2.gz VNNKHRDUQGJJAK-UHFFFAOYSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001266734932 895943429 /nfs/dbraw/zinc/94/34/29/895943429.db2.gz CXCHCMCYUCBKDZ-ZNMIVQPWSA-N 1 3 277.412 1.121 10 30 CDEEHO CC#CCN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001266964749 896456766 /nfs/dbraw/zinc/45/67/66/896456766.db2.gz NZUYEAOUNKIWQR-LSDHHAIUSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CCN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001266964749 896456775 /nfs/dbraw/zinc/45/67/75/896456775.db2.gz NZUYEAOUNKIWQR-LSDHHAIUSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267069340 896683709 /nfs/dbraw/zinc/68/37/09/896683709.db2.gz UNHGWDMXKNUBIX-AWEZNQCLSA-N 1 3 265.401 1.096 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001267571894 898445104 /nfs/dbraw/zinc/44/51/04/898445104.db2.gz UQMGUTPIYIBSTI-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001267571894 898445115 /nfs/dbraw/zinc/44/51/15/898445115.db2.gz UQMGUTPIYIBSTI-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001267601630 898709004 /nfs/dbraw/zinc/70/90/04/898709004.db2.gz RVACOXCPJNJFCM-INIZCTEOSA-N 1 3 295.471 1.929 10 30 CDEEHO C=CC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001267601630 898709009 /nfs/dbraw/zinc/70/90/09/898709009.db2.gz RVACOXCPJNJFCM-INIZCTEOSA-N 1 3 295.471 1.929 10 30 CDEEHO CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001267820699 899810094 /nfs/dbraw/zinc/81/00/94/899810094.db2.gz HHIAVIBGABBGON-JKSUJKDBSA-N 1 3 293.455 1.757 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CCCC)CC1 ZINC001268016134 900301464 /nfs/dbraw/zinc/30/14/64/900301464.db2.gz ZMSQXKJEWVEANY-HNNXBMFYSA-N 1 3 293.455 1.474 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001567709442 1168930158 /nfs/dbraw/zinc/93/01/58/1168930158.db2.gz ORJLEMSZXOCIHX-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001567709442 1168930165 /nfs/dbraw/zinc/93/01/65/1168930165.db2.gz ORJLEMSZXOCIHX-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001342739347 901177304 /nfs/dbraw/zinc/17/73/04/901177304.db2.gz UCJYPZFQLCURSA-UKRRQHHQSA-N 1 3 265.401 1.415 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CCCF)CC1 ZINC001268759599 903092157 /nfs/dbraw/zinc/09/21/57/903092157.db2.gz MQDUZLQXUFEEQD-CQSZACIVSA-N 1 3 297.418 1.128 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCCF)CC1 ZINC001268759599 903092167 /nfs/dbraw/zinc/09/21/67/903092167.db2.gz MQDUZLQXUFEEQD-CQSZACIVSA-N 1 3 297.418 1.128 10 30 CDEEHO C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001268900620 903225449 /nfs/dbraw/zinc/22/54/49/903225449.db2.gz LGSANECVDYMKEZ-GOEBONIOSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CCC[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001269943044 904225148 /nfs/dbraw/zinc/22/51/48/904225148.db2.gz GMWYIZJGNLBCOS-UHFFFAOYSA-N 1 3 293.455 1.877 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)N(C)C ZINC001482353238 905174388 /nfs/dbraw/zinc/17/43/88/905174388.db2.gz FZTJDWISUVBPJX-STQMWFEESA-N 1 3 255.406 1.339 10 30 CDEEHO C#CCCN1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567914186 1169062043 /nfs/dbraw/zinc/06/20/43/1169062043.db2.gz ARFLMWKDCMKRHT-JKSUJKDBSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCCN1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567914186 1169062054 /nfs/dbraw/zinc/06/20/54/1169062054.db2.gz ARFLMWKDCMKRHT-JKSUJKDBSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001483848713 915109976 /nfs/dbraw/zinc/10/99/76/915109976.db2.gz ZMVPKROIYCEFIS-KRWDZBQOSA-N 1 3 291.439 1.276 10 30 CDEEHO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001483848713 915109982 /nfs/dbraw/zinc/10/99/82/915109982.db2.gz ZMVPKROIYCEFIS-KRWDZBQOSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001485110344 916537682 /nfs/dbraw/zinc/53/76/82/916537682.db2.gz FPLANOYDIWRTJG-GPANFISMSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001485216644 916660676 /nfs/dbraw/zinc/66/06/76/916660676.db2.gz NTTFOUUUMHFNAN-NWDGAFQWSA-N 1 3 278.400 1.710 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001568205549 1169176311 /nfs/dbraw/zinc/17/63/11/1169176311.db2.gz OUQJEQWFQRQZMF-LLVKDONJSA-N 1 3 264.373 1.179 10 30 CDEEHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC001118383416 937622086 /nfs/dbraw/zinc/62/20/86/937622086.db2.gz GVQJENSTLLBAED-BFHYXJOUSA-N 1 3 280.416 1.387 10 30 CDEEHO C#CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001568633078 1169408459 /nfs/dbraw/zinc/40/84/59/1169408459.db2.gz XCKCKQFCRWOQHE-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001331462911 945172748 /nfs/dbraw/zinc/17/27/48/945172748.db2.gz ZIZOLWHRDUSMCP-UONOGXRCSA-N 1 3 285.407 1.126 10 30 CDEEHO CC#CC[C@@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001206499693 940049677 /nfs/dbraw/zinc/04/96/77/940049677.db2.gz ZWKPORMXEUQWAH-CGZBRXJRSA-N 1 3 294.439 1.384 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001284331017 943150025 /nfs/dbraw/zinc/15/00/25/943150025.db2.gz FTWAAVAQJUZENB-AWEZNQCLSA-N 1 3 290.411 1.745 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001264478580 944140977 /nfs/dbraw/zinc/14/09/77/944140977.db2.gz HZVXLLOFPSXJDP-ZNMIVQPWSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001277945801 944157689 /nfs/dbraw/zinc/15/76/89/944157689.db2.gz IPFZROIKWSPLIA-OLZOCXBDSA-N 1 3 278.400 1.743 10 30 CDEEHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001264655577 944159404 /nfs/dbraw/zinc/15/94/04/944159404.db2.gz GJPSEKDQDIJAJD-CABCVRRESA-N 1 3 279.428 1.295 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001264655577 944159406 /nfs/dbraw/zinc/15/94/06/944159406.db2.gz GJPSEKDQDIJAJD-CABCVRRESA-N 1 3 279.428 1.295 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001265456218 944394695 /nfs/dbraw/zinc/39/46/95/944394695.db2.gz LCHMJTUUAQAFQU-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCC[N@@H+](C)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001265923674 944576465 /nfs/dbraw/zinc/57/64/65/944576465.db2.gz USUARQPDCCHICK-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCC[N@H+](C)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001265923674 944576469 /nfs/dbraw/zinc/57/64/69/944576469.db2.gz USUARQPDCCHICK-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001479374662 971313475 /nfs/dbraw/zinc/31/34/75/971313475.db2.gz JJSSJAJUNHAFRH-KKUMJFAQSA-N 1 3 281.444 1.633 10 30 CDEEHO CC#CCN(C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001479805580 971429768 /nfs/dbraw/zinc/42/97/68/971429768.db2.gz IFLSVBRPTMIQCE-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001480236402 971641493 /nfs/dbraw/zinc/64/14/93/971641493.db2.gz OPFCOQVWVIRCMT-BETUJISGSA-N 1 3 276.384 1.464 10 30 CDEEHO CC#CCN1C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001325773106 954066166 /nfs/dbraw/zinc/06/61/66/954066166.db2.gz UTWCHWSTGSWOSE-IYBDPMFKSA-N 1 3 291.439 1.132 10 30 CDEEHO CC#CCN1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001325773106 954066178 /nfs/dbraw/zinc/06/61/78/954066178.db2.gz UTWCHWSTGSWOSE-IYBDPMFKSA-N 1 3 291.439 1.132 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001493334039 972018769 /nfs/dbraw/zinc/01/87/69/972018769.db2.gz LCRIXXVOZRWMTJ-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001493385086 972038137 /nfs/dbraw/zinc/03/81/37/972038137.db2.gz BDDWJLGLUHMXFM-INIZCTEOSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001493385086 972038143 /nfs/dbraw/zinc/03/81/43/972038143.db2.gz BDDWJLGLUHMXFM-INIZCTEOSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001492034758 955620962 /nfs/dbraw/zinc/62/09/62/955620962.db2.gz NCXMIWOSRUTMLU-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001493831249 972122397 /nfs/dbraw/zinc/12/23/97/972122397.db2.gz STLDVHGETFDUSK-CQSZACIVSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001480683573 956534824 /nfs/dbraw/zinc/53/48/24/956534824.db2.gz OQRQINQGGCBXQE-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CC[N@@H+](CC)CCCNC(=O)[C@H](CC)N(C)C ZINC001316907321 957112785 /nfs/dbraw/zinc/11/27/85/957112785.db2.gz MFUPBKUMAUBPHU-AWEZNQCLSA-N 1 3 267.417 1.178 10 30 CDEEHO CC#CC[N@H+](CC)CCCNC(=O)[C@H](CC)N(C)C ZINC001316907321 957112792 /nfs/dbraw/zinc/11/27/92/957112792.db2.gz MFUPBKUMAUBPHU-AWEZNQCLSA-N 1 3 267.417 1.178 10 30 CDEEHO C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317204729 957337678 /nfs/dbraw/zinc/33/76/78/957337678.db2.gz CYRGYQYCKIKBBR-CVEARBPZSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCC2CC2)CC1 ZINC001317294677 957407738 /nfs/dbraw/zinc/40/77/38/957407738.db2.gz OZJOCTYBYDZPHG-AWEZNQCLSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001317527559 957531357 /nfs/dbraw/zinc/53/13/57/957531357.db2.gz MZCHBRVFZZLJIZ-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001317527559 957531360 /nfs/dbraw/zinc/53/13/60/957531360.db2.gz MZCHBRVFZZLJIZ-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317543175 957538660 /nfs/dbraw/zinc/53/86/60/957538660.db2.gz QTGZZWJQRYMMCL-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001319472826 958581928 /nfs/dbraw/zinc/58/19/28/958581928.db2.gz LOLWSDYBUNDEFP-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)N(C)C ZINC001321107620 959597531 /nfs/dbraw/zinc/59/75/31/959597531.db2.gz OYZUMVLNZINCRP-WSROAFLRSA-N 1 3 253.390 1.021 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1CC ZINC001323166575 960492989 /nfs/dbraw/zinc/49/29/89/960492989.db2.gz DEYDESXTTUUBGR-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001480474343 967952352 /nfs/dbraw/zinc/95/23/52/967952352.db2.gz YPDDODDVSWKOEQ-KBPBESRZSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC001495815677 972648856 /nfs/dbraw/zinc/64/88/56/972648856.db2.gz RKRNRPXOQATSHU-ZDUSSCGKSA-N 1 3 255.406 1.245 10 30 CDEEHO C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001569716513 1169974045 /nfs/dbraw/zinc/97/40/45/1169974045.db2.gz SRQDICIPYAYKFY-NVXWUHKLSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001569716513 1169974051 /nfs/dbraw/zinc/97/40/51/1169974051.db2.gz SRQDICIPYAYKFY-NVXWUHKLSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001375560363 974422679 /nfs/dbraw/zinc/42/26/79/974422679.db2.gz ZKKJDYHGRRSJDT-IHRRRGAJSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001375560363 974422682 /nfs/dbraw/zinc/42/26/82/974422682.db2.gz ZKKJDYHGRRSJDT-IHRRRGAJSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)CCC)C1 ZINC001507419569 975462361 /nfs/dbraw/zinc/46/23/61/975462361.db2.gz VEMJVARPJLJCEQ-CABCVRRESA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001674759096 1174006079 /nfs/dbraw/zinc/00/60/79/1174006079.db2.gz ASETWFRMYYPWKZ-VXGBXAGGSA-N 1 3 278.400 1.710 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1 ZINC001656575668 1171847318 /nfs/dbraw/zinc/84/73/18/1171847318.db2.gz FSWGCQQHCOHYNY-HIFRSBDPSA-N 1 3 290.411 1.745 10 30 CDEEHO C[NH2+]Cc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000593915009 342856456 /nfs/dbraw/zinc/85/64/56/342856456.db2.gz SUWTZEHJWZOCMQ-CQSZACIVSA-N 1 3 274.368 1.043 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000594438895 342906403 /nfs/dbraw/zinc/90/64/03/342906403.db2.gz QOBPGQUKPQKWSO-UONOGXRCSA-N 1 3 278.400 1.094 10 30 CDEEHO CC[C@H](NCCOCCC[NH3+])c1ccc(C#N)cc1 ZINC000600708316 342243227 /nfs/dbraw/zinc/24/32/27/342243227.db2.gz FQNFTNPBMPEEJJ-HNNXBMFYSA-N 1 3 261.369 1.964 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001660372035 1172204951 /nfs/dbraw/zinc/20/49/51/1172204951.db2.gz LDSITABPGNASMP-AWEZNQCLSA-N 1 3 269.433 1.587 10 30 CDEEHO C=C(C)C[N@H+](C)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001660372035 1172204954 /nfs/dbraw/zinc/20/49/54/1172204954.db2.gz LDSITABPGNASMP-AWEZNQCLSA-N 1 3 269.433 1.587 10 30 CDEEHO C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001664687161 1172885907 /nfs/dbraw/zinc/88/59/07/1172885907.db2.gz PYQGIRUTADUYQS-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001664687161 1172885917 /nfs/dbraw/zinc/88/59/17/1172885917.db2.gz PYQGIRUTADUYQS-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO N#Cc1ccc(NC(=O)CCN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044531165 175196233 /nfs/dbraw/zinc/19/62/33/175196233.db2.gz JOTWWMYYIXKYJC-AWEZNQCLSA-N 1 3 286.379 1.558 10 30 CDEEHO CN1CC[C@@H](C[N@H+](C)Cc2ccccc2C#CCCO)C1 ZINC000071190490 176067157 /nfs/dbraw/zinc/06/71/57/176067157.db2.gz RLLBEGIYFXNKQF-MRXNPFEDSA-N 1 3 286.419 1.804 10 30 CDEEHO CN1CC[C@@H](C[N@@H+](C)Cc2ccccc2C#CCCO)C1 ZINC000071190490 176067158 /nfs/dbraw/zinc/06/71/58/176067158.db2.gz RLLBEGIYFXNKQF-MRXNPFEDSA-N 1 3 286.419 1.804 10 30 CDEEHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccccc1C#CCN ZINC000071192977 176074810 /nfs/dbraw/zinc/07/48/10/176074810.db2.gz WTNGJFNZVWLFEW-AWEZNQCLSA-N 1 3 285.391 1.021 10 30 CDEEHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccccc1C#CCN ZINC000071192977 176074811 /nfs/dbraw/zinc/07/48/11/176074811.db2.gz WTNGJFNZVWLFEW-AWEZNQCLSA-N 1 3 285.391 1.021 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCC[NH2+]1 ZINC000662855273 424529487 /nfs/dbraw/zinc/52/94/87/424529487.db2.gz WCKAWTUAKUYEIC-XJKSGUPXSA-N 1 3 279.428 1.674 10 30 CDEEHO C#CC[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001669482665 1173555670 /nfs/dbraw/zinc/55/56/70/1173555670.db2.gz NLRFQWSDNRFPPZ-CYBMUJFWSA-N 1 3 273.380 1.089 10 30 CDEEHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001672531460 1173782414 /nfs/dbraw/zinc/78/24/14/1173782414.db2.gz VDEKAFLQXVYEFE-CABCVRRESA-N 1 3 291.439 1.580 10 30 CDEEHO C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)N1CCCC[C@@H]1C ZINC000262427181 330009783 /nfs/dbraw/zinc/00/97/83/330009783.db2.gz CZCACYIHYOONCJ-MELADBBJSA-N 1 3 282.432 1.285 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268414037 1159932622 /nfs/dbraw/zinc/93/26/22/1159932622.db2.gz QCOCUNQLHBIISO-KGLIPLIRSA-N 1 3 269.433 1.633 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001482102234 1159981184 /nfs/dbraw/zinc/98/11/84/1159981184.db2.gz RJYPKORGJUWEEZ-HUUCEWRRSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCCC[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001691528048 1160360601 /nfs/dbraw/zinc/36/06/01/1160360601.db2.gz GCCWWWSFHWOTQQ-UHFFFAOYSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001715948959 1179936271 /nfs/dbraw/zinc/93/62/71/1179936271.db2.gz JQNMAWSBZUHCLN-CYBMUJFWSA-N 1 3 267.417 1.082 10 30 CDEEHO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(C#CCN)cc1 ZINC000049232185 519814327 /nfs/dbraw/zinc/81/43/27/519814327.db2.gz VVUVFUZIHOZFAM-INIZCTEOSA-N 1 3 287.407 1.313 10 30 CDEEHO CCN1CCC[C@H](NC(=O)c2cccc(C#CC[NH3+])c2)C1 ZINC000049232056 521648759 /nfs/dbraw/zinc/64/87/59/521648759.db2.gz SGPGTGVPJRUXHK-INIZCTEOSA-N 1 3 285.391 1.211 10 30 CDEEHO CN(Cc1ccccc1C#CC[NH3+])C[C@@H]1CCCCO1 ZINC000049609521 523357912 /nfs/dbraw/zinc/35/79/12/523357912.db2.gz YBAZDOAYQMAPMV-KRWDZBQOSA-N 1 3 272.392 1.998 10 30 CDEEHO COc1ccc(C#CC[NH3+])cc1CN1CCCC[C@@H]1CO ZINC000049609781 523512800 /nfs/dbraw/zinc/51/28/00/523512800.db2.gz FRHQBFSYPQYDIF-MRXNPFEDSA-N 1 3 288.391 1.352 10 30 CDEEHO [NH3+]CC#Cc1cc(F)ccc1CN1CCCC[C@H]1CCO ZINC000049608685 527147548 /nfs/dbraw/zinc/14/75/48/527147548.db2.gz NIDRCUMKVYHNGQ-KRWDZBQOSA-N 1 3 290.382 1.873 10 30 CDEEHO CC#CC[N@H+](CC)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001689956071 1175321062 /nfs/dbraw/zinc/32/10/62/1175321062.db2.gz DORASLWYXHIGQC-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CC[N@@H+](CC)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001689956071 1175321069 /nfs/dbraw/zinc/32/10/69/1175321069.db2.gz DORASLWYXHIGQC-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001691482087 1159377114 /nfs/dbraw/zinc/37/71/14/1159377114.db2.gz ZKRVOTSRVZAZCD-NMWPEEMBSA-N 1 3 279.428 1.530 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001670793911 1159858038 /nfs/dbraw/zinc/85/80/38/1159858038.db2.gz ZHXKJEGUBMRMGF-AWEZNQCLSA-N 1 3 279.428 1.675 10 30 CDEEHO C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001566827375 1168434752 /nfs/dbraw/zinc/43/47/52/1168434752.db2.gz QRCMSZZLTMMLFG-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001566827375 1168434755 /nfs/dbraw/zinc/43/47/55/1168434755.db2.gz QRCMSZZLTMMLFG-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001566939648 1168475540 /nfs/dbraw/zinc/47/55/40/1168475540.db2.gz IVBLZBCRQJKHTL-OAHLLOKOSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001691917464 1175651550 /nfs/dbraw/zinc/65/15/50/1175651550.db2.gz HTJMNESWNSYNTD-OWCLPIDISA-N 1 3 291.439 1.226 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001698920956 1175984935 /nfs/dbraw/zinc/98/49/35/1175984935.db2.gz QQJIWHBJPSJFHF-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001699024066 1176047450 /nfs/dbraw/zinc/04/74/50/1176047450.db2.gz QERBMUQSMDGMDT-GOEBONIOSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001699681812 1176567167 /nfs/dbraw/zinc/56/71/67/1176567167.db2.gz BBHLRWACNPOMPR-KGLIPLIRSA-N 1 3 265.401 1.189 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001700989422 1177228496 /nfs/dbraw/zinc/22/84/96/1177228496.db2.gz YUAHHNZVIVHKHJ-AWEZNQCLSA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001713037949 1178322730 /nfs/dbraw/zinc/32/27/30/1178322730.db2.gz QWQWDJXHBGUGEJ-GDBMZVCRSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001713037949 1178322738 /nfs/dbraw/zinc/32/27/38/1178322738.db2.gz QWQWDJXHBGUGEJ-GDBMZVCRSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001713121667 1178379870 /nfs/dbraw/zinc/37/98/70/1178379870.db2.gz MIWWWUGXOKUSCE-GDBMZVCRSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001713418821 1178550103 /nfs/dbraw/zinc/55/01/03/1178550103.db2.gz KKQXAMZJCYAFTI-HUUCEWRRSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CCCC[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001714261396 1179052778 /nfs/dbraw/zinc/05/27/78/1179052778.db2.gz HOVLWPBOYAXNIU-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO CN(CCNCc1ccc(C#N)s1)C(=O)CC[NH+](C)C ZINC001714754112 1179377571 /nfs/dbraw/zinc/37/75/71/1179377571.db2.gz YEVCLPYRBALXEM-UHFFFAOYSA-N 1 3 294.424 1.119 10 30 CDEEHO C=CCC[NH2+]C[C@@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001715118192 1179558371 /nfs/dbraw/zinc/55/83/71/1179558371.db2.gz AXOSLSUCFGNZOL-MRXNPFEDSA-N 1 3 290.411 1.711 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001716614403 1180305929 /nfs/dbraw/zinc/30/59/29/1180305929.db2.gz VAWNCQYTFZFCFL-AWEZNQCLSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CCN1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001731542243 1182442106 /nfs/dbraw/zinc/44/21/06/1182442106.db2.gz MNPDIMCHGLHJCM-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCN1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001731542243 1182442118 /nfs/dbraw/zinc/44/21/18/1182442118.db2.gz MNPDIMCHGLHJCM-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001731987903 1182716181 /nfs/dbraw/zinc/71/61/81/1182716181.db2.gz OFRUJWNHAOBRRM-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001732221943 1182867615 /nfs/dbraw/zinc/86/76/15/1182867615.db2.gz ILLGOZKQRJXJNB-CVEARBPZSA-N 1 3 293.455 1.759 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001732533458 1182999272 /nfs/dbraw/zinc/99/92/72/1182999272.db2.gz SDKCESBQSSZXAY-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001732574329 1183018162 /nfs/dbraw/zinc/01/81/62/1183018162.db2.gz VYXBNFRNUURGHV-AWEZNQCLSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733040890 1183259012 /nfs/dbraw/zinc/25/90/12/1183259012.db2.gz KOZGYFZNXUILLT-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001733695568 1183497559 /nfs/dbraw/zinc/49/75/59/1183497559.db2.gz ICIIFWVDELPKOQ-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCN1C(C)C ZINC001734299937 1183719031 /nfs/dbraw/zinc/71/90/31/1183719031.db2.gz GKEWAMSPSUJXGX-CVEARBPZSA-N 1 3 293.455 1.872 10 30 CDEEHO C=CC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)N(C)C ZINC001321350690 959738543 /nfs/dbraw/zinc/73/85/43/959738543.db2.gz OYZUMVLNZINCRP-MEJMFZKBSA-N 1 3 253.390 1.021 10 30 CDEEHO C[C@@H](CNC(=[NH2+])NC1CCCCC1)CN1CCN(C)CC1 ZINC000303886803 782553029 /nfs/dbraw/zinc/55/30/29/782553029.db2.gz NZXRUYMHFYDIRR-AWEZNQCLSA-N 1 3 295.475 1.107 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000876881377 782741792 /nfs/dbraw/zinc/74/17/92/782741792.db2.gz GJTQDJFSPZCCNB-RYUDHWBXSA-N 1 3 275.824 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC000876881377 782741801 /nfs/dbraw/zinc/74/18/01/782741801.db2.gz GJTQDJFSPZCCNB-RYUDHWBXSA-N 1 3 275.824 1.693 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000876733009 1165904158 /nfs/dbraw/zinc/90/41/58/1165904158.db2.gz LXCFQAQKWCKMDD-WDEREUQCSA-N 1 3 261.797 1.303 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1(C[NH3+])CCCCC1 ZINC000877205384 780309352 /nfs/dbraw/zinc/30/93/52/780309352.db2.gz GMOJXGGFNPWSBE-JTQLQIEISA-N 1 3 259.781 1.234 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923260535 780724410 /nfs/dbraw/zinc/72/44/10/780724410.db2.gz YBHAZNYJFWIFLI-KGLIPLIRSA-N 1 3 265.401 1.189 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877339241 780959791 /nfs/dbraw/zinc/95/97/91/780959791.db2.gz WBVGIFKXJNFABS-UONOGXRCSA-N 1 3 293.798 1.287 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000877146545 781265852 /nfs/dbraw/zinc/26/58/52/781265852.db2.gz JORCZJORDWUINC-CYBMUJFWSA-N 1 3 299.846 1.933 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000876794455 783498095 /nfs/dbraw/zinc/49/80/95/783498095.db2.gz WDRYYIQQSBQMHK-ZYHUDNBSSA-N 1 3 294.786 1.306 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 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C=C(C)CC[N@H+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001481000451 898455169 /nfs/dbraw/zinc/45/51/69/898455169.db2.gz ZHOJQEYRWKIHFJ-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)CC[N@@H+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001481000451 898455175 /nfs/dbraw/zinc/45/51/75/898455175.db2.gz ZHOJQEYRWKIHFJ-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267578967 898510389 /nfs/dbraw/zinc/51/03/89/898510389.db2.gz ASUQCLUTIUBGFV-KBPBESRZSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267578967 898510398 /nfs/dbraw/zinc/51/03/98/898510398.db2.gz ASUQCLUTIUBGFV-KBPBESRZSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001267596354 898651487 /nfs/dbraw/zinc/65/14/87/898651487.db2.gz YOXUGVWQLQXHFV-CYBMUJFWSA-N 1 3 276.384 1.275 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001267596354 898651496 /nfs/dbraw/zinc/65/14/96/898651496.db2.gz 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CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001271676578 906586858 /nfs/dbraw/zinc/58/68/58/906586858.db2.gz JADCJSPRCKKTSC-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CCC ZINC001482500194 906677573 /nfs/dbraw/zinc/67/75/73/906677573.db2.gz STXNXGPUUBHXOU-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001271785519 906810192 /nfs/dbraw/zinc/81/01/92/906810192.db2.gz VTFXMWYWKNZFJA-UHFFFAOYSA-N 1 3 290.411 1.699 10 30 CDEEHO C=CC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001271785519 906810205 /nfs/dbraw/zinc/81/02/05/906810205.db2.gz VTFXMWYWKNZFJA-UHFFFAOYSA-N 1 3 290.411 1.699 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001482535903 906913084 /nfs/dbraw/zinc/91/30/84/906913084.db2.gz HOEHADFNNAPREK-KGLIPLIRSA-N 1 3 269.433 1.489 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001482678857 908247985 /nfs/dbraw/zinc/24/79/85/908247985.db2.gz MOVMZJGKOFLRHE-CABCVRRESA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCC[NH2+]C[C@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001568034403 1169124633 /nfs/dbraw/zinc/12/46/33/1169124633.db2.gz QQXTWQXJIIIIBW-INIZCTEOSA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001483266640 910758052 /nfs/dbraw/zinc/75/80/52/910758052.db2.gz QRJVDXWNNMWFCD-ZDUSSCGKSA-N 1 3 267.417 1.082 10 30 CDEEHO C=CCC[NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001483492606 911188890 /nfs/dbraw/zinc/18/88/90/911188890.db2.gz HKGWJWPDKZNIOQ-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001483794161 915071870 /nfs/dbraw/zinc/07/18/70/915071870.db2.gz PWKIEUFBGBPOKW-OKILXGFUSA-N 1 3 279.428 1.674 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484523493 915852806 /nfs/dbraw/zinc/85/28/06/915852806.db2.gz AHZPGNOKGUPGBP-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO CN(CCNC(=[NH2+])NC(C)(C)C)C1CCCCC1 ZINC000303894521 935047416 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C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491189238 936871249 /nfs/dbraw/zinc/87/12/49/936871249.db2.gz ZIZZGWQFKOEGIT-HOTGVXAUSA-N 1 3 293.455 1.424 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001488804875 926696698 /nfs/dbraw/zinc/69/66/98/926696698.db2.gz MVXUJCLZYRGYNO-YHUYYLMFSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001488806168 926699553 /nfs/dbraw/zinc/69/95/53/926699553.db2.gz YSPIXIRDSUFOPE-GEEKYZPCSA-N 1 3 293.455 1.920 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001490216360 927034834 /nfs/dbraw/zinc/03/48/34/927034834.db2.gz ORXSXSFAAKOARJ-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001490216360 927034849 /nfs/dbraw/zinc/03/48/49/927034849.db2.gz ORXSXSFAAKOARJ-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001490774363 927340123 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C=CCOCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001283939867 943032557 /nfs/dbraw/zinc/03/25/57/943032557.db2.gz NSIDSMSLUZXUMM-CABCVRRESA-N 1 3 297.443 1.108 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001277662815 943262980 /nfs/dbraw/zinc/26/29/80/943262980.db2.gz OPHXGTBUQSKQIM-CVEARBPZSA-N 1 3 295.471 1.975 10 30 CDEEHO C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001266103498 944683290 /nfs/dbraw/zinc/68/32/90/944683290.db2.gz RNRUHRBISHSXLF-INIZCTEOSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001266103498 944683293 /nfs/dbraw/zinc/68/32/93/944683293.db2.gz RNRUHRBISHSXLF-INIZCTEOSA-N 1 3 291.439 1.417 10 30 CDEEHO C=CC[NH+]1CCC(N(C)C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001266183477 944739073 /nfs/dbraw/zinc/73/90/73/944739073.db2.gz GBUFODKXMDDXPI-HNNXBMFYSA-N 1 3 299.434 1.775 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001278592824 950318738 /nfs/dbraw/zinc/31/87/38/950318738.db2.gz GSHMVNJTJVYJBF-GJZGRUSLSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CC[NH+]1CCC(C)(CNC(=O)CN(C)C2CCC2)CC1 ZINC001278611495 950460911 /nfs/dbraw/zinc/46/09/11/950460911.db2.gz YLPWLORELQZUHH-UHFFFAOYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001480711393 971846901 /nfs/dbraw/zinc/84/69/01/971846901.db2.gz ZGNXKNBLZXGXPN-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCOCC1 ZINC001325005523 953678777 /nfs/dbraw/zinc/67/87/77/953678777.db2.gz MNUYTIXRQGHIEQ-AWEZNQCLSA-N 1 3 297.443 1.014 10 30 CDEEHO CC#CCN1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001327164810 954744871 /nfs/dbraw/zinc/74/48/71/954744871.db2.gz WSEKKNHDHKASAP-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CCN1CCC[C@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001327164810 954744882 /nfs/dbraw/zinc/74/48/82/954744882.db2.gz WSEKKNHDHKASAP-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001328577325 955354075 /nfs/dbraw/zinc/35/40/75/955354075.db2.gz DCBALCJCTKEUMM-MRXNPFEDSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001328577325 955354089 /nfs/dbraw/zinc/35/40/89/955354089.db2.gz DCBALCJCTKEUMM-MRXNPFEDSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001492034757 955619661 /nfs/dbraw/zinc/61/96/61/955619661.db2.gz NCXMIWOSRUTMLU-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001329051437 955653158 /nfs/dbraw/zinc/65/31/58/955653158.db2.gz BQICRFDUYGDDRJ-NEPJUHHUSA-N 1 3 253.390 1.140 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001492164896 955664110 /nfs/dbraw/zinc/66/41/10/955664110.db2.gz ITTKHJWYQCPHAF-JKSUJKDBSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001492164896 955664125 /nfs/dbraw/zinc/66/41/25/955664125.db2.gz ITTKHJWYQCPHAF-JKSUJKDBSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001317348819 956199678 /nfs/dbraw/zinc/19/96/78/956199678.db2.gz CPPQGRINRCSJGK-HUUCEWRRSA-N 1 3 291.439 1.511 10 30 CDEEHO C=C(Cl)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366054815 956534089 /nfs/dbraw/zinc/53/40/89/956534089.db2.gz AZZDMIQHHBCGBJ-CYBMUJFWSA-N 1 3 297.830 1.319 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317069589 957243751 /nfs/dbraw/zinc/24/37/51/957243751.db2.gz ROZMIYBFNRSJNX-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCN1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494842459 972321184 /nfs/dbraw/zinc/32/11/84/972321184.db2.gz QWSZHQSXRSNDRM-CYBMUJFWSA-N 1 3 253.390 1.047 10 30 CDEEHO CC#CC[NH+]1CCC(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001495536938 972530367 /nfs/dbraw/zinc/53/03/67/972530367.db2.gz WBGRSIGYJBBKHD-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001480474344 967951926 /nfs/dbraw/zinc/95/19/26/967951926.db2.gz YPDDODDVSWKOEQ-KGLIPLIRSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC001353591869 968088974 /nfs/dbraw/zinc/08/89/74/968088974.db2.gz WYOHHTPPRVLKQM-CYBMUJFWSA-N 1 3 253.390 1.223 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001522262963 970414951 /nfs/dbraw/zinc/41/49/51/970414951.db2.gz DCSOHPGNSWRSNU-OLZOCXBDSA-N 1 3 253.390 1.400 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001496561299 972972016 /nfs/dbraw/zinc/97/20/16/972972016.db2.gz HGUDFYBNSFOCBM-HNNXBMFYSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)CC[NH2+]CCN(CC)C(=O)C1(N(C)C)CCC1 ZINC001497401489 973333784 /nfs/dbraw/zinc/33/37/84/973333784.db2.gz UAMRSKMNLMQRSR-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C1CCCC1 ZINC001500110495 974376597 /nfs/dbraw/zinc/37/65/97/974376597.db2.gz JDLVAWCSQRZEIU-GJZGRUSLSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001505497677 974895696 /nfs/dbraw/zinc/89/56/96/974895696.db2.gz MIFMVDJZCOECIT-UYSNPLJNSA-N 1 3 291.439 1.367 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001506902777 975252636 /nfs/dbraw/zinc/25/26/36/975252636.db2.gz MSEJKJULOBKAIR-HDJSIYSDSA-N 1 3 290.411 1.711 10 30 CDEEHO C#CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001507446292 975474679 /nfs/dbraw/zinc/47/46/79/975474679.db2.gz SGWJYOBIDWZDQH-CQSZACIVSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001677435145 1174360287 /nfs/dbraw/zinc/36/02/87/1174360287.db2.gz XDYSKZQMAWSXHF-UHFFFAOYSA-N 1 3 293.455 1.873 10 30 CDEEHO CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCN(C2CC2)C1 ZINC000594436317 342899203 /nfs/dbraw/zinc/89/92/03/342899203.db2.gz DBAWWIWMPYCKQS-ZIAGYGMSSA-N 1 3 278.400 1.093 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000594442028 342907759 /nfs/dbraw/zinc/90/77/59/342907759.db2.gz ZSMGOFSBMHEIJG-CABCVRRESA-N 1 3 292.427 1.484 10 30 CDEEHO C=CC[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000629650150 363250488 /nfs/dbraw/zinc/25/04/88/363250488.db2.gz PIDZUWFOMXYAAO-ZIAGYGMSSA-N 1 3 265.401 1.082 10 30 CDEEHO C=CC[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000629650150 363250493 /nfs/dbraw/zinc/25/04/93/363250493.db2.gz PIDZUWFOMXYAAO-ZIAGYGMSSA-N 1 3 265.401 1.082 10 30 CDEEHO C=C(C)[C@@H](CO)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639705197 364457263 /nfs/dbraw/zinc/45/72/63/364457263.db2.gz UJONUDPWELZCPE-OAHLLOKOSA-N 1 3 261.369 1.531 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001664849631 1172919833 /nfs/dbraw/zinc/91/98/33/1172919833.db2.gz SRXAGPLVLRYCRO-LSDHHAIUSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001664849631 1172919834 /nfs/dbraw/zinc/91/98/34/1172919834.db2.gz SRXAGPLVLRYCRO-LSDHHAIUSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CCC[NH2+]1 ZINC000662732588 413399990 /nfs/dbraw/zinc/39/99/90/413399990.db2.gz YHZDJTUTPVGZKL-GZBFAFLISA-N 1 3 265.401 1.284 10 30 CDEEHO C=CC[C@]1(C(=O)NCCN2CC[C@@H](C)C2)CCC[NH2+]1 ZINC000662746682 413420714 /nfs/dbraw/zinc/42/07/14/413420714.db2.gz QQWGKVWRMUWAHT-UKRRQHHQSA-N 1 3 265.401 1.143 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001669399854 1173546956 /nfs/dbraw/zinc/54/69/56/1173546956.db2.gz QRJVDXWNNMWFCD-CYBMUJFWSA-N 1 3 267.417 1.082 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001671570154 1173690106 /nfs/dbraw/zinc/69/01/06/1173690106.db2.gz QXNYCUKTKODYBK-INIZCTEOSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCC[N@@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001673439597 1173856229 /nfs/dbraw/zinc/85/62/29/1173856229.db2.gz YYLDOBRXXJKGQN-UHFFFAOYSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCC[N@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001673439597 1173856234 /nfs/dbraw/zinc/85/62/34/1173856234.db2.gz YYLDOBRXXJKGQN-UHFFFAOYSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCN(CCC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001493298819 1159191645 /nfs/dbraw/zinc/19/16/45/1159191645.db2.gz CZYIUMMHBRIXDY-UHFFFAOYSA-N 1 3 291.439 1.324 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001731615908 1159315627 /nfs/dbraw/zinc/31/56/27/1159315627.db2.gz DDUVBRKCTYYDTK-XJKSGUPXSA-N 1 3 297.418 1.317 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001483585293 1160952529 /nfs/dbraw/zinc/95/25/29/1160952529.db2.gz IWPBXXGYDKWAQW-LSDHHAIUSA-N 1 3 279.428 1.080 10 30 CDEEHO COC[C@H](C)[N@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609578 522592847 /nfs/dbraw/zinc/59/28/47/522592847.db2.gz AOLUQJQLTCEGNY-AWEZNQCLSA-N 1 3 276.380 1.342 10 30 CDEEHO COC[C@H](C)[N@@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609578 522592853 /nfs/dbraw/zinc/59/28/53/522592853.db2.gz AOLUQJQLTCEGNY-AWEZNQCLSA-N 1 3 276.380 1.342 10 30 CDEEHO Cc1cc(C#N)cc(C)c1CN(C)CCOCC[NH3+] ZINC000903473825 626004648 /nfs/dbraw/zinc/00/46/48/626004648.db2.gz AIXQEGMPFDPUPF-UHFFFAOYSA-N 1 3 261.369 1.582 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@@H](C)CC)CC1 ZINC001772517094 1158551775 /nfs/dbraw/zinc/55/17/75/1158551775.db2.gz JHCRPTPRNYDPDK-LSDHHAIUSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CC2CCC2)CC1 ZINC001266994411 1159072785 /nfs/dbraw/zinc/07/27/85/1159072785.db2.gz NAEFLASJGXAWDB-AWEZNQCLSA-N 1 3 291.439 1.226 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001483592224 1160953811 /nfs/dbraw/zinc/95/38/11/1160953811.db2.gz LDSQDXJKKMNRDU-CVEARBPZSA-N 1 3 291.439 1.367 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000876713707 1165898657 /nfs/dbraw/zinc/89/86/57/1165898657.db2.gz NLOGTHRGQLAXSF-LLVKDONJSA-N 1 3 259.781 1.058 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000876723268 1165901658 /nfs/dbraw/zinc/90/16/58/1165901658.db2.gz QZKQIBWXAWCNCE-UHTWSYAYSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000876723268 1165901656 /nfs/dbraw/zinc/90/16/56/1165901656.db2.gz QZKQIBWXAWCNCE-UHTWSYAYSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000876933006 1165942464 /nfs/dbraw/zinc/94/24/64/1165942464.db2.gz BTNYEXOFOQWHPC-NEPJUHHUSA-N 1 3 285.819 1.447 10 30 CDEEHO C=CC[NH+]1CCC(C)(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001569705080 1169971586 /nfs/dbraw/zinc/97/15/86/1169971586.db2.gz JSMPPMOBDUSQML-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001663683810 1172746540 /nfs/dbraw/zinc/74/65/40/1172746540.db2.gz HDHRJPURKDHULK-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001663683810 1172746538 /nfs/dbraw/zinc/74/65/38/1172746538.db2.gz HDHRJPURKDHULK-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CCC[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001664185820 1172821154 /nfs/dbraw/zinc/82/11/54/1172821154.db2.gz DEKBOWHXXKXXMO-MRXNPFEDSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001698861184 1175967729 /nfs/dbraw/zinc/96/77/29/1175967729.db2.gz NAJBJAFGWLGAHY-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@H](F)CC)CC1 ZINC001699432892 1176395428 /nfs/dbraw/zinc/39/54/28/1176395428.db2.gz HBQUMXFILBRTPH-DZGCQCFKSA-N 1 3 297.418 1.174 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001699738357 1176597315 /nfs/dbraw/zinc/59/73/15/1176597315.db2.gz KYSAMSFVNGONTP-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001699855008 1176656581 /nfs/dbraw/zinc/65/65/81/1176656581.db2.gz YGAYZZRRIQICGA-ZBFHGGJFSA-N 1 3 279.428 1.034 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001700391488 1176899025 /nfs/dbraw/zinc/89/90/25/1176899025.db2.gz ANAIGLCRHUTABA-LSDHHAIUSA-N 1 3 293.455 1.757 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001713245873 1178452070 /nfs/dbraw/zinc/45/20/70/1178452070.db2.gz JNGPQMGRUYZLKB-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001714075714 1178961139 /nfs/dbraw/zinc/96/11/39/1178961139.db2.gz ZHBWULRQJPGJJR-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001716784047 1180413932 /nfs/dbraw/zinc/41/39/32/1180413932.db2.gz HIFJDFCTHVDHDX-CABCVRRESA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001716901665 1180458989 /nfs/dbraw/zinc/45/89/89/1180458989.db2.gz NDZMOYBCZVLKFZ-HOCLYGCPSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001716901665 1180458994 /nfs/dbraw/zinc/45/89/94/1180458994.db2.gz NDZMOYBCZVLKFZ-HOCLYGCPSA-N 1 3 279.428 1.342 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CCC1 ZINC001717152266 1180550167 /nfs/dbraw/zinc/55/01/67/1180550167.db2.gz VKFALYHZCKBYPW-AWEZNQCLSA-N 1 3 277.412 1.123 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001724696584 1181726361 /nfs/dbraw/zinc/72/63/61/1181726361.db2.gz HIXZOHOUQDDERP-GJZGRUSLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)CC[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001725071887 1181845549 /nfs/dbraw/zinc/84/55/49/1181845549.db2.gz PPDGAABTVZUFAF-QQFBHYJXSA-N 1 3 293.455 1.779 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001731405462 1182367398 /nfs/dbraw/zinc/36/73/98/1182367398.db2.gz KQONRAUGZCANBT-GDBMZVCRSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001731616619 1182481125 /nfs/dbraw/zinc/48/11/25/1182481125.db2.gz GVGLRIOQTGGJJF-CYBMUJFWSA-N 1 3 267.417 1.082 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001731634898 1182493617 /nfs/dbraw/zinc/49/36/17/1182493617.db2.gz SAHUKIITNSGNDV-VXGBXAGGSA-N 1 3 278.400 1.710 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001731853152 1182629238 /nfs/dbraw/zinc/62/92/38/1182629238.db2.gz SWUMVGZNFFZFID-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001731853152 1182629242 /nfs/dbraw/zinc/62/92/42/1182629242.db2.gz SWUMVGZNFFZFID-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCCN1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001732176577 1182833207 /nfs/dbraw/zinc/83/32/07/1182833207.db2.gz VHNSUSXDBMASDG-MRXNPFEDSA-N 1 3 291.439 1.418 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001732594656 1183035877 /nfs/dbraw/zinc/03/58/77/1183035877.db2.gz LHFJTGLSUCUQQC-UHFFFAOYSA-N 1 3 267.417 1.295 10 30 CDEEHO C=C(C)C[NH2+]CCN(CC)C(=O)CN1CCC(C)CC1 ZINC001732801287 1183130282 /nfs/dbraw/zinc/13/02/82/1183130282.db2.gz ABRNPIGGRLOBHO-UHFFFAOYSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001734474520 1183793332 /nfs/dbraw/zinc/79/33/32/1183793332.db2.gz HSFDGOZVYWUFBZ-GJZGRUSLSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001691708932 1164428049 /nfs/dbraw/zinc/42/80/49/1164428049.db2.gz JOVPKSYYAPGCFX-OKILXGFUSA-N 1 3 279.428 1.531 10 30 CDEEHO C[N@H+](C[C@H](O)CN[C@@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240729 1165400978 /nfs/dbraw/zinc/40/09/78/1165400978.db2.gz ZMEAUECJRIQOHN-NVXWUHKLSA-N 1 3 285.391 1.070 10 30 CDEEHO C[N@@H+](C[C@H](O)CN[C@@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240729 1165400983 /nfs/dbraw/zinc/40/09/83/1165400983.db2.gz ZMEAUECJRIQOHN-NVXWUHKLSA-N 1 3 285.391 1.070 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000876733178 1165902765 /nfs/dbraw/zinc/90/27/65/1165902765.db2.gz QTYSUGFJLCMAQG-ZIAGYGMSSA-N 1 3 299.846 1.933 10 30 CDEEHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001565916754 1168201000 /nfs/dbraw/zinc/20/10/00/1168201000.db2.gz OOCKJUGVUAWYJJ-UONOGXRCSA-N 1 3 290.411 1.711 10 30 CDEEHO C=CCN(CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001567448403 1168770808 /nfs/dbraw/zinc/77/08/08/1168770808.db2.gz NSCWQVRAOXFTSH-UHFFFAOYSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001267198914 897125685 /nfs/dbraw/zinc/12/56/85/897125685.db2.gz CZQPNGNSGPNQJF-MRXNPFEDSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001267198914 897125693 /nfs/dbraw/zinc/12/56/93/897125693.db2.gz CZQPNGNSGPNQJF-MRXNPFEDSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267589937 898601809 /nfs/dbraw/zinc/60/18/09/898601809.db2.gz ROEGKHPWPZALSH-HZPDHXFCSA-N 1 3 293.455 1.376 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267589937 898601817 /nfs/dbraw/zinc/60/18/17/898601817.db2.gz ROEGKHPWPZALSH-HZPDHXFCSA-N 1 3 293.455 1.376 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001481529719 901083377 /nfs/dbraw/zinc/08/33/77/901083377.db2.gz XMAFFGLTQCRXHG-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001481529719 901083384 /nfs/dbraw/zinc/08/33/84/901083384.db2.gz XMAFFGLTQCRXHG-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001567743285 1168946255 /nfs/dbraw/zinc/94/62/55/1168946255.db2.gz WPPGMAAXVDLXRU-OAHLLOKOSA-N 1 3 279.428 1.132 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001567743285 1168946271 /nfs/dbraw/zinc/94/62/71/1168946271.db2.gz WPPGMAAXVDLXRU-OAHLLOKOSA-N 1 3 279.428 1.132 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1CCC)C(C)C ZINC001268211819 901581824 /nfs/dbraw/zinc/58/18/24/901581824.db2.gz HZACXBGWJRAWLJ-CVEARBPZSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001268689434 902970042 /nfs/dbraw/zinc/97/00/42/902970042.db2.gz XIIFFTANLZNVCS-GJZGRUSLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001268689234 902971771 /nfs/dbraw/zinc/97/17/71/902971771.db2.gz SWDRDXYQXVQZJS-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001269597143 903958605 /nfs/dbraw/zinc/95/86/05/903958605.db2.gz BFCNREHVCPXDHR-CABCVRRESA-N 1 3 279.428 1.580 10 30 CDEEHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001270829850 905111393 /nfs/dbraw/zinc/11/13/93/905111393.db2.gz NKRPSMKEVMHSAT-WBVHZDCISA-N 1 3 295.471 1.977 10 30 CDEEHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(C)N1CCCC1 ZINC001271284914 906224335 /nfs/dbraw/zinc/22/43/35/906224335.db2.gz AUWJVQFLLCKPHY-HNNXBMFYSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001271778141 906803355 /nfs/dbraw/zinc/80/33/55/906803355.db2.gz FEFYVTXSZULFDZ-MRXNPFEDSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001271778141 906803373 /nfs/dbraw/zinc/80/33/73/906803373.db2.gz FEFYVTXSZULFDZ-MRXNPFEDSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH2+]C1(C)CCN(C(=O)CN(C)CCC)CC1 ZINC001484927199 916274290 /nfs/dbraw/zinc/27/42/90/916274290.db2.gz OKMKTIZZJAGIJO-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCN1C)C(C)C ZINC001485433749 916965237 /nfs/dbraw/zinc/96/52/37/916965237.db2.gz BUODKESNPVZBMO-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486133534 920737906 /nfs/dbraw/zinc/73/79/06/920737906.db2.gz DIGLIFBVABYXLV-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486138505 920746198 /nfs/dbraw/zinc/74/61/98/920746198.db2.gz YBOKHDRXNLJJPM-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001568321012 1169242457 /nfs/dbraw/zinc/24/24/57/1169242457.db2.gz SQFGEJYIDWQKPS-ZDUSSCGKSA-N 1 3 255.406 1.339 10 30 CDEEHO CC#CCN[C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001491539491 936931456 /nfs/dbraw/zinc/93/14/56/936931456.db2.gz SDWDCNZWOIKJNF-HNNXBMFYSA-N 1 3 293.455 1.759 10 30 CDEEHO CC#CCN[C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001491539491 936931457 /nfs/dbraw/zinc/93/14/57/936931457.db2.gz SDWDCNZWOIKJNF-HNNXBMFYSA-N 1 3 293.455 1.759 10 30 CDEEHO C#CCN(C)CCCNC(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000854092716 928154662 /nfs/dbraw/zinc/15/46/62/928154662.db2.gz RCIXCJJBSPMINH-UHFFFAOYSA-N 1 3 296.459 1.361 10 30 CDEEHO C#CCN(C)CCCNC(=O)NC(C)(C)C[N@H+](C)CCC ZINC000854092716 928154669 /nfs/dbraw/zinc/15/46/69/928154669.db2.gz RCIXCJJBSPMINH-UHFFFAOYSA-N 1 3 296.459 1.361 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568497539 1169331007 /nfs/dbraw/zinc/33/10/07/1169331007.db2.gz HZVTUZSVADFSFI-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001279182853 931133737 /nfs/dbraw/zinc/13/37/37/931133737.db2.gz MIKDXCQWYOQZBJ-LSDHHAIUSA-N 1 3 279.428 1.036 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001276468628 939767826 /nfs/dbraw/zinc/76/78/26/939767826.db2.gz LNRPOOGQVMVWIU-CQSZACIVSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001281475112 942581982 /nfs/dbraw/zinc/58/19/82/942581982.db2.gz GLEOWRVFNRZBET-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](F)CN(CC)CC ZINC001281939421 942634006 /nfs/dbraw/zinc/63/40/06/942634006.db2.gz FZAHHTPESDIHCD-LSDHHAIUSA-N 1 3 299.434 1.775 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](F)CN(CC)CC ZINC001281939421 942634010 /nfs/dbraw/zinc/63/40/10/942634010.db2.gz FZAHHTPESDIHCD-LSDHHAIUSA-N 1 3 299.434 1.775 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001263250973 943807229 /nfs/dbraw/zinc/80/72/29/943807229.db2.gz WJWYZUFWCMJDRV-QWRGUYRKSA-N 1 3 259.781 1.105 10 30 CDEEHO C=CCCC[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001265822985 944526572 /nfs/dbraw/zinc/52/65/72/944526572.db2.gz BNMZDDSMARVGIA-ZIAGYGMSSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCCN1CC ZINC001479815706 971433892 /nfs/dbraw/zinc/43/38/92/971433892.db2.gz LMSPPAMIEFZPIW-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCCN1CC ZINC001479815706 971433895 /nfs/dbraw/zinc/43/38/95/971433895.db2.gz LMSPPAMIEFZPIW-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCN(C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001278926209 948265061 /nfs/dbraw/zinc/26/50/61/948265061.db2.gz DCMXDGIBEYIPJG-UHFFFAOYSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480116988 971584213 /nfs/dbraw/zinc/58/42/13/971584213.db2.gz JWBJEMRUTJTLJE-AWEZNQCLSA-N 1 3 290.411 1.889 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001326420068 954372238 /nfs/dbraw/zinc/37/22/38/954372238.db2.gz YAMAHOUGILOKTC-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001328258299 955244621 /nfs/dbraw/zinc/24/46/21/955244621.db2.gz OKYAJYGRGPGVDD-HUUCEWRRSA-N 1 3 291.439 1.463 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001328258299 955244628 /nfs/dbraw/zinc/24/46/28/955244628.db2.gz OKYAJYGRGPGVDD-HUUCEWRRSA-N 1 3 291.439 1.463 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001329102391 955686052 /nfs/dbraw/zinc/68/60/52/955686052.db2.gz DDEOKDMCYKFSLV-CHWSQXEVSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317154342 956986433 /nfs/dbraw/zinc/98/64/33/956986433.db2.gz VUCKIMNWNWZABU-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001332205578 957476366 /nfs/dbraw/zinc/47/63/66/957476366.db2.gz KVCGXHYVWRAASI-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001332205578 957476370 /nfs/dbraw/zinc/47/63/70/957476370.db2.gz KVCGXHYVWRAASI-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001317808943 957672114 /nfs/dbraw/zinc/67/21/14/957672114.db2.gz JMUMNNMKSCIJAH-AWEZNQCLSA-N 1 3 288.395 1.112 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001317808943 957672120 /nfs/dbraw/zinc/67/21/20/957672120.db2.gz JMUMNNMKSCIJAH-AWEZNQCLSA-N 1 3 288.395 1.112 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C ZINC001332881131 957914264 /nfs/dbraw/zinc/91/42/64/957914264.db2.gz GXUWRQKPECJPSC-KGLIPLIRSA-N 1 3 281.444 1.470 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001318482807 958125803 /nfs/dbraw/zinc/12/58/03/958125803.db2.gz LVUOHRPVGPHRMH-MRXNPFEDSA-N 1 3 293.455 1.827 10 30 CDEEHO CC#CC[NH2+]C[C@@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001318698715 958235159 /nfs/dbraw/zinc/23/51/59/958235159.db2.gz OTOJOGWMHQMPOZ-QGZVFWFLSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001319777072 958723766 /nfs/dbraw/zinc/72/37/66/958723766.db2.gz DUPKNPHWMJWMEQ-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl)CC1 ZINC001322086723 960078133 /nfs/dbraw/zinc/07/81/33/960078133.db2.gz BJWOTLMFQWPHSU-IRBQFCFKSA-N 1 3 297.830 1.178 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001447806430 966881841 /nfs/dbraw/zinc/88/18/41/966881841.db2.gz QSUWTDOLTTXUAR-UHFFFAOYSA-N 1 3 273.808 1.175 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849044250 969429983 /nfs/dbraw/zinc/42/99/83/969429983.db2.gz CBZLHRCKJHIONY-MJBXVCDLSA-N 1 3 280.416 1.176 10 30 CDEEHO C=CC[C@@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462157224 969670348 /nfs/dbraw/zinc/67/03/48/969670348.db2.gz KHMDUAKGCVWQHC-PCKAHOCUSA-N 1 3 282.428 1.547 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001501638153 974615272 /nfs/dbraw/zinc/61/52/72/974615272.db2.gz SVEWUFLCZREMGF-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001507451387 975474863 /nfs/dbraw/zinc/47/48/63/975474863.db2.gz QMGWFPILQDENLC-CABCVRRESA-N 1 3 295.471 1.975 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001507950438 975571480 /nfs/dbraw/zinc/57/14/80/975571480.db2.gz FHLNMIGQYFCDEN-ZDUSSCGKSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001379024831 975603590 /nfs/dbraw/zinc/60/35/90/975603590.db2.gz NGKCUIWHZPYNBN-ZDUSSCGKSA-N 1 3 287.835 1.517 10 30 CDEEHO CC#CCN1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001508167197 975624665 /nfs/dbraw/zinc/62/46/65/975624665.db2.gz YVXGDHTVFZYMCF-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001674811466 1174011659 /nfs/dbraw/zinc/01/16/59/1174011659.db2.gz BVZLQHJCDYSHFN-UHFFFAOYSA-N 1 3 293.455 1.709 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001570653243 1170224639 /nfs/dbraw/zinc/22/46/39/1170224639.db2.gz OSZQCALZRWXDIV-CHWSQXEVSA-N 1 3 255.406 1.386 10 30 CDEEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594441671 342907418 /nfs/dbraw/zinc/90/74/18/342907418.db2.gz UMANQRIGPZVIHA-KBPBESRZSA-N 1 3 280.416 1.388 10 30 CDEEHO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594441671 342907419 /nfs/dbraw/zinc/90/74/19/342907419.db2.gz UMANQRIGPZVIHA-KBPBESRZSA-N 1 3 280.416 1.388 10 30 CDEEHO CC1CC[NH+](CCCNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594441767 342907837 /nfs/dbraw/zinc/90/78/37/342907837.db2.gz WPPIFOWGVBRYPM-HNNXBMFYSA-N 1 3 294.443 1.636 10 30 CDEEHO CC(C)[NH+]1CCC(NC[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600716540 342244248 /nfs/dbraw/zinc/24/42/48/342244248.db2.gz YPTYNJYDFUXAFP-AWEZNQCLSA-N 1 3 265.401 1.504 10 30 CDEEHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528396923 367824265 /nfs/dbraw/zinc/82/42/65/367824265.db2.gz QDNOVWAOBQVKQL-KGLIPLIRSA-N 1 3 265.401 1.315 10 30 CDEEHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528396923 367824273 /nfs/dbraw/zinc/82/42/73/367824273.db2.gz QDNOVWAOBQVKQL-KGLIPLIRSA-N 1 3 265.401 1.315 10 30 CDEEHO C#CCC[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001664467117 1172857411 /nfs/dbraw/zinc/85/74/11/1172857411.db2.gz FJUMPFXOQNZGSA-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[C@H](C)[NH+]1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001665362578 1172986953 /nfs/dbraw/zinc/98/69/53/1172986953.db2.gz FBMANRJXOGERTH-AWEZNQCLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659450070 413836823 /nfs/dbraw/zinc/83/68/23/413836823.db2.gz GJIVWNCFVXKKQL-UHFFFAOYSA-N 1 3 292.427 1.160 10 30 CDEEHO CN1CCCC[C@@H]1CNC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000044566214 175208561 /nfs/dbraw/zinc/20/85/61/175208561.db2.gz YLGHUBHZMDRGMD-MRXNPFEDSA-N 1 3 285.391 1.211 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001667634031 1173302568 /nfs/dbraw/zinc/30/25/68/1173302568.db2.gz FCNQXLMWDVVZKV-LSDHHAIUSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001667634031 1173302588 /nfs/dbraw/zinc/30/25/88/1173302588.db2.gz FCNQXLMWDVVZKV-LSDHHAIUSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001668062063 1173364582 /nfs/dbraw/zinc/36/45/82/1173364582.db2.gz ZBLRLXCDJNUCRN-KGLIPLIRSA-N 1 3 267.417 1.530 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001668215209 1173382739 /nfs/dbraw/zinc/38/27/39/1173382739.db2.gz YFSBCOKQKUWHEF-ZIAGYGMSSA-N 1 3 267.417 1.389 10 30 CDEEHO CC(C)CN1CCCC[C@H]1CNC1=[NH+]CCN1C ZINC000262658992 330024976 /nfs/dbraw/zinc/02/49/76/330024976.db2.gz MKSXABSMLCJBHK-ZDUSSCGKSA-N 1 3 252.406 1.388 10 30 CDEEHO CC(C)C[N@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049608983 519708803 /nfs/dbraw/zinc/70/88/03/519708803.db2.gz VZUXUOHTXYGFDM-UHFFFAOYSA-N 1 3 260.381 1.963 10 30 CDEEHO CC(C)C[N@@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049608983 519708807 /nfs/dbraw/zinc/70/88/07/519708807.db2.gz VZUXUOHTXYGFDM-UHFFFAOYSA-N 1 3 260.381 1.963 10 30 CDEEHO CC(C)CN1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000055080701 519727051 /nfs/dbraw/zinc/72/70/51/519727051.db2.gz RMDWUULOJGAYFL-UHFFFAOYSA-N 1 3 291.464 1.832 10 30 CDEEHO C=CCC[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001715518527 1179695876 /nfs/dbraw/zinc/69/58/76/1179695876.db2.gz DIZAZTZASKUWJE-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN(CC=C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052376556 518768493 /nfs/dbraw/zinc/76/84/93/518768493.db2.gz NDFDVVDVZWPJDG-UHFFFAOYSA-N 1 3 277.416 1.840 10 30 CDEEHO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccccc1C#CCN ZINC000049232188 519793468 /nfs/dbraw/zinc/79/34/68/519793468.db2.gz HTYMYSKCAHNYOV-MRXNPFEDSA-N 1 3 287.407 1.313 10 30 CDEEHO NCC#Cc1ccccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000049608321 527153104 /nfs/dbraw/zinc/15/31/04/527153104.db2.gz NTLGJOZWDIXCBU-CQSZACIVSA-N 1 3 258.365 1.201 10 30 CDEEHO NCC#Cc1ccccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000049608321 527153106 /nfs/dbraw/zinc/15/31/06/527153106.db2.gz NTLGJOZWDIXCBU-CQSZACIVSA-N 1 3 258.365 1.201 10 30 CDEEHO CN1CC[C@H](C[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000250636836 536420582 /nfs/dbraw/zinc/42/05/82/536420582.db2.gz SFFSEPVDDJCZIN-GOEBONIOSA-N 1 3 273.380 1.475 10 30 CDEEHO CN1CC[C@H](C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000250636836 536420585 /nfs/dbraw/zinc/42/05/85/536420585.db2.gz SFFSEPVDDJCZIN-GOEBONIOSA-N 1 3 273.380 1.475 10 30 CDEEHO N#CCN1CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925609438 617553727 /nfs/dbraw/zinc/55/37/27/617553727.db2.gz UCHDVLHQWVQAPD-IAGOWNOFSA-N 1 3 290.455 1.732 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000899941204 622562595 /nfs/dbraw/zinc/56/25/95/622562595.db2.gz BKSYBCHBUCSCQK-MRXNPFEDSA-N 1 3 289.423 1.913 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001691384527 1159045160 /nfs/dbraw/zinc/04/51/60/1159045160.db2.gz VCBIGIDJYJIPFH-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCN(CC)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691023723 1158538863 /nfs/dbraw/zinc/53/88/63/1158538863.db2.gz OZTMNAAQBVSTEC-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN(CC)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001691023723 1158538864 /nfs/dbraw/zinc/53/88/64/1158538864.db2.gz OZTMNAAQBVSTEC-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000876717212 1165899753 /nfs/dbraw/zinc/89/97/53/1165899753.db2.gz ACTLNHJPFOFBDQ-ZDUSSCGKSA-N 1 3 287.835 1.788 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001646817461 1168158173 /nfs/dbraw/zinc/15/81/73/1168158173.db2.gz JNSYWZWCWULLJZ-LLVKDONJSA-N 1 3 271.792 1.105 10 30 CDEEHO C#CCC[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001566992395 1168489375 /nfs/dbraw/zinc/48/93/75/1168489375.db2.gz UYOKTPLCDVGPCZ-UHFFFAOYSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CC[N@H+](CC)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001567343637 1168693084 /nfs/dbraw/zinc/69/30/84/1168693084.db2.gz BEAAOSBNJBVIAS-CYBMUJFWSA-N 1 3 255.406 1.197 10 30 CDEEHO C=CC[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001567343637 1168693088 /nfs/dbraw/zinc/69/30/88/1168693088.db2.gz BEAAOSBNJBVIAS-CYBMUJFWSA-N 1 3 255.406 1.197 10 30 CDEEHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001568113589 1169138721 /nfs/dbraw/zinc/13/87/21/1169138721.db2.gz OXBQHNWECLVSNA-RBSFLKMASA-N 1 3 279.428 1.223 10 30 CDEEHO C#CCC[NH2+][C@H](CCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001571351278 1170379180 /nfs/dbraw/zinc/37/91/80/1170379180.db2.gz NPWXVSCQZBFANV-HZPDHXFCSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCN1CCC(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC001583263215 1172749989 /nfs/dbraw/zinc/74/99/89/1172749989.db2.gz UPFJFNNKFCUAGI-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN1CCC(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC001583263215 1172749995 /nfs/dbraw/zinc/74/99/95/1172749995.db2.gz UPFJFNNKFCUAGI-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001676854441 1174279754 /nfs/dbraw/zinc/27/97/54/1174279754.db2.gz UBQZOVNTANJVLK-ARFHVFGLSA-N 1 3 291.439 1.177 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001699403422 1176367843 /nfs/dbraw/zinc/36/78/43/1176367843.db2.gz XIEHXLNMZLGGEJ-UONOGXRCSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CCNC1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001699657140 1176554251 /nfs/dbraw/zinc/55/42/51/1176554251.db2.gz FVEZYCLPNOPEQV-UHFFFAOYSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCNC1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001699657140 1176554257 /nfs/dbraw/zinc/55/42/57/1176554257.db2.gz FVEZYCLPNOPEQV-UHFFFAOYSA-N 1 3 291.439 1.511 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713052722 1178332127 /nfs/dbraw/zinc/33/21/27/1178332127.db2.gz IRIXUWXFSOWUMB-HNNXBMFYSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001713052722 1178332135 /nfs/dbraw/zinc/33/21/35/1178332135.db2.gz IRIXUWXFSOWUMB-HNNXBMFYSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001713734139 1178728956 /nfs/dbraw/zinc/72/89/56/1178728956.db2.gz CSFMPUGULNDYSA-JKSUJKDBSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001713734139 1178728958 /nfs/dbraw/zinc/72/89/58/1178728958.db2.gz CSFMPUGULNDYSA-JKSUJKDBSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714050085 1178946221 /nfs/dbraw/zinc/94/62/21/1178946221.db2.gz MYTYSUAKVUUUFI-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714050085 1178946228 /nfs/dbraw/zinc/94/62/28/1178946228.db2.gz MYTYSUAKVUUUFI-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001714153083 1178993255 /nfs/dbraw/zinc/99/32/55/1178993255.db2.gz YKWFXKAWCSVKLQ-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001714153083 1178993258 /nfs/dbraw/zinc/99/32/58/1178993258.db2.gz YKWFXKAWCSVKLQ-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001714261395 1179052495 /nfs/dbraw/zinc/05/24/95/1179052495.db2.gz HOVLWPBOYAXNIU-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001715481235 1179677662 /nfs/dbraw/zinc/67/76/62/1179677662.db2.gz YVMYFZMWHDLDRF-DZGCQCFKSA-N 1 3 290.411 1.745 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001715518527 1179695873 /nfs/dbraw/zinc/69/58/73/1179695873.db2.gz DIZAZTZASKUWJE-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CCCC)CC1 ZINC001716466341 1180226468 /nfs/dbraw/zinc/22/64/68/1180226468.db2.gz XIHOHONFYATSLT-AWEZNQCLSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001716519926 1180263902 /nfs/dbraw/zinc/26/39/02/1180263902.db2.gz IEFJSIUIWKWHJB-JKSUJKDBSA-N 1 3 293.455 1.616 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001717373587 1180636487 /nfs/dbraw/zinc/63/64/87/1180636487.db2.gz INRXZIKZOAFCNM-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001717649540 1180773071 /nfs/dbraw/zinc/77/30/71/1180773071.db2.gz ORFZGWFFPXRRMK-BZUAXINKSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCN1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001725612528 1182072158 /nfs/dbraw/zinc/07/21/58/1182072158.db2.gz XWJQSYGLVGJBLZ-PBHICJAKSA-N 1 3 291.439 1.627 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001731530726 1182437766 /nfs/dbraw/zinc/43/77/66/1182437766.db2.gz LNKPASNHBJYTIJ-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001731770832 1182565890 /nfs/dbraw/zinc/56/58/90/1182565890.db2.gz CRWZJCYYRSZVGT-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001731770832 1182565895 /nfs/dbraw/zinc/56/58/95/1182565895.db2.gz CRWZJCYYRSZVGT-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)CN(CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001731878804 1182648053 /nfs/dbraw/zinc/64/80/53/1182648053.db2.gz ZVTNTTUWQZJLGL-UHFFFAOYSA-N 1 3 291.439 1.772 10 30 CDEEHO C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001732049354 1182740881 /nfs/dbraw/zinc/74/08/81/1182740881.db2.gz QIXMULFILUVUBJ-CABCVRRESA-N 1 3 297.418 1.128 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001732049354 1182740886 /nfs/dbraw/zinc/74/08/86/1182740886.db2.gz QIXMULFILUVUBJ-CABCVRRESA-N 1 3 297.418 1.128 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001733347949 1183405430 /nfs/dbraw/zinc/40/54/30/1183405430.db2.gz FEVLPMFPZZOGNQ-KGLIPLIRSA-N 1 3 265.401 1.095 10 30 CDEEHO CC#CC[NH2+]CCC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001734242545 1183702033 /nfs/dbraw/zinc/70/20/33/1183702033.db2.gz WRGRBCCSOSMING-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000876878132 785323616 /nfs/dbraw/zinc/32/36/16/785323616.db2.gz RVVZLAFQMCXMKO-BPCQOVAHSA-N 1 3 287.835 1.693 10 30 CDEEHO CC(C)(C)[NH+]1CCC(NC[C@H](O)CC2(C#N)CC2)CC1 ZINC000863551016 785850573 /nfs/dbraw/zinc/85/05/73/785850573.db2.gz HOEJUIPCEHOYRK-CQSZACIVSA-N 1 3 279.428 1.894 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000876541906 785936442 /nfs/dbraw/zinc/93/64/42/785936442.db2.gz LSPUNASTSCQGDA-QWRGUYRKSA-N 1 3 261.797 1.288 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000876883159 786343429 /nfs/dbraw/zinc/34/34/29/786343429.db2.gz ARCHPQNMPVZLAH-NWDGAFQWSA-N 1 3 273.808 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000876844415 787371145 /nfs/dbraw/zinc/37/11/45/787371145.db2.gz ZTLQGRLTHRELBT-AWEZNQCLSA-N 1 3 295.814 1.486 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000876827128 787875771 /nfs/dbraw/zinc/87/57/71/787875771.db2.gz LOTVOQCEOAHEQY-CYBMUJFWSA-N 1 3 279.771 1.376 10 30 CDEEHO C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315439 788864569 /nfs/dbraw/zinc/86/45/69/788864569.db2.gz MHWIDZSIQQFVQY-HOCLYGCPSA-N 1 3 277.412 1.459 10 30 CDEEHO C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315439 788864570 /nfs/dbraw/zinc/86/45/70/788864570.db2.gz MHWIDZSIQQFVQY-HOCLYGCPSA-N 1 3 277.412 1.459 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566871613 1168453487 /nfs/dbraw/zinc/45/34/87/1168453487.db2.gz HEWRKYKLCDXEIS-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566871613 1168453490 /nfs/dbraw/zinc/45/34/90/1168453490.db2.gz HEWRKYKLCDXEIS-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001266562183 895372861 /nfs/dbraw/zinc/37/28/61/895372861.db2.gz POPAUSSXSPDNSF-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@H+](CCNC(=O)CN(C)C(C)C)C1CC1 ZINC001266622130 895613364 /nfs/dbraw/zinc/61/33/64/895613364.db2.gz QXPJLNQQMXGYLH-UHFFFAOYSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[N@@H+](CCNC(=O)CN(C)C(C)C)C1CC1 ZINC001266622130 895613359 /nfs/dbraw/zinc/61/33/59/895613359.db2.gz QXPJLNQQMXGYLH-UHFFFAOYSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001266986862 896501934 /nfs/dbraw/zinc/50/19/34/896501934.db2.gz DHYAGNDNACMXLP-QWHCGFSZSA-N 1 3 255.406 1.243 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001267557482 898353583 /nfs/dbraw/zinc/35/35/83/898353583.db2.gz GBCWVAYKLOXGFI-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001267557482 898353599 /nfs/dbraw/zinc/35/35/99/898353599.db2.gz GBCWVAYKLOXGFI-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268002666 900249495 /nfs/dbraw/zinc/24/94/95/900249495.db2.gz BZVOIVHVWUEMJO-CZUORRHYSA-N 1 3 297.418 1.174 10 30 CDEEHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](CC)N(C)C ZINC001268112520 901319240 /nfs/dbraw/zinc/31/92/40/901319240.db2.gz VXIHGICXPLIIDJ-KGLIPLIRSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001268142666 901397895 /nfs/dbraw/zinc/39/78/95/901397895.db2.gz QKFGYINUAPSGNY-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001270193780 904430295 /nfs/dbraw/zinc/43/02/95/904430295.db2.gz MIOXBXZDRNVAAT-QGZVFWFLSA-N 1 3 299.418 1.576 10 30 CDEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC)CC1 ZINC001270358055 904559480 /nfs/dbraw/zinc/55/94/80/904559480.db2.gz DFHDFCCTXIQIOK-OAHLLOKOSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)C(C)C ZINC001271836526 906878717 /nfs/dbraw/zinc/87/87/17/906878717.db2.gz AZJMYWBZXXRQIS-CVEARBPZSA-N 1 3 293.455 1.613 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001483135556 909779462 /nfs/dbraw/zinc/77/94/62/909779462.db2.gz IWTZUQNNCOXFQX-ZIAGYGMSSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001483412639 911082489 /nfs/dbraw/zinc/08/24/89/911082489.db2.gz YXKYJYXPQBNLPH-GFCCVEGCSA-N 1 3 278.400 1.663 10 30 CDEEHO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001483412639 911082508 /nfs/dbraw/zinc/08/25/08/911082508.db2.gz YXKYJYXPQBNLPH-GFCCVEGCSA-N 1 3 278.400 1.663 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001568194588 1169170323 /nfs/dbraw/zinc/17/03/23/1169170323.db2.gz ZYGSLJCIZKVIGZ-HUUCEWRRSA-N 1 3 281.444 1.636 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001490983726 936837332 /nfs/dbraw/zinc/83/73/32/936837332.db2.gz PGAYAAYIXOIAKM-HZPDHXFCSA-N 1 3 291.439 1.273 10 30 CDEEHO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001490983726 936837335 /nfs/dbraw/zinc/83/73/35/936837335.db2.gz PGAYAAYIXOIAKM-HZPDHXFCSA-N 1 3 291.439 1.273 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001568417242 1169278886 /nfs/dbraw/zinc/27/88/86/1169278886.db2.gz UMXNHLYVRHVNLZ-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC001118383421 937622015 /nfs/dbraw/zinc/62/20/15/937622015.db2.gz GVQJENSTLLBAED-MGPQQGTHSA-N 1 3 280.416 1.387 10 30 CDEEHO C#CC[N@H+](C)CCCNCc1cccn1C(F)F ZINC001206047235 939970943 /nfs/dbraw/zinc/97/09/43/939970943.db2.gz FDJPZPFDGNWFHX-UHFFFAOYSA-N 1 3 255.312 1.928 10 30 CDEEHO C#CC[N@@H+](C)CCCNCc1cccn1C(F)F ZINC001206047235 939970944 /nfs/dbraw/zinc/97/09/44/939970944.db2.gz FDJPZPFDGNWFHX-UHFFFAOYSA-N 1 3 255.312 1.928 10 30 CDEEHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001276737921 940932769 /nfs/dbraw/zinc/93/27/69/940932769.db2.gz NAKGQKFRMPSJQO-LVQVYYBASA-N 1 3 293.455 1.443 10 30 CDEEHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001276737921 940932771 /nfs/dbraw/zinc/93/27/71/940932771.db2.gz NAKGQKFRMPSJQO-LVQVYYBASA-N 1 3 293.455 1.443 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC)CC1 ZINC001282497984 942723771 /nfs/dbraw/zinc/72/37/71/942723771.db2.gz UTSSFTNFAIILCH-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC)CC1 ZINC001282497984 942723773 /nfs/dbraw/zinc/72/37/73/942723773.db2.gz UTSSFTNFAIILCH-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001283679603 942965566 /nfs/dbraw/zinc/96/55/66/942965566.db2.gz QSFJGWJEYBIVOZ-CZUORRHYSA-N 1 3 299.434 1.821 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001284026000 943052870 /nfs/dbraw/zinc/05/28/70/943052870.db2.gz NTIGUFRRJSMLKL-STQMWFEESA-N 1 3 253.390 1.093 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001265673514 944465828 /nfs/dbraw/zinc/46/58/28/944465828.db2.gz HIAWCDUSEURFOH-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001265682775 944468362 /nfs/dbraw/zinc/46/83/62/944468362.db2.gz YESYHEXTCALKGP-JKSUJKDBSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001266117708 944693113 /nfs/dbraw/zinc/69/31/13/944693113.db2.gz ZCHJSNVNCJBOMJ-HNNXBMFYSA-N 1 3 289.423 1.028 10 30 CDEEHO C=CC[NH+]1CCC(N(C)C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001266183478 944739029 /nfs/dbraw/zinc/73/90/29/944739029.db2.gz GBUFODKXMDDXPI-OAHLLOKOSA-N 1 3 299.434 1.775 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001278612828 950457739 /nfs/dbraw/zinc/45/77/39/950457739.db2.gz GTUSEHUIWZAVMW-HUUCEWRRSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001325597229 953979492 /nfs/dbraw/zinc/97/94/92/953979492.db2.gz CBOSALXAZCCATN-LSDHHAIUSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001327258882 954796866 /nfs/dbraw/zinc/79/68/66/954796866.db2.gz VIWLSQQTUTXYLH-CQSZACIVSA-N 1 3 267.417 1.295 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001327258882 954796871 /nfs/dbraw/zinc/79/68/71/954796871.db2.gz VIWLSQQTUTXYLH-CQSZACIVSA-N 1 3 267.417 1.295 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001491834225 955459176 /nfs/dbraw/zinc/45/91/76/955459176.db2.gz CGFFVBBAZVUWPH-AWEZNQCLSA-N 1 3 281.444 1.588 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001329032532 955640785 /nfs/dbraw/zinc/64/07/85/955640785.db2.gz 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HHZLHOXDENFCIS-DAXSKMNVSA-N 1 3 297.830 1.132 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001690678692 1175544472 /nfs/dbraw/zinc/54/44/72/1175544472.db2.gz OYHCXIWVLOKHCQ-JKSUJKDBSA-N 1 3 291.439 1.463 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001690678692 1175544476 /nfs/dbraw/zinc/54/44/76/1175544476.db2.gz OYHCXIWVLOKHCQ-JKSUJKDBSA-N 1 3 291.439 1.463 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001690678692 1175544479 /nfs/dbraw/zinc/54/44/79/1175544479.db2.gz OYHCXIWVLOKHCQ-JKSUJKDBSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CC2CC2)CC1 ZINC001698619208 1175874707 /nfs/dbraw/zinc/87/47/07/1175874707.db2.gz NNPJZKRXBQKEOE-MRXNPFEDSA-N 1 3 291.439 1.226 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001698668758 1175892050 /nfs/dbraw/zinc/89/20/50/1175892050.db2.gz UBZCOQCILNHITN-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699003528 1176035391 /nfs/dbraw/zinc/03/53/91/1176035391.db2.gz ZOPYGNPQRQFLRA-HNNXBMFYSA-N 1 3 279.428 1.295 10 30 CDEEHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001699838997 1176651932 /nfs/dbraw/zinc/65/19/32/1176651932.db2.gz WVBOUCALPUNYSF-MRXNPFEDSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001699844206 1176653669 /nfs/dbraw/zinc/65/36/69/1176653669.db2.gz JLOMSCORJFQBPQ-QGZVFWFLSA-N 1 3 295.471 1.979 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001700203925 1176796576 /nfs/dbraw/zinc/79/65/76/1176796576.db2.gz WCGAYDGIMRFNRU-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001700203925 1176796584 /nfs/dbraw/zinc/79/65/84/1176796584.db2.gz WCGAYDGIMRFNRU-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001700362935 1176875531 /nfs/dbraw/zinc/87/55/31/1176875531.db2.gz FEIPOZGFFXFILC-MRXNPFEDSA-N 1 3 293.455 1.971 10 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ZINC001716223826 1180110629 /nfs/dbraw/zinc/11/06/29/1180110629.db2.gz FSKMWNLJEDNESG-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001716223826 1180110632 /nfs/dbraw/zinc/11/06/32/1180110632.db2.gz FSKMWNLJEDNESG-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001716874567 1180449493 /nfs/dbraw/zinc/44/94/93/1180449493.db2.gz MEJPLCAVYJLCBR-RDJZCZTQSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)CCC[NH+](C)C ZINC001717210826 1180577520 /nfs/dbraw/zinc/57/75/20/1180577520.db2.gz UGVYARVFHHTADQ-UHFFFAOYSA-N 1 3 267.417 1.132 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001717550648 1180734904 /nfs/dbraw/zinc/73/49/04/1180734904.db2.gz DFUUXXZCQSFDOU-CQSZACIVSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001717648140 1180773456 /nfs/dbraw/zinc/77/34/56/1180773456.db2.gz PSFZAIDYVMRRBD-SHTZXODSSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001723875040 1181614280 /nfs/dbraw/zinc/61/42/80/1181614280.db2.gz KNNHSLNFKRIEPY-HUUCEWRRSA-N 1 3 279.428 1.319 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001725042109 1181832364 /nfs/dbraw/zinc/83/23/64/1181832364.db2.gz QINSJVCXRKTQAX-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001725042109 1181832369 /nfs/dbraw/zinc/83/23/69/1181832369.db2.gz QINSJVCXRKTQAX-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001725184337 1181912049 /nfs/dbraw/zinc/91/20/49/1181912049.db2.gz YEAAZJLQMHJSTF-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001725184337 1181912055 /nfs/dbraw/zinc/91/20/55/1181912055.db2.gz YEAAZJLQMHJSTF-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001725816516 1182141441 /nfs/dbraw/zinc/14/14/41/1182141441.db2.gz KQXLVCMMRACSSH-UHFFFAOYSA-N 1 3 291.439 1.795 10 30 CDEEHO C=CCC[N@@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001725816516 1182141443 /nfs/dbraw/zinc/14/14/43/1182141443.db2.gz KQXLVCMMRACSSH-UHFFFAOYSA-N 1 3 291.439 1.795 10 30 CDEEHO C#CCCN1CC[C@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001732076401 1182753648 /nfs/dbraw/zinc/75/36/48/1182753648.db2.gz NQZHXXNLNAVYNJ-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733053261 1183265991 /nfs/dbraw/zinc/26/59/91/1183265991.db2.gz ILAAAUYOFZQRTD-ZDUSSCGKSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001733960186 1183585883 /nfs/dbraw/zinc/58/58/83/1183585883.db2.gz OLQYRVBHGXNTJD-UHFFFAOYSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001734299938 1183719423 /nfs/dbraw/zinc/71/94/23/1183719423.db2.gz GKEWAMSPSUJXGX-HOTGVXAUSA-N 1 3 293.455 1.872 10 30 CDEEHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001734577519 1183831667 /nfs/dbraw/zinc/83/16/67/1183831667.db2.gz DBYRTPOHKIDVKF-OAHLLOKOSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000876541907 790890792 /nfs/dbraw/zinc/89/07/92/790890792.db2.gz LSPUNASTSCQGDA-WDEREUQCSA-N 1 3 261.797 1.288 10 30 CDEEHO CC[N@@H+]1CC[C@H](N(C)CCO[C@H](C)C#N)[C@@H](C)C1 ZINC000801933296 792610147 /nfs/dbraw/zinc/61/01/47/792610147.db2.gz MZMVAZLLRREJSQ-MJBXVCDLSA-N 1 3 253.390 1.577 10 30 CDEEHO CC[N@H+]1CC[C@H](N(C)CCO[C@H](C)C#N)[C@@H](C)C1 ZINC000801933296 792610167 /nfs/dbraw/zinc/61/01/67/792610167.db2.gz MZMVAZLLRREJSQ-MJBXVCDLSA-N 1 3 253.390 1.577 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000876742001 792822683 /nfs/dbraw/zinc/82/26/83/792822683.db2.gz QBDHWRAZCLYPLG-OLZOCXBDSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000876770568 793008398 /nfs/dbraw/zinc/00/83/98/793008398.db2.gz HNHXGCDOZUGJEG-AGIUHOORSA-N 1 3 287.835 1.788 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000876770568 793008408 /nfs/dbraw/zinc/00/84/08/793008408.db2.gz HNHXGCDOZUGJEG-AGIUHOORSA-N 1 3 287.835 1.788 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000198936473 794475242 /nfs/dbraw/zinc/47/52/42/794475242.db2.gz DZAYGGXQBOTNOC-ZDUSSCGKSA-N 1 3 252.406 1.708 10 30 CDEEHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925654895 794608805 /nfs/dbraw/zinc/60/88/05/794608805.db2.gz HIRNSALCEFOCDF-RDBSUJKOSA-N 1 3 250.386 1.842 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000876728684 795862983 /nfs/dbraw/zinc/86/29/83/795862983.db2.gz SEXDRMHLYOETDX-NWDGAFQWSA-N 1 3 275.824 1.549 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001569118786 1167553523 /nfs/dbraw/zinc/55/35/23/1167553523.db2.gz GWRVZJJDOHVRMH-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001569118786 1167553530 /nfs/dbraw/zinc/55/35/30/1167553530.db2.gz GWRVZJJDOHVRMH-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001566124157 1168242551 /nfs/dbraw/zinc/24/25/51/1168242551.db2.gz IOIOPVXBKUVHHA-LSDHHAIUSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001566124157 1168242559 /nfs/dbraw/zinc/24/25/59/1168242559.db2.gz IOIOPVXBKUVHHA-LSDHHAIUSA-N 1 3 279.428 1.580 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001567144509 1168594971 /nfs/dbraw/zinc/59/49/71/1168594971.db2.gz ATKWAMKFVWQHFH-INIZCTEOSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCC(=C)C)CC1 ZINC001266993778 896514527 /nfs/dbraw/zinc/51/45/27/896514527.db2.gz FQEMKIJJEWOPIX-OAHLLOKOSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001267083414 896728474 /nfs/dbraw/zinc/72/84/74/896728474.db2.gz YHKYDNFTEJXEMV-KGLIPLIRSA-N 1 3 279.428 1.674 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)N(C)C ZINC001267826835 899826022 /nfs/dbraw/zinc/82/60/22/899826022.db2.gz CNFVZIVMLHTSEV-OLZOCXBDSA-N 1 3 255.406 1.243 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001284195344 902667226 /nfs/dbraw/zinc/66/72/26/902667226.db2.gz JZPDJIFACPIFQD-CABCVRRESA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](CC)CC1 ZINC001270358334 904559632 /nfs/dbraw/zinc/55/96/32/904559632.db2.gz GDYHEMCNMCFUHB-UHFFFAOYSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001482698013 908293631 /nfs/dbraw/zinc/29/36/31/908293631.db2.gz IPHYZDOJESYUOF-CABCVRRESA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482868231 908447719 /nfs/dbraw/zinc/44/77/19/908447719.db2.gz RGIHQGZVJSTGIO-LBPRGKRZSA-N 1 3 287.835 1.565 10 30 CDEEHO C=CC[NH2+]C/C=C/CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001483060732 909199334 /nfs/dbraw/zinc/19/93/34/909199334.db2.gz OYLRBRBCZJFPCA-FYCOFBDGSA-N 1 3 297.418 1.647 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001139870012 936655037 /nfs/dbraw/zinc/65/50/37/936655037.db2.gz WERIHNYUMLINGW-GJZGRUSLSA-N 1 3 281.444 1.826 10 30 CDEEHO C#CCCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486181546 920786106 /nfs/dbraw/zinc/78/61/06/920786106.db2.gz UMOHZQSUIATOPN-LSDHHAIUSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001486219046 920829994 /nfs/dbraw/zinc/82/99/94/920829994.db2.gz QMNIBDFMQPWZOD-KGLIPLIRSA-N 1 3 290.411 1.711 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001490947994 936834543 /nfs/dbraw/zinc/83/45/43/936834543.db2.gz GGCDFRJVSITMII-IHRRRGAJSA-N 1 3 267.417 1.530 10 30 CDEEHO C=C(C)CC[NH2+]C/C=C\CNC(=O)CN1CC[C@@H](C)C1 ZINC001274368452 931494380 /nfs/dbraw/zinc/49/43/80/931494380.db2.gz LMQJAEMKBSJORE-FOSCPCJNSA-N 1 3 279.428 1.556 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001275143811 931679166 /nfs/dbraw/zinc/67/91/66/931679166.db2.gz QYSYEWSDACDIAX-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001275143811 931679168 /nfs/dbraw/zinc/67/91/68/931679168.db2.gz QYSYEWSDACDIAX-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001282240008 942683232 /nfs/dbraw/zinc/68/32/32/942683232.db2.gz AYJIFBZMUMKSLG-QWHCGFSZSA-N 1 3 255.406 1.386 10 30 CDEEHO C=CCCC[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001284818343 943262056 /nfs/dbraw/zinc/26/20/56/943262056.db2.gz DHVCYLAPXJRGCN-UHFFFAOYSA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001263835533 943995891 /nfs/dbraw/zinc/99/58/91/943995891.db2.gz WHUWDZUIJATYEX-OKILXGFUSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001265457991 944395085 /nfs/dbraw/zinc/39/50/85/944395085.db2.gz DTGIKXYVHBRENW-AWEZNQCLSA-N 1 3 265.401 1.239 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001265632152 944451447 /nfs/dbraw/zinc/45/14/47/944451447.db2.gz CLLZBJUZRXWVKD-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCN1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001479672372 971361661 /nfs/dbraw/zinc/36/16/61/971361661.db2.gz GUOVTWNTVHSPOK-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CCN1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001479672372 971361665 /nfs/dbraw/zinc/36/16/65/971361665.db2.gz GUOVTWNTVHSPOK-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO C=C(C)CN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001479717289 971382131 /nfs/dbraw/zinc/38/21/31/971382131.db2.gz XWXPYYGHHQIPON-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)CC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCC1 ZINC001326890441 954603027 /nfs/dbraw/zinc/60/30/27/954603027.db2.gz ZETOBHJAKBQMFC-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001491856128 955470094 /nfs/dbraw/zinc/47/00/94/955470094.db2.gz JXBXBSFMHMARQF-HNNXBMFYSA-N 1 3 279.428 1.487 10 30 CDEEHO C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001328928185 955561802 /nfs/dbraw/zinc/56/18/02/955561802.db2.gz ORFZGWFFPXRRMK-GPANFISMSA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)CN1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001316990688 956918890 /nfs/dbraw/zinc/91/88/90/956918890.db2.gz JIJNMPKPXRWODM-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CN1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001316990688 956918899 /nfs/dbraw/zinc/91/88/99/956918899.db2.gz JIJNMPKPXRWODM-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001316806677 957029237 /nfs/dbraw/zinc/02/92/37/957029237.db2.gz LEQZCNFPHVTYGA-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001316806677 957029252 /nfs/dbraw/zinc/02/92/52/957029252.db2.gz LEQZCNFPHVTYGA-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317342774 957430963 /nfs/dbraw/zinc/43/09/63/957430963.db2.gz IICIICXFIAURRF-HUUCEWRRSA-N 1 3 279.428 1.034 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1CCC)C(C)(C)C ZINC001332806591 957850314 /nfs/dbraw/zinc/85/03/14/957850314.db2.gz LQAQIZSHFOJOJP-HUUCEWRRSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@](C)(C[NH2+]CC)C2CC2)CC1 ZINC001318728775 958245834 /nfs/dbraw/zinc/24/58/34/958245834.db2.gz PKELMJNGWXAWML-KRWDZBQOSA-N 1 3 291.439 1.226 10 30 CDEEHO CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCCN1CC ZINC001321418752 959775517 /nfs/dbraw/zinc/77/55/17/959775517.db2.gz IMAVBWURRKUXRS-ZPIQOJFGSA-N 1 3 277.412 1.146 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001324286885 961285226 /nfs/dbraw/zinc/28/52/26/961285226.db2.gz VDYWQRJPOVPBFY-CYBMUJFWSA-N 1 3 253.390 1.093 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001496846092 973119821 /nfs/dbraw/zinc/11/98/21/973119821.db2.gz ZPDROGJFUDTPLX-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498401558 973886645 /nfs/dbraw/zinc/88/66/45/973886645.db2.gz ZRBLNJASDYBFGS-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001506897751 975250666 /nfs/dbraw/zinc/25/06/66/975250666.db2.gz TXEYPXDXVYKXEW-IHRRRGAJSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001507289607 975400588 /nfs/dbraw/zinc/40/05/88/975400588.db2.gz SLPOGYYKWOJABG-UONOGXRCSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402601971 976389357 /nfs/dbraw/zinc/38/93/57/976389357.db2.gz BWPHAKIALZVOEN-TXEJJXNPSA-N 1 3 285.819 1.318 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001656241084 1171798207 /nfs/dbraw/zinc/79/82/07/1171798207.db2.gz MVXUJCLZYRGYNO-LDKKBFSKSA-N 1 3 293.455 1.920 10 30 CDEEHO C[C@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)C[NH+](C)C ZINC000594439459 342906497 /nfs/dbraw/zinc/90/64/97/342906497.db2.gz QRGDDYMJYUZOIA-QWHCGFSZSA-N 1 3 282.432 1.490 10 30 CDEEHO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507568 345679127 /nfs/dbraw/zinc/67/91/27/345679127.db2.gz AHMPSRCQHHDQHU-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507568 345679129 /nfs/dbraw/zinc/67/91/29/345679129.db2.gz AHMPSRCQHHDQHU-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661555067 1172405505 /nfs/dbraw/zinc/40/55/05/1172405505.db2.gz IMDNHXSGSZBPNA-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1ccc(C#N)cc1 ZINC000422986837 374365821 /nfs/dbraw/zinc/36/58/21/374365821.db2.gz DKSBAYCVPWXYEL-CZUORRHYSA-N 1 3 273.380 1.915 10 30 CDEEHO C=CC[C@@]1(C(=O)NCCN2CC[C@@H](C)C2)CCC[NH2+]1 ZINC000662746680 413423126 /nfs/dbraw/zinc/42/31/26/413423126.db2.gz QQWGKVWRMUWAHT-HIFRSBDPSA-N 1 3 265.401 1.143 10 30 CDEEHO C[NH+]1CCC(CNC(=O)c2ccc(C#CCN)s2)CC1 ZINC000044527362 175192801 /nfs/dbraw/zinc/19/28/01/175192801.db2.gz QTCHIWPJCWPUBQ-UHFFFAOYSA-N 1 3 291.420 1.130 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000262240345 330002494 /nfs/dbraw/zinc/00/24/94/330002494.db2.gz XXSNFDMLNJEDTP-LXTVHRRPSA-N 1 3 296.459 1.579 10 30 CDEEHO C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262444829 330013513 /nfs/dbraw/zinc/01/35/13/330013513.db2.gz IKEMADTVISKPQP-ZIAGYGMSSA-N 1 3 278.444 1.921 10 30 CDEEHO CNC(=[NH2+])N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000270131656 330074004 /nfs/dbraw/zinc/07/40/04/330074004.db2.gz PAZWSEFJPGEPJO-OCCSQVGLSA-N 1 3 260.385 1.574 10 30 CDEEHO C#CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691786029 1159174592 /nfs/dbraw/zinc/17/45/92/1159174592.db2.gz MDWQGYMWJLOVSJ-SHTZXODSSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268375616 1159913733 /nfs/dbraw/zinc/91/37/33/1159913733.db2.gz VGXZPDJVWWWBIF-OLZOCXBDSA-N 1 3 255.406 1.243 10 30 CDEEHO C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CCC ZINC001496487038 1159926100 /nfs/dbraw/zinc/92/61/00/1159926100.db2.gz KHNHCMZHVPKJEH-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001715648267 1179752205 /nfs/dbraw/zinc/75/22/05/1179752205.db2.gz ZIVYBZFFUUHCDW-GJZGRUSLSA-N 1 3 281.444 1.635 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001715842314 1179865496 /nfs/dbraw/zinc/86/54/96/1179865496.db2.gz WAFUHSWYNKERLZ-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001715842314 1179865512 /nfs/dbraw/zinc/86/55/12/1179865512.db2.gz WAFUHSWYNKERLZ-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCC[N@H+](C)CCCNC(=O)Cc1nc[nH]c1C ZINC001689882401 1175294203 /nfs/dbraw/zinc/29/42/03/1175294203.db2.gz ZOJBAQUOMGHJDF-UHFFFAOYSA-N 1 3 264.373 1.275 10 30 CDEEHO C=CCC[N@@H+](C)CCCNC(=O)Cc1nc[nH]c1C ZINC001689882401 1175294211 /nfs/dbraw/zinc/29/42/11/1175294211.db2.gz ZOJBAQUOMGHJDF-UHFFFAOYSA-N 1 3 264.373 1.275 10 30 CDEEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccccc1C#N)C2 ZINC000903494965 626011774 /nfs/dbraw/zinc/01/17/74/626011774.db2.gz STOLPNPVPPMFOH-UXLLHSPISA-N 1 3 299.374 1.271 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000912373320 629969843 /nfs/dbraw/zinc/96/98/43/629969843.db2.gz ALFWNWJPBNAAOM-HNNXBMFYSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001700257393 1158943607 /nfs/dbraw/zinc/94/36/07/1158943607.db2.gz AAOBGHWKROIPLY-DZGCQCFKSA-N 1 3 279.428 1.483 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001691167337 1158942164 /nfs/dbraw/zinc/94/21/64/1158942164.db2.gz TYGCXBBJHQGFPI-RBSFLKMASA-N 1 3 279.428 1.389 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001269236094 1160044635 /nfs/dbraw/zinc/04/46/35/1160044635.db2.gz VOFQUCXLBIUDFJ-RBSFLKMASA-N 1 3 279.428 1.483 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001269236094 1160044642 /nfs/dbraw/zinc/04/46/42/1160044642.db2.gz VOFQUCXLBIUDFJ-RBSFLKMASA-N 1 3 279.428 1.483 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001566811001 1168430367 /nfs/dbraw/zinc/43/03/67/1168430367.db2.gz LTKMXSODGBFYTG-MRVWCRGKSA-N 1 3 290.411 1.852 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001567144510 1168595811 /nfs/dbraw/zinc/59/58/11/1168595811.db2.gz ATKWAMKFVWQHFH-MRXNPFEDSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)CCC[NH+](C)C ZINC001698996330 1176024114 /nfs/dbraw/zinc/02/41/14/1176024114.db2.gz ZHGNAVQTILPRRO-UHFFFAOYSA-N 1 3 255.406 1.295 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001699011916 1176040148 /nfs/dbraw/zinc/04/01/48/1176040148.db2.gz ARVXFFVFTIPEAY-LSDHHAIUSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001700099857 1176746861 /nfs/dbraw/zinc/74/68/61/1176746861.db2.gz RNBAMAZHJGUXGJ-WMLDXEAASA-N 1 3 299.418 1.538 10 30 CDEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001700099857 1176746868 /nfs/dbraw/zinc/74/68/68/1176746868.db2.gz RNBAMAZHJGUXGJ-WMLDXEAASA-N 1 3 299.418 1.538 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001700345356 1176860880 /nfs/dbraw/zinc/86/08/80/1176860880.db2.gz CAGWGQYGXGUBLB-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001707091006 1177948968 /nfs/dbraw/zinc/94/89/68/1177948968.db2.gz NWOKBNMHUGFREQ-JYJNAYRXSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCC[NH+]1CC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001714523840 1179180679 /nfs/dbraw/zinc/18/06/79/1179180679.db2.gz RGUUSUCBUZWXJL-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001714967755 1179482801 /nfs/dbraw/zinc/48/28/01/1179482801.db2.gz WENQYOMTTAHFJH-INIZCTEOSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001716452673 1180218685 /nfs/dbraw/zinc/21/86/85/1180218685.db2.gz MQZQXBCELPXEEY-XJKSGUPXSA-N 1 3 297.418 1.317 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001716769714 1180407061 /nfs/dbraw/zinc/40/70/61/1180407061.db2.gz FEHCHHSNZASNIH-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001717376716 1180637297 /nfs/dbraw/zinc/63/72/97/1180637297.db2.gz WTMJGQVWENGMSU-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001717376716 1180637303 /nfs/dbraw/zinc/63/73/03/1180637303.db2.gz WTMJGQVWENGMSU-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CCN1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001717840874 1180889346 /nfs/dbraw/zinc/88/93/46/1180889346.db2.gz MHRZYXOUGDHHGY-ZBFHGGJFSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN1CC[C@@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001717840874 1180889356 /nfs/dbraw/zinc/88/93/56/1180889356.db2.gz MHRZYXOUGDHHGY-ZBFHGGJFSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1CC ZINC001723388710 1181546261 /nfs/dbraw/zinc/54/62/61/1181546261.db2.gz GIXMRYVIYVXHMC-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001725084777 1181851595 /nfs/dbraw/zinc/85/15/95/1181851595.db2.gz CONSDXWGIJHRPN-QWHCGFSZSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CC[NH2+][C@@H](CCN(C)C(=O)CN1CC[C@H](C)C1)C(C)C ZINC001725210976 1181924297 /nfs/dbraw/zinc/92/42/97/1181924297.db2.gz AFQBFQPZZZAMIF-HOTGVXAUSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001731338194 1182328384 /nfs/dbraw/zinc/32/83/84/1182328384.db2.gz UKOUUMWNKLMHKO-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001731338194 1182328387 /nfs/dbraw/zinc/32/83/87/1182328387.db2.gz UKOUUMWNKLMHKO-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC=C)C2CC2)CC1 ZINC001731411354 1182370328 /nfs/dbraw/zinc/37/03/28/1182370328.db2.gz SGNLQRFDOQCMLH-INIZCTEOSA-N 1 3 289.423 1.002 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001731486319 1182415131 /nfs/dbraw/zinc/41/51/31/1182415131.db2.gz OHVYFZRUISCILW-BETUJISGSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001732184104 1182837724 /nfs/dbraw/zinc/83/77/24/1182837724.db2.gz DDGGQVQBHVADRZ-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001732184104 1182837730 /nfs/dbraw/zinc/83/77/30/1182837730.db2.gz DDGGQVQBHVADRZ-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO CC#CCNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001733251140 1183369862 /nfs/dbraw/zinc/36/98/62/1183369862.db2.gz UQTMSTIHHWDNSH-CQSZACIVSA-N 1 3 277.412 1.123 10 30 CDEEHO CC#CCNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001733251140 1183369868 /nfs/dbraw/zinc/36/98/68/1183369868.db2.gz UQTMSTIHHWDNSH-CQSZACIVSA-N 1 3 277.412 1.123 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001733759955 1183522631 /nfs/dbraw/zinc/52/26/31/1183522631.db2.gz IPGTXOWGJHXTOP-HUUCEWRRSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001733759955 1183522635 /nfs/dbraw/zinc/52/26/35/1183522635.db2.gz IPGTXOWGJHXTOP-HUUCEWRRSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001750927711 1184783164 /nfs/dbraw/zinc/78/31/64/1184783164.db2.gz SHRVHOQLNTWLAB-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001691708816 1164428496 /nfs/dbraw/zinc/42/84/96/1164428496.db2.gz IELYVBHDMZRLQA-OWCLPIDISA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000877452288 1166039079 /nfs/dbraw/zinc/03/90/79/1166039079.db2.gz WJPLAAJDAJPTKA-QJPTWQEYSA-N 1 3 271.792 1.151 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000876739879 796457606 /nfs/dbraw/zinc/45/76/06/796457606.db2.gz JUMMRFHACIYKQL-OLZOCXBDSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000876739879 796457615 /nfs/dbraw/zinc/45/76/15/796457615.db2.gz JUMMRFHACIYKQL-OLZOCXBDSA-N 1 3 287.835 1.693 10 30 CDEEHO C[N@@H+]1CC[C@H](NCCNc2ccc(C#N)cn2)[C@H]2CCC[C@@H]21 ZINC000927161988 797963599 /nfs/dbraw/zinc/96/35/99/797963599.db2.gz AOFLMFAYBOVOEW-PMPSAXMXSA-N 1 3 299.422 1.828 10 30 CDEEHO C[N@H+]1CC[C@H](NCCNc2ccc(C#N)cn2)[C@H]2CCC[C@@H]21 ZINC000927161988 797963613 /nfs/dbraw/zinc/96/36/13/797963613.db2.gz AOFLMFAYBOVOEW-PMPSAXMXSA-N 1 3 299.422 1.828 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001565938105 1168071765 /nfs/dbraw/zinc/07/17/65/1168071765.db2.gz FMSYZIOVRUDIEO-UKRRQHHQSA-N 1 3 290.411 1.745 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001566871408 1168452609 /nfs/dbraw/zinc/45/26/09/1168452609.db2.gz BRQFRKNOVBIOTR-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001566871408 1168452614 /nfs/dbraw/zinc/45/26/14/1168452614.db2.gz BRQFRKNOVBIOTR-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCCN(C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266344488 894474583 /nfs/dbraw/zinc/47/45/83/894474583.db2.gz LDLAGJZMDSTZGJ-UHFFFAOYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266807328 896088254 /nfs/dbraw/zinc/08/82/54/896088254.db2.gz JCTOSYMLCYJODS-HUUCEWRRSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001266974477 896474716 /nfs/dbraw/zinc/47/47/16/896474716.db2.gz FGHPWEDWMAWUGK-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567574100 1168864913 /nfs/dbraw/zinc/86/49/13/1168864913.db2.gz XGQSOXBZHAZUIH-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001567574100 1168864927 /nfs/dbraw/zinc/86/49/27/1168864927.db2.gz XGQSOXBZHAZUIH-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267535864 898279927 /nfs/dbraw/zinc/27/99/27/898279927.db2.gz HIVRGPVUKGCOCL-CVEARBPZSA-N 1 3 293.455 1.424 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267535864 898279939 /nfs/dbraw/zinc/27/99/39/898279939.db2.gz HIVRGPVUKGCOCL-CVEARBPZSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001267571901 898446382 /nfs/dbraw/zinc/44/63/82/898446382.db2.gz UQMGUTPIYIBSTI-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001267571901 898446386 /nfs/dbraw/zinc/44/63/86/898446386.db2.gz UQMGUTPIYIBSTI-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCCC1 ZINC001267841729 899854194 /nfs/dbraw/zinc/85/41/94/899854194.db2.gz XYLYKCVYZHIDIY-UHFFFAOYSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CC[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001481337007 900444525 /nfs/dbraw/zinc/44/45/25/900444525.db2.gz YRXYTSBKOYNBNZ-CQSZACIVSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001268160888 901454358 /nfs/dbraw/zinc/45/43/58/901454358.db2.gz BTTPCUOBBRGGNK-JKSUJKDBSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C ZINC001268440128 902059352 /nfs/dbraw/zinc/05/93/52/902059352.db2.gz WWDYVWGYMXYLAK-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO CN(C)C1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCCCC1 ZINC000261776696 902680800 /nfs/dbraw/zinc/68/08/00/902680800.db2.gz NJJJPOGMNDFVMS-ZDUSSCGKSA-N 1 3 282.432 1.334 10 30 CDEEHO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001496758518 908075453 /nfs/dbraw/zinc/07/54/53/908075453.db2.gz PGFBWMXQBMQKHD-HUUCEWRRSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001496758518 908075463 /nfs/dbraw/zinc/07/54/63/908075463.db2.gz PGFBWMXQBMQKHD-HUUCEWRRSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482887332 908460679 /nfs/dbraw/zinc/46/06/79/908460679.db2.gz AEJQUYKJUVUTAE-CHWSQXEVSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482887332 908460689 /nfs/dbraw/zinc/46/06/89/908460689.db2.gz AEJQUYKJUVUTAE-CHWSQXEVSA-N 1 3 287.835 1.565 10 30 CDEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001484123992 915447813 /nfs/dbraw/zinc/44/78/13/915447813.db2.gz VVFNXKASILPYIM-WBVHZDCISA-N 1 3 295.471 1.977 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H](NC(=O)CN(C)CCC)CC1 ZINC001484726291 916088191 /nfs/dbraw/zinc/08/81/91/916088191.db2.gz KTOYONLRLZMXBZ-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN(C)CCC)CC1 ZINC001484726291 916088208 /nfs/dbraw/zinc/08/82/08/916088208.db2.gz KTOYONLRLZMXBZ-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001484722085 916103918 /nfs/dbraw/zinc/10/39/18/916103918.db2.gz RGHKSHPXRQIJLR-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001484722085 916103927 /nfs/dbraw/zinc/10/39/27/916103927.db2.gz RGHKSHPXRQIJLR-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001272777839 919255259 /nfs/dbraw/zinc/25/52/59/919255259.db2.gz LYFJXDIWARJZJN-HDJSIYSDSA-N 1 3 290.411 1.711 10 30 CDEEHO C[NH+](C)C1(C)CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000715518583 919319529 /nfs/dbraw/zinc/31/95/29/919319529.db2.gz LCZQUUGTNSJSGP-OWYJLGKBSA-N 1 3 280.416 1.387 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001491061601 936847616 /nfs/dbraw/zinc/84/76/16/936847616.db2.gz PLSCHEHQRGLOQL-OWCLPIDISA-N 1 3 291.439 1.509 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001495582221 936854075 /nfs/dbraw/zinc/85/40/75/936854075.db2.gz YOCUSIOABGKOBW-CQSZACIVSA-N 1 3 276.384 1.499 10 30 CDEEHO CC#CCN1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001490599249 927248728 /nfs/dbraw/zinc/24/87/28/927248728.db2.gz QHHGFTMFHJVSCC-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001274632671 931526683 /nfs/dbraw/zinc/52/66/83/931526683.db2.gz AXJXAOXYCDPAOB-LSDHHAIUSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001274632671 931526687 /nfs/dbraw/zinc/52/66/87/931526687.db2.gz AXJXAOXYCDPAOB-LSDHHAIUSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001282334484 942689425 /nfs/dbraw/zinc/68/94/25/942689425.db2.gz AMAASWXNCKVHHO-HUUCEWRRSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[NH2+][C@H](CCN(C)C(=O)CN(C)C(C)C)C(C)C ZINC001282573083 942730540 /nfs/dbraw/zinc/73/05/40/942730540.db2.gz CMXKCNMXSZAHES-OAHLLOKOSA-N 1 3 281.444 1.423 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001265089819 944225544 /nfs/dbraw/zinc/22/55/44/944225544.db2.gz RVNKGCRHJWDAPH-TZMCWYRMSA-N 1 3 276.384 1.497 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001265164855 944256181 /nfs/dbraw/zinc/25/61/81/944256181.db2.gz WWIKBGQTFVZYSS-UHFFFAOYSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001265164855 944256186 /nfs/dbraw/zinc/25/61/86/944256186.db2.gz WWIKBGQTFVZYSS-UHFFFAOYSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001265636658 944451363 /nfs/dbraw/zinc/45/13/63/944451363.db2.gz MMGCRUDMRGCTLD-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO CC[NH+](CC)C1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC001261552126 946170867 /nfs/dbraw/zinc/17/08/67/946170867.db2.gz HCROWSILTDLDHV-HNNXBMFYSA-N 1 3 294.443 1.730 10 30 CDEEHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001316655025 954462511 /nfs/dbraw/zinc/46/25/11/954462511.db2.gz LKESAXGHFNRFKW-RRFJBIMHSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001329500286 955952285 /nfs/dbraw/zinc/95/22/85/955952285.db2.gz GPZMTSPKXWYXCY-AWEZNQCLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001329500286 955952293 /nfs/dbraw/zinc/95/22/93/955952293.db2.gz GPZMTSPKXWYXCY-AWEZNQCLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCCN1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001330031262 956243170 /nfs/dbraw/zinc/24/31/70/956243170.db2.gz KGXAMQQQXCQSGY-AWEZNQCLSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001316859329 956646439 /nfs/dbraw/zinc/64/64/39/956646439.db2.gz NVEQZAHDRPOYKX-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCCN1C ZINC001316727671 956956907 /nfs/dbraw/zinc/95/69/07/956956907.db2.gz VLDSCLVIULIDMU-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001317202075 957340376 /nfs/dbraw/zinc/34/03/76/957340376.db2.gz DUVWTUZVXQGEEM-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001317202075 957340383 /nfs/dbraw/zinc/34/03/83/957340383.db2.gz DUVWTUZVXQGEEM-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCNCCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001317615237 957599542 /nfs/dbraw/zinc/59/95/42/957599542.db2.gz VQFRKRNKWKBOBF-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCNCCN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001317615237 957599549 /nfs/dbraw/zinc/59/95/49/957599549.db2.gz VQFRKRNKWKBOBF-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001318959517 958321183 /nfs/dbraw/zinc/32/11/83/958321183.db2.gz QPHHJPPFZSKRQE-JYJNAYRXSA-N 1 3 293.455 1.613 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001319788131 958727793 /nfs/dbraw/zinc/72/77/93/958727793.db2.gz LSWJKTSMEIWOFT-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001342017231 963611717 /nfs/dbraw/zinc/61/17/17/963611717.db2.gz ZANOEXHPBYCGCH-QWHCGFSZSA-N 1 3 265.401 1.461 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001343217182 963930390 /nfs/dbraw/zinc/93/03/90/963930390.db2.gz MYTXYKASIAFCDF-JJXSEGSLSA-N 1 3 293.455 1.859 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001441362950 964475969 /nfs/dbraw/zinc/47/59/69/964475969.db2.gz HHEHMLVVRSUTDJ-MRVWCRGKSA-N 1 3 299.846 1.565 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001496845447 973120712 /nfs/dbraw/zinc/12/07/12/973120712.db2.gz RNJBVKNENKUZQX-HNNXBMFYSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001498771569 974056434 /nfs/dbraw/zinc/05/64/34/974056434.db2.gz WBYKESDEAXONSM-CQSZACIVSA-N 1 3 279.428 1.531 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001498771379 974057926 /nfs/dbraw/zinc/05/79/26/974057926.db2.gz YFZORDVSISBDIT-JKSUJKDBSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)[C@H](CC)N(C)C ZINC001502390485 974732485 /nfs/dbraw/zinc/73/24/85/974732485.db2.gz GNQNNGXLLMAXTH-ZDUSSCGKSA-N 1 3 255.406 1.293 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)[C@H](CC)N(C)C ZINC001502390485 974732489 /nfs/dbraw/zinc/73/24/89/974732489.db2.gz GNQNNGXLLMAXTH-ZDUSSCGKSA-N 1 3 255.406 1.293 10 30 CDEEHO C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001506616433 975189603 /nfs/dbraw/zinc/18/96/03/975189603.db2.gz MWHIJKKRXRXERC-ZFWWWQNUSA-N 1 3 297.418 1.126 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001507419572 975462487 /nfs/dbraw/zinc/46/24/87/975462487.db2.gz VEMJVARPJLJCEQ-LSDHHAIUSA-N 1 3 281.444 1.779 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001674396556 1173937899 /nfs/dbraw/zinc/93/78/99/1173937899.db2.gz YMPMXBXINQTECI-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001674861048 1174016391 /nfs/dbraw/zinc/01/63/91/1174016391.db2.gz XPJRJTBYRHPXII-UHFFFAOYSA-N 1 3 276.384 1.050 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001676228953 1174195448 /nfs/dbraw/zinc/19/54/48/1174195448.db2.gz VSAWXZPCZJBENW-HOTGVXAUSA-N 1 3 293.455 1.423 10 30 CDEEHO C#CCC[N@@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001570208895 1170111871 /nfs/dbraw/zinc/11/18/71/1170111871.db2.gz WMKVMOZQYMYJIU-HNNXBMFYSA-N 1 3 279.428 1.132 10 30 CDEEHO C#CCC[N@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001570208895 1170111874 /nfs/dbraw/zinc/11/18/74/1170111874.db2.gz WMKVMOZQYMYJIU-HNNXBMFYSA-N 1 3 279.428 1.132 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001570363542 1170143094 /nfs/dbraw/zinc/14/30/94/1170143094.db2.gz CRIKZZUCFXMQTD-KGLIPLIRSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001570648552 1170221810 /nfs/dbraw/zinc/22/18/10/1170221810.db2.gz ZGDHJQPGVQILEI-GHMZBOCLSA-N 1 3 264.373 1.320 10 30 CDEEHO C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001656448560 1171827239 /nfs/dbraw/zinc/82/72/39/1171827239.db2.gz RSGSVEKTKBLJGK-ZFWWWQNUSA-N 1 3 288.395 1.192 10 30 CDEEHO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594437256 342898485 /nfs/dbraw/zinc/89/84/85/342898485.db2.gz VFFZBVUHELCZCJ-KBPBESRZSA-N 1 3 280.416 1.340 10 30 CDEEHO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594437258 342898968 /nfs/dbraw/zinc/89/89/68/342898968.db2.gz VFFZBVUHELCZCJ-UONOGXRCSA-N 1 3 280.416 1.340 10 30 CDEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(C#N)CC(C)C1 ZINC000597941479 343673779 /nfs/dbraw/zinc/67/37/79/343673779.db2.gz BASQILPUUJZNRE-BBBYJDLNSA-N 1 3 294.443 1.314 10 30 CDEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(C#N)CC(C)C1 ZINC000597941479 343673780 /nfs/dbraw/zinc/67/37/80/343673780.db2.gz BASQILPUUJZNRE-BBBYJDLNSA-N 1 3 294.443 1.314 10 30 CDEEHO CC(C#N)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427153050 390912119 /nfs/dbraw/zinc/91/21/19/390912119.db2.gz OXUWYCKRRNHZAG-KBPBESRZSA-N 1 3 279.384 1.249 10 30 CDEEHO C[N@H+](Cc1sccc1C#CCN)C1CCOCC1 ZINC000043683758 175091679 /nfs/dbraw/zinc/09/16/79/175091679.db2.gz DUEIGOBBWIVOAW-UHFFFAOYSA-N 1 3 264.394 1.669 10 30 CDEEHO C[N@@H+](Cc1sccc1C#CCN)C1CCOCC1 ZINC000043683758 175091680 /nfs/dbraw/zinc/09/16/80/175091680.db2.gz DUEIGOBBWIVOAW-UHFFFAOYSA-N 1 3 264.394 1.669 10 30 CDEEHO N#Cc1ccccc1NC(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000044531159 175195859 /nfs/dbraw/zinc/19/58/59/175195859.db2.gz PLXVNAAGLYIHEY-CYBMUJFWSA-N 1 3 286.379 1.558 10 30 CDEEHO N#CCCC[C@@H](N)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580433011 330132133 /nfs/dbraw/zinc/13/21/33/330132133.db2.gz ANDNTKZWLRZMPS-CABCVRRESA-N 1 3 286.379 1.092 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001271093448 1160244483 /nfs/dbraw/zinc/24/44/83/1160244483.db2.gz OENZZAAMPRYCPO-ZIAGYGMSSA-N 1 3 269.433 1.585 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001483272103 1160889290 /nfs/dbraw/zinc/88/92/90/1160889290.db2.gz KDPOERVNBZKWKN-GJZGRUSLSA-N 1 3 279.428 1.367 10 30 CDEEHO CC#CCN[C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725495094 1182023664 /nfs/dbraw/zinc/02/36/64/1182023664.db2.gz LPLWVMGDKWPPLX-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN[C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001725495094 1182023668 /nfs/dbraw/zinc/02/36/68/1182023668.db2.gz LPLWVMGDKWPPLX-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C[N@H+](Cc1cccc(C#CCN)c1)[C@H]1CCSC1 ZINC000049609008 523292052 /nfs/dbraw/zinc/29/20/52/523292052.db2.gz ABZGIITWFURIPJ-HNNXBMFYSA-N 1 3 260.406 1.934 10 30 CDEEHO C[N@@H+](Cc1cccc(C#CCN)c1)[C@H]1CCSC1 ZINC000049609008 523292060 /nfs/dbraw/zinc/29/20/60/523292060.db2.gz ABZGIITWFURIPJ-HNNXBMFYSA-N 1 3 260.406 1.934 10 30 CDEEHO C[C@H](CN1CCCC1)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049189231 524314961 /nfs/dbraw/zinc/31/49/61/524314961.db2.gz PJWXPOQCPYNTIH-GFCCVEGCSA-N 1 3 291.420 1.272 10 30 CDEEHO [NH3+]CC#Cc1cc(F)ccc1CN1CCCC[C@@H]1CCO ZINC000049608684 527147463 /nfs/dbraw/zinc/14/74/63/527147463.db2.gz NIDRCUMKVYHNGQ-QGZVFWFLSA-N 1 3 290.382 1.873 10 30 CDEEHO C=C(C)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761771 538416667 /nfs/dbraw/zinc/41/66/67/538416667.db2.gz PLNSTZQFFVTTSG-ZDUSSCGKSA-N 1 3 270.421 1.134 10 30 CDEEHO C=C(C)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761771 538416664 /nfs/dbraw/zinc/41/66/64/538416664.db2.gz PLNSTZQFFVTTSG-ZDUSSCGKSA-N 1 3 270.421 1.134 10 30 CDEEHO Cc1ccc(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1C#N ZINC000925836842 617866829 /nfs/dbraw/zinc/86/68/29/617866829.db2.gz DTQCKGNJRPSUCW-SJORKVTESA-N 1 3 285.391 1.723 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001691107547 1158911839 /nfs/dbraw/zinc/91/18/39/1158911839.db2.gz HNUYNQNGQMWOKL-GASCZTMLSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000876940004 1165944197 /nfs/dbraw/zinc/94/41/97/1165944197.db2.gz OAZVGSQXGJRRON-WDEREUQCSA-N 1 3 271.792 1.247 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000877452288 1166039072 /nfs/dbraw/zinc/03/90/72/1166039072.db2.gz WJPLAAJDAJPTKA-QJPTWQEYSA-N 1 3 271.792 1.151 10 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/nfs/dbraw/zinc/74/64/62/1176746462.db2.gz RNBAMAZHJGUXGJ-PBHICJAKSA-N 1 3 299.418 1.538 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC=C)CC1 ZINC001700486948 1176976090 /nfs/dbraw/zinc/97/60/90/1176976090.db2.gz HMKUCGQXOFIHCR-OAHLLOKOSA-N 1 3 291.439 1.344 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC=C)CC1 ZINC001700486948 1176976094 /nfs/dbraw/zinc/97/60/94/1176976094.db2.gz HMKUCGQXOFIHCR-OAHLLOKOSA-N 1 3 291.439 1.344 10 30 CDEEHO C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001700845644 1177164184 /nfs/dbraw/zinc/16/41/84/1177164184.db2.gz ALMJGPLPEBMDOL-TZMCWYRMSA-N 1 3 276.384 1.497 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001700928885 1177197887 /nfs/dbraw/zinc/19/78/87/1177197887.db2.gz DFSDWUGKAKGSGK-OLZOCXBDSA-N 1 3 276.384 1.321 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001701023321 1177243603 /nfs/dbraw/zinc/24/36/03/1177243603.db2.gz AACOHIAYUGAANP-DNOWBOINSA-N 1 3 290.411 1.886 10 30 CDEEHO C#CCN1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713541871 1178634750 /nfs/dbraw/zinc/63/47/50/1178634750.db2.gz OJVGFLCJBONDPC-JKSUJKDBSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001713925867 1178849554 /nfs/dbraw/zinc/84/95/54/1178849554.db2.gz PCVVCELZFKINEQ-HUUCEWRRSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001714090710 1178968493 /nfs/dbraw/zinc/96/84/93/1178968493.db2.gz AEJOYROKMWTEIZ-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001714148893 1178991338 /nfs/dbraw/zinc/99/13/38/1178991338.db2.gz BHOQUEQJDKMANS-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001714148893 1178991345 /nfs/dbraw/zinc/99/13/45/1178991345.db2.gz BHOQUEQJDKMANS-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCN1CCC ZINC001715059946 1179535111 /nfs/dbraw/zinc/53/51/11/1179535111.db2.gz LNEMPSUCZFHIAO-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001715479390 1179677608 /nfs/dbraw/zinc/67/76/08/1179677608.db2.gz VBGGNHBVPQSSFC-DZGCQCFKSA-N 1 3 290.411 1.745 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001715928730 1179922594 /nfs/dbraw/zinc/92/25/94/1179922594.db2.gz WULLQUCUBNWKFQ-ZIAGYGMSSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001716693503 1180374916 /nfs/dbraw/zinc/37/49/16/1180374916.db2.gz KMTKVXOYKCZJOC-INIZCTEOSA-N 1 3 297.418 1.623 10 30 CDEEHO CC#CCN1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001716897514 1180457186 /nfs/dbraw/zinc/45/71/86/1180457186.db2.gz CQKAGBSKOPOUPF-QGZVFWFLSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001717202026 1180570266 /nfs/dbraw/zinc/57/02/66/1180570266.db2.gz MVHITIOJACVYQF-CQSZACIVSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001717202026 1180570269 /nfs/dbraw/zinc/57/02/69/1180570269.db2.gz MVHITIOJACVYQF-CQSZACIVSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001717732720 1180814933 /nfs/dbraw/zinc/81/49/33/1180814933.db2.gz RMYXHTVDQDQOMA-MRXNPFEDSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731270973 1182287386 /nfs/dbraw/zinc/28/73/86/1182287386.db2.gz FMMIORSSHFCHNR-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001731270973 1182287390 /nfs/dbraw/zinc/28/73/90/1182287390.db2.gz FMMIORSSHFCHNR-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001731556728 1182446882 /nfs/dbraw/zinc/44/68/82/1182446882.db2.gz BIGRKCQJCZVVON-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001731556728 1182446883 /nfs/dbraw/zinc/44/68/83/1182446883.db2.gz BIGRKCQJCZVVON-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732907584 1183179880 /nfs/dbraw/zinc/17/98/80/1183179880.db2.gz BLWWHNIKKVGWCE-IDTUSYRASA-N 1 3 277.412 1.146 10 30 CDEEHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001733426943 1183430337 /nfs/dbraw/zinc/43/03/37/1183430337.db2.gz LIUYERXQEXZNMO-MRXNPFEDSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001733938115 1183574880 /nfs/dbraw/zinc/57/48/80/1183574880.db2.gz NUKHVKCDGFVVSF-CABCVRRESA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001733938115 1183574881 /nfs/dbraw/zinc/57/48/81/1183574881.db2.gz NUKHVKCDGFVVSF-CABCVRRESA-N 1 3 279.428 1.437 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000876723269 1165900875 /nfs/dbraw/zinc/90/08/75/1165900875.db2.gz QZKQIBWXAWCNCE-WXHSDQCUSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000876723269 1165900880 /nfs/dbraw/zinc/90/08/80/1165900880.db2.gz QZKQIBWXAWCNCE-WXHSDQCUSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000876846963 1165926929 /nfs/dbraw/zinc/92/69/29/1165926929.db2.gz GXRAUEJJMDBSRO-MNOVXSKESA-N 1 3 259.781 1.186 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(CCC)CC[NH+](C)C ZINC000876939540 811371593 /nfs/dbraw/zinc/37/15/93/811371593.db2.gz HELMADABOLGLPY-NSHDSACASA-N 1 3 261.797 1.257 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876726926 811858176 /nfs/dbraw/zinc/85/81/76/811858176.db2.gz BSMSUURITGOWSS-ZYHUDNBSSA-N 1 3 271.792 1.057 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000876726926 811858178 /nfs/dbraw/zinc/85/81/78/811858178.db2.gz BSMSUURITGOWSS-ZYHUDNBSSA-N 1 3 271.792 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C[NH2+]C ZINC000876509878 814643969 /nfs/dbraw/zinc/64/39/69/814643969.db2.gz NTUAKOORURIAEP-NSHDSACASA-N 1 3 267.760 1.814 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000876723266 816820732 /nfs/dbraw/zinc/82/07/32/816820732.db2.gz QZKQIBWXAWCNCE-DRZSPHRISA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000876723266 816820737 /nfs/dbraw/zinc/82/07/37/816820737.db2.gz QZKQIBWXAWCNCE-DRZSPHRISA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266517820 895195742 /nfs/dbraw/zinc/19/57/42/895195742.db2.gz NYNPXANOPAUWPH-GJZGRUSLSA-N 1 3 281.444 1.587 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266517820 895195752 /nfs/dbraw/zinc/19/57/52/895195752.db2.gz NYNPXANOPAUWPH-GJZGRUSLSA-N 1 3 281.444 1.587 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001266878304 896265693 /nfs/dbraw/zinc/26/56/93/896265693.db2.gz QXNKNFKUARRBAX-AWEZNQCLSA-N 1 3 276.384 1.499 10 30 CDEEHO C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001266974475 896474589 /nfs/dbraw/zinc/47/45/89/896474589.db2.gz FGHPWEDWMAWUGK-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001267302978 897530852 /nfs/dbraw/zinc/53/08/52/897530852.db2.gz JGXBRFKQVCTEMB-GJZGRUSLSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001267302978 897530871 /nfs/dbraw/zinc/53/08/71/897530871.db2.gz JGXBRFKQVCTEMB-GJZGRUSLSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[N@@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001267604056 898781504 /nfs/dbraw/zinc/78/15/04/898781504.db2.gz JMEHMHMMEFCHLJ-UHFFFAOYSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[N@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001267604056 898781514 /nfs/dbraw/zinc/78/15/14/898781514.db2.gz JMEHMHMMEFCHLJ-UHFFFAOYSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267639087 899122869 /nfs/dbraw/zinc/12/28/69/899122869.db2.gz XYUBWWHUVMYGFX-HUUCEWRRSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267639087 899122874 /nfs/dbraw/zinc/12/28/74/899122874.db2.gz XYUBWWHUVMYGFX-HUUCEWRRSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001267957488 900069444 /nfs/dbraw/zinc/06/94/44/900069444.db2.gz BJBPWYDYWDQLAG-OAHLLOKOSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001481340049 900453991 /nfs/dbraw/zinc/45/39/91/900453991.db2.gz OFVCQBBXBVIZDB-UKRRQHHQSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001342739317 901177366 /nfs/dbraw/zinc/17/73/66/901177366.db2.gz UCJYPZFQLCURSA-HIFRSBDPSA-N 1 3 265.401 1.415 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001268248361 901665297 /nfs/dbraw/zinc/66/52/97/901665297.db2.gz ADPGSGGIVPXTOJ-CQSZACIVSA-N 1 3 269.433 1.539 10 30 CDEEHO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001268248361 901665302 /nfs/dbraw/zinc/66/53/02/901665302.db2.gz ADPGSGGIVPXTOJ-CQSZACIVSA-N 1 3 269.433 1.539 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001268266664 901702198 /nfs/dbraw/zinc/70/21/98/901702198.db2.gz DOYXSRBLWVOYLR-JKSUJKDBSA-N 1 3 291.439 1.273 10 30 CDEEHO CC#CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001268266664 901702209 /nfs/dbraw/zinc/70/22/09/901702209.db2.gz DOYXSRBLWVOYLR-JKSUJKDBSA-N 1 3 291.439 1.273 10 30 CDEEHO CC#CCNCCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001268500583 902409354 /nfs/dbraw/zinc/40/93/54/902409354.db2.gz XJZWKLTUSZPKEH-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001268522646 902502177 /nfs/dbraw/zinc/50/21/77/902502177.db2.gz MLANCYPFIPSETG-BEWKBBBFSA-N 1 3 279.428 1.697 10 30 CDEEHO C#CCNC[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482063232 902580202 /nfs/dbraw/zinc/58/02/02/902580202.db2.gz IOJPZBNJYCUYRZ-JKSUJKDBSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001268900621 903226179 /nfs/dbraw/zinc/22/61/79/903226179.db2.gz LGSANECVDYMKEZ-HOCLYGCPSA-N 1 3 295.471 1.975 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001270403818 904607809 /nfs/dbraw/zinc/60/78/09/904607809.db2.gz MVVXVHBJTCTLIO-OAHLLOKOSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1nc[nH]c1C ZINC001482399425 905298178 /nfs/dbraw/zinc/29/81/78/905298178.db2.gz YOVFBAZVNKVQMS-CQSZACIVSA-N 1 3 292.427 1.957 10 30 CDEEHO C=CC[NH2+]C/C=C/CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001483060734 909199839 /nfs/dbraw/zinc/19/98/39/909199839.db2.gz OYLRBRBCZJFPCA-MOEXGYKKSA-N 1 3 297.418 1.647 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001484978303 916354737 /nfs/dbraw/zinc/35/47/37/916354737.db2.gz JKTSWIJUJKWZPG-UONOGXRCSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001484978303 916354755 /nfs/dbraw/zinc/35/47/55/916354755.db2.gz JKTSWIJUJKWZPG-UONOGXRCSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001485064866 916443972 /nfs/dbraw/zinc/44/39/72/916443972.db2.gz BZJGFRYFOYFCRA-OAHLLOKOSA-N 1 3 293.455 1.970 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001491244519 936882031 /nfs/dbraw/zinc/88/20/31/936882031.db2.gz NENNWBYECZEQGI-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)N(C)C ZINC001489053511 926790939 /nfs/dbraw/zinc/79/09/39/926790939.db2.gz RYPFGZOIELYDAR-PMPSAXMXSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CC[NH2+][C@H]1CCCCCN(C(=O)CN(C)CCC)C1 ZINC001489239483 926850789 /nfs/dbraw/zinc/85/07/89/926850789.db2.gz FAZPNPDFQNPSPR-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+]CC=C)CC1 ZINC001277362429 942428955 /nfs/dbraw/zinc/42/89/55/942428955.db2.gz HDBQSPVUVUEPEK-OAHLLOKOSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001280458053 942446037 /nfs/dbraw/zinc/44/60/37/942446037.db2.gz MEWPHCAJWQKEFG-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001283173727 942844449 /nfs/dbraw/zinc/84/44/49/942844449.db2.gz NHOVAGPOZNKDTN-HNNXBMFYSA-N 1 3 293.455 1.759 10 30 CDEEHO CC#CC[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001283238034 942864012 /nfs/dbraw/zinc/86/40/12/942864012.db2.gz GBIWERWWANCGST-GJZGRUSLSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001265822982 944526398 /nfs/dbraw/zinc/52/63/98/944526398.db2.gz BNMZDDSMARVGIA-KBPBESRZSA-N 1 3 267.417 1.389 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001279039734 948632806 /nfs/dbraw/zinc/63/28/06/948632806.db2.gz YQKIJHKEUFQJPK-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001326420129 954372733 /nfs/dbraw/zinc/37/27/33/954372733.db2.gz YZUYNUNRQKVDGL-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001326433162 954380583 /nfs/dbraw/zinc/38/05/83/954380583.db2.gz WDXBOAPMJFUPOZ-OAHLLOKOSA-N 1 3 279.428 1.487 10 30 CDEEHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001316661024 954925559 /nfs/dbraw/zinc/92/55/59/954925559.db2.gz YXPVOZYFEXICQH-MJBXVCDLSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001491834227 955458938 /nfs/dbraw/zinc/45/89/38/955458938.db2.gz CGFFVBBAZVUWPH-CQSZACIVSA-N 1 3 281.444 1.588 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001492450391 955894187 /nfs/dbraw/zinc/89/41/87/955894187.db2.gz PKAHSOAZWLBWAZ-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001492450391 955894194 /nfs/dbraw/zinc/89/41/94/955894194.db2.gz PKAHSOAZWLBWAZ-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317153400 957309133 /nfs/dbraw/zinc/30/91/33/957309133.db2.gz QKEWGEHOUYJXEY-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317158588 957311702 /nfs/dbraw/zinc/31/17/02/957311702.db2.gz UUJWLSGOOXETQI-HUUCEWRRSA-N 1 3 279.428 1.034 10 30 CDEEHO C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317204731 957339998 /nfs/dbraw/zinc/33/99/98/957339998.db2.gz CYRGYQYCKIKBBR-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001317312729 957417482 /nfs/dbraw/zinc/41/74/82/957417482.db2.gz LBLUUCGUCBJGKZ-GJZGRUSLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001319186752 958418656 /nfs/dbraw/zinc/41/86/56/958418656.db2.gz XXXVUZMOTQLEAK-CQSZACIVSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CC(C)C)CC1 ZINC001319285779 958475152 /nfs/dbraw/zinc/47/51/52/958475152.db2.gz QTUGTLAEGSRULL-OAHLLOKOSA-N 1 3 293.455 1.330 10 30 CDEEHO C=CCN1CCC(NC(=O)CCCC[NH2+]C)CC1 ZINC001340220966 962823283 /nfs/dbraw/zinc/82/32/83/962823283.db2.gz YSHNBNBMMJBWOO-UHFFFAOYSA-N 1 3 253.390 1.143 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NCc1ccccc1C[NH2+]C ZINC001342059893 963623047 /nfs/dbraw/zinc/62/30/47/963623047.db2.gz HZPJSTCOYLKVSR-HNNXBMFYSA-N 1 3 275.396 1.706 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441371296 964480734 /nfs/dbraw/zinc/48/07/34/964480734.db2.gz QSUWTDOLTTXUAR-HAQNSBGRSA-N 1 3 273.808 1.175 10 30 CDEEHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001501147431 974542112 /nfs/dbraw/zinc/54/21/12/974542112.db2.gz XYBWIFQXPDXGND-KGLIPLIRSA-N 1 3 267.417 1.198 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC001501997895 974672360 /nfs/dbraw/zinc/67/23/60/974672360.db2.gz ZHGPYBXZCSQKOS-CQSZACIVSA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001570201279 1170111639 /nfs/dbraw/zinc/11/16/39/1170111639.db2.gz WSXUNGWCQJWTPL-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001570201279 1170111641 /nfs/dbraw/zinc/11/16/41/1170111641.db2.gz WSXUNGWCQJWTPL-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001570217878 1170113503 /nfs/dbraw/zinc/11/35/03/1170113503.db2.gz DDZNMQWWZRHYHB-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001570217878 1170113504 /nfs/dbraw/zinc/11/35/04/1170113504.db2.gz DDZNMQWWZRHYHB-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CC[NH+]1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001571646315 1170507234 /nfs/dbraw/zinc/50/72/34/1170507234.db2.gz QDHVTDQNUHKWDQ-CQSZACIVSA-N 1 3 279.428 1.177 10 30 CDEEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594436680 342899483 /nfs/dbraw/zinc/89/94/83/342899483.db2.gz FJOXARVOSSRABU-ZNMIVQPWSA-N 1 3 294.443 1.777 10 30 CDEEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594436680 342899484 /nfs/dbraw/zinc/89/94/84/342899484.db2.gz FJOXARVOSSRABU-ZNMIVQPWSA-N 1 3 294.443 1.777 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000594437454 342905862 /nfs/dbraw/zinc/90/58/62/342905862.db2.gz CFVZPSDQWWQBES-AWEZNQCLSA-N 1 3 290.367 1.374 10 30 CDEEHO C[C@H](CNC(=O)[C@@H](N)CCCCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000594440625 342907027 /nfs/dbraw/zinc/90/70/27/342907027.db2.gz HDCDBZRBCAREJJ-KFWWJZLASA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@H](CNC(=O)[C@@H](N)CCCCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000594440625 342907029 /nfs/dbraw/zinc/90/70/29/342907029.db2.gz HDCDBZRBCAREJJ-KFWWJZLASA-N 1 3 294.443 1.634 10 30 CDEEHO CCCC[NH+]1CCC(NC[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600723020 342244856 /nfs/dbraw/zinc/24/48/56/342244856.db2.gz UEEOIVGBAAWCFG-HNNXBMFYSA-N 1 3 279.428 1.895 10 30 CDEEHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000595938740 343202441 /nfs/dbraw/zinc/20/24/41/343202441.db2.gz RHHDBPKPQIMPKI-STQMWFEESA-N 1 3 280.416 1.387 10 30 CDEEHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000595938740 343202443 /nfs/dbraw/zinc/20/24/43/343202443.db2.gz RHHDBPKPQIMPKI-STQMWFEESA-N 1 3 280.416 1.387 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001660476874 1172219455 /nfs/dbraw/zinc/21/94/55/1172219455.db2.gz ZOVBFXLSPAEQOW-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001664394779 1172849844 /nfs/dbraw/zinc/84/98/44/1172849844.db2.gz HLKMJSGUSHGKBL-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[C@]1(C(=O)N(CCC)CCN(C)C)CCC[NH2+]1 ZINC000662823647 413550587 /nfs/dbraw/zinc/55/05/87/413550587.db2.gz RWYSJUHDJFVJAA-OAHLLOKOSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(CC)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665062711 413828564 /nfs/dbraw/zinc/82/85/64/413828564.db2.gz HPCVMOBOJCTJCO-AWEZNQCLSA-N 1 3 284.448 1.524 10 30 CDEEHO C=C(CC)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665062711 413828573 /nfs/dbraw/zinc/82/85/73/413828573.db2.gz HPCVMOBOJCTJCO-AWEZNQCLSA-N 1 3 284.448 1.524 10 30 CDEEHO C=CC[C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662299615 414625168 /nfs/dbraw/zinc/62/51/68/414625168.db2.gz SHZAKRCOTBITGH-UONOGXRCSA-N 1 3 250.386 1.796 10 30 CDEEHO C=CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662299615 414625171 /nfs/dbraw/zinc/62/51/71/414625171.db2.gz SHZAKRCOTBITGH-UONOGXRCSA-N 1 3 250.386 1.796 10 30 CDEEHO COCCN(Cc1sccc1C#CC[NH3+])[C@@H](C)COC ZINC000043684203 175092730 /nfs/dbraw/zinc/09/27/30/175092730.db2.gz BOSNXTDTJWOPGV-ZDUSSCGKSA-N 1 3 296.436 1.542 10 30 CDEEHO CC#CC[NH+]1CCC(CCNC(=O)CN(C)C(C)C)CC1 ZINC001666390214 1173131167 /nfs/dbraw/zinc/13/11/67/1173131167.db2.gz ZRHMNYNRNQSBIZ-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001666991256 1173218017 /nfs/dbraw/zinc/21/80/17/1173218017.db2.gz AKTOWSDCSKZCEH-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001667198275 1173244965 /nfs/dbraw/zinc/24/49/65/1173244965.db2.gz OSGFNOWLXJPJJJ-HUUCEWRRSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001669572253 1173571697 /nfs/dbraw/zinc/57/16/97/1173571697.db2.gz 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1180976951 /nfs/dbraw/zinc/97/69/51/1180976951.db2.gz NRBXQTLKMHMDFM-UHFFFAOYSA-N 1 3 265.401 1.263 10 30 CDEEHO C=CC[N@@H+]1CC=C(CNC(=O)CN(C)CCC)CC1 ZINC001718032396 1180976956 /nfs/dbraw/zinc/97/69/56/1180976956.db2.gz NRBXQTLKMHMDFM-UHFFFAOYSA-N 1 3 265.401 1.263 10 30 CDEEHO C=CCN1C[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)C1 ZINC001734154286 1183676641 /nfs/dbraw/zinc/67/66/41/1183676641.db2.gz LNFDCAPRWFIXIZ-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO CCN1CCC[C@@H](NC(=O)c2ccccc2C#CC[NH3+])C1 ZINC000049232053 521624019 /nfs/dbraw/zinc/62/40/19/521624019.db2.gz AKUPBPYOBBHOIB-OAHLLOKOSA-N 1 3 285.391 1.211 10 30 CDEEHO CN(Cc1ccccc1C#CC[NH3+])C[C@@H]1CCCO1 ZINC000049609673 523360023 /nfs/dbraw/zinc/36/00/23/523360023.db2.gz VQARENQAIGPMRZ-INIZCTEOSA-N 1 3 258.365 1.608 10 30 CDEEHO C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001689059464 1175090881 /nfs/dbraw/zinc/09/08/81/1175090881.db2.gz ZUZKZXYNAFYNIS-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO 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C=CC(C)(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001464612117 969801758 /nfs/dbraw/zinc/80/17/58/969801758.db2.gz UZKSXAVRNOEJNF-UHFFFAOYSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001501240696 974552568 /nfs/dbraw/zinc/55/25/68/974552568.db2.gz RLZQYAIAQNOHAM-GASCZTMLSA-N 1 3 279.428 1.295 10 30 CDEEHO C=CCC[N@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001501240696 974552578 /nfs/dbraw/zinc/55/25/78/974552578.db2.gz RLZQYAIAQNOHAM-GASCZTMLSA-N 1 3 279.428 1.295 10 30 CDEEHO C=C(C)CC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001501968969 974665999 /nfs/dbraw/zinc/66/59/99/974665999.db2.gz ZETOBHJAKBQMFC-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)CN1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001506752020 975217120 /nfs/dbraw/zinc/21/71/20/975217120.db2.gz NBMWMCUJONPHGE-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CN1C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001506752020 975217123 /nfs/dbraw/zinc/21/71/23/975217123.db2.gz NBMWMCUJONPHGE-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001506959214 975274333 /nfs/dbraw/zinc/27/43/33/975274333.db2.gz ZGVOZWQFNOBTPO-HNNXBMFYSA-N 1 3 297.418 1.222 10 30 CDEEHO C#CC[N@H+](C)C1CCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001506959214 975274337 /nfs/dbraw/zinc/27/43/37/975274337.db2.gz ZGVOZWQFNOBTPO-HNNXBMFYSA-N 1 3 297.418 1.222 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C ZINC001508039978 975583274 /nfs/dbraw/zinc/58/32/74/975583274.db2.gz VHBBPSVZSFZHAT-UONOGXRCSA-N 1 3 283.460 1.879 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001398686226 976107938 /nfs/dbraw/zinc/10/79/38/976107938.db2.gz JOIBSKWXYLWXAP-KBPBESRZSA-N 1 3 299.846 1.661 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001676679807 1174253811 /nfs/dbraw/zinc/25/38/11/1174253811.db2.gz DVYRPCHWVDYGOV-JKSUJKDBSA-N 1 3 291.439 1.321 10 30 CDEEHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H](N)CCCC#N ZINC000593912298 342856045 /nfs/dbraw/zinc/85/60/45/342856045.db2.gz CXJUMGLFLMMCLD-ZDUSSCGKSA-N 1 3 268.405 1.102 10 30 CDEEHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](N)CCCC#N ZINC000593912298 342856046 /nfs/dbraw/zinc/85/60/46/342856046.db2.gz CXJUMGLFLMMCLD-ZDUSSCGKSA-N 1 3 268.405 1.102 10 30 CDEEHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594438039 342905807 /nfs/dbraw/zinc/90/58/07/342905807.db2.gz MIUAZXVGXQONOM-CABCVRRESA-N 1 3 294.443 1.778 10 30 CDEEHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594438039 342905809 /nfs/dbraw/zinc/90/58/09/342905809.db2.gz MIUAZXVGXQONOM-CABCVRRESA-N 1 3 294.443 1.778 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000594424425 342903886 /nfs/dbraw/zinc/90/38/86/342903886.db2.gz DJGVPIITYSTKDN-CYBMUJFWSA-N 1 3 280.416 1.566 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000594424454 342904078 /nfs/dbraw/zinc/90/40/78/342904078.db2.gz DTMUXSYKNFDDMD-OAHLLOKOSA-N 1 3 294.443 1.826 10 30 CDEEHO C=CC[C@@]1(C(=O)NCCN2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662680156 413298549 /nfs/dbraw/zinc/29/85/49/413298549.db2.gz GLRYBMAETVXHGV-HOCLYGCPSA-N 1 3 279.428 1.533 10 30 CDEEHO [NH3+]CC#Cc1ccc(CN2CCC[C@@H](O)C2)s1 ZINC000043683964 175092157 /nfs/dbraw/zinc/09/21/57/175092157.db2.gz KRISYPSITNYBND-LLVKDONJSA-N 1 3 250.367 1.015 10 30 CDEEHO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#CCN)cc2)C1 ZINC000044560312 175204073 /nfs/dbraw/zinc/20/40/73/175204073.db2.gz RTDPMXODUUKJNZ-OAHLLOKOSA-N 1 3 285.391 1.068 10 30 CDEEHO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#CCN)cc2)C1 ZINC000044560312 175204074 /nfs/dbraw/zinc/20/40/74/175204074.db2.gz RTDPMXODUUKJNZ-OAHLLOKOSA-N 1 3 285.391 1.068 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001666403527 1173132367 /nfs/dbraw/zinc/13/23/67/1173132367.db2.gz IJFVSBIQUMYDJT-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C[NH+]=C(NC1CCC1)N[C@H]1CCN(CC2CCCC2)C1 ZINC000262756789 330029714 /nfs/dbraw/zinc/02/97/14/330029714.db2.gz BRKGHBOUZSHAFI-HNNXBMFYSA-N 1 3 278.444 1.968 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001698861597 1175967048 /nfs/dbraw/zinc/96/70/48/1175967048.db2.gz QQRCOYXHUGQKHF-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001482555869 1160390340 /nfs/dbraw/zinc/39/03/40/1160390340.db2.gz CXOAMKOULXLXLN-JKSUJKDBSA-N 1 3 293.455 1.613 10 30 CDEEHO C=C(C)[C@@H](CO)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000680432334 483618794 /nfs/dbraw/zinc/61/87/94/483618794.db2.gz ZTDQSLLEWZQVIH-MRXNPFEDSA-N 1 3 295.471 1.273 10 30 CDEEHO C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)N(C)C)C1 ZINC001717551977 1180736743 /nfs/dbraw/zinc/73/67/43/1180736743.db2.gz DITAKWILPRJOFV-GXTWGEPZSA-N 1 3 267.417 1.339 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000899941203 622562432 /nfs/dbraw/zinc/56/24/32/622562432.db2.gz BKSYBCHBUCSCQK-INIZCTEOSA-N 1 3 289.423 1.913 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000900585066 623295415 /nfs/dbraw/zinc/29/54/15/623295415.db2.gz HLBSFYHILVNVCH-OAHLLOKOSA-N 1 3 297.443 1.064 10 30 CDEEHO C=C(C)C[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001691346435 1159028084 /nfs/dbraw/zinc/02/80/84/1159028084.db2.gz YKAPYSJHBAGIAZ-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001566909692 1168463139 /nfs/dbraw/zinc/46/31/39/1168463139.db2.gz CWGRDEHBJBQDNU-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567054330 1168535892 /nfs/dbraw/zinc/53/58/92/1168535892.db2.gz PSQVLJJGCPWOIP-BBRMVZONSA-N 1 3 299.434 1.869 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001662651286 1172577044 /nfs/dbraw/zinc/57/70/44/1172577044.db2.gz WXFGRJZCGWVJAR-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C/C=C\Cl)CC1 ZINC001690650561 1175536102 /nfs/dbraw/zinc/53/61/02/1175536102.db2.gz MSGKSGWIOFMOAA-LLPBQKLSSA-N 1 3 297.830 1.178 10 30 CDEEHO C#CCNC/C=C/CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699317451 1176220180 /nfs/dbraw/zinc/22/01/80/1176220180.db2.gz KEVOQCBUYZSZCO-CMDGGOBGSA-N 1 3 291.439 1.394 10 30 CDEEHO C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCCN1C(C)C ZINC001700517238 1176991419 /nfs/dbraw/zinc/99/14/19/1176991419.db2.gz KMXUUVAYFXGUCZ-JKSUJKDBSA-N 1 3 293.455 1.757 10 30 CDEEHO C#CC[NH2+]C1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001713290734 1178469017 /nfs/dbraw/zinc/46/90/17/1178469017.db2.gz NCEBFTWJYRPFFK-UHFFFAOYSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCCC=C)CC1 ZINC001714309778 1179079686 /nfs/dbraw/zinc/07/96/86/1179079686.db2.gz RDTWZGIQNIDVSJ-OAHLLOKOSA-N 1 3 291.439 1.392 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001715159984 1179566404 /nfs/dbraw/zinc/56/64/04/1179566404.db2.gz IKTNAZZKJYYLES-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001715318923 1179620606 /nfs/dbraw/zinc/62/06/06/1179620606.db2.gz ZEWIHERUXFVDOC-ZIAGYGMSSA-N 1 3 288.395 1.192 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001715761354 1179793810 /nfs/dbraw/zinc/79/38/10/1179793810.db2.gz HHCQPRBZTHGFRP-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001715761354 1179793813 /nfs/dbraw/zinc/79/38/13/1179793813.db2.gz HHCQPRBZTHGFRP-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001716368432 1180170772 /nfs/dbraw/zinc/17/07/72/1180170772.db2.gz RZAQTBARQCAQQH-MUHKLVGJSA-N 1 3 277.412 1.002 10 30 CDEEHO C=C(C)CC[NH2+]C1(CNC(=O)CN(C)C(C)C)CC1 ZINC001716701301 1180379342 /nfs/dbraw/zinc/37/93/42/1180379342.db2.gz ZPEHGCYDUJBDAH-UHFFFAOYSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(C)CN1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001716851080 1180441055 /nfs/dbraw/zinc/44/10/55/1180441055.db2.gz KGJSYZCURSUIMK-OAHLLOKOSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CN1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001716851080 1180441057 /nfs/dbraw/zinc/44/10/57/1180441057.db2.gz KGJSYZCURSUIMK-OAHLLOKOSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001717098779 1180531003 /nfs/dbraw/zinc/53/10/03/1180531003.db2.gz IEVAFYSMHJXLHZ-OAHLLOKOSA-N 1 3 295.471 1.979 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001717423734 1180664503 /nfs/dbraw/zinc/66/45/03/1180664503.db2.gz WSMIBFKPIVHWLD-ZIAGYGMSSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCC[NH2+]CCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001725385092 1181984230 /nfs/dbraw/zinc/98/42/30/1181984230.db2.gz AHGCGFZLIGFZBF-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CC[NH2+]CCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001725411472 1181991563 /nfs/dbraw/zinc/99/15/63/1181991563.db2.gz JDHSJWJJEYRSGM-LLVKDONJSA-N 1 3 264.373 1.321 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)CN(C)CCC)C(C)(C)C ZINC001725753140 1182121282 /nfs/dbraw/zinc/12/12/82/1182121282.db2.gz TTWSFZHOCMDIJU-ZDUSSCGKSA-N 1 3 269.433 1.635 10 30 CDEEHO C#CCC[N@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001725818782 1182141348 /nfs/dbraw/zinc/14/13/48/1182141348.db2.gz XCSHVDDPPRFTCT-UHFFFAOYSA-N 1 3 289.423 1.242 10 30 CDEEHO C#CCC[N@@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001725818782 1182141350 /nfs/dbraw/zinc/14/13/50/1182141350.db2.gz XCSHVDDPPRFTCT-UHFFFAOYSA-N 1 3 289.423 1.242 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731270972 1182286209 /nfs/dbraw/zinc/28/62/09/1182286209.db2.gz FMMIORSSHFCHNR-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001731270972 1182286214 /nfs/dbraw/zinc/28/62/14/1182286214.db2.gz FMMIORSSHFCHNR-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCN1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001732164658 1182824016 /nfs/dbraw/zinc/82/40/16/1182824016.db2.gz GFACBFBJSCMLOX-LSDHHAIUSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCN1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001732164658 1182824021 /nfs/dbraw/zinc/82/40/21/1182824021.db2.gz GFACBFBJSCMLOX-LSDHHAIUSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732436511 1182965309 /nfs/dbraw/zinc/96/53/09/1182965309.db2.gz JQYVFFBAUSKSJS-CJNGLKHVSA-N 1 3 299.434 1.821 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001732600859 1183042879 /nfs/dbraw/zinc/04/28/79/1183042879.db2.gz WTKPRCHIHUALNQ-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001732600859 1183042885 /nfs/dbraw/zinc/04/28/85/1183042885.db2.gz WTKPRCHIHUALNQ-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001733664407 1183493179 /nfs/dbraw/zinc/49/31/79/1183493179.db2.gz AEZFRDALAMLJLH-OAHLLOKOSA-N 1 3 293.455 1.426 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001733970687 1183594482 /nfs/dbraw/zinc/59/44/82/1183594482.db2.gz HZOKCZUCDMLZIX-LSDHHAIUSA-N 1 3 293.455 1.757 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001734404591 1183764435 /nfs/dbraw/zinc/76/44/35/1183764435.db2.gz BCFUFBVAUSIPEI-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000876750681 822713262 /nfs/dbraw/zinc/71/32/62/822713262.db2.gz XXZSKSDWZLDBQW-GHMZBOCLSA-N 1 3 261.797 1.303 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000876750681 822713266 /nfs/dbraw/zinc/71/32/66/822713266.db2.gz XXZSKSDWZLDBQW-GHMZBOCLSA-N 1 3 261.797 1.303 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000876532933 824316077 /nfs/dbraw/zinc/31/60/77/824316077.db2.gz NCJPOSXKQFWRDQ-NEPJUHHUSA-N 1 3 273.808 1.480 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000876947766 826353467 /nfs/dbraw/zinc/35/34/67/826353467.db2.gz BDMFRHNINQNYTF-ADEWGFFLSA-N 1 3 273.808 1.432 10 30 CDEEHO C#C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417598 827397755 /nfs/dbraw/zinc/39/77/55/827397755.db2.gz AYXRTPNRSWSVQM-GJZGRUSLSA-N 1 3 264.413 1.877 10 30 CDEEHO C#C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417598 827397763 /nfs/dbraw/zinc/39/77/63/827397763.db2.gz AYXRTPNRSWSVQM-GJZGRUSLSA-N 1 3 264.413 1.877 10 30 CDEEHO N#Cc1ccc2c(c1)C[C@H](N[C@@H]1C[C@H]([NH3+])C13CCC3)C2 ZINC000925728637 827841469 /nfs/dbraw/zinc/84/14/69/827841469.db2.gz MIMFWWDTJVJPBP-OWCLPIDISA-N 1 3 267.376 1.885 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001569118787 1167553156 /nfs/dbraw/zinc/55/31/56/1167553156.db2.gz GWRVZJJDOHVRMH-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001569118787 1167553162 /nfs/dbraw/zinc/55/31/62/1167553162.db2.gz GWRVZJJDOHVRMH-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001266438702 894893289 /nfs/dbraw/zinc/89/32/89/894893289.db2.gz DAPXNRQZVIFGOO-CABCVRRESA-N 1 3 279.428 1.080 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266545958 895300482 /nfs/dbraw/zinc/30/04/82/895300482.db2.gz RWTFEWLPCCOBPF-KBPBESRZSA-N 1 3 267.417 1.197 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266545958 895300498 /nfs/dbraw/zinc/30/04/98/895300498.db2.gz RWTFEWLPCCOBPF-KBPBESRZSA-N 1 3 267.417 1.197 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001267175072 897012289 /nfs/dbraw/zinc/01/22/89/897012289.db2.gz PIESKLGGJRXAMG-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001267175072 897012298 /nfs/dbraw/zinc/01/22/98/897012298.db2.gz PIESKLGGJRXAMG-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[NH2+][C@H](C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001567633661 1168897236 /nfs/dbraw/zinc/89/72/36/1168897236.db2.gz MKBPXMMZZJFDAM-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001481111712 898877736 /nfs/dbraw/zinc/87/77/36/898877736.db2.gz JWVHTPIWFFPHMU-HNNXBMFYSA-N 1 3 295.471 1.979 10 30 CDEEHO 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ZINC001282890163 942767270 /nfs/dbraw/zinc/76/72/70/942767270.db2.gz WKXXYDZOFYSCPF-JONQDZQNSA-N 1 3 293.455 1.443 10 30 CDEEHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001282890163 942767272 /nfs/dbraw/zinc/76/72/72/942767272.db2.gz WKXXYDZOFYSCPF-JONQDZQNSA-N 1 3 293.455 1.443 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001284001535 943044136 /nfs/dbraw/zinc/04/41/36/943044136.db2.gz BPLAGCZNEMNDQZ-GJZGRUSLSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001277945803 944159063 /nfs/dbraw/zinc/15/90/63/944159063.db2.gz IPFZROIKWSPLIA-STQMWFEESA-N 1 3 278.400 1.743 10 30 CDEEHO C=C(C)CN1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001264726352 944171043 /nfs/dbraw/zinc/17/10/43/944171043.db2.gz RJPDXLJCOSDVAE-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)CN1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001264726352 944171047 /nfs/dbraw/zinc/17/10/47/944171047.db2.gz RJPDXLJCOSDVAE-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCN1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265589566 944439039 /nfs/dbraw/zinc/43/90/39/944439039.db2.gz VJLBXKIUORFPJO-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001265782421 944507090 /nfs/dbraw/zinc/50/70/90/944507090.db2.gz XQWCSCHICCHNJN-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001278326404 946191290 /nfs/dbraw/zinc/19/12/90/946191290.db2.gz QEKQOWJUUAUWEU-ZIAGYGMSSA-N 1 3 267.417 1.482 10 30 CDEEHO C#CCC[N@@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001278900242 948153039 /nfs/dbraw/zinc/15/30/39/948153039.db2.gz SDZLPNWSYWUSTG-OAHLLOKOSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[N@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001278900242 948153043 /nfs/dbraw/zinc/15/30/43/948153043.db2.gz SDZLPNWSYWUSTG-OAHLLOKOSA-N 1 3 279.428 1.273 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001480173214 971612649 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C#CCCN1CC[C@@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001493959299 972145818 /nfs/dbraw/zinc/14/58/18/972145818.db2.gz FJWFJDJGOALORB-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H](CC)N(C)C ZINC001366465838 956852974 /nfs/dbraw/zinc/85/29/74/956852974.db2.gz AQZCFJRNSUHLRN-VXGBXAGGSA-N 1 3 275.824 1.564 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001317195201 957335199 /nfs/dbraw/zinc/33/51/99/957335199.db2.gz NOJJZJABVRVUEJ-OAHLLOKOSA-N 1 3 290.411 1.889 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001320154352 958974676 /nfs/dbraw/zinc/97/46/76/958974676.db2.gz NPLSIAWTJIMEBR-HUUCEWRRSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001479876348 965255887 /nfs/dbraw/zinc/25/58/87/965255887.db2.gz QFNMJXAHSLNGDT-OAHLLOKOSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001479876348 965255898 /nfs/dbraw/zinc/25/58/98/965255898.db2.gz QFNMJXAHSLNGDT-OAHLLOKOSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001569639136 1169947628 /nfs/dbraw/zinc/94/76/28/1169947628.db2.gz NDNQZJAHGINRRO-GDBMZVCRSA-N 1 3 297.418 1.270 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001569639136 1169947633 /nfs/dbraw/zinc/94/76/33/1169947633.db2.gz NDNQZJAHGINRRO-GDBMZVCRSA-N 1 3 297.418 1.270 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001497969473 973593944 /nfs/dbraw/zinc/59/39/44/973593944.db2.gz WTTALFGBGQEJRX-OLZOCXBDSA-N 1 3 255.406 1.243 10 30 CDEEHO C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498189685 973734413 /nfs/dbraw/zinc/73/44/13/973734413.db2.gz FLSBTURYMHBIBO-DOTOQJQBSA-N 1 3 299.418 1.084 10 30 CDEEHO C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498189685 973734419 /nfs/dbraw/zinc/73/44/19/973734419.db2.gz FLSBTURYMHBIBO-DOTOQJQBSA-N 1 3 299.418 1.084 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001498367338 973864280 /nfs/dbraw/zinc/86/42/80/973864280.db2.gz VQEGAAVFSNOFED-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001498367338 973864289 /nfs/dbraw/zinc/86/42/89/973864289.db2.gz VQEGAAVFSNOFED-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001499845004 974313133 /nfs/dbraw/zinc/31/31/33/974313133.db2.gz TYQGTYCTQWDRGZ-HUUCEWRRSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001501153812 974542180 /nfs/dbraw/zinc/54/21/80/974542180.db2.gz WIRGCTBRPWWTBY-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001501617849 974609157 /nfs/dbraw/zinc/60/91/57/974609157.db2.gz GAIQSGMDRVFNMV-JKSUJKDBSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001674157006 1173918916 /nfs/dbraw/zinc/91/89/16/1173918916.db2.gz YQEFRQYHJLXYAF-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001674157006 1173918922 /nfs/dbraw/zinc/91/89/22/1173918922.db2.gz YQEFRQYHJLXYAF-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+][C@H]1CN(C(=O)[C@@H](F)CN(CC)CC)CC1(C)C ZINC001677004816 1174307586 /nfs/dbraw/zinc/30/75/86/1174307586.db2.gz ZEIIBJCLFCBFGZ-KBPBESRZSA-N 1 3 297.418 1.126 10 30 CDEEHO CC#CC[NH+]1CCC([C@@H](C)NC(=O)CN(C)CCC)CC1 ZINC001677341954 1174352417 /nfs/dbraw/zinc/35/24/17/1174352417.db2.gz IOWHSGHKMCGPBJ-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001570009939 1170058612 /nfs/dbraw/zinc/05/86/12/1170058612.db2.gz QCNPTLZSVGUOFO-MRXNPFEDSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001656241083 1171799362 /nfs/dbraw/zinc/79/93/62/1171799362.db2.gz MVXUJCLZYRGYNO-KLHDSHLOSA-N 1 3 293.455 1.920 10 30 CDEEHO COC[C@H](CCC[NH3+])N[C@H](C)c1cccc(C#N)c1 ZINC000591570964 342637325 /nfs/dbraw/zinc/63/73/25/342637325.db2.gz LPTCLXNJLAXKQR-DOMZBBRYSA-N 1 3 261.369 1.963 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000594438452 342906349 /nfs/dbraw/zinc/90/63/49/342906349.db2.gz INKSFKVIWFDJSN-CABCVRRESA-N 1 3 292.427 1.342 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626970285 367107439 /nfs/dbraw/zinc/10/74/39/367107439.db2.gz JKMHFTAHJNLMQO-JSGCOSHPSA-N 1 3 280.416 1.077 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001662219585 1172509483 /nfs/dbraw/zinc/50/94/83/1172509483.db2.gz KOIBOACKYOTPSA-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001662641589 1172573133 /nfs/dbraw/zinc/57/31/33/1172573133.db2.gz SNIQBEMWMBDYQU-ZDUSSCGKSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236660812 390918234 /nfs/dbraw/zinc/91/82/34/390918234.db2.gz QKYXNXDAEZWEEB-BPUTZDHNSA-N 1 3 291.439 1.674 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001663524314 1172715710 /nfs/dbraw/zinc/71/57/10/1172715710.db2.gz XJSIKBICIGJFPW-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001663524314 1172715706 /nfs/dbraw/zinc/71/57/06/1172715706.db2.gz XJSIKBICIGJFPW-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423199034 397602540 /nfs/dbraw/zinc/60/25/40/397602540.db2.gz AFYROINKRSACGA-GFCCVEGCSA-N 1 3 276.359 1.253 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)[C@@H]1CCCCN1CC)C(C)C ZINC001664557435 1172869023 /nfs/dbraw/zinc/86/90/23/1172869023.db2.gz CIUFIWRIWFOGEA-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)[C@@H]1CCCCN1CC)C(C)C ZINC001664557435 1172869031 /nfs/dbraw/zinc/86/90/31/1172869031.db2.gz CIUFIWRIWFOGEA-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO CN1CCCC[C@H]1CNC(=O)c1ccccc1C#CC[NH3+] ZINC000044566223 175208275 /nfs/dbraw/zinc/20/82/75/175208275.db2.gz FWYUTQKLOFFKTO-HNNXBMFYSA-N 1 3 285.391 1.211 10 30 CDEEHO CC(C)N[C@](C)(C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000045182211 175325848 /nfs/dbraw/zinc/32/58/48/175325848.db2.gz BTELJMQURYGEIY-INIZCTEOSA-N 1 3 280.460 1.930 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001666120023 1173111416 /nfs/dbraw/zinc/11/14/16/1173111416.db2.gz LRKDBQOMIHKRDJ-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001666619619 1173162269 /nfs/dbraw/zinc/16/22/69/1173162269.db2.gz HFHNPHKWZJDRPQ-AWEZNQCLSA-N 1 3 283.460 1.882 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001668581145 1173429429 /nfs/dbraw/zinc/42/94/29/1173429429.db2.gz DIFNTIQPIKZFBK-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001668581145 1173429433 /nfs/dbraw/zinc/42/94/33/1173429433.db2.gz DIFNTIQPIKZFBK-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCCN1CC ZINC001668652464 1173435329 /nfs/dbraw/zinc/43/53/29/1173435329.db2.gz QFKYWOTWUGJUOJ-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)CC[NH2+]C/C=C/CNC(=O)Cc1nc[nH]c1C ZINC001669162781 1173513140 /nfs/dbraw/zinc/51/31/40/1173513140.db2.gz RBKZUNNAJQRYLE-SNAWJCMRSA-N 1 3 276.384 1.489 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001672995109 1173815953 /nfs/dbraw/zinc/81/59/53/1173815953.db2.gz UAIVBHBXHMYQSY-SHTZXODSSA-N 1 3 279.428 1.224 10 30 CDEEHO C[C@@H]1CCC[C@](CNC(=[NH2+])N2CCO[C@H](C)C2)(N(C)C)C1 ZINC000262473998 330015928 /nfs/dbraw/zinc/01/59/28/330015928.db2.gz PMWCUDJWCRQKSJ-FMKPAKJESA-N 1 3 296.459 1.532 10 30 CDEEHO C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001713423235 1178554127 /nfs/dbraw/zinc/55/41/27/1178554127.db2.gz MGQQEYDZFYIFJB-CABCVRRESA-N 1 3 281.444 1.921 10 30 CDEEHO C#CCC[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001734252108 1183704729 /nfs/dbraw/zinc/70/47/29/1183704729.db2.gz FWVLJVFKXQEZJS-GJZGRUSLSA-N 1 3 279.428 1.226 10 30 CDEEHO COc1ccc(C[N@@H+]2CC[C@@H](C)C2)cc1C#CCN ZINC000049609467 524036729 /nfs/dbraw/zinc/03/67/29/524036729.db2.gz GVOCESTWBDFQLB-CYBMUJFWSA-N 1 3 258.365 1.847 10 30 CDEEHO COc1ccc(C[N@H+]2CC[C@@H](C)C2)cc1C#CCN ZINC000049609467 524036732 /nfs/dbraw/zinc/03/67/32/524036732.db2.gz GVOCESTWBDFQLB-CYBMUJFWSA-N 1 3 258.365 1.847 10 30 CDEEHO Cc1ccc(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1C#N ZINC000925836841 617866986 /nfs/dbraw/zinc/86/69/86/617866986.db2.gz DTQCKGNJRPSUCW-IRXDYDNUSA-N 1 3 285.391 1.723 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000900659991 623340555 /nfs/dbraw/zinc/34/05/55/623340555.db2.gz BXYOZKCPOJTCOW-CQSZACIVSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CCC[N@H+](CC)CCNC(=O)Cc1nc[nH]c1C ZINC001691050067 1158832547 /nfs/dbraw/zinc/83/25/47/1158832547.db2.gz LJNUUGGDXJXTHA-UHFFFAOYSA-N 1 3 264.373 1.275 10 30 CDEEHO C=CCC[N@@H+](CC)CCNC(=O)Cc1nc[nH]c1C ZINC001691050067 1158832559 /nfs/dbraw/zinc/83/25/59/1158832559.db2.gz LJNUUGGDXJXTHA-UHFFFAOYSA-N 1 3 264.373 1.275 10 30 CDEEHO C#CCN1CCC(C(=O)N(C)CC[NH2+]C[C@H](F)CC)CC1 ZINC001731988710 1159554977 /nfs/dbraw/zinc/55/49/77/1159554977.db2.gz ZREJPTZTVDQUOQ-OAHLLOKOSA-N 1 3 297.418 1.128 10 30 CDEEHO C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001570964011 1170325314 /nfs/dbraw/zinc/32/53/14/1170325314.db2.gz BRYWHQSHKWANBR-PHZGNYQRSA-N 1 3 293.455 1.587 10 30 CDEEHO C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001570964011 1170325317 /nfs/dbraw/zinc/32/53/17/1170325317.db2.gz BRYWHQSHKWANBR-PHZGNYQRSA-N 1 3 293.455 1.587 10 30 CDEEHO CC#CC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001571664638 1170514582 /nfs/dbraw/zinc/51/45/82/1170514582.db2.gz PLWVHDKTSCKVRV-NRXISQOPSA-N 1 3 279.428 1.175 10 30 CDEEHO C=CCC[NH2+]C/C=C/CNC(=O)C1(N(C)C)CCC1 ZINC001668864577 1173474174 /nfs/dbraw/zinc/47/41/74/1173474174.db2.gz IHRQEURZZBQSMD-VOTSOKGWSA-N 1 3 265.401 1.309 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001675360206 1174106951 /nfs/dbraw/zinc/10/69/51/1174106951.db2.gz USOYJROJIOPCAG-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001676250316 1174196079 /nfs/dbraw/zinc/19/60/79/1174196079.db2.gz WOJRLQJNTIBLTH-HOCLYGCPSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001698963711 1175998174 /nfs/dbraw/zinc/99/81/74/1175998174.db2.gz VPDACCWGEVTVNJ-OAHLLOKOSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699310484 1176212382 /nfs/dbraw/zinc/21/23/82/1176212382.db2.gz YKQHDIKAHBURNC-WLMCBFPDSA-N 1 3 295.402 1.094 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001699310484 1176212388 /nfs/dbraw/zinc/21/23/88/1176212388.db2.gz YKQHDIKAHBURNC-WLMCBFPDSA-N 1 3 295.402 1.094 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CC=C(C)C)CC1 ZINC001699388688 1176349898 /nfs/dbraw/zinc/34/98/98/1176349898.db2.gz VQYPDEGBMPULES-OAHLLOKOSA-N 1 3 291.439 1.392 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC=C)CC1 ZINC001700486945 1176975373 /nfs/dbraw/zinc/97/53/73/1176975373.db2.gz HMKUCGQXOFIHCR-HNNXBMFYSA-N 1 3 291.439 1.344 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC=C)CC1 ZINC001700486945 1176975380 /nfs/dbraw/zinc/97/53/80/1176975380.db2.gz HMKUCGQXOFIHCR-HNNXBMFYSA-N 1 3 291.439 1.344 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001713134540 1178386816 /nfs/dbraw/zinc/38/68/16/1178386816.db2.gz PECSFTFOQRNQPY-CVEARBPZSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001713134540 1178386825 /nfs/dbraw/zinc/38/68/25/1178386825.db2.gz PECSFTFOQRNQPY-CVEARBPZSA-N 1 3 293.455 1.685 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001713329028 1178500688 /nfs/dbraw/zinc/50/06/88/1178500688.db2.gz XGRAYZVAURSVPH-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001714075709 1178961042 /nfs/dbraw/zinc/96/10/42/1178961042.db2.gz ZHBWULRQJPGJJR-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001714272352 1179057915 /nfs/dbraw/zinc/05/79/15/1179057915.db2.gz HYCOLEWDYMISDL-KGLIPLIRSA-N 1 3 267.417 1.389 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001714569658 1179227275 /nfs/dbraw/zinc/22/72/75/1179227275.db2.gz ANDSLDPCNKDTDW-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN(C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714572114 1179227999 /nfs/dbraw/zinc/22/79/99/1179227999.db2.gz KNFBUKUXVKMBKW-UHFFFAOYSA-N 1 3 275.396 1.596 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001715008028 1179506298 /nfs/dbraw/zinc/50/62/98/1179506298.db2.gz DRPFVAAUBIRVNP-ZBFHGGJFSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001715500403 1179685286 /nfs/dbraw/zinc/68/52/86/1179685286.db2.gz FXVXSDMVDARNOM-OAHLLOKOSA-N 1 3 295.471 1.718 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001724974779 1181812993 /nfs/dbraw/zinc/81/29/93/1181812993.db2.gz OXSCQSVKEMDGAW-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001725039579 1181831384 /nfs/dbraw/zinc/83/13/84/1181831384.db2.gz DFTBXTWEEVTCJP-OWCLPIDISA-N 1 3 293.455 1.826 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001725039579 1181831386 /nfs/dbraw/zinc/83/13/86/1181831386.db2.gz DFTBXTWEEVTCJP-OWCLPIDISA-N 1 3 293.455 1.826 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001725361221 1181974046 /nfs/dbraw/zinc/97/40/46/1181974046.db2.gz SGZWMIBAGXMWOQ-SHTZXODSSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001725599021 1182068435 /nfs/dbraw/zinc/06/84/35/1182068435.db2.gz UKBPZTZPMABPTO-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001725694323 1182099845 /nfs/dbraw/zinc/09/98/45/1182099845.db2.gz ZCWWLUJXZFKZIQ-HZPDHXFCSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001731548812 1182445363 /nfs/dbraw/zinc/44/53/63/1182445363.db2.gz HUZPLQSEFULVKM-CYBMUJFWSA-N 1 3 262.357 1.109 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001732059157 1182745477 /nfs/dbraw/zinc/74/54/77/1182745477.db2.gz MHSNCFCNQYDCCE-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001732059157 1182745481 /nfs/dbraw/zinc/74/54/81/1182745481.db2.gz MHSNCFCNQYDCCE-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCNCc1ccc(CNC(=O)CCC[NH+](C)C)cc1 ZINC001732319331 1182904307 /nfs/dbraw/zinc/90/43/07/1182904307.db2.gz OGPRRIFYYFILCY-UHFFFAOYSA-N 1 3 287.407 1.367 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001732359325 1182925137 /nfs/dbraw/zinc/92/51/37/1182925137.db2.gz BMKWEKZWUBZDRW-KGLIPLIRSA-N 1 3 267.417 1.246 10 30 CDEEHO C=CC[NH2+]C[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001732372032 1182932866 /nfs/dbraw/zinc/93/28/66/1182932866.db2.gz LIVRIPPTGOOEPV-AWEZNQCLSA-N 1 3 289.423 1.890 10 30 CDEEHO C#CCNC1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001733255395 1183372914 /nfs/dbraw/zinc/37/29/14/1183372914.db2.gz BHNYBDDVQLCYKH-MRXNPFEDSA-N 1 3 295.402 1.071 10 30 CDEEHO C#CCNC1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001733255395 1183372917 /nfs/dbraw/zinc/37/29/17/1183372917.db2.gz BHNYBDDVQLCYKH-MRXNPFEDSA-N 1 3 295.402 1.071 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001733549378 1183463807 /nfs/dbraw/zinc/46/38/07/1183463807.db2.gz JNROYHCARHEORX-GJZGRUSLSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCC1 ZINC001733721757 1183509196 /nfs/dbraw/zinc/50/91/96/1183509196.db2.gz QMGWIUDUIGDYEJ-UHFFFAOYSA-N 1 3 281.444 1.779 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001733759940 1183522485 /nfs/dbraw/zinc/52/24/85/1183522485.db2.gz IPGTXOWGJHXTOP-CABCVRRESA-N 1 3 299.434 1.823 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001733759940 1183522488 /nfs/dbraw/zinc/52/24/88/1183522488.db2.gz IPGTXOWGJHXTOP-CABCVRRESA-N 1 3 299.434 1.823 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001733988307 1183603679 /nfs/dbraw/zinc/60/36/79/1183603679.db2.gz YCZSSTVWDXJJKQ-ZIAGYGMSSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CC[N@@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001734040440 1183631558 /nfs/dbraw/zinc/63/15/58/1183631558.db2.gz GMGJHHYGVGNZJV-GFCCVEGCSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[N@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001734040440 1183631562 /nfs/dbraw/zinc/63/15/62/1183631562.db2.gz GMGJHHYGVGNZJV-GFCCVEGCSA-N 1 3 253.390 1.093 10 30 CDEEHO C#CCN1CCC([C@@H](C)NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001734578494 1183832577 /nfs/dbraw/zinc/83/25/77/1183832577.db2.gz XJEIBDSISPQRQD-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC([C@@H](C)NC(=O)CC[N@H+](C)CCC)CC1 ZINC001734578494 1183832588 /nfs/dbraw/zinc/83/25/88/1183832588.db2.gz XJEIBDSISPQRQD-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001635757720 1166618645 /nfs/dbraw/zinc/61/86/45/1166618645.db2.gz JLXYEMMQCLIQGZ-CQSZACIVSA-N 1 3 267.417 1.295 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001635757720 1166618650 /nfs/dbraw/zinc/61/86/50/1166618650.db2.gz JLXYEMMQCLIQGZ-CQSZACIVSA-N 1 3 267.417 1.295 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001691743036 1166888080 /nfs/dbraw/zinc/88/80/80/1166888080.db2.gz TYGCXBBJHQGFPI-KFWWJZLASA-N 1 3 279.428 1.389 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000876970340 828849710 /nfs/dbraw/zinc/84/97/10/828849710.db2.gz PCCUTCMTSXYVKC-OLZOCXBDSA-N 1 3 287.835 1.693 10 30 CDEEHO C[N@@H+]1C[C@@H]2CN(CCCSCC#N)C[C@]2(C)C1 ZINC000933740068 829018711 /nfs/dbraw/zinc/01/87/11/829018711.db2.gz OUQFDTOZDJQGJG-OLZOCXBDSA-N 1 3 253.415 1.517 10 30 CDEEHO C[N@H+]1C[C@@H]2CN(CCCSCC#N)C[C@]2(C)C1 ZINC000933740068 829018722 /nfs/dbraw/zinc/01/87/22/829018722.db2.gz OUQFDTOZDJQGJG-OLZOCXBDSA-N 1 3 253.415 1.517 10 30 CDEEHO C[NH+]=C(NCc1ccn(C)c1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261959865 829960208 /nfs/dbraw/zinc/96/02/08/829960208.db2.gz JVKKOFZEOPOVKF-UKRRQHHQSA-N 1 3 291.443 1.419 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000876510972 830575382 /nfs/dbraw/zinc/57/53/82/830575382.db2.gz ZGJDBCAKKAXGAV-OUAUKWLOSA-N 1 3 259.781 1.185 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000876532936 833847209 /nfs/dbraw/zinc/84/72/09/833847209.db2.gz NCJPOSXKQFWRDQ-NWDGAFQWSA-N 1 3 273.808 1.480 10 30 CDEEHO C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)N1CCCC[C@H]1C ZINC000261719877 832490563 /nfs/dbraw/zinc/49/05/63/832490563.db2.gz FQRLOVNUCNHXGT-MCIONIFRSA-N 1 3 282.432 1.333 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C)n1 ZINC000303879718 834312605 /nfs/dbraw/zinc/31/26/05/834312605.db2.gz GUBVYRYEWDEKCS-CQSZACIVSA-N 1 3 275.400 1.279 10 30 CDEEHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925654893 834806968 /nfs/dbraw/zinc/80/69/68/834806968.db2.gz HIRNSALCEFOCDF-MJBXVCDLSA-N 1 3 250.386 1.842 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001569118789 1167553263 /nfs/dbraw/zinc/55/32/63/1167553263.db2.gz GWRVZJJDOHVRMH-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001569118789 1167553270 /nfs/dbraw/zinc/55/32/70/1167553270.db2.gz GWRVZJJDOHVRMH-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567201754 1168616145 /nfs/dbraw/zinc/61/61/45/1168616145.db2.gz HNOXPXCDVGVPMV-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567201754 1168616150 /nfs/dbraw/zinc/61/61/50/1168616150.db2.gz HNOXPXCDVGVPMV-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001272342541 912893687 /nfs/dbraw/zinc/89/36/87/912893687.db2.gz HSDWFDGLVFPMQA-GJZGRUSLSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001266282875 894101521 /nfs/dbraw/zinc/10/15/21/894101521.db2.gz VLMXBUNDJYWUAL-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CC[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001266282875 894101527 /nfs/dbraw/zinc/10/15/27/894101527.db2.gz VLMXBUNDJYWUAL-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CCCN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266361311 894566027 /nfs/dbraw/zinc/56/60/27/894566027.db2.gz KTLONAPZUSIRHK-OAHLLOKOSA-N 1 3 277.412 1.076 10 30 CDEEHO C=CCN(CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001267337633 897631099 /nfs/dbraw/zinc/63/10/99/897631099.db2.gz CPIGWAQKJBXMLV-ZIAGYGMSSA-N 1 3 279.428 1.626 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001283618494 898177954 /nfs/dbraw/zinc/17/79/54/898177954.db2.gz UODXZLWDFQRMOT-KBPBESRZSA-N 1 3 267.417 1.032 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001267571899 898445955 /nfs/dbraw/zinc/44/59/55/898445955.db2.gz UQMGUTPIYIBSTI-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001267571899 898445958 /nfs/dbraw/zinc/44/59/58/898445958.db2.gz UQMGUTPIYIBSTI-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+]CCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001267918039 899972298 /nfs/dbraw/zinc/97/22/98/899972298.db2.gz YNOXVYYFIGVJSU-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001482642580 908107326 /nfs/dbraw/zinc/10/73/26/908107326.db2.gz MIUAKWQUPFQILL-HZPDHXFCSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001507426101 911112978 /nfs/dbraw/zinc/11/29/78/911112978.db2.gz FVYAIQMEIXXQPA-CABCVRRESA-N 1 3 279.428 1.224 10 30 CDEEHO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484122181 915445326 /nfs/dbraw/zinc/44/53/26/915445326.db2.gz BQQPWBDFEXRBFY-GOEBONIOSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001484176051 915491261 /nfs/dbraw/zinc/49/12/61/915491261.db2.gz ZVKJNOXQQGXJRZ-NVXWUHKLSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001484176051 915491270 /nfs/dbraw/zinc/49/12/70/915491270.db2.gz ZVKJNOXQQGXJRZ-NVXWUHKLSA-N 1 3 295.471 1.977 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001484742699 916108217 /nfs/dbraw/zinc/10/82/17/916108217.db2.gz LBUKYRCVQUNYPS-HUUCEWRRSA-N 1 3 279.428 1.130 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001484742699 916108223 /nfs/dbraw/zinc/10/82/23/916108223.db2.gz LBUKYRCVQUNYPS-HUUCEWRRSA-N 1 3 279.428 1.130 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001485299406 916778675 /nfs/dbraw/zinc/77/86/75/916778675.db2.gz JYVOJCFGFTZUAQ-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001485299406 916778682 /nfs/dbraw/zinc/77/86/82/916778682.db2.gz JYVOJCFGFTZUAQ-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001273514896 919892160 /nfs/dbraw/zinc/89/21/60/919892160.db2.gz NPSTXRLREMNBDM-MRXNPFEDSA-N 1 3 293.455 1.663 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001273514896 919892173 /nfs/dbraw/zinc/89/21/73/919892173.db2.gz NPSTXRLREMNBDM-MRXNPFEDSA-N 1 3 293.455 1.663 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001493240193 936621134 /nfs/dbraw/zinc/62/11/34/936621134.db2.gz PDIVGLAYHMJAHH-GJZGRUSLSA-N 1 3 279.428 1.342 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001493240193 936621136 /nfs/dbraw/zinc/62/11/36/936621136.db2.gz PDIVGLAYHMJAHH-GJZGRUSLSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCN1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001486183860 920791070 /nfs/dbraw/zinc/79/10/70/920791070.db2.gz NDXACYPUHOLQDD-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001488806170 926699656 /nfs/dbraw/zinc/69/96/56/926699656.db2.gz YSPIXIRDSUFOPE-YHUYYLMFSA-N 1 3 293.455 1.920 10 30 CDEEHO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001489350058 926879423 /nfs/dbraw/zinc/87/94/23/926879423.db2.gz NXQRWSMPQKNOSE-CABCVRRESA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001489350058 926879432 /nfs/dbraw/zinc/87/94/32/926879432.db2.gz NXQRWSMPQKNOSE-CABCVRRESA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCNC(=O)CN(C)C(C)C ZINC001490281470 927076468 /nfs/dbraw/zinc/07/64/68/927076468.db2.gz KJJMSCDIDHEBEX-UHFFFAOYSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)C[N@H+](C)CCCNC(=O)CN(C)C(C)C ZINC001490281470 927076484 /nfs/dbraw/zinc/07/64/84/927076484.db2.gz KJJMSCDIDHEBEX-UHFFFAOYSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001490416906 927171766 /nfs/dbraw/zinc/17/17/66/927171766.db2.gz VUWAYDIRARMGEK-OAHLLOKOSA-N 1 3 281.444 1.681 10 30 CDEEHO C#CC[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001568678055 1169427928 /nfs/dbraw/zinc/42/79/28/1169427928.db2.gz KBUXCRSSHZCLQI-ZDUSSCGKSA-N 1 3 267.417 1.082 10 30 CDEEHO C=CCN1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001279624249 942397437 /nfs/dbraw/zinc/39/74/37/942397437.db2.gz CHUHAVGUUFFEDC-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCN1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001279624249 942397445 /nfs/dbraw/zinc/39/74/45/942397445.db2.gz CHUHAVGUUFFEDC-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702743 944475206 /nfs/dbraw/zinc/47/52/06/944475206.db2.gz HJIYSLFMOUJTCO-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702743 944475208 /nfs/dbraw/zinc/47/52/08/944475208.db2.gz HJIYSLFMOUJTCO-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001480174689 971614485 /nfs/dbraw/zinc/61/44/85/971614485.db2.gz YEWKLTVRPHMEJH-RBSFLKMASA-N 1 3 279.428 1.674 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480734625 971856669 /nfs/dbraw/zinc/85/66/69/971856669.db2.gz JCPBTUMYUJMPPN-MRXNPFEDSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001480791282 971880598 /nfs/dbraw/zinc/88/05/98/971880598.db2.gz VNMGWXUGPVLSMV-ZIAGYGMSSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001325597228 953977922 /nfs/dbraw/zinc/97/79/22/953977922.db2.gz CBOSALXAZCCATN-GJZGRUSLSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001493206886 971984076 /nfs/dbraw/zinc/98/40/76/971984076.db2.gz KKJNVVLRVSXRMM-ZIAGYGMSSA-N 1 3 285.407 1.290 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001493206886 971984081 /nfs/dbraw/zinc/98/40/81/971984081.db2.gz KKJNVVLRVSXRMM-ZIAGYGMSSA-N 1 3 285.407 1.290 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001329130076 955703804 /nfs/dbraw/zinc/70/38/04/955703804.db2.gz XZVABKHCDYTQRC-OLZOCXBDSA-N 1 3 269.433 1.633 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494173763 972193087 /nfs/dbraw/zinc/19/30/87/972193087.db2.gz WTHCRSGNNCTGTP-HZPDHXFCSA-N 1 3 295.471 1.929 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494173763 972193090 /nfs/dbraw/zinc/19/30/90/972193090.db2.gz WTHCRSGNNCTGTP-HZPDHXFCSA-N 1 3 295.471 1.929 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001331559979 957138541 /nfs/dbraw/zinc/13/85/41/957138541.db2.gz IBMGFYNSMVNPLZ-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001317308481 957415860 /nfs/dbraw/zinc/41/58/60/957415860.db2.gz GFIXZPLXNRZFGI-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CCC[N@@H+](CCNC(=O)[C@H]1CCCCN1CC)C1CC1 ZINC001317561572 957556889 /nfs/dbraw/zinc/55/68/89/957556889.db2.gz MXMCMIDAZLUZQM-MRXNPFEDSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@H+](CCNC(=O)[C@H]1CCCCN1CC)C1CC1 ZINC001317561572 957556892 /nfs/dbraw/zinc/55/68/92/957556892.db2.gz MXMCMIDAZLUZQM-MRXNPFEDSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001317800075 957669094 /nfs/dbraw/zinc/66/90/94/957669094.db2.gz DYSPLMQEXROOJH-HOTGVXAUSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001317800075 957669101 /nfs/dbraw/zinc/66/91/01/957669101.db2.gz DYSPLMQEXROOJH-HOTGVXAUSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001319946616 958806123 /nfs/dbraw/zinc/80/61/23/958806123.db2.gz ZSKGRVJZDFIGPS-CQSZACIVSA-N 1 3 283.460 1.881 10 30 CDEEHO C=CC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)N(C)C ZINC001321107619 959598639 /nfs/dbraw/zinc/59/86/39/959598639.db2.gz OYZUMVLNZINCRP-GWJCSSMESA-N 1 3 253.390 1.021 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001569524416 1169910949 /nfs/dbraw/zinc/91/09/49/1169910949.db2.gz ZRLUXZZFRGABNS-ZIAGYGMSSA-N 1 3 290.411 1.888 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001498821520 974070007 /nfs/dbraw/zinc/07/00/07/974070007.db2.gz NUZDOWUFUGCEIW-UONOGXRCSA-N 1 3 267.417 1.243 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001501090505 974530736 /nfs/dbraw/zinc/53/07/36/974530736.db2.gz DPDFSARNHQDTDH-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001507324891 975415985 /nfs/dbraw/zinc/41/59/85/975415985.db2.gz CYZXMYQAKOEPRE-AAEUAGOBSA-N 1 3 262.357 1.107 10 30 CDEEHO C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507326726 975417070 /nfs/dbraw/zinc/41/70/70/975417070.db2.gz WAFDTSOCWFEZCA-HZPDHXFCSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCN1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001508064217 975596142 /nfs/dbraw/zinc/59/61/42/975596142.db2.gz BZPPEVUSINRGSZ-GDBMZVCRSA-N 1 3 293.455 1.423 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC=C)CC1 ZINC001570654066 1170223961 /nfs/dbraw/zinc/22/39/61/1170223961.db2.gz ZNIYOTHMKOPJKX-LSDHHAIUSA-N 1 3 291.439 1.391 10 30 CDEEHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001571512367 1170458533 /nfs/dbraw/zinc/45/85/33/1170458533.db2.gz FOEHHVIBYDPXDP-OWCLPIDISA-N 1 3 293.455 1.729 10 30 CDEEHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](N)CCCCC#N ZINC000594435828 342899262 /nfs/dbraw/zinc/89/92/62/342899262.db2.gz ADBNUSXNMGNWAZ-KGLIPLIRSA-N 1 3 280.416 1.388 10 30 CDEEHO CC(C)C[C@H](CNC(=O)[C@H](N)CCCCC#N)[NH+](C)C ZINC000594441067 342907549 /nfs/dbraw/zinc/90/75/49/342907549.db2.gz MDEUNQLHFRYUHH-ZIAGYGMSSA-N 1 3 282.432 1.490 10 30 CDEEHO C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661555065 1172405488 /nfs/dbraw/zinc/40/54/88/1172405488.db2.gz IMDNHXSGSZBPNA-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C1CC(C)(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000633613610 378595601 /nfs/dbraw/zinc/59/56/01/378595601.db2.gz CQHNVLHPNDYQNX-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C1CC(C)(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000633613610 378595607 /nfs/dbraw/zinc/59/56/07/378595607.db2.gz CQHNVLHPNDYQNX-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662686017 1172580860 /nfs/dbraw/zinc/58/08/60/1172580860.db2.gz UWNBAZGSCSNFPA-GJZGRUSLSA-N 1 3 279.428 1.342 10 30 CDEEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(C#N)o2)CC1 ZINC000121103252 147357785 /nfs/dbraw/zinc/35/77/85/147357785.db2.gz HCUJVFSQZHIWGZ-ZDUSSCGKSA-N 1 3 291.395 1.676 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001664468054 1172856726 /nfs/dbraw/zinc/85/67/26/1172856726.db2.gz SNJFEAOVBPUEHF-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCOCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665263680 413988769 /nfs/dbraw/zinc/98/87/69/413988769.db2.gz RRGMTSMEXSYQPJ-SOUVJXGZSA-N 1 3 268.401 1.326 10 30 CDEEHO [NH3+]CC#Cc1ccsc1CN1CCC[C@H](O)C1 ZINC000043683966 175091659 /nfs/dbraw/zinc/09/16/59/175091659.db2.gz OYONMELCOHOZOX-LBPRGKRZSA-N 1 3 250.367 1.015 10 30 CDEEHO C=CCN1CC[C@H](N2CCC[C@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662291934 423921133 /nfs/dbraw/zinc/92/11/33/423921133.db2.gz ATGPHWHNLGPFKI-HOTGVXAUSA-N 1 3 291.439 1.485 10 30 CDEEHO C=CC[C@]1(C(=O)Nc2ccn(CCN(C)C)n2)CCC[NH2+]1 ZINC000662704905 424348401 /nfs/dbraw/zinc/34/84/01/424348401.db2.gz LQXXJOLJIOBOIL-OAHLLOKOSA-N 1 3 291.399 1.082 10 30 CDEEHO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001667545952 1173285641 /nfs/dbraw/zinc/28/56/41/1173285641.db2.gz PGFBWMXQBMQKHD-GJZGRUSLSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001667545952 1173285645 /nfs/dbraw/zinc/28/56/45/1173285645.db2.gz PGFBWMXQBMQKHD-GJZGRUSLSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)CCC ZINC001667764496 1173323420 /nfs/dbraw/zinc/32/34/20/1173323420.db2.gz QHUQGBZKSLRGNG-CABCVRRESA-N 1 3 281.444 1.779 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001714235569 1179039063 /nfs/dbraw/zinc/03/90/63/1179039063.db2.gz KUABUCLPPWMING-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO COc1ccc(C#CC[NH3+])cc1CN1CCCSCC1 ZINC000049609939 523514895 /nfs/dbraw/zinc/51/48/95/523514895.db2.gz CPPKDOGHWIFNOK-UHFFFAOYSA-N 1 3 290.432 1.944 10 30 CDEEHO C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001690018552 1175347480 /nfs/dbraw/zinc/34/74/80/1175347480.db2.gz JJCZSZAVBFNEOD-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941157723 613743432 /nfs/dbraw/zinc/74/34/32/613743432.db2.gz FSCZWXIKVJGPHX-LSDHHAIUSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941157723 613743433 /nfs/dbraw/zinc/74/34/33/613743433.db2.gz FSCZWXIKVJGPHX-LSDHHAIUSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000895665651 619793797 /nfs/dbraw/zinc/79/37/97/619793797.db2.gz DUVTXUZPIJBJED-HNNXBMFYSA-N 1 3 296.459 1.620 10 30 CDEEHO C=C1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000895665651 619793799 /nfs/dbraw/zinc/79/37/99/619793799.db2.gz DUVTXUZPIJBJED-HNNXBMFYSA-N 1 3 296.459 1.620 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000900664324 623344110 /nfs/dbraw/zinc/34/41/10/623344110.db2.gz JDXUEGUFIYUMDZ-AWEZNQCLSA-N 1 3 265.401 1.189 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001724742407 1158624311 /nfs/dbraw/zinc/62/43/11/1158624311.db2.gz AACAQRHXNCKMBL-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001266410035 1158534464 /nfs/dbraw/zinc/53/44/64/1158534464.db2.gz WXUCBRVDQUXARP-JKSUJKDBSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001266789922 1158829752 /nfs/dbraw/zinc/82/97/52/1158829752.db2.gz AAACAVSLKLWPGS-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268751176 1160013848 /nfs/dbraw/zinc/01/38/48/1160013848.db2.gz RRKJKYAQJUDELE-CQSZACIVSA-N 1 3 289.423 1.984 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001568153001 1169150540 /nfs/dbraw/zinc/15/05/40/1169150540.db2.gz DGFDJKOWLOQOIM-HZPDHXFCSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]CCC=C)CC1 ZINC001568969791 1169567758 /nfs/dbraw/zinc/56/77/58/1169567758.db2.gz PRFAHMSOQHHSSW-SREVYHEPSA-N 1 3 289.423 1.170 10 30 CDEEHO C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001664893696 1172923194 /nfs/dbraw/zinc/92/31/94/1172923194.db2.gz FLJJKZWCFKWRMY-OAHLLOKOSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001664893696 1172923203 /nfs/dbraw/zinc/92/32/03/1172923203.db2.gz FLJJKZWCFKWRMY-OAHLLOKOSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](C(C)C)CC1 ZINC001671508141 1173685834 /nfs/dbraw/zinc/68/58/34/1173685834.db2.gz OBPSICCEQXJWOT-UHFFFAOYSA-N 1 3 293.455 1.661 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001672247300 1173756990 /nfs/dbraw/zinc/75/69/90/1173756990.db2.gz UKUKMHUVVBZYCR-CABCVRRESA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001690435394 1175470441 /nfs/dbraw/zinc/47/04/41/1175470441.db2.gz BJCLOJHUIQWSCZ-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001698860761 1175967925 /nfs/dbraw/zinc/96/79/25/1175967925.db2.gz KSDMJUKIZVEAMM-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[NH2+]C[C@@H](CCCC)NC(=O)CN1CC[C@@H](C)C1 ZINC001700520776 1176993166 /nfs/dbraw/zinc/99/31/66/1176993166.db2.gz PXGUPNHWYGXLDA-HZPDHXFCSA-N 1 3 293.455 1.616 10 30 CDEEHO CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001700646099 1177055516 /nfs/dbraw/zinc/05/55/16/1177055516.db2.gz SGPXDVNYMCJJIU-KLHDSHLOSA-N 1 3 291.439 1.367 10 30 CDEEHO CC#CC[NH2+][C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC001700920838 1177196449 /nfs/dbraw/zinc/19/64/49/1177196449.db2.gz BSEHDDGJHARWLT-CABCVRRESA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001700989107 1177228390 /nfs/dbraw/zinc/22/83/90/1177228390.db2.gz WNLOFPXWTJOMQP-CQSZACIVSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CC[NH+]1CCC(C2(NC(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001701032323 1177247770 /nfs/dbraw/zinc/24/77/70/1177247770.db2.gz URVOYBZNAGPVRM-OAHLLOKOSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001713150136 1178396762 /nfs/dbraw/zinc/39/67/62/1178396762.db2.gz BOAXRACJQOJALG-OLZOCXBDSA-N 1 3 276.384 1.497 10 30 CDEEHO CC#CC[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001713293872 1178471220 /nfs/dbraw/zinc/47/12/20/1178471220.db2.gz SNDCPQUBZFDFFB-UHFFFAOYSA-N 1 3 279.428 1.367 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001713634161 1178690378 /nfs/dbraw/zinc/69/03/78/1178690378.db2.gz JSCCSBZJETVZHG-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001713925176 1178851521 /nfs/dbraw/zinc/85/15/21/1178851521.db2.gz KYLXWVOLWSIOSG-HNNXBMFYSA-N 1 3 289.423 1.076 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001714080873 1178964833 /nfs/dbraw/zinc/96/48/33/1178964833.db2.gz ZGVKGCGABVLRRP-LSDHHAIUSA-N 1 3 279.428 1.342 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001715481241 1179677357 /nfs/dbraw/zinc/67/73/57/1179677357.db2.gz YVMYFZMWHDLDRF-ZFWWWQNUSA-N 1 3 290.411 1.745 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001715878573 1179892409 /nfs/dbraw/zinc/89/24/09/1179892409.db2.gz PRVKUNCNKFKVLY-LFAOLKIESA-N 1 3 277.412 1.145 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001715878573 1179892421 /nfs/dbraw/zinc/89/24/21/1179892421.db2.gz PRVKUNCNKFKVLY-LFAOLKIESA-N 1 3 277.412 1.145 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCC ZINC001716520324 1180264629 /nfs/dbraw/zinc/26/46/29/1180264629.db2.gz KUVNNLMHZIBHIO-GJZGRUSLSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001716693073 1180373481 /nfs/dbraw/zinc/37/34/81/1180373481.db2.gz ALJGTICNDUOLMT-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CCCC1 ZINC001724085434 1181635126 /nfs/dbraw/zinc/63/51/26/1181635126.db2.gz QQTXHERJSSJOHE-MRXNPFEDSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001724627367 1181706309 /nfs/dbraw/zinc/70/63/09/1181706309.db2.gz LYBJTSHOWBWALG-GASCZTMLSA-N 1 3 293.455 1.541 10 30 CDEEHO C=CC[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001724627367 1181706312 /nfs/dbraw/zinc/70/63/12/1181706312.db2.gz LYBJTSHOWBWALG-GASCZTMLSA-N 1 3 293.455 1.541 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC)CC1 ZINC001725129916 1181876628 /nfs/dbraw/zinc/87/66/28/1181876628.db2.gz PNVDHYSUGHCXFU-HUUCEWRRSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001725364405 1181975091 /nfs/dbraw/zinc/97/50/91/1181975091.db2.gz PPDGAABTVZUFAF-BZUAXINKSA-N 1 3 293.455 1.779 10 30 CDEEHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001731426309 1182378553 /nfs/dbraw/zinc/37/85/53/1182378553.db2.gz UVOAOKCBOUYLFB-IYBDPMFKSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001731673864 1182513320 /nfs/dbraw/zinc/51/33/20/1182513320.db2.gz WXFGRJZCGWVJAR-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCCN1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001733409280 1183424213 /nfs/dbraw/zinc/42/42/13/1183424213.db2.gz BTMJBNMZAQHFLI-DOTOQJQBSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CC[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001734579656 1183832726 /nfs/dbraw/zinc/83/27/26/1183832726.db2.gz HCEUQAQRPTYYCC-HUUCEWRRSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000876717051 835908009 /nfs/dbraw/zinc/90/80/09/835908009.db2.gz UUGNWLUSESROTG-CYBMUJFWSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000876771405 836203394 /nfs/dbraw/zinc/20/33/94/836203394.db2.gz RHUDOEYNNMYUQX-WVMKXHBISA-N 1 3 285.819 1.588 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000876771405 836203407 /nfs/dbraw/zinc/20/34/07/836203407.db2.gz RHUDOEYNNMYUQX-WVMKXHBISA-N 1 3 285.819 1.588 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000876717512 836905956 /nfs/dbraw/zinc/90/59/56/836905956.db2.gz CKQYKGXCRIXWRN-NWDGAFQWSA-N 1 3 273.808 1.399 10 30 CDEEHO C=CC[C@H](CO)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925627806 838765059 /nfs/dbraw/zinc/76/50/59/838765059.db2.gz ABPLQIZDZAYANB-BPUTZDHNSA-N 1 3 266.429 1.929 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000876708675 839320437 /nfs/dbraw/zinc/32/04/37/839320437.db2.gz XMQSILTXTVRQRV-GFCCVEGCSA-N 1 3 275.824 1.691 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC1=CCCC1 ZINC000133894730 841690327 /nfs/dbraw/zinc/69/03/27/841690327.db2.gz LBMFHHXYXVFCEK-AWEZNQCLSA-N 1 3 264.417 1.875 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCNC(=O)CN(C)C1CCC1 ZINC001566460770 1168286862 /nfs/dbraw/zinc/28/68/62/1168286862.db2.gz CESZOVOTXPSIBH-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[N@H+](C)CCCNC(=O)CN(C)C1CCC1 ZINC001566460770 1168286864 /nfs/dbraw/zinc/28/68/64/1168286864.db2.gz CESZOVOTXPSIBH-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267112232 896822553 /nfs/dbraw/zinc/82/25/53/896822553.db2.gz WXCVDMHMXWABQA-CVEARBPZSA-N 1 3 293.455 1.663 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CN(C)C(C)C ZINC001267181877 897033693 /nfs/dbraw/zinc/03/36/93/897033693.db2.gz PNGBMIOPCASGEU-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CN(C)C(C)C ZINC001267181877 897033709 /nfs/dbraw/zinc/03/37/09/897033709.db2.gz PNGBMIOPCASGEU-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001267988515 900207760 /nfs/dbraw/zinc/20/77/60/900207760.db2.gz UJZYSXDBRKFFGA-GJZGRUSLSA-N 1 3 279.428 1.226 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481489655 900911043 /nfs/dbraw/zinc/91/10/43/900911043.db2.gz WTHCRSGNNCTGTP-CVEARBPZSA-N 1 3 295.471 1.929 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481489655 900911050 /nfs/dbraw/zinc/91/10/50/900911050.db2.gz WTHCRSGNNCTGTP-CVEARBPZSA-N 1 3 295.471 1.929 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001483756699 914528990 /nfs/dbraw/zinc/52/89/90/914528990.db2.gz IERMUQHHNQYOHC-UHFFFAOYSA-N 1 3 265.401 1.285 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1CCC)C(C)C ZINC001268211822 901582389 /nfs/dbraw/zinc/58/23/89/901582389.db2.gz HZACXBGWJRAWLJ-JKSUJKDBSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCCC[N@@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001268250747 901671122 /nfs/dbraw/zinc/67/11/22/901671122.db2.gz HCSMOUCDMORLIZ-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCCC[N@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001268250747 901671128 /nfs/dbraw/zinc/67/11/28/901671128.db2.gz HCSMOUCDMORLIZ-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001268665025 902927143 /nfs/dbraw/zinc/92/71/43/902927143.db2.gz YCCZCNLXNAVQMK-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001271577155 906523538 /nfs/dbraw/zinc/52/35/38/906523538.db2.gz RIFNTHOWZNZFOF-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001482875661 908452663 /nfs/dbraw/zinc/45/26/63/908452663.db2.gz XGIUQNXRPPTQJD-RYUDHWBXSA-N 1 3 275.824 1.564 10 30 CDEEHO C=CCC[NH2+]C/C=C/CNC(=O)CN1CC[C@H](C)C1 ZINC001483059988 909198026 /nfs/dbraw/zinc/19/80/26/909198026.db2.gz AWCORJRRGWNMEY-GJBLVYBDSA-N 1 3 265.401 1.166 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001484724006 916082215 /nfs/dbraw/zinc/08/22/15/916082215.db2.gz MDBXEPGIJRSZRZ-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001484724006 916082232 /nfs/dbraw/zinc/08/22/32/916082232.db2.gz MDBXEPGIJRSZRZ-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCC)C[C@H]2C1 ZINC001485656963 917164362 /nfs/dbraw/zinc/16/43/62/917164362.db2.gz HEKUMASHKWKJOE-JYJNAYRXSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCC)C[C@H]2C1 ZINC001485656963 917164371 /nfs/dbraw/zinc/16/43/71/917164371.db2.gz HEKUMASHKWKJOE-JYJNAYRXSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)CN(C)C(C)C ZINC001276400465 936627216 /nfs/dbraw/zinc/62/72/16/936627216.db2.gz ZWDYWXYOKPVTFF-UHFFFAOYSA-N 1 3 255.406 1.341 10 30 CDEEHO C#CC[NH2+][C@@H](C)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001485961500 920626985 /nfs/dbraw/zinc/62/69/85/920626985.db2.gz SJMRDBLQIBWNJH-AWEZNQCLSA-N 1 3 287.407 1.432 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486138503 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YFBPFCFDGOSSLD-GFCCVEGCSA-N 1 3 278.400 1.663 10 30 CDEEHO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001570749579 1170268776 /nfs/dbraw/zinc/26/87/76/1170268776.db2.gz YFBPFCFDGOSSLD-GFCCVEGCSA-N 1 3 278.400 1.663 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CN(C)CCC ZINC001570748365 1170269203 /nfs/dbraw/zinc/26/92/03/1170269203.db2.gz YKKUYFVKKQBTFX-CYBMUJFWSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CN(C)CCC ZINC001570748365 1170269208 /nfs/dbraw/zinc/26/92/08/1170269208.db2.gz YKKUYFVKKQBTFX-CYBMUJFWSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001661162279 1172346334 /nfs/dbraw/zinc/34/63/34/1172346334.db2.gz FSHZDELMNYNQGQ-ZIAGYGMSSA-N 1 3 267.417 1.243 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CC(C)C)CC1 ZINC001663013884 1172628483 /nfs/dbraw/zinc/62/84/83/1172628483.db2.gz HGKIOXOROAOJKR-HNNXBMFYSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001690866906 1175595519 /nfs/dbraw/zinc/59/55/19/1175595519.db2.gz FFOAVWPPYFCPGU-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H](CC)N(C)C ZINC001698604289 1175868604 /nfs/dbraw/zinc/86/86/04/1175868604.db2.gz IRHRLYKMWZJUAL-QWHCGFSZSA-N 1 3 255.406 1.387 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001698858961 1175966211 /nfs/dbraw/zinc/96/62/11/1175966211.db2.gz XGKSXXGLVJZSTP-KGLIPLIRSA-N 1 3 267.417 1.032 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001698991725 1176021549 /nfs/dbraw/zinc/02/15/49/1176021549.db2.gz UANYCXUNXJHMCO-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001698991725 1176021556 /nfs/dbraw/zinc/02/15/56/1176021556.db2.gz UANYCXUNXJHMCO-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001707092581 1177948910 /nfs/dbraw/zinc/94/89/10/1177948910.db2.gz VCNBSGGYYGSLCI-SHTZXODSSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001713310458 1178489116 /nfs/dbraw/zinc/48/91/16/1178489116.db2.gz VAWXONWIJMJZDS-KGLIPLIRSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713551696 1178641169 /nfs/dbraw/zinc/64/11/69/1178641169.db2.gz XAQFEGOWOIZJMV-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001713756462 1178740136 /nfs/dbraw/zinc/74/01/36/1178740136.db2.gz WYZQILQVLGCMGM-HZPDHXFCSA-N 1 3 295.471 1.929 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001713756462 1178740142 /nfs/dbraw/zinc/74/01/42/1178740142.db2.gz WYZQILQVLGCMGM-HZPDHXFCSA-N 1 3 295.471 1.929 10 30 CDEEHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001713935968 1178862649 /nfs/dbraw/zinc/86/26/49/1178862649.db2.gz KGVWLTGTWBYZKI-KBPBESRZSA-N 1 3 265.401 1.189 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001714906509 1179447163 /nfs/dbraw/zinc/44/71/63/1179447163.db2.gz ROEGKHPWPZALSH-CVEARBPZSA-N 1 3 293.455 1.376 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001714906509 1179447167 /nfs/dbraw/zinc/44/71/67/1179447167.db2.gz ROEGKHPWPZALSH-CVEARBPZSA-N 1 3 293.455 1.376 10 30 CDEEHO C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCCN1CC ZINC001715775896 1179799928 /nfs/dbraw/zinc/79/99/28/1179799928.db2.gz AIOGBYLHRINUFZ-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO CC#CCN1CCC(C)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001716796898 1180418822 /nfs/dbraw/zinc/41/88/22/1180418822.db2.gz LQOSSSMXTWIDEJ-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCC1 ZINC001724785609 1181753464 /nfs/dbraw/zinc/75/34/64/1181753464.db2.gz IQEODGIJNZDBKL-AWEZNQCLSA-N 1 3 279.428 1.674 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)CN(C)CCC ZINC001725145414 1181882594 /nfs/dbraw/zinc/88/25/94/1181882594.db2.gz CYQZYYWASROISV-UHFFFAOYSA-N 1 3 267.417 1.036 10 30 CDEEHO C#CC[NH2+][C@H](CCN(C)C(=O)CN1CC[C@H](C)C1)C(C)C ZINC001725210978 1181924186 /nfs/dbraw/zinc/92/41/86/1181924186.db2.gz AFQBFQPZZZAMIF-JKSUJKDBSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731270971 1182287650 /nfs/dbraw/zinc/28/76/50/1182287650.db2.gz FMMIORSSHFCHNR-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001731270971 1182287659 /nfs/dbraw/zinc/28/76/59/1182287659.db2.gz FMMIORSSHFCHNR-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001733109112 1183294456 /nfs/dbraw/zinc/29/44/56/1183294456.db2.gz VDERTRVMQZABEB-CYBMUJFWSA-N 1 3 287.835 1.661 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001733931143 1183574237 /nfs/dbraw/zinc/57/42/37/1183574237.db2.gz WMKCVCVUUBKKQQ-HZPDHXFCSA-N 1 3 291.439 1.437 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C(=O)CN1CCCC1)C(C)C ZINC001734555057 1183824035 /nfs/dbraw/zinc/82/40/35/1183824035.db2.gz YJUQFAJSGATIHL-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[N@H+](C)CCN(C(=O)CN1CCCC1)C(C)C ZINC001734555057 1183824041 /nfs/dbraw/zinc/82/40/41/1183824041.db2.gz YJUQFAJSGATIHL-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000876901101 1165937136 /nfs/dbraw/zinc/93/71/36/1165937136.db2.gz ZEXUAXMWFIRNLC-AGIUHOORSA-N 1 3 285.819 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000876901101 1165937144 /nfs/dbraw/zinc/93/71/44/1165937144.db2.gz ZEXUAXMWFIRNLC-AGIUHOORSA-N 1 3 285.819 1.399 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001691743091 1166888131 /nfs/dbraw/zinc/88/81/31/1166888131.db2.gz VQSBCUPJLLLTMJ-GASCZTMLSA-N 1 3 293.455 1.472 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000876956987 844494875 /nfs/dbraw/zinc/49/48/75/844494875.db2.gz PWIJKLJODXKTRO-ZIAGYGMSSA-N 1 3 299.846 1.695 10 30 CDEEHO C#CCOc1ccc([C@@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000863540512 843806153 /nfs/dbraw/zinc/80/61/53/843806153.db2.gz FDBGJRKXGUMSFT-CQSZACIVSA-N 1 3 288.391 1.857 10 30 CDEEHO C=C(C)CNC(=[NH2+])NCCN(C)C1CCCCC1 ZINC000303902864 844939946 /nfs/dbraw/zinc/93/99/46/844939946.db2.gz UGILJVMYEQIKQM-UHFFFAOYSA-N 1 3 252.406 1.731 10 30 CDEEHO CC[NH+]=C(NCC(F)F)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262015766 845378618 /nfs/dbraw/zinc/37/86/18/845378618.db2.gz XREAVGOHOCCESA-GHMZBOCLSA-N 1 3 276.375 1.535 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000876775102 845402093 /nfs/dbraw/zinc/40/20/93/845402093.db2.gz OIBSKEMTDZDXAV-NWDGAFQWSA-N 1 3 273.808 1.257 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000876775102 845402096 /nfs/dbraw/zinc/40/20/96/845402096.db2.gz OIBSKEMTDZDXAV-NWDGAFQWSA-N 1 3 273.808 1.257 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000876764174 846537111 /nfs/dbraw/zinc/53/71/11/846537111.db2.gz KOPYLUSETVTCLZ-VWYCJHECSA-N 1 3 259.781 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000876764174 846537114 /nfs/dbraw/zinc/53/71/14/846537114.db2.gz KOPYLUSETVTCLZ-VWYCJHECSA-N 1 3 259.781 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000876873329 846789013 /nfs/dbraw/zinc/78/90/13/846789013.db2.gz CSHGWBXPWDUBID-ZDUSSCGKSA-N 1 3 287.835 1.789 10 30 CDEEHO CC[NH+]=C(NC1CCC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261972889 847220188 /nfs/dbraw/zinc/22/01/88/847220188.db2.gz NEQRAIIAIAPVKG-GXTWGEPZSA-N 1 3 266.433 1.823 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001502754780 1167775333 /nfs/dbraw/zinc/77/53/33/1167775333.db2.gz XBYVDUMMCIMNQQ-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001566498226 1168310201 /nfs/dbraw/zinc/31/02/01/1168310201.db2.gz YADPBYQWWWCTNH-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001566498226 1168310207 /nfs/dbraw/zinc/31/02/07/1168310207.db2.gz YADPBYQWWWCTNH-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001566615995 1168355653 /nfs/dbraw/zinc/35/56/53/1168355653.db2.gz XANCQLRBRBHJKY-UHFFFAOYSA-N 1 3 293.455 1.971 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001567291228 1168662998 /nfs/dbraw/zinc/66/29/98/1168662998.db2.gz YIXSLFUPCDZBLM-UHFFFAOYSA-N 1 3 265.401 1.239 10 30 CDEEHO C#CCN1CCC2(C[C@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001266381055 894636072 /nfs/dbraw/zinc/63/60/72/894636072.db2.gz WZQYZBUEWFFSEN-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+][C@@H](CC)CNC(=O)CN(C)C1CCC1 ZINC001267806420 899774777 /nfs/dbraw/zinc/77/47/77/899774777.db2.gz NQMGKOSIPXSUSA-LBPRGKRZSA-N 1 3 253.390 1.141 10 30 CDEEHO C#CC[NH2+]Cc1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC001267938089 900008040 /nfs/dbraw/zinc/00/80/40/900008040.db2.gz KCBNKQZIWBHXQN-UHFFFAOYSA-N 1 3 299.418 1.510 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001481496785 900922368 /nfs/dbraw/zinc/92/23/68/900922368.db2.gz FVBBTKKCLVJMLO-CABCVRRESA-N 1 3 279.428 1.295 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001481496785 900922380 /nfs/dbraw/zinc/92/23/80/900922380.db2.gz FVBBTKKCLVJMLO-CABCVRRESA-N 1 3 279.428 1.295 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001268160348 901453920 /nfs/dbraw/zinc/45/39/20/901453920.db2.gz HVPHHEIOOUWYRS-HNNXBMFYSA-N 1 3 288.395 1.336 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001268211300 901579564 /nfs/dbraw/zinc/57/95/64/901579564.db2.gz DTUSZGOMKMVNMG-AWEZNQCLSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CCCF)CC1 ZINC001481880088 902259231 /nfs/dbraw/zinc/25/92/31/902259231.db2.gz BSOAUYQXBRSQIV-OAHLLOKOSA-N 1 3 297.418 1.176 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001270221308 904455073 /nfs/dbraw/zinc/45/50/73/904455073.db2.gz CTVCXTAUOBMAGC-OAHLLOKOSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001482344507 905139559 /nfs/dbraw/zinc/13/95/59/905139559.db2.gz NQTNFJCWSLJJME-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001271565238 906521533 /nfs/dbraw/zinc/52/15/33/906521533.db2.gz BMLFBLALMPIEJU-JKSUJKDBSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001483348081 910945543 /nfs/dbraw/zinc/94/55/43/910945543.db2.gz RYHPZRHGJADBGD-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001483348081 910945564 /nfs/dbraw/zinc/94/55/64/910945564.db2.gz RYHPZRHGJADBGD-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001484122184 915444891 /nfs/dbraw/zinc/44/48/91/915444891.db2.gz BQQPWBDFEXRBFY-ZBFHGGJFSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484548361 915872617 /nfs/dbraw/zinc/87/26/17/915872617.db2.gz CCPKLARGFPNYSA-MRXNPFEDSA-N 1 3 293.455 1.877 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001484937919 916285109 /nfs/dbraw/zinc/28/51/09/916285109.db2.gz ZAHCKIRPZKXAKS-CABCVRRESA-N 1 3 295.471 1.975 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001484937919 916285124 /nfs/dbraw/zinc/28/51/24/916285124.db2.gz ZAHCKIRPZKXAKS-CABCVRRESA-N 1 3 295.471 1.975 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001485076075 916471199 /nfs/dbraw/zinc/47/11/99/916471199.db2.gz KNJAOQFHVUKOOG-HNNXBMFYSA-N 1 3 279.428 1.581 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001485076075 916471209 /nfs/dbraw/zinc/47/12/09/916471209.db2.gz KNJAOQFHVUKOOG-HNNXBMFYSA-N 1 3 279.428 1.581 10 30 CDEEHO C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCN1C)C(C)C ZINC001485428114 916974630 /nfs/dbraw/zinc/97/46/30/916974630.db2.gz IFYXTRUDYUBFHM-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1CC ZINC001485837557 920085476 /nfs/dbraw/zinc/08/54/76/920085476.db2.gz PVKWDCXFXIZODK-HZPDHXFCSA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001490270911 927068864 /nfs/dbraw/zinc/06/88/64/927068864.db2.gz XSWVFVYSVLBZEX-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C(C)C ZINC001319912724 931490931 /nfs/dbraw/zinc/49/09/31/931490931.db2.gz YDFCHVAHHPUOFK-LSDHHAIUSA-N 1 3 281.444 1.776 10 30 CDEEHO C=C(Cl)CNCCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001276333792 935017100 /nfs/dbraw/zinc/01/71/00/935017100.db2.gz WQBVOYXEFXCCTA-ZDUSSCGKSA-N 1 3 287.835 1.519 10 30 CDEEHO C=C(Cl)CNCCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001276333792 935017106 /nfs/dbraw/zinc/01/71/06/935017106.db2.gz WQBVOYXEFXCCTA-ZDUSSCGKSA-N 1 3 287.835 1.519 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001281748040 942616788 /nfs/dbraw/zinc/61/67/88/942616788.db2.gz KKBKJPGUQSYLNY-AWEZNQCLSA-N 1 3 281.444 1.472 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001263179560 943776578 /nfs/dbraw/zinc/77/65/78/943776578.db2.gz QDBSQYUBCLCGCO-SGMGOOAPSA-N 1 3 251.374 1.071 10 30 CDEEHO C#CC[NH+]1CCC([C@@H](C)NC(=O)CN(C)CCC)CC1 ZINC001279104555 944144828 /nfs/dbraw/zinc/14/48/28/944144828.db2.gz IWCDPMCESFWIKJ-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001265095255 944227278 /nfs/dbraw/zinc/22/72/78/944227278.db2.gz SCDBHFRSMHZGHF-GJZGRUSLSA-N 1 3 279.428 1.319 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265625938 944450330 /nfs/dbraw/zinc/45/03/30/944450330.db2.gz KVYJZZXDVPBHPR-AWEZNQCLSA-N 1 3 290.411 1.747 10 30 CDEEHO C[NH+](C)CC#CCNC[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724024456 948562811 /nfs/dbraw/zinc/56/28/11/948562811.db2.gz RBSOMZZNXFOETF-VIFPVBQESA-N 1 3 288.260 1.090 10 30 CDEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001493831248 972122659 /nfs/dbraw/zinc/12/26/59/972122659.db2.gz STLDVHGETFDUSK-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC)CC1 ZINC001329202099 955752995 /nfs/dbraw/zinc/75/29/95/955752995.db2.gz HYSCLEGSHBTXGR-KBPBESRZSA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001493837861 972123909 /nfs/dbraw/zinc/12/39/09/972123909.db2.gz TVGDXPTYZDFBPU-GOEBONIOSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001493869495 972130705 /nfs/dbraw/zinc/13/07/05/972130705.db2.gz BCFCFQXTONZHLL-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001493869495 972130708 /nfs/dbraw/zinc/13/07/08/972130708.db2.gz BCFCFQXTONZHLL-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001330598418 956505911 /nfs/dbraw/zinc/50/59/11/956505911.db2.gz CNIIEBTVHUQDJY-KKUMJFAQSA-N 1 3 279.428 1.530 10 30 CDEEHO C#CC[N@H+](CC)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001316907751 957115091 /nfs/dbraw/zinc/11/50/91/957115091.db2.gz RGWCTESVARWZAN-CQSZACIVSA-N 1 3 267.417 1.034 10 30 CDEEHO C#CC[N@@H+](CC)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001316907751 957115097 /nfs/dbraw/zinc/11/50/97/957115097.db2.gz RGWCTESVARWZAN-CQSZACIVSA-N 1 3 267.417 1.034 10 30 CDEEHO C#CCN(C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001317381799 957442735 /nfs/dbraw/zinc/44/27/35/957442735.db2.gz RFOLOMKNRIZDQV-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCN(C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001317381799 957442738 /nfs/dbraw/zinc/44/27/38/957442738.db2.gz RFOLOMKNRIZDQV-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001332330379 957520624 /nfs/dbraw/zinc/52/06/24/957520624.db2.gz TZFWTTGBIGIREL-ZIAGYGMSSA-N 1 3 288.395 1.158 10 30 CDEEHO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001319251372 958456779 /nfs/dbraw/zinc/45/67/79/958456779.db2.gz RSEOXIZRKKEBPX-HUUCEWRRSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001569524413 1169910223 /nfs/dbraw/zinc/91/02/23/1169910223.db2.gz ZRLUXZZFRGABNS-KBPBESRZSA-N 1 3 290.411 1.888 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001522169932 970405998 /nfs/dbraw/zinc/40/59/98/970405998.db2.gz CGQAGTWLEXNUOR-NWDGAFQWSA-N 1 3 251.374 1.071 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001496639979 973003548 /nfs/dbraw/zinc/00/35/48/973003548.db2.gz WGHHMYWGJOAPPI-AWEZNQCLSA-N 1 3 269.433 1.633 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001503023145 974809032 /nfs/dbraw/zinc/80/90/32/974809032.db2.gz KVUWIGSHKXPBND-HUUCEWRRSA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001503023145 974809035 /nfs/dbraw/zinc/80/90/35/974809035.db2.gz KVUWIGSHKXPBND-HUUCEWRRSA-N 1 3 279.428 1.319 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001505445985 974881062 /nfs/dbraw/zinc/88/10/62/974881062.db2.gz BDSIKGCPSYMUPP-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001505445985 974881064 /nfs/dbraw/zinc/88/10/64/974881064.db2.gz BDSIKGCPSYMUPP-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001507435108 975470739 /nfs/dbraw/zinc/47/07/39/975470739.db2.gz KSKHEYIRBVGXRI-OAHLLOKOSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCC[N@H+](CC)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001492952677 976225804 /nfs/dbraw/zinc/22/58/04/976225804.db2.gz KNECAHGZFLYNEM-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CCC[N@@H+](CC)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001492952677 976225812 /nfs/dbraw/zinc/22/58/12/976225812.db2.gz KNECAHGZFLYNEM-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001570192550 1170103707 /nfs/dbraw/zinc/10/37/07/1170103707.db2.gz KOFXXGGUNWXMBN-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001570192550 1170103710 /nfs/dbraw/zinc/10/37/10/1170103710.db2.gz KOFXXGGUNWXMBN-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C ZINC001571637347 1170504492 /nfs/dbraw/zinc/50/44/92/1170504492.db2.gz UNPSJBYINGPWTC-KGLIPLIRSA-N 1 3 281.444 1.470 10 30 CDEEHO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000651720799 398165409 /nfs/dbraw/zinc/16/54/09/398165409.db2.gz KXICETWIPGUSPD-ZIAGYGMSSA-N 1 3 252.402 1.778 10 30 CDEEHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594437182 342905467 /nfs/dbraw/zinc/90/54/67/342905467.db2.gz IZOMTOICZFVRQH-GJZGRUSLSA-N 1 3 294.443 1.634 10 30 CDEEHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594437182 342905468 /nfs/dbraw/zinc/90/54/68/342905468.db2.gz IZOMTOICZFVRQH-GJZGRUSLSA-N 1 3 294.443 1.634 10 30 CDEEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)CC#N ZINC000597051977 343442049 /nfs/dbraw/zinc/44/20/49/343442049.db2.gz HSCNXQWZOIYJMI-CABCVRRESA-N 1 3 294.443 1.411 10 30 CDEEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)CC#N ZINC000597051977 343442050 /nfs/dbraw/zinc/44/20/50/343442050.db2.gz HSCNXQWZOIYJMI-CABCVRRESA-N 1 3 294.443 1.411 10 30 CDEEHO C[C@H](C[C@](C)(N)C#N)N1CCC(C[NH+](C)C)CC1 ZINC000084293404 178846089 /nfs/dbraw/zinc/84/60/89/178846089.db2.gz KFMXZUMVRJDBKE-OCCSQVGLSA-N 1 3 252.406 1.280 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001660476562 1172219477 /nfs/dbraw/zinc/21/94/77/1172219477.db2.gz WBPHUFCRDJTBGH-HZPDHXFCSA-N 1 3 293.455 1.709 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000417545932 377933951 /nfs/dbraw/zinc/93/39/51/377933951.db2.gz YQFFYXFWWIHHHH-VXGBXAGGSA-N 1 3 268.405 1.062 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000417545926 377934239 /nfs/dbraw/zinc/93/42/39/377934239.db2.gz YQFFYXFWWIHHHH-NEPJUHHUSA-N 1 3 268.405 1.062 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@H](N)c2ccccc2)CCC[NH2+]1 ZINC000662412436 412981045 /nfs/dbraw/zinc/98/10/45/412981045.db2.gz FMSXOJXSZIHIQE-GOEBONIOSA-N 1 3 273.380 1.501 10 30 CDEEHO C=C(C)CN1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001665658951 1173033026 /nfs/dbraw/zinc/03/30/26/1173033026.db2.gz GOEQITDPCJUVTB-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@@H]2CCN(CCC)C2)CCC[NH2+]1 ZINC000662910264 413694345 /nfs/dbraw/zinc/69/43/45/413694345.db2.gz MZERZCVLQOBGIZ-UKRRQHHQSA-N 1 3 265.401 1.285 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001671431736 1173682871 /nfs/dbraw/zinc/68/28/71/1173682871.db2.gz KKZKCBQQULTOCZ-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001671431736 1173682876 /nfs/dbraw/zinc/68/28/76/1173682876.db2.gz KKZKCBQQULTOCZ-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO CN1CCC[C@@H]2C[N@H+](CCOCCC#N)CC[C@@H]21 ZINC000339020152 327008146 /nfs/dbraw/zinc/00/81/46/327008146.db2.gz DEXQYVKTUBALAK-KGLIPLIRSA-N 1 3 251.374 1.333 10 30 CDEEHO CN1CCC[C@@H]2C[N@@H+](CCOCCC#N)CC[C@@H]21 ZINC000339020152 327008147 /nfs/dbraw/zinc/00/81/47/327008147.db2.gz DEXQYVKTUBALAK-KGLIPLIRSA-N 1 3 251.374 1.333 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001691481668 1159375493 /nfs/dbraw/zinc/37/54/93/1159375493.db2.gz QVPHCGMVXVBCCZ-GASCZTMLSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001691499723 1159849970 /nfs/dbraw/zinc/84/99/70/1159849970.db2.gz AIGVGVONQJCGOQ-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001716849943 1180438361 /nfs/dbraw/zinc/43/83/61/1180438361.db2.gz HWKVEXPVORPLNW-DZGCQCFKSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001716849943 1180438365 /nfs/dbraw/zinc/43/83/65/1180438365.db2.gz HWKVEXPVORPLNW-DZGCQCFKSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000334892423 526428814 /nfs/dbraw/zinc/42/88/14/526428814.db2.gz NGPDCXJSKPCSPF-HIFRSBDPSA-N 1 3 292.427 1.030 10 30 CDEEHO NCC#Cc1cccc(OCC[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000049608328 527152890 /nfs/dbraw/zinc/15/28/90/527152890.db2.gz RHRVSTJWIDOZJS-INIZCTEOSA-N 1 3 288.391 1.080 10 30 CDEEHO NCC#Cc1cccc(OCC[N@H+]2CCC[C@H](CO)C2)c1 ZINC000049608328 527152891 /nfs/dbraw/zinc/15/28/91/527152891.db2.gz RHRVSTJWIDOZJS-INIZCTEOSA-N 1 3 288.391 1.080 10 30 CDEEHO NCC#Cc1ccccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052763110 527153846 /nfs/dbraw/zinc/15/38/46/527153846.db2.gz WZEYCHBDCKHYNZ-KRWDZBQOSA-N 1 3 272.392 1.734 10 30 CDEEHO NCC#Cc1ccccc1C[N@H+]1CCC[C@H]1CCCO ZINC000052763110 527153850 /nfs/dbraw/zinc/15/38/50/527153850.db2.gz WZEYCHBDCKHYNZ-KRWDZBQOSA-N 1 3 272.392 1.734 10 30 CDEEHO C=CCN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H](C)COC ZINC000903768195 626085143 /nfs/dbraw/zinc/08/51/43/626085143.db2.gz LTUVXMQFEGNSQW-QLFBSQMISA-N 1 3 268.401 1.278 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001670687092 1158691036 /nfs/dbraw/zinc/69/10/36/1158691036.db2.gz OVNLDMNTEBRDFF-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001690821372 1158777937 /nfs/dbraw/zinc/77/79/37/1158777937.db2.gz VEVCEGUDFYOJGW-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001690821372 1158777942 /nfs/dbraw/zinc/77/79/42/1158777942.db2.gz VEVCEGUDFYOJGW-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001699933687 1158849667 /nfs/dbraw/zinc/84/96/67/1158849667.db2.gz JABRUKXJIGCTHP-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)C(C)C ZINC001568450933 1169294846 /nfs/dbraw/zinc/29/48/46/1169294846.db2.gz FPTWPVMOWMTYNO-HUUCEWRRSA-N 1 3 279.428 1.223 10 30 CDEEHO C#CCN1CCC2(C[C@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001656398928 1171819711 /nfs/dbraw/zinc/81/97/11/1171819711.db2.gz RKLHYKQHQLXTJN-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCC[NH2+]CC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001668289765 1173393212 /nfs/dbraw/zinc/39/32/12/1173393212.db2.gz WNFQUCHVVDXCJN-LLVKDONJSA-N 1 3 264.373 1.321 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC001673205889 1173836595 /nfs/dbraw/zinc/83/65/95/1173836595.db2.gz JWMUBQPZECCLAY-CQSZACIVSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001674938217 1174039794 /nfs/dbraw/zinc/03/97/94/1174039794.db2.gz KACCHJMJNQIVFC-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001674938217 1174039799 /nfs/dbraw/zinc/03/97/99/1174039799.db2.gz KACCHJMJNQIVFC-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001698970611 1176000894 /nfs/dbraw/zinc/00/08/94/1176000894.db2.gz AUSRHSYNJGSRDH-HUUCEWRRSA-N 1 3 279.428 1.082 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001700321033 1176848347 /nfs/dbraw/zinc/84/83/47/1176848347.db2.gz VRBTWWXNKROTFP-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCN1C(C)C ZINC001700517237 1176991864 /nfs/dbraw/zinc/99/18/64/1176991864.db2.gz KMXUUVAYFXGUCZ-HZPDHXFCSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001713558393 1178646359 /nfs/dbraw/zinc/64/63/59/1178646359.db2.gz ILGPMZQICZISET-HZPDHXFCSA-N 1 3 291.439 1.770 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001713558393 1178646362 /nfs/dbraw/zinc/64/63/62/1178646362.db2.gz ILGPMZQICZISET-HZPDHXFCSA-N 1 3 291.439 1.770 10 30 CDEEHO C#CCCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001713704622 1178716838 /nfs/dbraw/zinc/71/68/38/1178716838.db2.gz ZFCMZJIYDIMKLX-DLBZAZTESA-N 1 3 299.418 1.409 10 30 CDEEHO C#CCCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001713704622 1178716840 /nfs/dbraw/zinc/71/68/40/1178716840.db2.gz ZFCMZJIYDIMKLX-DLBZAZTESA-N 1 3 299.418 1.409 10 30 CDEEHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001713939772 1178866860 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CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001715008025 1179506911 /nfs/dbraw/zinc/50/69/11/1179506911.db2.gz DRPFVAAUBIRVNP-GDBMZVCRSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)CC[NH2+][C@H](CC)CNC(=O)CN1CC[C@H](C)C1 ZINC001715081575 1179544127 /nfs/dbraw/zinc/54/41/27/1179544127.db2.gz OBMVLCKIJMFCAC-LSDHHAIUSA-N 1 3 281.444 1.779 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001715414106 1179661144 /nfs/dbraw/zinc/66/11/44/1179661144.db2.gz CKIFXEWLRHPUAV-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001716062069 1180027234 /nfs/dbraw/zinc/02/72/34/1180027234.db2.gz SAMOAUZZZQKDMU-KGLIPLIRSA-N 1 3 279.428 1.531 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001716440102 1180211868 /nfs/dbraw/zinc/21/18/68/1180211868.db2.gz OTYXDVIIVOOFDF-LBPRGKRZSA-N 1 3 253.390 1.141 10 30 CDEEHO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001717811175 1180871633 /nfs/dbraw/zinc/87/16/33/1180871633.db2.gz BVKHURSRSAYIOO-UONOGXRCSA-N 1 3 277.412 1.073 10 30 CDEEHO CC#CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001717895289 1180918304 /nfs/dbraw/zinc/91/83/04/1180918304.db2.gz ISVCJSDPGHGLBF-HNNXBMFYSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CC[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001724250201 1181658378 /nfs/dbraw/zinc/65/83/78/1181658378.db2.gz NDBLWYKYFHTGPI-HOCLYGCPSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCC1 ZINC001724785612 1181753755 /nfs/dbraw/zinc/75/37/55/1181753755.db2.gz IQEODGIJNZDBKL-CQSZACIVSA-N 1 3 279.428 1.674 10 30 CDEEHO C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001724859797 1181780219 /nfs/dbraw/zinc/78/02/19/1181780219.db2.gz JMQBDPXCEHKDAQ-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001724859797 1181780223 /nfs/dbraw/zinc/78/02/23/1181780223.db2.gz JMQBDPXCEHKDAQ-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO C#CC[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001731379932 1182347256 /nfs/dbraw/zinc/34/72/56/1182347256.db2.gz ZJASQMUODFVNNP-CQSZACIVSA-N 1 3 289.423 1.075 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001731422759 1182377072 /nfs/dbraw/zinc/37/70/72/1182377072.db2.gz XIAYFFMYHHPHPQ-ZDUSSCGKSA-N 1 3 276.384 1.309 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001731422759 1182377078 /nfs/dbraw/zinc/37/70/78/1182377078.db2.gz XIAYFFMYHHPHPQ-ZDUSSCGKSA-N 1 3 276.384 1.309 10 30 CDEEHO C=CCCN1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001733236266 1183360545 /nfs/dbraw/zinc/36/05/45/1183360545.db2.gz HLMIIYHNASBSRU-HNNXBMFYSA-N 1 3 279.428 1.629 10 30 CDEEHO C=C(C)C[NH+]1CCC(C)(NC(=O)CN(C)CCC)CC1 ZINC001733363163 1183410716 /nfs/dbraw/zinc/41/07/16/1183410716.db2.gz LRKGFIJVOANYBM-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[N@H+]1CCC[C@](C)(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001733464492 1183440437 /nfs/dbraw/zinc/44/04/37/1183440437.db2.gz ROMXIBFKVWSMRX-DOTOQJQBSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001733464492 1183440440 /nfs/dbraw/zinc/44/04/40/1183440440.db2.gz ROMXIBFKVWSMRX-DOTOQJQBSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[C@H](O)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262602 698004818 /nfs/dbraw/zinc/00/48/18/698004818.db2.gz QCXLQZZHQXHKHG-HOCLYGCPSA-N 1 3 275.396 1.919 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000876739877 698300897 /nfs/dbraw/zinc/30/08/97/698300897.db2.gz JUMMRFHACIYKQL-CHWSQXEVSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000876739877 698300900 /nfs/dbraw/zinc/30/09/00/698300900.db2.gz JUMMRFHACIYKQL-CHWSQXEVSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000876913285 698853555 /nfs/dbraw/zinc/85/35/55/698853555.db2.gz PSFNZXBFOFJXSM-FRRDWIJNSA-N 1 3 285.819 1.447 10 30 CDEEHO C[NH+]=C(NCc1nccs1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000245614578 704868690 /nfs/dbraw/zinc/86/86/90/704868690.db2.gz MESHNXSETWJCAU-NWDGAFQWSA-N 1 3 295.456 1.537 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC000876888621 848045239 /nfs/dbraw/zinc/04/52/39/848045239.db2.gz GDVVQYKRQBSYAJ-LLVKDONJSA-N 1 3 261.797 1.257 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000876876752 848136204 /nfs/dbraw/zinc/13/62/04/848136204.db2.gz ULYDDQOTHZWIJU-NEPJUHHUSA-N 1 3 273.808 1.399 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)[C@@H]1CCCCN1CC)C1CC1 ZINC001566604066 1168353975 /nfs/dbraw/zinc/35/39/75/1168353975.db2.gz NLMSEPZULKLBIS-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)[C@@H]1CCCCN1CC)C1CC1 ZINC001566604066 1168353983 /nfs/dbraw/zinc/35/39/83/1168353983.db2.gz NLMSEPZULKLBIS-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001566825802 1168432782 /nfs/dbraw/zinc/43/27/82/1168432782.db2.gz BEZAROFWUVHQOW-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001566825802 1168432787 /nfs/dbraw/zinc/43/27/87/1168432787.db2.gz BEZAROFWUVHQOW-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001566929430 1168471071 /nfs/dbraw/zinc/47/10/71/1168471071.db2.gz ZZMPIAXPZXWBHR-GJZGRUSLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCN1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001566929430 1168471073 /nfs/dbraw/zinc/47/10/73/1168471073.db2.gz ZZMPIAXPZXWBHR-GJZGRUSLSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001266517478 895195144 /nfs/dbraw/zinc/19/51/44/895195144.db2.gz KICUVBJWKKTRGP-GJZGRUSLSA-N 1 3 297.418 1.128 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001266517478 895195147 /nfs/dbraw/zinc/19/51/47/895195147.db2.gz KICUVBJWKKTRGP-GJZGRUSLSA-N 1 3 297.418 1.128 10 30 CDEEHO C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001481111210 898877300 /nfs/dbraw/zinc/87/73/00/898877300.db2.gz GHAPDVSZXNBTKM-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001481111210 898877307 /nfs/dbraw/zinc/87/73/07/898877307.db2.gz GHAPDVSZXNBTKM-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001267820698 899809421 /nfs/dbraw/zinc/80/94/21/899809421.db2.gz HHIAVIBGABBGON-HZPDHXFCSA-N 1 3 293.455 1.757 10 30 CDEEHO CC#CC[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001267841375 899854136 /nfs/dbraw/zinc/85/41/36/899854136.db2.gz RMLWFPBMOUATOB-HNNXBMFYSA-N 1 3 291.439 1.370 10 30 CDEEHO CC#CC[NH2+]CCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001267910474 899954277 /nfs/dbraw/zinc/95/42/77/899954277.db2.gz JLIYLAHESBGFGD-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001268404205 902002275 /nfs/dbraw/zinc/00/22/75/902002275.db2.gz RPKKBDLETWEQPH-CVEARBPZSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CC[NH2+]C[C@](C)(NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001481941871 902382716 /nfs/dbraw/zinc/38/27/16/902382716.db2.gz YIAQTTJVGXAOBU-BBRMVZONSA-N 1 3 279.428 1.389 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1CC ZINC001269182621 903511482 /nfs/dbraw/zinc/51/14/82/903511482.db2.gz PMRFKLZTSVIAGK-HIFRSBDPSA-N 1 3 288.395 1.192 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001271402433 906303399 /nfs/dbraw/zinc/30/33/99/906303399.db2.gz FBIWYZHVPKPJLE-GJZGRUSLSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCNC/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001483076516 909289303 /nfs/dbraw/zinc/28/93/03/909289303.db2.gz UAYAJTULOOUQJN-WAYWQWQTSA-N 1 3 277.412 1.002 10 30 CDEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484098605 915431707 /nfs/dbraw/zinc/43/17/07/915431707.db2.gz WYNYCEDBERSWNU-KRWDZBQOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484347456 915655880 /nfs/dbraw/zinc/65/58/80/915655880.db2.gz IJAZRWSPNOXXDW-CHWSQXEVSA-N 1 3 276.384 1.355 10 30 CDEEHO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001484466506 915793916 /nfs/dbraw/zinc/79/39/16/915793916.db2.gz UKRLPYGKSNVISL-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CCC ZINC001484466506 915793926 /nfs/dbraw/zinc/79/39/26/915793926.db2.gz UKRLPYGKSNVISL-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001273204252 924840995 /nfs/dbraw/zinc/84/09/95/924840995.db2.gz KWSCUHCJXKOADE-CYBMUJFWSA-N 1 3 255.406 1.387 10 30 CDEEHO C=CCC[N@@H+](C)CCCNC(=O)[C@H]1CCCCN1CC ZINC001490281789 927076364 /nfs/dbraw/zinc/07/63/64/927076364.db2.gz NDIFGVLQFIQMIQ-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[N@H+](C)CCCNC(=O)[C@H]1CCCCN1CC ZINC001490281789 927076378 /nfs/dbraw/zinc/07/63/78/927076378.db2.gz NDIFGVLQFIQMIQ-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCN1CCC(NC(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001136671091 931246841 /nfs/dbraw/zinc/24/68/41/931246841.db2.gz XHBQWVGRUFFGOU-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001293032947 931602709 /nfs/dbraw/zinc/60/27/09/931602709.db2.gz GZTOCSASQQQZCU-HNNXBMFYSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001293032947 931602713 /nfs/dbraw/zinc/60/27/13/931602713.db2.gz GZTOCSASQQQZCU-HNNXBMFYSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001276432225 939717473 /nfs/dbraw/zinc/71/74/73/939717473.db2.gz KYCNAOIVCIJAKQ-GDBMZVCRSA-N 1 3 295.471 1.975 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001263864305 944012173 /nfs/dbraw/zinc/01/21/73/944012173.db2.gz RXBOHBFOVWYGHW-KKUMJFAQSA-N 1 3 279.428 1.080 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001479338747 971300988 /nfs/dbraw/zinc/30/09/88/971300988.db2.gz ZKKJDYHGRRSJDT-MCIONIFRSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001479338747 971300999 /nfs/dbraw/zinc/30/09/99/971300999.db2.gz ZKKJDYHGRRSJDT-MCIONIFRSA-N 1 3 299.846 1.565 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1CC ZINC001479636898 971354587 /nfs/dbraw/zinc/35/45/87/971354587.db2.gz HLCKABWBUPTYPY-XHSDSOJGSA-N 1 3 293.455 1.565 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1CC ZINC001479636898 971354590 /nfs/dbraw/zinc/35/45/90/971354590.db2.gz HLCKABWBUPTYPY-XHSDSOJGSA-N 1 3 293.455 1.565 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001480088483 971569956 /nfs/dbraw/zinc/56/99/56/971569956.db2.gz IXDQZGHWUFMQDZ-HUUCEWRRSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001480088483 971569962 /nfs/dbraw/zinc/56/99/62/971569962.db2.gz IXDQZGHWUFMQDZ-HUUCEWRRSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001480088481 971572789 /nfs/dbraw/zinc/57/27/89/971572789.db2.gz IXDQZGHWUFMQDZ-CABCVRRESA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001480088481 971572795 /nfs/dbraw/zinc/57/27/95/971572795.db2.gz IXDQZGHWUFMQDZ-CABCVRRESA-N 1 3 281.444 1.683 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001480834472 971897155 /nfs/dbraw/zinc/89/71/55/971897155.db2.gz PIESKLGGJRXAMG-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001480834472 971897159 /nfs/dbraw/zinc/89/71/59/971897159.db2.gz PIESKLGGJRXAMG-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)CCC ZINC001329170580 955732154 /nfs/dbraw/zinc/73/21/54/955732154.db2.gz IOASSMHXFLKECD-QWHCGFSZSA-N 1 3 255.406 1.387 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001329459044 955927531 /nfs/dbraw/zinc/92/75/31/955927531.db2.gz GUBKYWPCOOJTBW-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001329459044 955927547 /nfs/dbraw/zinc/92/75/47/955927547.db2.gz GUBKYWPCOOJTBW-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494173764 972193376 /nfs/dbraw/zinc/19/33/76/972193376.db2.gz WTHCRSGNNCTGTP-JKSUJKDBSA-N 1 3 295.471 1.929 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494173764 972193380 /nfs/dbraw/zinc/19/33/80/972193380.db2.gz WTHCRSGNNCTGTP-JKSUJKDBSA-N 1 3 295.471 1.929 10 30 CDEEHO CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001330835021 956658820 /nfs/dbraw/zinc/65/88/20/956658820.db2.gz ICJRTFGRONINKA-CABCVRRESA-N 1 3 281.444 1.470 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001331936489 957349464 /nfs/dbraw/zinc/34/94/64/957349464.db2.gz CCNJOWNMLWXWAK-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCOCCN1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001332197608 957474595 /nfs/dbraw/zinc/47/45/95/957474595.db2.gz DHLUKRFWFDNUNJ-CABCVRRESA-N 1 3 297.443 1.110 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001332807038 957850439 /nfs/dbraw/zinc/85/04/39/957850439.db2.gz NMSDJLAQACBWMG-OAHLLOKOSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(Cl)C[NH2+]CC1CC(NC(=O)CN(C)CCC)C1 ZINC001447820918 966887283 /nfs/dbraw/zinc/88/72/83/966887283.db2.gz NIZVQUPSSMYBGY-UHFFFAOYSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001448497306 967130457 /nfs/dbraw/zinc/13/04/57/967130457.db2.gz RMPFTEAWSRVHKI-AAVRWANBSA-N 1 3 299.846 1.564 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001448497306 967130463 /nfs/dbraw/zinc/13/04/63/967130463.db2.gz RMPFTEAWSRVHKI-AAVRWANBSA-N 1 3 299.846 1.564 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001496569355 972973564 /nfs/dbraw/zinc/97/35/64/972973564.db2.gz IWBNQYZZFRLLLT-CABCVRRESA-N 1 3 281.444 1.326 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001497762772 973490147 /nfs/dbraw/zinc/49/01/47/973490147.db2.gz JRNLLXVAVIVVDF-MWWKQMNYSA-N 1 3 291.439 1.392 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001497762776 973490796 /nfs/dbraw/zinc/49/07/96/973490796.db2.gz JRNLLXVAVIVVDF-WLMCBFPDSA-N 1 3 291.439 1.392 10 30 CDEEHO C[C@@H](CNCC#Cc1ccccc1)NC(=O)CC[NH+](C)C ZINC001498106913 973684120 /nfs/dbraw/zinc/68/41/20/973684120.db2.gz YWEJKVCUAXPZKU-HNNXBMFYSA-N 1 3 287.407 1.084 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001498771376 974057851 /nfs/dbraw/zinc/05/78/51/974057851.db2.gz YFZORDVSISBDIT-HOTGVXAUSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001498832888 974072410 /nfs/dbraw/zinc/07/24/10/974072410.db2.gz QHRRQEVGSJYHFF-HOTGVXAUSA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001501090508 974531158 /nfs/dbraw/zinc/53/11/58/974531158.db2.gz DPDFSARNHQDTDH-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001406076925 976005145 /nfs/dbraw/zinc/00/51/45/976005145.db2.gz VOOZZZGTNIFQGE-STQMWFEESA-N 1 3 287.835 1.421 10 30 CDEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001406076925 976005157 /nfs/dbraw/zinc/00/51/57/976005157.db2.gz VOOZZZGTNIFQGE-STQMWFEESA-N 1 3 287.835 1.421 10 30 CDEEHO C=CCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001570849595 1170300848 /nfs/dbraw/zinc/30/08/48/1170300848.db2.gz KFXCTIKWLVCSGU-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001571370896 1170389817 /nfs/dbraw/zinc/38/98/17/1170389817.db2.gz FOVPELJZAKROCJ-GJZGRUSLSA-N 1 3 279.428 1.032 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000594435509 342898880 /nfs/dbraw/zinc/89/88/80/342898880.db2.gz GNZCMQSCVPPUIC-QWHCGFSZSA-N 1 3 266.389 1.046 10 30 CDEEHO C[C@H](CNC(=O)[C@H](N)CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594438245 342906440 /nfs/dbraw/zinc/90/64/40/342906440.db2.gz NNVCCVGKOYZDBR-HUUCEWRRSA-N 1 3 294.443 1.634 10 30 CDEEHO CCC[NH+]1CCC(NC[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600714489 342244061 /nfs/dbraw/zinc/24/40/61/342244061.db2.gz NBNSIDGKHDNAMB-AWEZNQCLSA-N 1 3 265.401 1.505 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001660476561 1172220304 /nfs/dbraw/zinc/22/03/04/1172220304.db2.gz WBPHUFCRDJTBGH-HOTGVXAUSA-N 1 3 293.455 1.709 10 30 CDEEHO C[C@H](N)[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423454799 374383966 /nfs/dbraw/zinc/38/39/66/374383966.db2.gz ZPHKMOTYZBAAMN-KBPBESRZSA-N 1 3 286.423 1.848 10 30 CDEEHO C[C@H]([NH3+])[C@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423454799 374383976 /nfs/dbraw/zinc/38/39/76/374383976.db2.gz ZPHKMOTYZBAAMN-KBPBESRZSA-N 1 3 286.423 1.848 10 30 CDEEHO C[C@H](O)C[NH+]1CCC(CN(C)C[C@H](C#N)CCC#N)CC1 ZINC000069849171 376739818 /nfs/dbraw/zinc/73/98/18/376739818.db2.gz FCBFJOLTXGGQBA-HOCLYGCPSA-N 1 3 292.427 1.455 10 30 CDEEHO C=CC[C@@]1(C(=O)N(C)C[C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000662684172 413306729 /nfs/dbraw/zinc/30/67/29/413306729.db2.gz BCFXYVUTWOQGBK-ZBFHGGJFSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCN1CCC([NH2+]C[C@@H](C)CN2CCCCC2)CC1 ZINC000038042037 174044491 /nfs/dbraw/zinc/04/44/91/174044491.db2.gz SJCRRXVARBAWNN-MRXNPFEDSA-N 1 3 277.456 1.796 10 30 CDEEHO C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001673946451 1173900954 /nfs/dbraw/zinc/90/09/54/1173900954.db2.gz NJWFNEZYGQQNTJ-AWEZNQCLSA-N 1 3 279.428 1.627 10 30 CDEEHO C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000262491143 330017449 /nfs/dbraw/zinc/01/74/49/330017449.db2.gz VAJFBLLSFQVFGG-RDBSUJKOSA-N 1 3 282.432 1.142 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001691473759 1159333828 /nfs/dbraw/zinc/33/38/28/1159333828.db2.gz HHPWUEMSNTXNLJ-CQSZACIVSA-N 1 3 267.417 1.178 10 30 CDEEHO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001267593584 1159495959 /nfs/dbraw/zinc/49/59/59/1159495959.db2.gz NXMZGVKXHFHPRK-HNNXBMFYSA-N 1 3 279.428 1.132 10 30 CDEEHO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001267593584 1159495964 /nfs/dbraw/zinc/49/59/64/1159495964.db2.gz NXMZGVKXHFHPRK-HNNXBMFYSA-N 1 3 279.428 1.132 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001671383207 1160155320 /nfs/dbraw/zinc/15/53/20/1160155320.db2.gz ACXFSPDKKJTUKG-OAHLLOKOSA-N 1 3 279.428 1.629 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001691564135 1160701353 /nfs/dbraw/zinc/70/13/53/1160701353.db2.gz BQWXQNRISZSVDK-CQSZACIVSA-N 1 3 269.433 1.587 10 30 CDEEHO C=C(C)CN1CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001715043732 1179524411 /nfs/dbraw/zinc/52/44/11/1179524411.db2.gz JYGBESQVXKLBND-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)CN1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001715043732 1179524416 /nfs/dbraw/zinc/52/44/16/1179524416.db2.gz JYGBESQVXKLBND-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CC[N@@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001731246354 1182274447 /nfs/dbraw/zinc/27/44/47/1182274447.db2.gz VUVOOLMCDOHNBK-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[N@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001731246354 1182274457 /nfs/dbraw/zinc/27/44/57/1182274457.db2.gz VUVOOLMCDOHNBK-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001690260880 1175412871 /nfs/dbraw/zinc/41/28/71/1175412871.db2.gz CKJYQZDOCAKINZ-INIZCTEOSA-N 1 3 291.439 1.466 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001690388584 1175456841 /nfs/dbraw/zinc/45/68/41/1175456841.db2.gz MAVYKXDKLOTKQI-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001690388584 1175456843 /nfs/dbraw/zinc/45/68/43/1175456843.db2.gz MAVYKXDKLOTKQI-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001567708920 1168929343 /nfs/dbraw/zinc/92/93/43/1168929343.db2.gz CWHXBTWTBWLMMW-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001567708920 1168929350 /nfs/dbraw/zinc/92/93/50/1168929350.db2.gz CWHXBTWTBWLMMW-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001568999585 1169586957 /nfs/dbraw/zinc/58/69/57/1169586957.db2.gz UHIHURJZKHKDGY-CHWSQXEVSA-N 1 3 255.406 1.387 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001569319661 1169762120 /nfs/dbraw/zinc/76/21/20/1169762120.db2.gz BWTWYUJNOAYZIA-OAHLLOKOSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001570540806 1170184314 /nfs/dbraw/zinc/18/43/14/1170184314.db2.gz TURXSQATRTXMPL-CYBMUJFWSA-N 1 3 253.390 1.047 10 30 CDEEHO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001571494122 1170453727 /nfs/dbraw/zinc/45/37/27/1170453727.db2.gz ZVBAWAYBQPYIJL-CHWSQXEVSA-N 1 3 253.390 1.092 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001656176113 1171784287 /nfs/dbraw/zinc/78/42/87/1171784287.db2.gz OTJJWWYZRQDPAI-YHUYYLMFSA-N 1 3 291.439 1.367 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001674672183 1173984871 /nfs/dbraw/zinc/98/48/71/1173984871.db2.gz DZZKUMBNUVWXLI-QWHCGFSZSA-N 1 3 267.417 1.530 10 30 CDEEHO CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001700646100 1177054376 /nfs/dbraw/zinc/05/43/76/1177054376.db2.gz SGPXDVNYMCJJIU-LDKKBFSKSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CCN(CC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001714584885 1179243826 /nfs/dbraw/zinc/24/38/26/1179243826.db2.gz IRRGZSBITOCDLW-UHFFFAOYSA-N 1 3 279.428 1.487 10 30 CDEEHO C=CCN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001714847170 1179420135 /nfs/dbraw/zinc/42/01/35/1179420135.db2.gz JQBAJPJKOJYTAJ-INIZCTEOSA-N 1 3 299.418 1.715 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001714876919 1179433430 /nfs/dbraw/zinc/43/34/30/1179433430.db2.gz ORAVBOGJLXCTPJ-HUUCEWRRSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001714876919 1179433434 /nfs/dbraw/zinc/43/34/34/1179433434.db2.gz ORAVBOGJLXCTPJ-HUUCEWRRSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001715319074 1179620478 /nfs/dbraw/zinc/62/04/78/1179620478.db2.gz FUZMPHKNYASEDE-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001716769712 1180407039 /nfs/dbraw/zinc/40/70/39/1180407039.db2.gz FEHCHHSNZASNIH-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001716824405 1180425512 /nfs/dbraw/zinc/42/55/12/1180425512.db2.gz CDTGXFAMHJKMEX-MRXNPFEDSA-N 1 3 293.455 1.615 10 30 CDEEHO CC#CCN1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001716897513 1180456251 /nfs/dbraw/zinc/45/62/51/1180456251.db2.gz CQKAGBSKOPOUPF-KRWDZBQOSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001716901013 1180458758 /nfs/dbraw/zinc/45/87/58/1180458758.db2.gz ZDNAVCGWNZUCMK-INIZCTEOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001716901013 1180458765 /nfs/dbraw/zinc/45/87/65/1180458765.db2.gz ZDNAVCGWNZUCMK-INIZCTEOSA-N 1 3 281.444 1.733 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001717811173 1180870108 /nfs/dbraw/zinc/87/01/08/1180870108.db2.gz BVKHURSRSAYIOO-KBPBESRZSA-N 1 3 277.412 1.073 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001723939165 1181625389 /nfs/dbraw/zinc/62/53/89/1181625389.db2.gz CMFJPDLIGGSTTJ-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001724014637 1181629651 /nfs/dbraw/zinc/62/96/51/1181629651.db2.gz QZVCJDVNHFMWSG-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001725056662 1181837578 /nfs/dbraw/zinc/83/75/78/1181837578.db2.gz DSGXKRAJNLDHSP-AWEZNQCLSA-N 1 3 265.401 1.191 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001725056662 1181837580 /nfs/dbraw/zinc/83/75/80/1181837580.db2.gz DSGXKRAJNLDHSP-AWEZNQCLSA-N 1 3 265.401 1.191 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001725369251 1181977794 /nfs/dbraw/zinc/97/77/94/1181977794.db2.gz NWEBWJBGSRXUEK-HDJSIYSDSA-N 1 3 290.411 1.711 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001725602730 1182070084 /nfs/dbraw/zinc/07/00/84/1182070084.db2.gz FSDKVQXWGVVMKX-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001725630476 1182077205 /nfs/dbraw/zinc/07/72/05/1182077205.db2.gz FXHKQMBXRABCDN-LSDHHAIUSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC=C)C2CC2)CC1 ZINC001731411355 1182369961 /nfs/dbraw/zinc/36/99/61/1182369961.db2.gz SGNLQRFDOQCMLH-MRXNPFEDSA-N 1 3 289.423 1.002 10 30 CDEEHO C=CCC[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001734273506 1183710421 /nfs/dbraw/zinc/71/04/21/1183710421.db2.gz RUGHBKYRCYBYRM-UHFFFAOYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001734273506 1183710423 /nfs/dbraw/zinc/71/04/23/1183710423.db2.gz RUGHBKYRCYBYRM-UHFFFAOYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001734432615 1183777449 /nfs/dbraw/zinc/77/74/49/1183777449.db2.gz NUQYRHFGPDEMOL-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCCC[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001734596662 1183840184 /nfs/dbraw/zinc/84/01/84/1183840184.db2.gz BLDZNLXHTPMMSK-UHFFFAOYSA-N 1 3 276.384 1.497 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000876507974 705311252 /nfs/dbraw/zinc/31/12/52/705311252.db2.gz QYJVDRQNEJBMPX-GFCCVEGCSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000876510504 705396414 /nfs/dbraw/zinc/39/64/14/705396414.db2.gz UTVKGLUEJPXGSB-LLVKDONJSA-N 1 3 273.808 1.624 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877180529 705350072 /nfs/dbraw/zinc/35/00/72/705350072.db2.gz ZBLBYUQJHCNXTJ-DCAQKATOSA-N 1 3 259.781 1.090 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000876956909 705748441 /nfs/dbraw/zinc/74/84/41/705748441.db2.gz RJMZDXHJHRHHTP-YNEHKIRRSA-N 1 3 285.819 1.589 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000876956909 705748444 /nfs/dbraw/zinc/74/84/44/705748444.db2.gz RJMZDXHJHRHHTP-YNEHKIRRSA-N 1 3 285.819 1.589 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000876768302 705820718 /nfs/dbraw/zinc/82/07/18/705820718.db2.gz HDQFOZCBXIOIHD-WOPDTQHZSA-N 1 3 273.808 1.445 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000877141746 709614965 /nfs/dbraw/zinc/61/49/65/709614965.db2.gz KKYOETUWONQTNO-CQSZACIVSA-N 1 3 293.798 1.418 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000876876867 710191193 /nfs/dbraw/zinc/19/11/93/710191193.db2.gz WFVRNNLSHJRUTJ-YPMHNXCESA-N 1 3 287.835 1.645 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000876535716 710442699 /nfs/dbraw/zinc/44/26/99/710442699.db2.gz JMFYJYHMWWXVBG-ZYHUDNBSSA-N 1 3 261.797 1.336 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000876883160 710615485 /nfs/dbraw/zinc/61/54/85/710615485.db2.gz ARCHPQNMPVZLAH-RYUDHWBXSA-N 1 3 273.808 1.399 10 30 CDEEHO COC[C@H](CCC[NH3+])NCc1cc(C#N)ccc1F ZINC000925815688 711638645 /nfs/dbraw/zinc/63/86/45/711638645.db2.gz YMRCNFYHWQUENK-ZDUSSCGKSA-N 1 3 265.332 1.541 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000876867810 711675747 /nfs/dbraw/zinc/67/57/47/711675747.db2.gz MQHFYUOTVFDGSR-WDEREUQCSA-N 1 3 259.781 1.105 10 30 CDEEHO C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001568685409 1167539274 /nfs/dbraw/zinc/53/92/74/1167539274.db2.gz WZMFHTUTVKHOBV-GJZGRUSLSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001566909693 1168462621 /nfs/dbraw/zinc/46/26/21/1168462621.db2.gz CWGRDEHBJBQDNU-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCN1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001566930574 1168471095 /nfs/dbraw/zinc/47/10/95/1168471095.db2.gz ZVRXFIYFJUMAIQ-HNNXBMFYSA-N 1 3 277.412 1.076 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266546832 895303816 /nfs/dbraw/zinc/30/38/16/895303816.db2.gz XUXWQCBNXIRBSQ-HUUCEWRRSA-N 1 3 279.428 1.034 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266546832 895303829 /nfs/dbraw/zinc/30/38/29/895303829.db2.gz XUXWQCBNXIRBSQ-HUUCEWRRSA-N 1 3 279.428 1.034 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001267046051 896630333 /nfs/dbraw/zinc/63/03/33/896630333.db2.gz WXJMQVITADGRCP-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001267113060 896826129 /nfs/dbraw/zinc/82/61/29/896826129.db2.gz CMNKECXJNTVEID-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001267113060 896826145 /nfs/dbraw/zinc/82/61/45/896826145.db2.gz CMNKECXJNTVEID-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[C@H](C)[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001267217418 897181151 /nfs/dbraw/zinc/18/11/51/897181151.db2.gz GOCHEMMPRVJWRN-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001267217418 897181164 /nfs/dbraw/zinc/18/11/64/897181164.db2.gz GOCHEMMPRVJWRN-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001481630560 901523827 /nfs/dbraw/zinc/52/38/27/901523827.db2.gz LIPMRLQYGLCRRJ-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001284195362 902666681 /nfs/dbraw/zinc/66/66/81/902666681.db2.gz JZPDJIFACPIFQD-HUUCEWRRSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)[C@H](CC)N(C)C ZINC001268852457 903180396 /nfs/dbraw/zinc/18/03/96/903180396.db2.gz OCRSNPZHJJLVFR-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001482369191 905219558 /nfs/dbraw/zinc/21/95/58/905219558.db2.gz LLMXLLSFFBUGDW-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001482454369 905627218 /nfs/dbraw/zinc/62/72/18/905627218.db2.gz WOBZGJRXUULXDU-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)C[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001485739286 917235715 /nfs/dbraw/zinc/23/57/15/917235715.db2.gz PJZBOQAVLGRYPE-CABCVRRESA-N 1 3 281.444 1.779 10 30 CDEEHO C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001273744262 925149450 /nfs/dbraw/zinc/14/94/50/925149450.db2.gz VFTFLIOPOQFMKT-CQSZACIVSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCCN1CC ZINC001273771376 925502284 /nfs/dbraw/zinc/50/22/84/925502284.db2.gz FWUKJDQBQWKZCX-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCN1CCC ZINC001494987202 926608966 /nfs/dbraw/zinc/60/89/66/926608966.db2.gz HQKUKWCFLMJJSM-UONOGXRCSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CCCN1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001276453116 939754658 /nfs/dbraw/zinc/75/46/58/939754658.db2.gz IQTLGRFYYUCJSK-UKRRQHHQSA-N 1 3 279.428 1.032 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)CCC ZINC001283702923 942975361 /nfs/dbraw/zinc/97/53/61/942975361.db2.gz DFXSHMQYPQIOMN-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001277866617 943902321 /nfs/dbraw/zinc/90/23/21/943902321.db2.gz WCVVAPPHSTUEIU-CQSZACIVSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001277945800 944157639 /nfs/dbraw/zinc/15/76/39/944157639.db2.gz IPFZROIKWSPLIA-CHWSQXEVSA-N 1 3 278.400 1.743 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001265623865 944449877 /nfs/dbraw/zinc/44/98/77/944449877.db2.gz GADHUEOELYDIMD-JKSUJKDBSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001278310062 945730313 /nfs/dbraw/zinc/73/03/13/945730313.db2.gz YIZBVTKOIPYASI-CVEARBPZSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001278326402 946192341 /nfs/dbraw/zinc/19/23/41/946192341.db2.gz QEKQOWJUUAUWEU-KGLIPLIRSA-N 1 3 267.417 1.482 10 30 CDEEHO C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001278422495 947874671 /nfs/dbraw/zinc/87/46/71/947874671.db2.gz DUJFANJUILAXRG-LSDHHAIUSA-N 1 3 297.443 1.108 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001569022466 1169601214 /nfs/dbraw/zinc/60/12/14/1169601214.db2.gz MHLUYCXTBVVUNE-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001480224072 971636538 /nfs/dbraw/zinc/63/65/38/971636538.db2.gz NWLJIVUUCIDRAA-XQLPTFJDSA-N 1 3 281.444 1.918 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001480365901 971690157 /nfs/dbraw/zinc/69/01/57/971690157.db2.gz MXZIIVWRKSRUGW-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001324817657 953589601 /nfs/dbraw/zinc/58/96/01/953589601.db2.gz KUDCOELBVRWXSH-INIZCTEOSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001324961658 953656004 /nfs/dbraw/zinc/65/60/04/953656004.db2.gz SRQDICIPYAYKFY-RDJZCZTQSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001324961658 953656015 /nfs/dbraw/zinc/65/60/15/953656015.db2.gz SRQDICIPYAYKFY-RDJZCZTQSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001326350800 954333025 /nfs/dbraw/zinc/33/30/25/954333025.db2.gz DBSTXHQCKXEACN-LSDHHAIUSA-N 1 3 281.444 1.587 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001327245742 954790901 /nfs/dbraw/zinc/79/09/01/954790901.db2.gz OZJPICKYZWAFHY-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001327245742 954790911 /nfs/dbraw/zinc/79/09/11/954790911.db2.gz OZJPICKYZWAFHY-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCCC[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001328915229 955551997 /nfs/dbraw/zinc/55/19/97/955551997.db2.gz INBOEJORJRJPAD-FHERZECASA-N 1 3 293.455 1.779 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CC(=C)C)CC1 ZINC001317414772 956268853 /nfs/dbraw/zinc/26/88/53/956268853.db2.gz DDYMCCOLYUIXNM-HNNXBMFYSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001340165500 956702626 /nfs/dbraw/zinc/70/26/26/956702626.db2.gz VJGXNXJNWUIZKY-HIFRSBDPSA-N 1 3 265.401 1.272 10 30 CDEEHO CC#CC[N@@H+](CC)CCCNC(=O)[C@@H](CC)N(C)C ZINC001316907322 957109938 /nfs/dbraw/zinc/10/99/38/957109938.db2.gz MFUPBKUMAUBPHU-CQSZACIVSA-N 1 3 267.417 1.178 10 30 CDEEHO CC#CC[N@H+](CC)CCCNC(=O)[C@@H](CC)N(C)C ZINC001316907322 957109944 /nfs/dbraw/zinc/10/99/44/957109944.db2.gz MFUPBKUMAUBPHU-CQSZACIVSA-N 1 3 267.417 1.178 10 30 CDEEHO C=CC[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001317294425 957407164 /nfs/dbraw/zinc/40/71/64/957407164.db2.gz LMPRMWDAGQUVOZ-ZDUSSCGKSA-N 1 3 275.396 1.642 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001317336355 957427980 /nfs/dbraw/zinc/42/79/80/957427980.db2.gz INKUFCGWUYBKCW-MRXNPFEDSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001317366467 957439332 /nfs/dbraw/zinc/43/93/32/957439332.db2.gz QMZFRUQWDONRRY-KBPBESRZSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001320171805 958986907 /nfs/dbraw/zinc/98/69/07/958986907.db2.gz NHEMPBUTKCZFIH-KGLIPLIRSA-N 1 3 290.411 1.711 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001321418244 959774530 /nfs/dbraw/zinc/77/45/30/959774530.db2.gz YDDBBJAMQHEWID-JRIJJQDJSA-N 1 3 277.412 1.145 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001321418244 959774543 /nfs/dbraw/zinc/77/45/43/959774543.db2.gz YDDBBJAMQHEWID-JRIJJQDJSA-N 1 3 277.412 1.145 10 30 CDEEHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1CC ZINC001569343109 1169774006 /nfs/dbraw/zinc/77/40/06/1169774006.db2.gz PCTTVYYXCWRYQO-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001324100239 961166171 /nfs/dbraw/zinc/16/61/71/961166171.db2.gz WVRUFBKABIJVDT-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C#Cc1ccc(N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1 ZINC001338046266 961594316 /nfs/dbraw/zinc/59/43/16/961594316.db2.gz DOWMRMXOOIACKS-AWEZNQCLSA-N 1 3 274.412 1.747 10 30 CDEEHO C#Cc1ccc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1 ZINC001338046266 961594336 /nfs/dbraw/zinc/59/43/36/961594336.db2.gz DOWMRMXOOIACKS-AWEZNQCLSA-N 1 3 274.412 1.747 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001357993669 969676732 /nfs/dbraw/zinc/67/67/32/969676732.db2.gz PZTFHAAVOHFKFP-MELADBBJSA-N 1 3 265.401 1.223 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001357993669 969676735 /nfs/dbraw/zinc/67/67/35/969676735.db2.gz PZTFHAAVOHFKFP-MELADBBJSA-N 1 3 265.401 1.223 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001496569356 972973351 /nfs/dbraw/zinc/97/33/51/972973351.db2.gz IWBNQYZZFRLLLT-GJZGRUSLSA-N 1 3 281.444 1.326 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001496626252 972999024 /nfs/dbraw/zinc/99/90/24/972999024.db2.gz BTIWJHRILLNLFV-AWEZNQCLSA-N 1 3 276.384 1.014 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001496768250 973089107 /nfs/dbraw/zinc/08/91/07/973089107.db2.gz XTAWFIFPBVWXAZ-INIZCTEOSA-N 1 3 293.455 1.522 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001496768250 973089117 /nfs/dbraw/zinc/08/91/17/973089117.db2.gz XTAWFIFPBVWXAZ-INIZCTEOSA-N 1 3 293.455 1.522 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001505434235 974877030 /nfs/dbraw/zinc/87/70/30/974877030.db2.gz NHOBAUUEKXTDNZ-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001505434235 974877035 /nfs/dbraw/zinc/87/70/35/974877035.db2.gz NHOBAUUEKXTDNZ-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001505448291 974882731 /nfs/dbraw/zinc/88/27/31/974882731.db2.gz OIGAOFVPOPSTQT-MRXNPFEDSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C(C)C ZINC001505850084 975000075 /nfs/dbraw/zinc/00/00/75/975000075.db2.gz KNGQNNQZYSUYJM-UHFFFAOYSA-N 1 3 267.417 1.034 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001398616889 976077668 /nfs/dbraw/zinc/07/76/68/976077668.db2.gz KUECZBVGZOCWST-TXEJJXNPSA-N 1 3 273.808 1.318 10 30 CDEEHO C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390718810 976453948 /nfs/dbraw/zinc/45/39/48/976453948.db2.gz KYMAERBFIRRIDX-RYUDHWBXSA-N 1 3 273.808 1.175 10 30 CDEEHO C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390718810 976453951 /nfs/dbraw/zinc/45/39/51/976453951.db2.gz KYMAERBFIRRIDX-RYUDHWBXSA-N 1 3 273.808 1.175 10 30 CDEEHO C#CCC[NH2+][C@H](CCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001571351279 1170379035 /nfs/dbraw/zinc/37/90/35/1170379035.db2.gz NPWXVSCQZBFANV-JKSUJKDBSA-N 1 3 293.455 1.472 10 30 CDEEHO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](N)CCCCC#N ZINC000594435829 342899227 /nfs/dbraw/zinc/89/92/27/342899227.db2.gz ADBNUSXNMGNWAZ-UONOGXRCSA-N 1 3 280.416 1.388 10 30 CDEEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594436678 342899460 /nfs/dbraw/zinc/89/94/60/342899460.db2.gz FJOXARVOSSRABU-QLFBSQMISA-N 1 3 294.443 1.777 10 30 CDEEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594436678 342899461 /nfs/dbraw/zinc/89/94/61/342899461.db2.gz FJOXARVOSSRABU-QLFBSQMISA-N 1 3 294.443 1.777 10 30 CDEEHO CCC[NH+]1CCC(CNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594440448 342907183 /nfs/dbraw/zinc/90/71/83/342907183.db2.gz CKNLSVRZFRSNQL-HNNXBMFYSA-N 1 3 294.443 1.636 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000594441689 342907797 /nfs/dbraw/zinc/90/77/97/342907797.db2.gz UUXXLUJJENTGOQ-HNNXBMFYSA-N 1 3 292.427 1.388 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000594444545 342908441 /nfs/dbraw/zinc/90/84/41/342908441.db2.gz SQBNDTJHSUQITA-OAHLLOKOSA-N 1 3 294.443 1.765 10 30 CDEEHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)CCCCC#N ZINC000594446864 342908946 /nfs/dbraw/zinc/90/89/46/342908946.db2.gz YKUJSVASYSUDKQ-LBPRGKRZSA-N 1 3 268.405 1.102 10 30 CDEEHO CC(C)(C[NH2+]C[C@@H](O)CC1(C#N)CC1)CN1CCCC1 ZINC000600735807 342246244 /nfs/dbraw/zinc/24/62/44/342246244.db2.gz VTCBOFWKMVVIRX-AWEZNQCLSA-N 1 3 279.428 1.753 10 30 CDEEHO CC(C)(CNC[C@@H](O)CC1(C#N)CC1)C[NH+]1CCCC1 ZINC000600735807 342246245 /nfs/dbraw/zinc/24/62/45/342246245.db2.gz VTCBOFWKMVVIRX-AWEZNQCLSA-N 1 3 279.428 1.753 10 30 CDEEHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594425059 342903939 /nfs/dbraw/zinc/90/39/39/342903939.db2.gz JMKUMOHMRKAISE-OLZOCXBDSA-N 1 3 268.405 1.229 10 30 CDEEHO C[NH2+]Cc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594424437 342903941 /nfs/dbraw/zinc/90/39/41/342903941.db2.gz DOLOIFCELJWSAI-AWEZNQCLSA-N 1 3 274.368 1.756 10 30 CDEEHO COC[C@@H](CCC[NH3+])NCC1(C#N)CCCCC1 ZINC000596649558 343370836 /nfs/dbraw/zinc/37/08/36/343370836.db2.gz CDYCNSBJCQAMMB-CYBMUJFWSA-N 1 3 253.390 1.804 10 30 CDEEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)CC#N ZINC000597051983 343442238 /nfs/dbraw/zinc/44/22/38/343442238.db2.gz HSCNXQWZOIYJMI-HUUCEWRRSA-N 1 3 294.443 1.411 10 30 CDEEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)CC#N ZINC000597051983 343442239 /nfs/dbraw/zinc/44/22/39/343442239.db2.gz HSCNXQWZOIYJMI-HUUCEWRRSA-N 1 3 294.443 1.411 10 30 CDEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC1(C#N)CC1 ZINC000597942237 343674347 /nfs/dbraw/zinc/67/43/47/343674347.db2.gz HZLDZWYTMXONGU-ZDUSSCGKSA-N 1 3 280.416 1.068 10 30 CDEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC1(C#N)CC1 ZINC000597942237 343674348 /nfs/dbraw/zinc/67/43/48/343674348.db2.gz HZLDZWYTMXONGU-ZDUSSCGKSA-N 1 3 280.416 1.068 10 30 CDEEHO C[NH+](C)CC1(CNC[C@@H](O)CC2(C#N)CC2)CCCC1 ZINC000600733020 358706520 /nfs/dbraw/zinc/70/65/20/358706520.db2.gz AJCOKICXTPPJRR-AWEZNQCLSA-N 1 3 279.428 1.753 10 30 CDEEHO C=CCN1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000572657409 371267300 /nfs/dbraw/zinc/26/73/00/371267300.db2.gz GXMSTIVWIDCNME-UHFFFAOYSA-N 1 3 287.407 1.568 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000417545930 377934020 /nfs/dbraw/zinc/93/40/20/377934020.db2.gz YQFFYXFWWIHHHH-RYUDHWBXSA-N 1 3 268.405 1.062 10 30 CDEEHO C=CC[C@@]1(C(=O)N2CCC[C@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000662691267 413324687 /nfs/dbraw/zinc/32/46/87/413324687.db2.gz IPTGKPWKVBQEGP-RDJZCZTQSA-N 1 3 291.439 1.772 10 30 CDEEHO CNC(=O)C1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689003 175095283 /nfs/dbraw/zinc/09/52/83/175095283.db2.gz LXPMZUMEXPDBOQ-UHFFFAOYSA-N 1 3 291.420 1.016 10 30 CDEEHO C=CC[C@]1(C(=O)Nc2cccc(CN)c2)CCC[NH2+]1 ZINC000662392825 424030695 /nfs/dbraw/zinc/03/06/95/424030695.db2.gz LPAMIAOQPIAAON-OAHLLOKOSA-N 1 3 259.353 1.782 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001667701758 1173311364 /nfs/dbraw/zinc/31/13/64/1173311364.db2.gz PNIHBZAJFHVYKM-HZPDHXFCSA-N 1 3 293.455 1.826 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001667701758 1173311372 /nfs/dbraw/zinc/31/13/72/1173311372.db2.gz PNIHBZAJFHVYKM-HZPDHXFCSA-N 1 3 293.455 1.826 10 30 CDEEHO C#CC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732210388 1159750854 /nfs/dbraw/zinc/75/08/54/1159750854.db2.gz GLRGBEHCPGOOAH-XJKSGUPXSA-N 1 3 297.418 1.317 10 30 CDEEHO CC#CCNC[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482337222 1160158368 /nfs/dbraw/zinc/15/83/68/1160158368.db2.gz OLWPGUYORJTCEA-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(C#CCN)s1 ZINC000061655675 521834212 /nfs/dbraw/zinc/83/42/12/521834212.db2.gz MGAQIQZEUMTVJF-LBPRGKRZSA-N 1 3 291.420 1.225 10 30 CDEEHO C=C(CN(C)C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000764445372 575907994 /nfs/dbraw/zinc/90/79/94/575907994.db2.gz VHIXTUWBZHDBLP-ZDUSSCGKSA-N 1 3 255.406 1.197 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001688949863 1175077077 /nfs/dbraw/zinc/07/70/77/1175077077.db2.gz MXVXTDPAGPWTFQ-HDJSIYSDSA-N 1 3 290.411 1.711 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001690169276 1175392652 /nfs/dbraw/zinc/39/26/52/1175392652.db2.gz XGWMZQIAVHAHQB-CQSZACIVSA-N 1 3 279.428 1.082 10 30 CDEEHO C#CC[C@H](COC)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000862548365 620736581 /nfs/dbraw/zinc/73/65/81/620736581.db2.gz DKLUUYFRCCPJDB-CQSZACIVSA-N 1 3 252.402 1.877 10 30 CDEEHO C=CC(C)(C)NC[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000904473433 626304638 /nfs/dbraw/zinc/30/46/38/626304638.db2.gz RTJJYCLBDNCSOV-GFCCVEGCSA-N 1 3 250.390 1.400 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000876884214 630581451 /nfs/dbraw/zinc/58/14/51/630581451.db2.gz OHCUNWOMTHTSKS-ZMLRMANQSA-N 1 3 273.808 1.255 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000876884214 630581450 /nfs/dbraw/zinc/58/14/50/630581450.db2.gz OHCUNWOMTHTSKS-ZMLRMANQSA-N 1 3 273.808 1.255 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001691345831 1159028891 /nfs/dbraw/zinc/02/88/91/1159028891.db2.gz KIUUIWZJMOWPQY-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001691345831 1159028898 /nfs/dbraw/zinc/02/88/98/1159028898.db2.gz KIUUIWZJMOWPQY-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001266994412 1159073262 /nfs/dbraw/zinc/07/32/62/1159073262.db2.gz NAEFLASJGXAWDB-CQSZACIVSA-N 1 3 291.439 1.226 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001270066336 1160087346 /nfs/dbraw/zinc/08/73/46/1160087346.db2.gz ISYSMFZOMLWXQB-HNNXBMFYSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001567742836 1168945222 /nfs/dbraw/zinc/94/52/22/1168945222.db2.gz VIYBOQJUCXGNOE-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001567742836 1168945235 /nfs/dbraw/zinc/94/52/35/1168945235.db2.gz VIYBOQJUCXGNOE-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001570040150 1170062532 /nfs/dbraw/zinc/06/25/32/1170062532.db2.gz KREOUMBDYWBGJW-BZUAXINKSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001570634651 1170214829 /nfs/dbraw/zinc/21/48/29/1170214829.db2.gz XGJSCBLQMJTVAQ-STQMWFEESA-N 1 3 267.417 1.080 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCCC)CC1 ZINC001669483195 1173555590 /nfs/dbraw/zinc/55/55/90/1173555590.db2.gz XIHOHONFYATSLT-CQSZACIVSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001671428669 1173682939 /nfs/dbraw/zinc/68/29/39/1173682939.db2.gz HFYPUSMZONVMMM-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CC2CC2)CC1 ZINC001698773589 1175926438 /nfs/dbraw/zinc/92/64/38/1175926438.db2.gz ADMAALWOJSBKOB-CQSZACIVSA-N 1 3 291.439 1.084 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001699011914 1176039792 /nfs/dbraw/zinc/03/97/92/1176039792.db2.gz ARVXFFVFTIPEAY-GJZGRUSLSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001699134032 1176108100 /nfs/dbraw/zinc/10/81/00/1176108100.db2.gz HGXYSGCPSHGASS-CJNGLKHVSA-N 1 3 299.434 1.869 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001700391486 1176897885 /nfs/dbraw/zinc/89/78/85/1176897885.db2.gz ANAIGLCRHUTABA-HUUCEWRRSA-N 1 3 293.455 1.757 10 30 CDEEHO C#CC[NH2+]C[C@H](CCCC)NC(=O)C1(N(C)C)CCC1 ZINC001700519320 1176993602 /nfs/dbraw/zinc/99/36/02/1176993602.db2.gz PZOOZWOOJLIGCT-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001713220422 1178438515 /nfs/dbraw/zinc/43/85/15/1178438515.db2.gz KVUDCCLRXVTUEK-HOTGVXAUSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001713220422 1178438522 /nfs/dbraw/zinc/43/85/22/1178438522.db2.gz KVUDCCLRXVTUEK-HOTGVXAUSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001713223609 1178441475 /nfs/dbraw/zinc/44/14/75/1178441475.db2.gz CJQWGKVKCNNCNF-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001713223609 1178441478 /nfs/dbraw/zinc/44/14/78/1178441478.db2.gz CJQWGKVKCNNCNF-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001713892230 1178823430 /nfs/dbraw/zinc/82/34/30/1178823430.db2.gz SKJPFVHGXMPRGE-OAHLLOKOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001713892230 1178823438 /nfs/dbraw/zinc/82/34/38/1178823438.db2.gz SKJPFVHGXMPRGE-OAHLLOKOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001713910458 1178834617 /nfs/dbraw/zinc/83/46/17/1178834617.db2.gz FCJPDERKZKXTAY-IYBDPMFKSA-N 1 3 293.455 1.970 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713949622 1178880714 /nfs/dbraw/zinc/88/07/14/1178880714.db2.gz XZQBWABBWWOXBO-SHTZXODSSA-N 1 3 291.439 1.511 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001714148894 1178991107 /nfs/dbraw/zinc/99/11/07/1178991107.db2.gz BHOQUEQJDKMANS-HUUCEWRRSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001714148894 1178991111 /nfs/dbraw/zinc/99/11/11/1178991111.db2.gz BHOQUEQJDKMANS-HUUCEWRRSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001714778551 1179393374 /nfs/dbraw/zinc/39/33/74/1179393374.db2.gz VVSHXFHQWQMDBH-LBPRGKRZSA-N 1 3 264.373 1.355 10 30 CDEEHO C=C(C)CN1CC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001715313961 1179619387 /nfs/dbraw/zinc/61/93/87/1179619387.db2.gz BUBZYWPNEZXREP-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(C)CN1CC2(C1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001715313961 1179619389 /nfs/dbraw/zinc/61/93/89/1179619389.db2.gz BUBZYWPNEZXREP-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(C)CC[NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1 ZINC001715883900 1179896271 /nfs/dbraw/zinc/89/62/71/1179896271.db2.gz FCQYXBWRZMDDLD-PLNGDYQASA-N 1 3 293.455 1.947 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716140376 1180068426 /nfs/dbraw/zinc/06/84/26/1180068426.db2.gz TWYAUCBMHSYOFR-GXTWGEPZSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001716628083 1180313860 /nfs/dbraw/zinc/31/38/60/1180313860.db2.gz XUHAGIYPRMWYIB-KBPBESRZSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001717497229 1180710206 /nfs/dbraw/zinc/71/02/06/1180710206.db2.gz AIFZJGHGESXKBG-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001724859799 1181780758 /nfs/dbraw/zinc/78/07/58/1181780758.db2.gz JMQBDPXCEHKDAQ-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001724859799 1181780760 /nfs/dbraw/zinc/78/07/60/1181780760.db2.gz JMQBDPXCEHKDAQ-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO C=CCN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001732025969 1182728030 /nfs/dbraw/zinc/72/80/30/1182728030.db2.gz FSWFUVGCDZFVGL-HZPDHXFCSA-N 1 3 287.407 1.571 10 30 CDEEHO C=CCN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001732025969 1182728037 /nfs/dbraw/zinc/72/80/37/1182728037.db2.gz FSWFUVGCDZFVGL-HZPDHXFCSA-N 1 3 287.407 1.571 10 30 CDEEHO C#CCC[NH2+]C[C@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001732253336 1182886372 /nfs/dbraw/zinc/88/63/72/1182886372.db2.gz JNKSQHSENXJGMF-INIZCTEOSA-N 1 3 288.395 1.158 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001732328316 1182907591 /nfs/dbraw/zinc/90/75/91/1182907591.db2.gz FEVLPMFPZZOGNQ-ZIAGYGMSSA-N 1 3 265.401 1.095 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001732344208 1182917164 /nfs/dbraw/zinc/91/71/64/1182917164.db2.gz ULQLRGNGCWBDIQ-OAHLLOKOSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)CN(C)CCC)C1CCCCC1 ZINC001732478930 1182983412 /nfs/dbraw/zinc/98/34/12/1182983412.db2.gz XBYKLQIIISEHHX-MRXNPFEDSA-N 1 3 293.455 1.616 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001733013259 1183237334 /nfs/dbraw/zinc/23/73/34/1183237334.db2.gz MHLUYCXTBVVUNE-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001733452070 1183435958 /nfs/dbraw/zinc/43/59/58/1183435958.db2.gz MKKSJOCZULFQJZ-HNNXBMFYSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733452070 1183435959 /nfs/dbraw/zinc/43/59/59/1183435959.db2.gz MKKSJOCZULFQJZ-HNNXBMFYSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001733770102 1183526860 /nfs/dbraw/zinc/52/68/60/1183526860.db2.gz GOUMCHOVMUCCLC-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001733770102 1183526870 /nfs/dbraw/zinc/52/68/70/1183526870.db2.gz GOUMCHOVMUCCLC-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO C=CCCC[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001734345780 1183741991 /nfs/dbraw/zinc/74/19/91/1183741991.db2.gz 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C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001484511991 915834700 /nfs/dbraw/zinc/83/47/00/915834700.db2.gz NMEKKJSRJXBKSQ-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001485515955 917053910 /nfs/dbraw/zinc/05/39/10/917053910.db2.gz HCYHDXBMVAEOBL-ZDUSSCGKSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[C@H](O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329795 923740422 /nfs/dbraw/zinc/74/04/22/923740422.db2.gz OYCOFEUHNBORRN-SOUVJXGZSA-N 1 3 252.402 1.778 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001568466503 1169302407 /nfs/dbraw/zinc/30/24/07/1169302407.db2.gz AEQNWMFOTUXJTI-ZIAGYGMSSA-N 1 3 267.417 1.080 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001276712220 940826663 /nfs/dbraw/zinc/82/66/63/940826663.db2.gz RPSAAHFSSMUBSH-QGZVFWFLSA-N 1 3 299.418 1.479 10 30 CDEEHO C=CCC[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001282058178 942651344 /nfs/dbraw/zinc/65/13/44/942651344.db2.gz PABUXPIMRDUVIS-WLYUNCDWSA-N 1 3 279.428 1.389 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](CC)N(C)C ZINC001283552143 942930648 /nfs/dbraw/zinc/93/06/48/942930648.db2.gz BPHFDTPWZGHGBD-ZIAGYGMSSA-N 1 3 267.417 1.339 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C ZINC001284639528 943230657 /nfs/dbraw/zinc/23/06/57/943230657.db2.gz AQFZSCBYWWDHDU-STQMWFEESA-N 1 3 267.417 1.080 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001277736174 943437582 /nfs/dbraw/zinc/43/75/82/943437582.db2.gz XMTWWVNIFBLJPI-HNNXBMFYSA-N 1 3 279.428 1.177 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001277843614 943791126 /nfs/dbraw/zinc/79/11/26/943791126.db2.gz FRLAZZBCIGMRAY-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001265964045 944603112 /nfs/dbraw/zinc/60/31/12/944603112.db2.gz PTGVDYNYYMFFMX-KBPBESRZSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001278301156 945540720 /nfs/dbraw/zinc/54/07/20/945540720.db2.gz LCQFQSHKZCZORC-GXTWGEPZSA-N 1 3 276.384 1.497 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001479295637 971292277 /nfs/dbraw/zinc/29/22/77/971292277.db2.gz RLTXTODIPPKHKT-OWCLPIDISA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001480156508 971605865 /nfs/dbraw/zinc/60/58/65/971605865.db2.gz CNMGSYOJJWRDTO-KKUMJFAQSA-N 1 3 279.428 1.531 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001480267621 971654007 /nfs/dbraw/zinc/65/40/07/971654007.db2.gz PHZXYBTXUVIFDU-MRXNPFEDSA-N 1 3 293.455 1.570 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001480267621 971654010 /nfs/dbraw/zinc/65/40/10/971654010.db2.gz PHZXYBTXUVIFDU-MRXNPFEDSA-N 1 3 293.455 1.570 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001317343817 957432264 /nfs/dbraw/zinc/43/22/64/957432264.db2.gz NJGVSCUJUFTUMB-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO CC#CC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001318956360 958321360 /nfs/dbraw/zinc/32/13/60/958321360.db2.gz LUFJLMIMTYBZGB-SHTZXODSSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001319251370 958456063 /nfs/dbraw/zinc/45/60/63/958456063.db2.gz RSEOXIZRKKEBPX-CABCVRRESA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001322274655 960162649 /nfs/dbraw/zinc/16/26/49/960162649.db2.gz PIDINBLVGDBEJA-AWEZNQCLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCC([NH3+])(CC)CC1 ZINC001522444993 970437931 /nfs/dbraw/zinc/43/79/31/970437931.db2.gz JIEMKHUUSIUUJD-GFCCVEGCSA-N 1 3 253.390 1.400 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001496370963 972901479 /nfs/dbraw/zinc/90/14/79/972901479.db2.gz XEMAPZPNLGMOBR-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001498376267 973868760 /nfs/dbraw/zinc/86/87/60/973868760.db2.gz PNXCWQVTQJKSKN-CHWSQXEVSA-N 1 3 255.406 1.195 10 30 CDEEHO C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001498376267 973868772 /nfs/dbraw/zinc/86/87/72/973868772.db2.gz PNXCWQVTQJKSKN-CHWSQXEVSA-N 1 3 255.406 1.195 10 30 CDEEHO C#CCNC1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001499248397 974222252 /nfs/dbraw/zinc/22/22/52/974222252.db2.gz HBGWTLBMEFPOIV-OAHLLOKOSA-N 1 3 289.423 1.265 10 30 CDEEHO C#CCNC1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001499248397 974222257 /nfs/dbraw/zinc/22/22/57/974222257.db2.gz HBGWTLBMEFPOIV-OAHLLOKOSA-N 1 3 289.423 1.265 10 30 CDEEHO C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001500225552 974406465 /nfs/dbraw/zinc/40/64/65/974406465.db2.gz LYZDUSOIQWVLAW-ZBFHGGJFSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001500225552 974406469 /nfs/dbraw/zinc/40/64/69/974406469.db2.gz LYZDUSOIQWVLAW-ZBFHGGJFSA-N 1 3 299.434 1.823 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001507454359 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C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](F)CN(CC)CC)[C@H]1C ZINC001656957484 1171906408 /nfs/dbraw/zinc/90/64/08/1171906408.db2.gz RDLMKDOYWAPADA-KFWWJZLASA-N 1 3 297.418 1.269 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)CN(CC)CC)[C@H]1C ZINC001656957484 1171906412 /nfs/dbraw/zinc/90/64/12/1171906412.db2.gz RDLMKDOYWAPADA-KFWWJZLASA-N 1 3 297.418 1.269 10 30 CDEEHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594441303 342907486 /nfs/dbraw/zinc/90/74/86/342907486.db2.gz QPNGPHKHUIYCNY-ZIAGYGMSSA-N 1 3 280.416 1.244 10 30 CDEEHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594441303 342907487 /nfs/dbraw/zinc/90/74/87/342907487.db2.gz QPNGPHKHUIYCNY-ZIAGYGMSSA-N 1 3 280.416 1.244 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000594456553 342911581 /nfs/dbraw/zinc/91/15/81/342911581.db2.gz QJAMVKVYFCYYNF-STQMWFEESA-N 1 3 266.389 1.031 10 30 CDEEHO CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000601976117 344305182 /nfs/dbraw/zinc/30/51/82/344305182.db2.gz 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/nfs/dbraw/zinc/21/29/25/1172212925.db2.gz YOOILKHDRQBPQP-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000080565226 359625622 /nfs/dbraw/zinc/62/56/22/359625622.db2.gz IRYPDUZDORCYQZ-CQSZACIVSA-N 1 3 282.432 1.230 10 30 CDEEHO C=CCNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000080565226 359625625 /nfs/dbraw/zinc/62/56/25/359625625.db2.gz IRYPDUZDORCYQZ-CQSZACIVSA-N 1 3 282.432 1.230 10 30 CDEEHO CN(CCC[NH+](C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000527461112 391019997 /nfs/dbraw/zinc/01/99/97/391019997.db2.gz JZYSSKWTNOMSMU-INIZCTEOSA-N 1 3 298.390 1.651 10 30 CDEEHO C=CC[C@@]1(C(=O)NC2CCN(CC)CC2)CCC[NH2+]1 ZINC000662666407 413277551 /nfs/dbraw/zinc/27/75/51/413277551.db2.gz RWDRQSWNTWYFIL-HNNXBMFYSA-N 1 3 265.401 1.285 10 30 CDEEHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1sccc1C#CCN ZINC000043684119 175093205 /nfs/dbraw/zinc/09/32/05/175093205.db2.gz XYCDUAUTKOWBNX-YPMHNXCESA-N 1 3 291.420 1.144 10 30 CDEEHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1sccc1C#CCN 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CC(C)CN1CCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000130840474 264369962 /nfs/dbraw/zinc/36/99/62/264369962.db2.gz MJSZWJCMUVGUBD-CYBMUJFWSA-N 1 3 254.422 1.586 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1C[C@@H](C)O[C@H](C)C1 ZINC000262240347 330002470 /nfs/dbraw/zinc/00/24/70/330002470.db2.gz XXSNFDMLNJEDTP-UMVBOHGHSA-N 1 3 296.459 1.579 10 30 CDEEHO C=CC[C@H](CO)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423030638 330166140 /nfs/dbraw/zinc/16/61/40/330166140.db2.gz CBRVLOQOEATTMO-FRFSOERESA-N 1 3 288.391 1.769 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCN1CCC)C(C)C ZINC001271844152 1160365925 /nfs/dbraw/zinc/36/59/25/1160365925.db2.gz FBRPQUFACGVWDV-HZPDHXFCSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCN1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001714114908 1178977577 /nfs/dbraw/zinc/97/75/77/1178977577.db2.gz KAQZEOQVHONHIU-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001714114908 1178977583 /nfs/dbraw/zinc/97/75/83/1178977583.db2.gz KAQZEOQVHONHIU-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001716479117 1180243462 /nfs/dbraw/zinc/24/34/62/1180243462.db2.gz ZCUBTXXURPNHAH-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001716479117 1180243470 /nfs/dbraw/zinc/24/34/70/1180243470.db2.gz ZCUBTXXURPNHAH-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001717373722 1180635219 /nfs/dbraw/zinc/63/52/19/1180635219.db2.gz ORDKYEQISYECPQ-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001717373722 1180635223 /nfs/dbraw/zinc/63/52/23/1180635223.db2.gz ORDKYEQISYECPQ-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO NCC#Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000049609775 527151879 /nfs/dbraw/zinc/15/18/79/527151879.db2.gz PVBUSBOUNDGQQH-MRXNPFEDSA-N 1 3 288.391 1.222 10 30 CDEEHO NCC#Cc1ccc(OCC[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000049609775 527151884 /nfs/dbraw/zinc/15/18/84/527151884.db2.gz PVBUSBOUNDGQQH-MRXNPFEDSA-N 1 3 288.391 1.222 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690188648 1175400167 /nfs/dbraw/zinc/40/01/67/1175400167.db2.gz LIXDNPGABPWFFX-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690188648 1175400174 /nfs/dbraw/zinc/40/01/74/1175400174.db2.gz LIXDNPGABPWFFX-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C#C[C@](C)(CC)NCC(=O)NC[C@@H](C)[NH2+][C@](C)(C#C)CC ZINC000930601776 617464506 /nfs/dbraw/zinc/46/45/06/617464506.db2.gz WNUBXDOTBANTAA-DJIMGWMZSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CC[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001698767333 1159034181 /nfs/dbraw/zinc/03/41/81/1159034181.db2.gz FJCTVBQDRFBFPE-ZDUSSCGKSA-N 1 3 269.433 1.492 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000876717511 1165899342 /nfs/dbraw/zinc/89/93/42/1165899342.db2.gz CKQYKGXCRIXWRN-NEPJUHHUSA-N 1 3 273.808 1.399 10 30 CDEEHO C=CCN(C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001567309364 1168670801 /nfs/dbraw/zinc/67/08/01/1168670801.db2.gz YOWXPPLSLAQXDN-UHFFFAOYSA-N 1 3 275.396 1.596 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001656169754 1171781733 /nfs/dbraw/zinc/78/17/33/1171781733.db2.gz CLDFYWIAVGZMSF-BETUJISGSA-N 1 3 276.384 1.321 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001662426326 1172547959 /nfs/dbraw/zinc/54/79/59/1172547959.db2.gz XBEYJDWYSUPIBJ-OAHLLOKOSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001663415902 1172693032 /nfs/dbraw/zinc/69/30/32/1172693032.db2.gz VEJJZKZFVGGQSE-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001663415902 1172693035 /nfs/dbraw/zinc/69/30/35/1172693035.db2.gz VEJJZKZFVGGQSE-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001692380438 1175756229 /nfs/dbraw/zinc/75/62/29/1175756229.db2.gz TWEALNHJCHHMRJ-JYJNAYRXSA-N 1 3 291.439 1.580 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001692380438 1175756230 /nfs/dbraw/zinc/75/62/30/1175756230.db2.gz TWEALNHJCHHMRJ-JYJNAYRXSA-N 1 3 291.439 1.580 10 30 CDEEHO C#CCNC1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001699662229 1176556429 /nfs/dbraw/zinc/55/64/29/1176556429.db2.gz KOBDINQFICKSHO-UHFFFAOYSA-N 1 3 299.418 1.276 10 30 CDEEHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001701007924 1177237517 /nfs/dbraw/zinc/23/75/17/1177237517.db2.gz RDCMZPXSMSLZMG-GDBMZVCRSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001713512843 1178617777 /nfs/dbraw/zinc/61/77/77/1178617777.db2.gz UBVDEDAHCSSGQS-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[NH+]1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001713785041 1178752407 /nfs/dbraw/zinc/75/24/07/1178752407.db2.gz FGOSMFHXCQWCAC-UHFFFAOYSA-N 1 3 267.417 1.435 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001715362351 1179642574 /nfs/dbraw/zinc/64/25/74/1179642574.db2.gz LLLXGTWNNKCJCG-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCCN1CC ZINC001715916322 1179912044 /nfs/dbraw/zinc/91/20/44/1179912044.db2.gz WHJPQMMUDLLXRK-MVGZEHJDSA-N 1 3 277.412 1.146 10 30 CDEEHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001717601531 1180754753 /nfs/dbraw/zinc/75/47/53/1180754753.db2.gz XHUFJIJYFROJGU-FPCVCCKLSA-N 1 3 291.439 1.198 10 30 CDEEHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001717601531 1180754759 /nfs/dbraw/zinc/75/47/59/1180754759.db2.gz XHUFJIJYFROJGU-FPCVCCKLSA-N 1 3 291.439 1.198 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001717652183 1180776133 /nfs/dbraw/zinc/77/61/33/1180776133.db2.gz HHNBKVCQLIRNQB-LDKKBFSKSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001717804534 1180864325 /nfs/dbraw/zinc/86/43/25/1180864325.db2.gz FXJOHSUTENWIQI-ZIAGYGMSSA-N 1 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/nfs/dbraw/zinc/99/79/50/1181997950.db2.gz VNWQQPRGYRAVSC-UHFFFAOYSA-N 1 3 293.455 1.971 10 30 CDEEHO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CCC)CC1 ZINC001731386612 1182349625 /nfs/dbraw/zinc/34/96/25/1182349625.db2.gz VYRDMHFPHCFGAQ-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732907586 1183179899 /nfs/dbraw/zinc/17/98/99/1183179899.db2.gz BLWWHNIKKVGWCE-LFAOLKIESA-N 1 3 277.412 1.146 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001733083652 1183282404 /nfs/dbraw/zinc/28/24/04/1183282404.db2.gz NLIKLRFHBKQTLX-JKSUJKDBSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)CCN1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001733221513 1183349745 /nfs/dbraw/zinc/34/97/45/1183349745.db2.gz CZMJXRQQVLQGQZ-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001734474519 1183793321 /nfs/dbraw/zinc/79/33/21/1183793321.db2.gz HSFDGOZVYWUFBZ-CABCVRRESA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000876708507 1165897007 /nfs/dbraw/zinc/89/70/07/1165897007.db2.gz SDBQSZNLLLLHJD-KBPBESRZSA-N 1 3 295.814 1.875 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001567324504 1168679389 /nfs/dbraw/zinc/67/93/89/1168679389.db2.gz QPGGJIMJOQAXHC-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCN1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001266533591 895256385 /nfs/dbraw/zinc/25/63/85/895256385.db2.gz MTGXIRYONLXTQP-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCN(C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267211509 897161720 /nfs/dbraw/zinc/16/17/20/897161720.db2.gz WDULWLGESWHJTC-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001267217061 897180847 /nfs/dbraw/zinc/18/08/47/897180847.db2.gz WWFBLSRGHYGNCP-HOCLYGCPSA-N 1 3 295.471 1.975 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267580412 898515318 /nfs/dbraw/zinc/51/53/18/898515318.db2.gz WMORZCVUJWAMFP-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267580412 898515327 /nfs/dbraw/zinc/51/53/27/898515327.db2.gz WMORZCVUJWAMFP-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268252811 901671451 /nfs/dbraw/zinc/67/14/51/901671451.db2.gz GQEVBJDLMGOHIF-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001268252811 901671454 /nfs/dbraw/zinc/67/14/54/901671454.db2.gz GQEVBJDLMGOHIF-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001268471857 902249220 /nfs/dbraw/zinc/24/92/20/902249220.db2.gz UKBNOYSAGADTKW-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)CN(C)CCC)C(C)(C)C ZINC001284642562 904134456 /nfs/dbraw/zinc/13/44/56/904134456.db2.gz GIFOKNQPFHNTGM-ZDUSSCGKSA-N 1 3 267.417 1.082 10 30 CDEEHO C=C(C)CN1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001270650592 904884266 /nfs/dbraw/zinc/88/42/66/904884266.db2.gz WUJYCUHOAMEZQB-HOCLYGCPSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)CN1CC[C@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001270650592 904884282 /nfs/dbraw/zinc/88/42/82/904884282.db2.gz WUJYCUHOAMEZQB-HOCLYGCPSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001482392896 905290368 /nfs/dbraw/zinc/29/03/68/905290368.db2.gz JXPGFXFBKVGMAB-JKSUJKDBSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001482628315 908077551 /nfs/dbraw/zinc/07/75/51/908077551.db2.gz NARFLLXKMBRAFH-CQSZACIVSA-N 1 3 267.417 1.295 10 30 CDEEHO C=CCC[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001482628315 908077560 /nfs/dbraw/zinc/07/75/60/908077560.db2.gz NARFLLXKMBRAFH-CQSZACIVSA-N 1 3 267.417 1.295 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899488 908466923 /nfs/dbraw/zinc/46/69/23/908466923.db2.gz QICORTMCZZKVDI-NEPJUHHUSA-N 1 3 273.808 1.175 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482899488 908466928 /nfs/dbraw/zinc/46/69/28/908466928.db2.gz QICORTMCZZKVDI-NEPJUHHUSA-N 1 3 273.808 1.175 10 30 CDEEHO C=CCC[NH2+][C@@H](CC)CNC(=O)CN1CC[C@H](C)C1 ZINC001567977498 1169104199 /nfs/dbraw/zinc/10/41/99/1169104199.db2.gz YIXYNAAPXSDGOE-KBPBESRZSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001483198041 909958386 /nfs/dbraw/zinc/95/83/86/909958386.db2.gz VKLKMXXNAPUHOL-OLZOCXBDSA-N 1 3 253.390 1.141 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001491171562 936868787 /nfs/dbraw/zinc/86/87/87/936868787.db2.gz ZIZZGWQFKOEGIT-JKSUJKDBSA-N 1 3 293.455 1.424 10 30 CDEEHO CC#CCN1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001490599247 927249299 /nfs/dbraw/zinc/24/92/99/927249299.db2.gz QHHGFTMFHJVSCC-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000852898527 927912012 /nfs/dbraw/zinc/91/20/12/927912012.db2.gz RXQZTEYLNZGVNU-CVEARBPZSA-N 1 3 289.423 1.123 10 30 CDEEHO C#CCC1(O)CC[NH+](CCCN2CCCCC2)CC1 ZINC000880481544 929688149 /nfs/dbraw/zinc/68/81/49/929688149.db2.gz WCYXCYSFTJVBBI-UHFFFAOYSA-N 1 3 264.413 1.713 10 30 CDEEHO C=CC[NH2+]C1(C)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001274393878 931496613 /nfs/dbraw/zinc/49/66/13/931496613.db2.gz SNZXAOPAHQDTRY-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001322194320 931679980 /nfs/dbraw/zinc/67/99/80/931679980.db2.gz RBIQUUONOHBXNV-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001322194320 931679982 /nfs/dbraw/zinc/67/99/82/931679982.db2.gz RBIQUUONOHBXNV-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCOCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925633435 932919000 /nfs/dbraw/zinc/91/90/00/932919000.db2.gz WJCMGCOCVXLJFD-HUUCEWRRSA-N 1 3 252.402 1.947 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC)CC1 ZINC001037120393 934869499 /nfs/dbraw/zinc/86/94/99/934869499.db2.gz ILXSBXAKOSOOBU-JKSUJKDBSA-N 1 3 291.439 1.226 10 30 CDEEHO CC#CC[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001568678586 1169427099 /nfs/dbraw/zinc/42/70/99/1169427099.db2.gz VJLQSCPKFJHGEU-AWEZNQCLSA-N 1 3 281.444 1.472 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001277225556 942197239 /nfs/dbraw/zinc/19/72/39/942197239.db2.gz WAKWNZVKLRWOIG-LSDHHAIUSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001281404530 942571790 /nfs/dbraw/zinc/57/17/90/942571790.db2.gz BIESVOZQPGVBHO-GOEBONIOSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCC1 ZINC001277678549 943319389 /nfs/dbraw/zinc/31/93/89/943319389.db2.gz VZKUPPDVUQXAIR-HNNXBMFYSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001265378159 944365655 /nfs/dbraw/zinc/36/56/55/944365655.db2.gz HTRIZYNDEPJVNY-KGLIPLIRSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001265390494 944371001 /nfs/dbraw/zinc/37/10/01/944371001.db2.gz GPKKIEQMXYSNGW-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001265390494 944371007 /nfs/dbraw/zinc/37/10/07/944371007.db2.gz GPKKIEQMXYSNGW-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001265390495 944371634 /nfs/dbraw/zinc/37/16/34/944371634.db2.gz GPKKIEQMXYSNGW-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001265390495 944371643 /nfs/dbraw/zinc/37/16/43/944371643.db2.gz GPKKIEQMXYSNGW-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001265596987 944442745 /nfs/dbraw/zinc/44/27/45/944442745.db2.gz OAFZZMXJSOVWOU-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001265596987 944442749 /nfs/dbraw/zinc/44/27/49/944442749.db2.gz OAFZZMXJSOVWOU-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001265655993 944458572 /nfs/dbraw/zinc/45/85/72/944458572.db2.gz UDKJUMMIKFIKTQ-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001265655993 944458575 /nfs/dbraw/zinc/45/85/75/944458575.db2.gz UDKJUMMIKFIKTQ-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001479401224 971319544 /nfs/dbraw/zinc/31/95/44/971319544.db2.gz YTOFKRQUTJGRPC-SHTZXODSSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001480020314 971540404 /nfs/dbraw/zinc/54/04/04/971540404.db2.gz RICKBTZTLCKAMM-CABCVRRESA-N 1 3 279.428 1.530 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001480090340 971572575 /nfs/dbraw/zinc/57/25/75/971572575.db2.gz YVTJFCGOCHBLIN-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001480090340 971572580 /nfs/dbraw/zinc/57/25/80/971572580.db2.gz YVTJFCGOCHBLIN-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001329575481 955995688 /nfs/dbraw/zinc/99/56/88/955995688.db2.gz TYIHLOIFQKQHHU-CYBMUJFWSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001330598419 956505355 /nfs/dbraw/zinc/50/53/55/956505355.db2.gz CNIIEBTVHUQDJY-RBSFLKMASA-N 1 3 279.428 1.530 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001317206058 957341113 /nfs/dbraw/zinc/34/11/13/957341113.db2.gz RANQLDRWCNGLAO-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001317206058 957341122 /nfs/dbraw/zinc/34/11/22/957341122.db2.gz RANQLDRWCNGLAO-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001331929401 957343706 /nfs/dbraw/zinc/34/37/06/957343706.db2.gz QYEFVGMIQCKVRI-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317342775 957430751 /nfs/dbraw/zinc/43/07/51/957430751.db2.gz IICIICXFIAURRF-LSDHHAIUSA-N 1 3 279.428 1.034 10 30 CDEEHO CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001317678532 957636788 /nfs/dbraw/zinc/63/67/88/957636788.db2.gz FOZIJZYHAXYJFJ-HOCLYGCPSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001320058256 958907084 /nfs/dbraw/zinc/90/70/84/958907084.db2.gz JZMILBOQJLXSNV-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001320058256 958907093 /nfs/dbraw/zinc/90/70/93/958907093.db2.gz JZMILBOQJLXSNV-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001321334526 959728837 /nfs/dbraw/zinc/72/88/37/959728837.db2.gz AWJBHBONZQWOEI-ZWOPJXCPSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001321533235 959839578 /nfs/dbraw/zinc/83/95/78/959839578.db2.gz SWAIZMIBIICTLP-ZIAGYGMSSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001322306146 960176578 /nfs/dbraw/zinc/17/65/78/960176578.db2.gz IHXVMIIFWVCKLY-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001322306146 960176584 /nfs/dbraw/zinc/17/65/84/960176584.db2.gz IHXVMIIFWVCKLY-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(CC)C1CC[NH2+]CC1 ZINC001342851685 963841261 /nfs/dbraw/zinc/84/12/61/963841261.db2.gz GLKKAGTWNFNMQW-NSHDSACASA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001347814383 965710701 /nfs/dbraw/zinc/71/07/01/965710701.db2.gz VAIVPKKZGTXWLQ-HNNXBMFYSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001357611521 969628982 /nfs/dbraw/zinc/62/89/82/969628982.db2.gz JJMJGABIHMFBCK-KKUMJFAQSA-N 1 3 279.428 1.661 10 30 CDEEHO C#CCNC1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001499248395 974222134 /nfs/dbraw/zinc/22/21/34/974222134.db2.gz HBGWTLBMEFPOIV-HNNXBMFYSA-N 1 3 289.423 1.265 10 30 CDEEHO C#CCNC1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001499248395 974222141 /nfs/dbraw/zinc/22/21/41/974222141.db2.gz HBGWTLBMEFPOIV-HNNXBMFYSA-N 1 3 289.423 1.265 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001499858413 974315159 /nfs/dbraw/zinc/31/51/59/974315159.db2.gz VVSTYDABEUAHNQ-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCN1C ZINC001377008759 974850518 /nfs/dbraw/zinc/85/05/18/974850518.db2.gz CUFIFKKWISDADE-NEPJUHHUSA-N 1 3 273.808 1.318 10 30 CDEEHO C#CC[N@@H+](CC)CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001505400175 974859598 /nfs/dbraw/zinc/85/95/98/974859598.db2.gz FSCOISQIGGGUBE-UHFFFAOYSA-N 1 3 293.455 1.522 10 30 CDEEHO C#CC[N@H+](CC)CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001505400175 974859600 /nfs/dbraw/zinc/85/96/00/974859600.db2.gz FSCOISQIGGGUBE-UHFFFAOYSA-N 1 3 293.455 1.522 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001505450003 974883890 /nfs/dbraw/zinc/88/38/90/974883890.db2.gz SXXJIKDOHKAIID-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001505450003 974883892 /nfs/dbraw/zinc/88/38/92/974883892.db2.gz SXXJIKDOHKAIID-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)N(C)C)C1 ZINC001506652626 975197645 /nfs/dbraw/zinc/19/76/45/975197645.db2.gz GIJFHHHKFMQLSJ-HIFRSBDPSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001507419672 975461715 /nfs/dbraw/zinc/46/17/15/975461715.db2.gz WPEDSBCKWZBRPK-ZIAGYGMSSA-N 1 3 288.395 1.158 10 30 CDEEHO C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](CC)N(C)C)C1 ZINC001508142396 975622528 /nfs/dbraw/zinc/62/25/28/975622528.db2.gz XCTCGDPGPUHUIH-JXQTWKCFSA-N 1 3 267.417 1.482 10 30 CDEEHO C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2CC)C1 ZINC001508153984 975623104 /nfs/dbraw/zinc/62/31/04/975623104.db2.gz DCHWKWTVNFUBPZ-GPANFISMSA-N 1 3 291.439 1.463 10 30 CDEEHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001402776528 976478583 /nfs/dbraw/zinc/47/85/83/976478583.db2.gz XVIOPKPGKPYKOB-CYBMUJFWSA-N 1 3 299.846 1.804 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001569819765 1170005965 /nfs/dbraw/zinc/00/59/65/1170005965.db2.gz CWQUTDOYSQBOHS-OLZOCXBDSA-N 1 3 276.384 1.355 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001393905377 977953528 /nfs/dbraw/zinc/95/35/28/977953528.db2.gz LLPRUKSNSVETDJ-OTTFEQOBSA-N 1 3 285.819 1.175 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001393905377 977953535 /nfs/dbraw/zinc/95/35/35/977953535.db2.gz LLPRUKSNSVETDJ-OTTFEQOBSA-N 1 3 285.819 1.175 10 30 CDEEHO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001676754598 1174266848 /nfs/dbraw/zinc/26/68/48/1174266848.db2.gz GHNHGQNRAAMYEH-KBPBESRZSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001570747643 1170266784 /nfs/dbraw/zinc/26/67/84/1170266784.db2.gz KFIALMNJLAFDQM-QWHCGFSZSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001570747643 1170266791 /nfs/dbraw/zinc/26/67/91/1170266791.db2.gz KFIALMNJLAFDQM-QWHCGFSZSA-N 1 3 255.406 1.339 10 30 CDEEHO C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001656452173 1171827334 /nfs/dbraw/zinc/82/73/34/1171827334.db2.gz DMGWKAQVQVNNEG-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000594438733 342906379 /nfs/dbraw/zinc/90/63/79/342906379.db2.gz KUJGYVHNQBQMRN-LSDHHAIUSA-N 1 3 292.427 1.388 10 30 CDEEHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H](N)CCCCC#N ZINC000594440058 342907123 /nfs/dbraw/zinc/90/71/23/342907123.db2.gz YWXMLKQMEHWNOG-CABCVRRESA-N 1 3 294.443 1.730 10 30 CDEEHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H](N)CCCCC#N ZINC000594440058 342907124 /nfs/dbraw/zinc/90/71/24/342907124.db2.gz YWXMLKQMEHWNOG-CABCVRRESA-N 1 3 294.443 1.730 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000594443236 342907996 /nfs/dbraw/zinc/90/79/96/342907996.db2.gz BDBHPZAMWSTJLE-CHWSQXEVSA-N 1 3 266.389 1.128 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000594443626 342908200 /nfs/dbraw/zinc/90/82/00/342908200.db2.gz GDUXMGOHELVYGD-HUUCEWRRSA-N 1 3 292.427 1.246 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000600714576 342242274 /nfs/dbraw/zinc/24/22/74/342242274.db2.gz AIRDQVFQNQHUCJ-MELADBBJSA-N 1 3 263.385 1.258 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000600714576 342242275 /nfs/dbraw/zinc/24/22/75/342242275.db2.gz AIRDQVFQNQHUCJ-MELADBBJSA-N 1 3 263.385 1.258 10 30 CDEEHO C=CCN(CC=C)[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)C(C)C ZINC000638068071 367969871 /nfs/dbraw/zinc/96/98/71/367969871.db2.gz GISVPSZMGYVICB-HZPDHXFCSA-N 1 3 291.439 1.849 10 30 CDEEHO C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661555063 1172405395 /nfs/dbraw/zinc/40/53/95/1172405395.db2.gz IMDNHXSGSZBPNA-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001661817820 1172450878 /nfs/dbraw/zinc/45/08/78/1172450878.db2.gz CBAJEPFEJHVMBU-JKSUJKDBSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001662350854 1172534461 /nfs/dbraw/zinc/53/44/61/1172534461.db2.gz NYDGPPRGGSKXDX-ZIAGYGMSSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@@H](N)c2ccccc2)CCC[NH2+]1 ZINC000662412435 412979959 /nfs/dbraw/zinc/97/99/59/412979959.db2.gz FMSXOJXSZIHIQE-GDBMZVCRSA-N 1 3 273.380 1.501 10 30 CDEEHO C=CC[C@]1(C(=O)NCCN(C)CCCC)CCC[NH2+]1 ZINC000662701812 413348093 /nfs/dbraw/zinc/34/80/93/413348093.db2.gz SLLNQALCZWDPMP-OAHLLOKOSA-N 1 3 267.417 1.533 10 30 CDEEHO C=CC[C@@]1(C(=O)Nc2ccn(CCN(C)C)n2)CCC[NH2+]1 ZINC000662704904 424347631 /nfs/dbraw/zinc/34/76/31/424347631.db2.gz LQXXJOLJIOBOIL-HNNXBMFYSA-N 1 3 291.399 1.082 10 30 CDEEHO C=CC[C@@]1(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCC[NH2+]1 ZINC000662855264 424528695 /nfs/dbraw/zinc/52/86/95/424528695.db2.gz WCKAWTUAKUYEIC-CJNGLKHVSA-N 1 3 279.428 1.674 10 30 CDEEHO CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001668326707 1173397548 /nfs/dbraw/zinc/39/75/48/1173397548.db2.gz UQNWBRIFLCBWTH-LSDHHAIUSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267032709 1159094299 /nfs/dbraw/zinc/09/42/99/1159094299.db2.gz LGTICAIGIPUOMZ-LSDHHAIUSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001698858960 1175966568 /nfs/dbraw/zinc/96/65/68/1175966568.db2.gz XGKSXXGLVJZSTP-KBPBESRZSA-N 1 3 267.417 1.032 10 30 CDEEHO C=CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001700753495 1177115732 /nfs/dbraw/zinc/11/57/32/1177115732.db2.gz WIQQLBPXINCETD-LBPRGKRZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001483603508 1160954608 /nfs/dbraw/zinc/95/46/08/1160954608.db2.gz ZIIQCVSPEHVHHO-OAHLLOKOSA-N 1 3 290.411 1.711 10 30 CDEEHO CC(C)C[N@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049608988 519708885 /nfs/dbraw/zinc/70/88/85/519708885.db2.gz GHLZGIVIMWFIAP-UHFFFAOYSA-N 1 3 260.381 1.963 10 30 CDEEHO CC(C)C[N@@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049608988 519708887 /nfs/dbraw/zinc/70/88/87/519708887.db2.gz GHLZGIVIMWFIAP-UHFFFAOYSA-N 1 3 260.381 1.963 10 30 CDEEHO CCC[N@H+](CCO)Cc1ccc(F)c(C#CCN)c1 ZINC000049609664 521667447 /nfs/dbraw/zinc/66/74/47/521667447.db2.gz ZBSOAHMXWPCIDN-UHFFFAOYSA-N 1 3 264.344 1.340 10 30 CDEEHO CCC[N@@H+](CCO)Cc1ccc(F)c(C#CCN)c1 ZINC000049609664 521667450 /nfs/dbraw/zinc/66/74/50/521667450.db2.gz ZBSOAHMXWPCIDN-UHFFFAOYSA-N 1 3 264.344 1.340 10 30 CDEEHO CCN1CCN(Cc2ccc(F)c(C#CC[NH3+])c2)CC1 ZINC000049608716 521687773 /nfs/dbraw/zinc/68/77/73/521687773.db2.gz CAVMJZYLIQBWOV-UHFFFAOYSA-N 1 3 275.371 1.273 10 30 CDEEHO COC[C@@H](C)[N@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049609569 522215145 /nfs/dbraw/zinc/21/51/45/522215145.db2.gz CLNQJILKAAAKDB-CQSZACIVSA-N 1 3 276.380 1.342 10 30 CDEEHO COC[C@@H](C)[N@@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049609569 522215154 /nfs/dbraw/zinc/21/51/54/522215154.db2.gz CLNQJILKAAAKDB-CQSZACIVSA-N 1 3 276.380 1.342 10 30 CDEEHO CN[C@H](C#N)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062439512 522435540 /nfs/dbraw/zinc/43/55/40/522435540.db2.gz ANBJKIPVBFYCKJ-HNNXBMFYSA-N 1 3 264.417 1.296 10 30 CDEEHO N#Cc1ccc(CCN[C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925714885 617827073 /nfs/dbraw/zinc/82/70/73/617827073.db2.gz YHVWKUNKHOAOTM-GJZGRUSLSA-N 1 3 255.365 1.960 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001670507713 1158624269 /nfs/dbraw/zinc/62/42/69/1158624269.db2.gz SCCNQGYMGJOTKT-OAHLLOKOSA-N 1 3 293.455 1.921 10 30 CDEEHO CC#CCNC1(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001670903702 1161347533 /nfs/dbraw/zinc/34/75/33/1161347533.db2.gz PLVQMNZWCWCAST-UHFFFAOYSA-N 1 3 299.418 1.624 10 30 CDEEHO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@H](N)CCCC#N ZINC000867988097 1164894251 /nfs/dbraw/zinc/89/42/51/1164894251.db2.gz UDGACUQJJIDBEG-TZMCWYRMSA-N 1 3 286.379 1.833 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973486 1165244948 /nfs/dbraw/zinc/24/49/48/1165244948.db2.gz XUQIZPRZSTZTHI-XJFOESAGSA-N 1 3 278.400 1.044 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000876726310 1165900709 /nfs/dbraw/zinc/90/07/09/1165900709.db2.gz CZZLIDRLUHXPSX-PWSUYJOCSA-N 1 3 291.848 1.010 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000876883591 1165932512 /nfs/dbraw/zinc/93/25/12/1165932512.db2.gz KMLCAGPETVAWLJ-HZSPNIEDSA-N 1 3 299.846 1.930 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000876883591 1165932520 /nfs/dbraw/zinc/93/25/20/1165932520.db2.gz KMLCAGPETVAWLJ-HZSPNIEDSA-N 1 3 299.846 1.930 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000876946666 1165946115 /nfs/dbraw/zinc/94/61/15/1165946115.db2.gz NZGAMSOTVKJLGA-LOWVWBTDSA-N 1 3 271.792 1.044 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000876956986 1165949084 /nfs/dbraw/zinc/94/90/84/1165949084.db2.gz PWIJKLJODXKTRO-UONOGXRCSA-N 1 3 299.846 1.695 10 30 CDEEHO CC#CCN(C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001566497928 1168311627 /nfs/dbraw/zinc/31/16/27/1168311627.db2.gz MMYPAKRULXEHQY-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001571126466 1170339497 /nfs/dbraw/zinc/33/94/97/1170339497.db2.gz XHQLLZQFHOZIGR-JOCQHMNTSA-N 1 3 265.401 1.141 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001662641588 1172574051 /nfs/dbraw/zinc/57/40/51/1172574051.db2.gz SNIQBEMWMBDYQU-CYBMUJFWSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001662797238 1172596203 /nfs/dbraw/zinc/59/62/03/1172596203.db2.gz PDUZAHXOCLUJBI-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001662797237 1172596232 /nfs/dbraw/zinc/59/62/32/1172596232.db2.gz 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C=CCC[N@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001275927933 932145841 /nfs/dbraw/zinc/14/58/41/932145841.db2.gz BLIKILBJIJPBCD-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CCC=C)CC1 ZINC001568713736 1169442380 /nfs/dbraw/zinc/44/23/80/1169442380.db2.gz JAICOPSGOFKKFS-HNNXBMFYSA-N 1 3 291.439 1.392 10 30 CDEEHO C#CCN1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001280777643 942484649 /nfs/dbraw/zinc/48/46/49/942484649.db2.gz UJCYYSJPIHINRH-MRXNPFEDSA-N 1 3 291.439 1.466 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001480158274 971606684 /nfs/dbraw/zinc/60/66/84/971606684.db2.gz WZHPPQIXQZRPSK-QKPAOTATSA-N 1 3 293.455 1.920 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001325525326 953946056 /nfs/dbraw/zinc/94/60/56/953946056.db2.gz IKTJZPLQKNZQRE-CABCVRRESA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001327224776 954782104 /nfs/dbraw/zinc/78/21/04/954782104.db2.gz GKFOVQYCPUWCGD-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001327224776 954782114 /nfs/dbraw/zinc/78/21/14/954782114.db2.gz GKFOVQYCPUWCGD-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001492128657 955641169 /nfs/dbraw/zinc/64/11/69/955641169.db2.gz AEJZBEWXZHKQBQ-ZIAGYGMSSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001316850217 956284816 /nfs/dbraw/zinc/28/48/16/956284816.db2.gz AYHPBNWZDKXMAJ-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)CC[N@H+](C)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001316850217 956284829 /nfs/dbraw/zinc/28/48/29/956284829.db2.gz AYHPBNWZDKXMAJ-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001317023810 957209343 /nfs/dbraw/zinc/20/93/43/957209343.db2.gz FQTIVEMKZWTXQL-HOTGVXAUSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001317305859 957415259 /nfs/dbraw/zinc/41/52/59/957415259.db2.gz QMSJQVMBSMRHNM-LBPRGKRZSA-N 1 3 262.357 1.109 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001320008765 958860318 /nfs/dbraw/zinc/86/03/18/958860318.db2.gz LOQRQDOIWVHLMA-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)CC[N@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001320008765 958860332 /nfs/dbraw/zinc/86/03/32/958860332.db2.gz LOQRQDOIWVHLMA-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCC[NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1 ZINC001321304172 959707725 /nfs/dbraw/zinc/70/77/25/959707725.db2.gz MUIWZZWZFOTQPB-WAYWQWQTSA-N 1 3 277.412 1.004 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001321418246 959774679 /nfs/dbraw/zinc/77/46/79/959774679.db2.gz YDDBBJAMQHEWID-SRLDXXQCSA-N 1 3 277.412 1.145 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001321418246 959774684 /nfs/dbraw/zinc/77/46/84/959774684.db2.gz YDDBBJAMQHEWID-SRLDXXQCSA-N 1 3 277.412 1.145 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001496357630 972899101 /nfs/dbraw/zinc/89/91/01/972899101.db2.gz MDFIQJRUHLKUIF-JSGCOSHPSA-N 1 3 276.384 1.355 10 30 CDEEHO C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001496496752 972939957 /nfs/dbraw/zinc/93/99/57/972939957.db2.gz YCJRBTKAUCQGMJ-INIZCTEOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001496496752 972939967 /nfs/dbraw/zinc/93/99/67/972939967.db2.gz YCJRBTKAUCQGMJ-INIZCTEOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001496626253 972998760 /nfs/dbraw/zinc/99/87/60/972998760.db2.gz BTIWJHRILLNLFV-CQSZACIVSA-N 1 3 276.384 1.014 10 30 CDEEHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001500378069 974429477 /nfs/dbraw/zinc/42/94/77/974429477.db2.gz HPXNNSWFXQETAH-NVXWUHKLSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001501638154 974615414 /nfs/dbraw/zinc/61/54/14/974615414.db2.gz SVEWUFLCZREMGF-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376337992 974634167 /nfs/dbraw/zinc/63/41/67/974634167.db2.gz CSFNXDXNHIZXTF-ZIAGYGMSSA-N 1 3 299.846 1.661 10 30 CDEEHO C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001502513630 974746224 /nfs/dbraw/zinc/74/62/24/974746224.db2.gz SWJFVAZWZAYRDT-CQSZACIVSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[NH2+]C1(CC)CCN(C(=O)CN(C)CCC)CC1 ZINC001502513446 974746604 /nfs/dbraw/zinc/74/66/04/974746604.db2.gz MPQMPGYKWOCVFS-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001502831821 974792763 /nfs/dbraw/zinc/79/27/63/974792763.db2.gz FYHQFJRAVOLJGF-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001505518615 974899067 /nfs/dbraw/zinc/89/90/67/974899067.db2.gz PSFZAIDYVMRRBD-UHFFFAOYSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001570740079 1170264789 /nfs/dbraw/zinc/26/47/89/1170264789.db2.gz LDOZWOACSZZRBM-HZPDHXFCSA-N 1 3 293.455 1.709 10 30 CDEEHO C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001570740079 1170264791 /nfs/dbraw/zinc/26/47/91/1170264791.db2.gz LDOZWOACSZZRBM-HZPDHXFCSA-N 1 3 293.455 1.709 10 30 CDEEHO CC#CCN1C[C@]2(C)CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001571063417 1170331706 /nfs/dbraw/zinc/33/17/06/1170331706.db2.gz ASTCJKNQHFLOHY-CALCHBBNSA-N 1 3 291.439 1.132 10 30 CDEEHO CC(C#N)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592879788 342743322 /nfs/dbraw/zinc/74/33/22/342743322.db2.gz CPDISPKPRVBISE-CFVMTHIKSA-N 1 3 271.364 1.608 10 30 CDEEHO CC(C#N)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592879788 342743323 /nfs/dbraw/zinc/74/33/23/342743323.db2.gz CPDISPKPRVBISE-CFVMTHIKSA-N 1 3 271.364 1.608 10 30 CDEEHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594438040 342906043 /nfs/dbraw/zinc/90/60/43/342906043.db2.gz MIUAZXVGXQONOM-GJZGRUSLSA-N 1 3 294.443 1.778 10 30 CDEEHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594438040 342906045 /nfs/dbraw/zinc/90/60/45/342906045.db2.gz MIUAZXVGXQONOM-GJZGRUSLSA-N 1 3 294.443 1.778 10 30 CDEEHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H](N)CCCCC#N ZINC000594440059 342907127 /nfs/dbraw/zinc/90/71/27/342907127.db2.gz YWXMLKQMEHWNOG-GJZGRUSLSA-N 1 3 294.443 1.730 10 30 CDEEHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H](N)CCCCC#N ZINC000594440059 342907128 /nfs/dbraw/zinc/90/71/28/342907128.db2.gz YWXMLKQMEHWNOG-GJZGRUSLSA-N 1 3 294.443 1.730 10 30 CDEEHO C[NH+](C)C1(CNC(=O)[C@@H](N)CCCCC#N)CCCC1 ZINC000594445469 342908730 /nfs/dbraw/zinc/90/87/30/342908730.db2.gz GHWKHEJVCPUHOZ-ZDUSSCGKSA-N 1 3 280.416 1.388 10 30 CDEEHO C[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)[C@@H]1CCC[NH3+] ZINC000595258978 343013719 /nfs/dbraw/zinc/01/37/19/343013719.db2.gz YFNGEAZPWFTCJQ-QLFBSQMISA-N 1 3 294.443 1.764 10 30 CDEEHO C[NH2+]CCOCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000600708470 349876021 /nfs/dbraw/zinc/87/60/21/349876021.db2.gz CWTMUXDZXXRIPF-MRXNPFEDSA-N 1 3 273.380 1.761 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001660476560 1172219178 /nfs/dbraw/zinc/21/91/78/1172219178.db2.gz WBPHUFCRDJTBGH-CVEARBPZSA-N 1 3 293.455 1.709 10 30 CDEEHO CN1CC[NH+](CCCCNCc2nc(C#N)cs2)CC1 ZINC000581853431 364047691 /nfs/dbraw/zinc/04/76/91/364047691.db2.gz CTLWGEGQWJTQKS-UHFFFAOYSA-N 1 3 293.440 1.132 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626970284 367107774 /nfs/dbraw/zinc/10/77/74/367107774.db2.gz JKMHFTAHJNLMQO-GXTWGEPZSA-N 1 3 280.416 1.077 10 30 CDEEHO C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)N1CCC[C@@H](C)C1 ZINC000161505737 375651168 /nfs/dbraw/zinc/65/11/68/375651168.db2.gz DDBMWWNWCPSALE-RDBSUJKOSA-N 1 3 282.432 1.190 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@@H](N)c2ccccc2)CCC[NH2+]1 ZINC000662412438 412979808 /nfs/dbraw/zinc/97/98/08/412979808.db2.gz FMSXOJXSZIHIQE-ZBFHGGJFSA-N 1 3 273.380 1.501 10 30 CDEEHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423184649 397602311 /nfs/dbraw/zinc/60/23/11/397602311.db2.gz MMBMRLUPFOSITN-CYBMUJFWSA-N 1 3 290.386 1.643 10 30 CDEEHO C=CC[C@]1(C(=O)NCCN(CC)C2CC2)CCC[NH2+]1 ZINC000662713843 413368905 /nfs/dbraw/zinc/36/89/05/413368905.db2.gz ZLJRVZCNHZWWTJ-OAHLLOKOSA-N 1 3 265.401 1.285 10 30 CDEEHO C=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001665996925 1173100257 /nfs/dbraw/zinc/10/02/57/1173100257.db2.gz ZPHCSSJTERREFQ-RDJZCZTQSA-N 1 3 293.455 1.920 10 30 CDEEHO C[C@@H]1CCC[C@](CNC(=[NH2+])NC2CC2)(N(C)C)C1 ZINC000120486444 263283149 /nfs/dbraw/zinc/28/31/49/263283149.db2.gz WZEMKBQIVAWERO-RISCZKNCSA-N 1 3 252.406 1.564 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000247444515 334281493 /nfs/dbraw/zinc/28/14/93/334281493.db2.gz SGNRBOMHJDHAGO-GOEBONIOSA-N 1 3 291.439 1.177 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000247444515 334281494 /nfs/dbraw/zinc/28/14/94/334281494.db2.gz SGNRBOMHJDHAGO-GOEBONIOSA-N 1 3 291.439 1.177 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001483272104 1160889094 /nfs/dbraw/zinc/88/90/94/1160889094.db2.gz KDPOERVNBZKWKN-LSDHHAIUSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713518012 1178620945 /nfs/dbraw/zinc/62/09/45/1178620945.db2.gz TYPMSFSEJWIEKP-KGLIPLIRSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713518012 1178620950 /nfs/dbraw/zinc/62/09/50/1178620950.db2.gz TYPMSFSEJWIEKP-KGLIPLIRSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001715365918 1179645128 /nfs/dbraw/zinc/64/51/28/1179645128.db2.gz FZDVELCCFXVZPL-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1CCCN(CC)CC1 ZINC000900631650 623317406 /nfs/dbraw/zinc/31/74/06/623317406.db2.gz BNMRJYMYTXEUSX-UHFFFAOYSA-N 1 3 253.390 1.049 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000876707143 630560155 /nfs/dbraw/zinc/56/01/55/630560155.db2.gz UQBMFQLZYAKSOR-LBPRGKRZSA-N 1 3 273.808 1.447 10 30 CDEEHO C=C[C@H](C)ONC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000854220501 678156276 /nfs/dbraw/zinc/15/62/76/678156276.db2.gz UWYRCNBVSKJCJW-STQMWFEESA-N 1 3 286.420 1.064 10 30 CDEEHO C=C[C@H](C)ONC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000854220501 678156277 /nfs/dbraw/zinc/15/62/77/678156277.db2.gz UWYRCNBVSKJCJW-STQMWFEESA-N 1 3 286.420 1.064 10 30 CDEEHO C=CCC[N@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001690977946 1158511578 /nfs/dbraw/zinc/51/15/78/1158511578.db2.gz MQQBQFFJEWWRFT-INIZCTEOSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CCC[N@@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001690977946 1158511581 /nfs/dbraw/zinc/51/15/81/1158511581.db2.gz MQQBQFFJEWWRFT-INIZCTEOSA-N 1 3 299.434 1.823 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000876507877 678281428 /nfs/dbraw/zinc/28/14/28/678281428.db2.gz POGLYRWVUAEKPW-CYBMUJFWSA-N 1 3 296.802 1.147 10 30 CDEEHO C#C[C@H](NC1CC[NH+](CC)CC1)C1CCOCC1 ZINC000827559361 678585357 /nfs/dbraw/zinc/58/53/57/678585357.db2.gz DVXYPTKDPQYADW-HNNXBMFYSA-N 1 3 250.386 1.489 10 30 CDEEHO C#CC[C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000829775234 679092382 /nfs/dbraw/zinc/09/23/82/679092382.db2.gz ZQBAOSFMBROWCY-LSDHHAIUSA-N 1 3 250.386 1.178 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000876711498 679375010 /nfs/dbraw/zinc/37/50/10/679375010.db2.gz ZDLKCHWQZFACKA-NSHDSACASA-N 1 3 273.808 1.447 10 30 CDEEHO CN(C)CCN(C(=O)C#CC1CC[NH2+]CC1)C1CCCC1 ZINC000852882274 679653275 /nfs/dbraw/zinc/65/32/75/679653275.db2.gz BIWRQEWZQNSHRG-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001691789902 1159419796 /nfs/dbraw/zinc/41/97/96/1159419796.db2.gz IELYVBHDMZRLQA-BZUAXINKSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001482889476 1160641195 /nfs/dbraw/zinc/64/11/95/1160641195.db2.gz QVAGEVUUTXQZAM-KGLIPLIRSA-N 1 3 267.417 1.080 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001566027164 1168216478 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C#CC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001699664218 1176558574 /nfs/dbraw/zinc/55/85/74/1176558574.db2.gz ASESCKGZRWNJBR-CQSZACIVSA-N 1 3 277.412 1.121 10 30 CDEEHO C=CC[NH+]1CCC(C)(NC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001699770243 1176615186 /nfs/dbraw/zinc/61/51/86/1176615186.db2.gz GLGWVQUYSOECAE-AWEZNQCLSA-N 1 3 299.434 1.823 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001700184919 1176789217 /nfs/dbraw/zinc/78/92/17/1176789217.db2.gz QDMXGUGHLHLSRL-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001700184919 1176789219 /nfs/dbraw/zinc/78/92/19/1176789219.db2.gz QDMXGUGHLHLSRL-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001700732347 1177098990 /nfs/dbraw/zinc/09/89/90/1177098990.db2.gz XWPGNFFOGWOURR-CQSZACIVSA-N 1 3 276.384 1.355 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001713220919 1178439523 /nfs/dbraw/zinc/43/95/23/1178439523.db2.gz 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C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001493108760 971952370 /nfs/dbraw/zinc/95/23/70/971952370.db2.gz REEKNFMTOLJCCZ-HUUCEWRRSA-N 1 3 297.418 1.270 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001493256779 971999311 /nfs/dbraw/zinc/99/93/11/971999311.db2.gz NYNPXANOPAUWPH-LSDHHAIUSA-N 1 3 281.444 1.587 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001493256779 971999314 /nfs/dbraw/zinc/99/93/14/971999314.db2.gz NYNPXANOPAUWPH-LSDHHAIUSA-N 1 3 281.444 1.587 10 30 CDEEHO C#CC[NH2+]C1(CC)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001327455539 954885760 /nfs/dbraw/zinc/88/57/60/954885760.db2.gz NJRXELSHDFSCCG-UHFFFAOYSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001491873213 955486517 /nfs/dbraw/zinc/48/65/17/955486517.db2.gz CPVZUCGINAFNPX-CABCVRRESA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCCN1CC[C@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001493959297 972145504 /nfs/dbraw/zinc/14/55/04/972145504.db2.gz 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/nfs/dbraw/zinc/33/27/49/958332749.db2.gz HYJFVZPAHZCOEV-UHFFFAOYSA-N 1 3 277.412 1.100 10 30 CDEEHO C#CCC[N@@H+]1CC=C(CNC(=O)CN(C)CCC)CC1 ZINC001333433036 958332761 /nfs/dbraw/zinc/33/27/61/958332761.db2.gz HYJFVZPAHZCOEV-UHFFFAOYSA-N 1 3 277.412 1.100 10 30 CDEEHO CC#CC[NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1 ZINC001321303068 959707628 /nfs/dbraw/zinc/70/76/28/959707628.db2.gz HEERBWSJTSQXHJ-WAYWQWQTSA-N 1 3 277.412 1.004 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001321418249 959776199 /nfs/dbraw/zinc/77/61/99/959776199.db2.gz YDDBBJAMQHEWID-YOVCOIKASA-N 1 3 277.412 1.145 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001323292552 960619850 /nfs/dbraw/zinc/61/98/50/960619850.db2.gz FVFIAYRYBBAWNQ-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001342308898 963706175 /nfs/dbraw/zinc/70/61/75/963706175.db2.gz ZXYLFAOYJXBZCJ-CJNGLKHVSA-N 1 3 281.444 1.894 10 30 CDEEHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC001349821920 966485373 /nfs/dbraw/zinc/48/53/73/966485373.db2.gz BLRHIFVXQWIPIM-KGLIPLIRSA-N 1 3 280.416 1.246 10 30 CDEEHO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC001349821920 966485378 /nfs/dbraw/zinc/48/53/78/966485378.db2.gz BLRHIFVXQWIPIM-KGLIPLIRSA-N 1 3 280.416 1.246 10 30 CDEEHO C#CCNC/C=C\CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497699453 973469004 /nfs/dbraw/zinc/46/90/04/973469004.db2.gz CZFIEROOAGUCNJ-WAYWQWQTSA-N 1 3 285.391 1.257 10 30 CDEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001569694961 1169967919 /nfs/dbraw/zinc/96/79/19/1169967919.db2.gz CFHASVCTOUVMSJ-INIZCTEOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001507292905 975401047 /nfs/dbraw/zinc/40/10/47/975401047.db2.gz MSXWWMFVZQIABC-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[NH+]1CCC([C@@H](C)NC(=O)CN(C)C2CCC2)CC1 ZINC001508059212 975594637 /nfs/dbraw/zinc/59/46/37/975594637.db2.gz MKAXSMGHVMAOQZ-CQSZACIVSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001398614009 976074734 /nfs/dbraw/zinc/07/47/34/976074734.db2.gz BAARNAWTQANACC-TXEJJXNPSA-N 1 3 285.819 1.460 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001674140664 1173917447 /nfs/dbraw/zinc/91/74/47/1173917447.db2.gz HWBLMUIJBPXJQN-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCN1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001675672912 1174136218 /nfs/dbraw/zinc/13/62/18/1174136218.db2.gz LCNVTUNUUCUZHN-UHFFFAOYSA-N 1 3 265.401 1.049 10 30 CDEEHO CC#CC[NH+]1CCC([C@H](C)NC(=O)CN(C)CCC)CC1 ZINC001677367620 1174354406 /nfs/dbraw/zinc/35/44/06/1174354406.db2.gz IOWHSGHKMCGPBJ-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001570398255 1170151397 /nfs/dbraw/zinc/15/13/97/1170151397.db2.gz ZAHCKIRPZKXAKS-LSDHHAIUSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001570398255 1170151401 /nfs/dbraw/zinc/15/14/01/1170151401.db2.gz ZAHCKIRPZKXAKS-LSDHHAIUSA-N 1 3 295.471 1.975 10 30 CDEEHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594439783 342906640 /nfs/dbraw/zinc/90/66/40/342906640.db2.gz ZSVCYMRGBXTVOQ-CABCVRRESA-N 1 3 294.443 1.492 10 30 CDEEHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594439783 342906643 /nfs/dbraw/zinc/90/66/43/342906643.db2.gz ZSVCYMRGBXTVOQ-CABCVRRESA-N 1 3 294.443 1.492 10 30 CDEEHO CC(C)(C#N)CCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595868552 343176383 /nfs/dbraw/zinc/17/63/83/343176383.db2.gz PUMRJOVWVOFONK-OAHLLOKOSA-N 1 3 279.428 1.847 10 30 CDEEHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000595938738 343202431 /nfs/dbraw/zinc/20/24/31/343202431.db2.gz RHHDBPKPQIMPKI-OLZOCXBDSA-N 1 3 280.416 1.387 10 30 CDEEHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000595938738 343202434 /nfs/dbraw/zinc/20/24/34/343202434.db2.gz RHHDBPKPQIMPKI-OLZOCXBDSA-N 1 3 280.416 1.387 10 30 CDEEHO C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000545247420 369174121 /nfs/dbraw/zinc/17/41/21/369174121.db2.gz LOAJAONXUHYXIG-CQSZACIVSA-N 1 3 269.433 1.541 10 30 CDEEHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000568632230 371228771 /nfs/dbraw/zinc/22/87/71/371228771.db2.gz MUXMRJRHODLRRJ-MAZHCROVSA-N 1 3 273.380 1.595 10 30 CDEEHO C[C@H](O)C[NH+]1CCC(CN(C)C[C@@H](C#N)CCC#N)CC1 ZINC000248089520 377199102 /nfs/dbraw/zinc/19/91/02/377199102.db2.gz FCBFJOLTXGGQBA-GOEBONIOSA-N 1 3 292.427 1.455 10 30 CDEEHO C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001662861543 1172606256 /nfs/dbraw/zinc/60/62/56/1172606256.db2.gz BJBVGIACICYWAN-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001662861543 1172606260 /nfs/dbraw/zinc/60/62/60/1172606260.db2.gz BJBVGIACICYWAN-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001663317248 1172671367 /nfs/dbraw/zinc/67/13/67/1172671367.db2.gz DNALNZJMJOQJHF-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001663317249 1172672088 /nfs/dbraw/zinc/67/20/88/1172672088.db2.gz DNALNZJMJOQJHF-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCC[NH2+]1 ZINC000662754155 413429861 /nfs/dbraw/zinc/42/98/61/413429861.db2.gz FQBPSMRDGABJIY-JGGQBBKZSA-N 1 3 277.412 1.284 10 30 CDEEHO C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001665350034 1172982793 /nfs/dbraw/zinc/98/27/93/1172982793.db2.gz FONLQUDIAIMVGR-HIFRSBDPSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001665681403 1173036987 /nfs/dbraw/zinc/03/69/87/1173036987.db2.gz FEKUOFSVYGENQE-LSDHHAIUSA-N 1 3 281.444 1.681 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001665681403 1173036993 /nfs/dbraw/zinc/03/69/93/1173036993.db2.gz FEKUOFSVYGENQE-LSDHHAIUSA-N 1 3 281.444 1.681 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@H]2CCN(CCC)C2)CCC[NH2+]1 ZINC000662910260 413693006 /nfs/dbraw/zinc/69/30/06/413693006.db2.gz MZERZCVLQOBGIZ-DZGCQCFKSA-N 1 3 265.401 1.285 10 30 CDEEHO CC(C)N(CC#CC[N@H+](C[C@@H](C)O)C(C)C)C[C@@H](C)O ZINC000341879201 263361932 /nfs/dbraw/zinc/36/19/32/263361932.db2.gz AYJBABXMEFLPLF-HZPDHXFCSA-N 1 3 284.444 1.172 10 30 CDEEHO CC(C)N(CC#CC[N@@H+](C[C@@H](C)O)C(C)C)C[C@@H](C)O ZINC000341879201 263361933 /nfs/dbraw/zinc/36/19/33/263361933.db2.gz AYJBABXMEFLPLF-HZPDHXFCSA-N 1 3 284.444 1.172 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCC(=C)C)CC1 ZINC001669482041 1173555212 /nfs/dbraw/zinc/55/52/12/1173555212.db2.gz DQEFSQLAZIXKCX-OAHLLOKOSA-N 1 3 291.439 1.392 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267032707 1159093798 /nfs/dbraw/zinc/09/37/98/1159093798.db2.gz LGTICAIGIPUOMZ-GJZGRUSLSA-N 1 3 279.428 1.485 10 30 CDEEHO CCN1CCC[C@H]1CN(C)C(NCC1(O)CCCC1)=[NH+]C ZINC000262818551 330033919 /nfs/dbraw/zinc/03/39/19/330033919.db2.gz XHZUGLLEZIFMCN-AWEZNQCLSA-N 1 3 296.459 1.283 10 30 CDEEHO C=CC[C@H](CO)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423030640 330166378 /nfs/dbraw/zinc/16/63/78/330166378.db2.gz CBRVLOQOEATTMO-KMFMINBZSA-N 1 3 288.391 1.769 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001271119645 1160246807 /nfs/dbraw/zinc/24/68/07/1160246807.db2.gz CTLYYYDWJGCKMS-CHWSQXEVSA-N 1 3 278.400 1.743 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001717376036 1180635428 /nfs/dbraw/zinc/63/54/28/1180635428.db2.gz IZIWHHVPTXGUCL-KBPBESRZSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001717376036 1180635435 /nfs/dbraw/zinc/63/54/35/1180635435.db2.gz IZIWHHVPTXGUCL-KBPBESRZSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CCOc1ccccc1CNCC1(O)CC[NH+](C)CC1 ZINC000344529554 526948723 /nfs/dbraw/zinc/94/87/23/526948723.db2.gz JJNVQYROUDOAER-UHFFFAOYSA-N 1 3 290.407 1.798 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](CC)N[C@@H](C)C1 ZINC000912731235 630182757 /nfs/dbraw/zinc/18/27/57/630182757.db2.gz PKJKPKXUSBOYFC-QWHCGFSZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCC[N@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001690977947 1158511519 /nfs/dbraw/zinc/51/15/19/1158511519.db2.gz MQQBQFFJEWWRFT-MRXNPFEDSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CCC[N@@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001690977947 1158511522 /nfs/dbraw/zinc/51/15/22/1158511522.db2.gz MQQBQFFJEWWRFT-MRXNPFEDSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CCN1CC[C@H](N(C)CCCCCC[NH3+])C1=O ZINC000872155044 681235776 /nfs/dbraw/zinc/23/57/76/681235776.db2.gz ALQKTJJNRAHBLK-ZDUSSCGKSA-N 1 3 253.390 1.224 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000876708500 679803090 /nfs/dbraw/zinc/80/30/90/679803090.db2.gz RVHIQJBDMNKKSS-JTQLQIEISA-N 1 3 261.797 1.160 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000876716684 681887073 /nfs/dbraw/zinc/88/70/73/681887073.db2.gz KCTLQJRGGRXEDH-NEPJUHHUSA-N 1 3 275.824 1.549 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000876947768 681220435 /nfs/dbraw/zinc/22/04/35/681220435.db2.gz BDMFRHNINQNYTF-DLOVCJGASA-N 1 3 273.808 1.432 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000876717052 681895754 /nfs/dbraw/zinc/89/57/54/681895754.db2.gz UUGNWLUSESROTG-ZDUSSCGKSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000876935913 682010636 /nfs/dbraw/zinc/01/06/36/682010636.db2.gz SQLNDFYKRIBSCO-WDEREUQCSA-N 1 3 271.792 1.247 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1CC ZINC001670596529 1158654515 /nfs/dbraw/zinc/65/45/15/1158654515.db2.gz WLQKTBQOGCVFRK-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000876854403 682478125 /nfs/dbraw/zinc/47/81/25/682478125.db2.gz SHQLAOFWCVHPJU-STQMWFEESA-N 1 3 285.819 1.304 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000876733007 682647850 /nfs/dbraw/zinc/64/78/50/682647850.db2.gz LXCFQAQKWCKMDD-MNOVXSKESA-N 1 3 261.797 1.303 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000876967907 683478278 /nfs/dbraw/zinc/47/82/78/683478278.db2.gz MZWNLMKNDQZOBO-YATPEIPISA-N 1 3 271.792 1.198 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000876967907 683478284 /nfs/dbraw/zinc/47/82/84/683478284.db2.gz MZWNLMKNDQZOBO-YATPEIPISA-N 1 3 271.792 1.198 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000876770571 683690715 /nfs/dbraw/zinc/69/07/15/683690715.db2.gz HNHXGCDOZUGJEG-XQQFMLRXSA-N 1 3 287.835 1.788 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000876770571 683690726 /nfs/dbraw/zinc/69/07/26/683690726.db2.gz HNHXGCDOZUGJEG-XQQFMLRXSA-N 1 3 287.835 1.788 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000876708676 684001166 /nfs/dbraw/zinc/00/11/66/684001166.db2.gz XMQSILTXTVRQRV-LBPRGKRZSA-N 1 3 275.824 1.691 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001568466502 1169302283 /nfs/dbraw/zinc/30/22/83/1169302283.db2.gz AEQNWMFOTUXJTI-UONOGXRCSA-N 1 3 267.417 1.080 10 30 CDEEHO C#CC[NH2+]C1(CC)CCN(C(=O)CN(C)CCC)CC1 ZINC001570263307 1170123115 /nfs/dbraw/zinc/12/31/15/1170123115.db2.gz JVUBNHUZOWRFQK-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001664457019 1172855827 /nfs/dbraw/zinc/85/58/27/1172855827.db2.gz GLLVNYJSUFQGLF-GFCCVEGCSA-N 1 3 276.384 1.355 10 30 CDEEHO C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001665996922 1173100155 /nfs/dbraw/zinc/10/01/55/1173100155.db2.gz ZPHCSSJTERREFQ-DOTOQJQBSA-N 1 3 293.455 1.920 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001668581146 1173429861 /nfs/dbraw/zinc/42/98/61/1173429861.db2.gz DIFNTIQPIKZFBK-HZPDHXFCSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001668581146 1173429862 /nfs/dbraw/zinc/42/98/62/1173429862.db2.gz DIFNTIQPIKZFBK-HZPDHXFCSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001692384723 1175758953 /nfs/dbraw/zinc/75/89/53/1175758953.db2.gz YGDOREKVLOILNN-ILXRZTDVSA-N 1 3 277.412 1.189 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001692384723 1175758959 /nfs/dbraw/zinc/75/89/59/1175758959.db2.gz YGDOREKVLOILNN-ILXRZTDVSA-N 1 3 277.412 1.189 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001698573482 1175850944 /nfs/dbraw/zinc/85/09/44/1175850944.db2.gz DLEGNKUIJCTMDX-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001698573482 1175850952 /nfs/dbraw/zinc/85/09/52/1175850952.db2.gz DLEGNKUIJCTMDX-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001700052222 1176731908 /nfs/dbraw/zinc/73/19/08/1176731908.db2.gz GOYQKWSFQFTJNZ-KBPBESRZSA-N 1 3 299.846 1.661 10 30 CDEEHO C#CCCN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001713704623 1178715873 /nfs/dbraw/zinc/71/58/73/1178715873.db2.gz ZFCMZJIYDIMKLX-IAGOWNOFSA-N 1 3 299.418 1.409 10 30 CDEEHO C#CCCN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001713704623 1178715878 /nfs/dbraw/zinc/71/58/78/1178715878.db2.gz ZFCMZJIYDIMKLX-IAGOWNOFSA-N 1 3 299.418 1.409 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001713892229 1178823759 /nfs/dbraw/zinc/82/37/59/1178823759.db2.gz SKJPFVHGXMPRGE-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001713892229 1178823767 /nfs/dbraw/zinc/82/37/67/1178823767.db2.gz SKJPFVHGXMPRGE-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001714042999 1178944621 /nfs/dbraw/zinc/94/46/21/1178944621.db2.gz KWTVFHCVNNKNFB-CABCVRRESA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001714042999 1178944626 /nfs/dbraw/zinc/94/46/26/1178944626.db2.gz KWTVFHCVNNKNFB-CABCVRRESA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001715386133 1179652860 /nfs/dbraw/zinc/65/28/60/1179652860.db2.gz MEDKJEZYOVRJPC-HOCLYGCPSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001715466781 1179674104 /nfs/dbraw/zinc/67/41/04/1179674104.db2.gz OBBMNDWYNVSDEN-KGLIPLIRSA-N 1 3 288.395 1.192 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001717358899 1180627630 /nfs/dbraw/zinc/62/76/30/1180627630.db2.gz WDYSPHQKGRGJSL-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001724785359 1181753657 /nfs/dbraw/zinc/75/36/57/1181753657.db2.gz QZQZKBRXXDYLTQ-UHFFFAOYSA-N 1 3 265.401 1.285 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001725059752 1181839246 /nfs/dbraw/zinc/83/92/46/1181839246.db2.gz SGEDGHBKOQWEFU-INIZCTEOSA-N 1 3 293.455 1.971 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001725059752 1181839252 /nfs/dbraw/zinc/83/92/52/1181839252.db2.gz SGEDGHBKOQWEFU-INIZCTEOSA-N 1 3 293.455 1.971 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001732455011 1182974981 /nfs/dbraw/zinc/97/49/81/1182974981.db2.gz RAQPJKPISOQICW-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001733929044 1183572081 /nfs/dbraw/zinc/57/20/81/1183572081.db2.gz MJARHTUWSGSYFH-MRXNPFEDSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001733929044 1183572085 /nfs/dbraw/zinc/57/20/85/1183572085.db2.gz MJARHTUWSGSYFH-MRXNPFEDSA-N 1 3 291.439 1.417 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001733931142 1183574119 /nfs/dbraw/zinc/57/41/19/1183574119.db2.gz WMKCVCVUUBKKQQ-HOTGVXAUSA-N 1 3 291.439 1.437 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001566465214 1168289596 /nfs/dbraw/zinc/28/95/96/1168289596.db2.gz KEIUUUPYTJOUDD-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001566465214 1168289602 /nfs/dbraw/zinc/28/96/02/1168289602.db2.gz KEIUUUPYTJOUDD-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001566488240 1168306137 /nfs/dbraw/zinc/30/61/37/1168306137.db2.gz LDSITABPGNASMP-CQSZACIVSA-N 1 3 269.433 1.587 10 30 CDEEHO C=C(C)C[N@H+](C)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001566488240 1168306143 /nfs/dbraw/zinc/30/61/43/1168306143.db2.gz LDSITABPGNASMP-CQSZACIVSA-N 1 3 269.433 1.587 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267689101 899283047 /nfs/dbraw/zinc/28/30/47/899283047.db2.gz BMLULWOFUQZWPJ-AWEZNQCLSA-N 1 3 290.411 1.699 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267689101 899283058 /nfs/dbraw/zinc/28/30/58/899283058.db2.gz BMLULWOFUQZWPJ-AWEZNQCLSA-N 1 3 290.411 1.699 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001267716745 899359193 /nfs/dbraw/zinc/35/91/93/899359193.db2.gz RZGFZLHBQLIDDZ-JYJNAYRXSA-N 1 3 293.455 1.824 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001267988517 900207361 /nfs/dbraw/zinc/20/73/61/900207361.db2.gz UJZYSXDBRKFFGA-LSDHHAIUSA-N 1 3 279.428 1.226 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001481508317 900965433 /nfs/dbraw/zinc/96/54/33/900965433.db2.gz IZFOJBZYZLDUOW-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001481508317 900965446 /nfs/dbraw/zinc/96/54/46/900965446.db2.gz IZFOJBZYZLDUOW-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001268110512 901313454 /nfs/dbraw/zinc/31/34/54/901313454.db2.gz GMRDBHOJFMQUTJ-LSDHHAIUSA-N 1 3 281.444 1.635 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001268161023 901454602 /nfs/dbraw/zinc/45/46/02/901454602.db2.gz NIZAFXXEMPLFSW-OAHLLOKOSA-N 1 3 290.411 1.889 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001269980842 904248347 /nfs/dbraw/zinc/24/83/47/904248347.db2.gz ICGXEFZNLQGHJM-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001270420257 904624850 /nfs/dbraw/zinc/62/48/50/904624850.db2.gz RHLWENAHNNRCFA-GJZGRUSLSA-N 1 3 281.444 1.779 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001271577156 906525406 /nfs/dbraw/zinc/52/54/06/906525406.db2.gz RIFNTHOWZNZFOF-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001271853764 906901437 /nfs/dbraw/zinc/90/14/37/906901437.db2.gz LQOGHWNPFGPIOS-ZDUSSCGKSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567943926 1169086306 /nfs/dbraw/zinc/08/63/06/1169086306.db2.gz JGIOLXWFLFELBM-GJZGRUSLSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567943926 1169086315 /nfs/dbraw/zinc/08/63/15/1169086315.db2.gz JGIOLXWFLFELBM-GJZGRUSLSA-N 1 3 279.428 1.437 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001483448660 911131351 /nfs/dbraw/zinc/13/13/51/911131351.db2.gz XJXHNMGYEMFZLU-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCCC[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484548360 915871203 /nfs/dbraw/zinc/87/12/03/915871203.db2.gz CCPKLARGFPNYSA-INIZCTEOSA-N 1 3 293.455 1.877 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001484663446 916009633 /nfs/dbraw/zinc/00/96/33/916009633.db2.gz UOBVOEHAHCVKSZ-GJZGRUSLSA-N 1 3 291.439 1.511 10 30 CDEEHO C=C(C)C[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001485102652 916501925 /nfs/dbraw/zinc/50/19/25/916501925.db2.gz NAUUDNMQQITDBF-NFOMZHRRSA-N 1 3 279.428 1.389 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272782296 919270596 /nfs/dbraw/zinc/27/05/96/919270596.db2.gz NFFQQUVBOWBXNR-YNEHKIRRSA-N 1 3 287.835 1.564 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272782296 919270609 /nfs/dbraw/zinc/27/06/09/919270609.db2.gz NFFQQUVBOWBXNR-YNEHKIRRSA-N 1 3 287.835 1.564 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486178405 920781573 /nfs/dbraw/zinc/78/15/73/920781573.db2.gz CRMHQLWWZXBZCU-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C(C)C ZINC001568464446 1169300546 /nfs/dbraw/zinc/30/05/46/1169300546.db2.gz WKTVNDVAZPXHAX-CVEARBPZSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001568532682 1169351799 /nfs/dbraw/zinc/35/17/99/1169351799.db2.gz HVASTEUTGCHBSZ-HUUCEWRRSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[NH2+]C/C=C/CNC(=O)CN(C)CC(C)(C)C ZINC001274367331 931494219 /nfs/dbraw/zinc/49/42/19/931494219.db2.gz AUEIMYMGHCEANT-BQYQJAHWSA-N 1 3 281.444 1.802 10 30 CDEEHO C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001276147681 932567437 /nfs/dbraw/zinc/56/74/37/932567437.db2.gz TWMVBXLARSXUSX-HOTGVXAUSA-N 1 3 295.471 1.669 10 30 CDEEHO C=C(C)C[N@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001279637294 942399411 /nfs/dbraw/zinc/39/94/11/942399411.db2.gz VWCAKHLLTQQWCO-OAHLLOKOSA-N 1 3 291.439 1.653 10 30 CDEEHO C=C(C)C[N@@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001279637294 942399416 /nfs/dbraw/zinc/39/94/16/942399416.db2.gz VWCAKHLLTQQWCO-OAHLLOKOSA-N 1 3 291.439 1.653 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001282717810 942744163 /nfs/dbraw/zinc/74/41/63/942744163.db2.gz UWVKMSOXWJPTDC-GOEBONIOSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001282717810 942744168 /nfs/dbraw/zinc/74/41/68/942744168.db2.gz UWVKMSOXWJPTDC-GOEBONIOSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001277929879 944102493 /nfs/dbraw/zinc/10/24/93/944102493.db2.gz TYOVGCGTONKGHA-UONOGXRCSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001265435821 944387978 /nfs/dbraw/zinc/38/79/78/944387978.db2.gz UPTBUSZBEZAXHZ-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001265964048 944603364 /nfs/dbraw/zinc/60/33/64/944603364.db2.gz PTGVDYNYYMFFMX-ZIAGYGMSSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CCCN1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266222098 944769984 /nfs/dbraw/zinc/76/99/84/944769984.db2.gz NPURXNCHXRFBCN-JKSUJKDBSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCCN1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266222098 944769992 /nfs/dbraw/zinc/76/99/92/944769992.db2.gz NPURXNCHXRFBCN-JKSUJKDBSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480255210 971649449 /nfs/dbraw/zinc/64/94/49/971649449.db2.gz RNVORGAJDWWNBQ-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480255210 971649453 /nfs/dbraw/zinc/64/94/53/971649453.db2.gz RNVORGAJDWWNBQ-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCN1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001278671805 951448835 /nfs/dbraw/zinc/44/88/35/951448835.db2.gz CIUBEFCZPCYFAC-MRXNPFEDSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CCC)CC1 ZINC001324439987 953388380 /nfs/dbraw/zinc/38/83/80/953388380.db2.gz OKZBLQNKCPCINL-MRXNPFEDSA-N 1 3 293.455 1.663 10 30 CDEEHO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001330242408 956344300 /nfs/dbraw/zinc/34/43/00/956344300.db2.gz BLHLDSAQKFHCDA-CABCVRRESA-N 1 3 295.471 1.975 10 30 CDEEHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001330242408 956344309 /nfs/dbraw/zinc/34/43/09/956344309.db2.gz BLHLDSAQKFHCDA-CABCVRRESA-N 1 3 295.471 1.975 10 30 CDEEHO C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001317011973 956924822 /nfs/dbraw/zinc/92/48/22/956924822.db2.gz FSSOKVGEQPLEHI-HZPDHXFCSA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317153402 957309208 /nfs/dbraw/zinc/30/92/08/957309208.db2.gz QKEWGEHOUYJXEY-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001317194292 957336048 /nfs/dbraw/zinc/33/60/48/957336048.db2.gz WYZXCFPZGGEICF-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317381723 957443363 /nfs/dbraw/zinc/44/33/63/957443363.db2.gz BVDKOMSIWLVIAS-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317381723 957443366 /nfs/dbraw/zinc/44/33/66/957443366.db2.gz BVDKOMSIWLVIAS-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CCN1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317524739 957529751 /nfs/dbraw/zinc/52/97/51/957529751.db2.gz BMHYJTPRFUMMAK-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001317524739 957529760 /nfs/dbraw/zinc/52/97/60/957529760.db2.gz BMHYJTPRFUMMAK-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001332928372 957951878 /nfs/dbraw/zinc/95/18/78/957951878.db2.gz HXHZAPZPQZUYHQ-CQSZACIVSA-N 1 3 274.368 1.173 10 30 CDEEHO C#CCNCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001318991687 958331266 /nfs/dbraw/zinc/33/12/66/958331266.db2.gz YVPGROYPFUBTKV-RHSMWYFYSA-N 1 3 299.418 1.366 10 30 CDEEHO C#CCNCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001318991687 958331276 /nfs/dbraw/zinc/33/12/76/958331276.db2.gz YVPGROYPFUBTKV-RHSMWYFYSA-N 1 3 299.418 1.366 10 30 CDEEHO C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001320544868 959230042 /nfs/dbraw/zinc/23/00/42/959230042.db2.gz VGXZPDJVWWWBIF-QWHCGFSZSA-N 1 3 255.406 1.243 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001322194319 960125969 /nfs/dbraw/zinc/12/59/69/960125969.db2.gz RBIQUUONOHBXNV-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001322194319 960125976 /nfs/dbraw/zinc/12/59/76/960125976.db2.gz RBIQUUONOHBXNV-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001496603484 972984816 /nfs/dbraw/zinc/98/48/16/972984816.db2.gz SGORHQJWTSABSQ-ZIAGYGMSSA-N 1 3 267.417 1.245 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001376957613 974830164 /nfs/dbraw/zinc/83/01/64/974830164.db2.gz XYQXYNPPXXFGRK-CHWSQXEVSA-N 1 3 287.835 1.517 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001505693869 974966930 /nfs/dbraw/zinc/96/69/30/974966930.db2.gz GMKZADXTJYWBMS-UONOGXRCSA-N 1 3 281.444 1.470 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001505922315 975043784 /nfs/dbraw/zinc/04/37/84/975043784.db2.gz LTPLTVYAUUYUNJ-HZSPNIEDSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001505922315 975043785 /nfs/dbraw/zinc/04/37/85/975043785.db2.gz LTPLTVYAUUYUNJ-HZSPNIEDSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001570540807 1170183012 /nfs/dbraw/zinc/18/30/12/1170183012.db2.gz TURXSQATRTXMPL-ZDUSSCGKSA-N 1 3 253.390 1.047 10 30 CDEEHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594437658 342905939 /nfs/dbraw/zinc/90/59/39/342905939.db2.gz XAPTWPLTPJIUTI-DZGCQCFKSA-N 1 3 294.443 1.586 10 30 CDEEHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCCC#N)C[C@H]1C ZINC000594440095 342907083 /nfs/dbraw/zinc/90/70/83/342907083.db2.gz ZKSLXUYXQKWTSU-QLFBSQMISA-N 1 3 294.443 1.729 10 30 CDEEHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCCC#N)C[C@H]1C ZINC000594440095 342907084 /nfs/dbraw/zinc/90/70/84/342907084.db2.gz ZKSLXUYXQKWTSU-QLFBSQMISA-N 1 3 294.443 1.729 10 30 CDEEHO CCC[NH+]1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594440595 342907169 /nfs/dbraw/zinc/90/71/69/342907169.db2.gz GTMVHXJZLHPMHV-CQSZACIVSA-N 1 3 280.416 1.388 10 30 CDEEHO C[C@H](CNC[C@@H](O)CC1(C#N)CC1)C[NH+]1CCCC1 ZINC000600717258 342244235 /nfs/dbraw/zinc/24/42/35/342244235.db2.gz PRSJHSATCZAQQN-KGLIPLIRSA-N 1 3 265.401 1.363 10 30 CDEEHO C[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)CN1CCCC1 ZINC000600717258 342244236 /nfs/dbraw/zinc/24/42/36/342244236.db2.gz PRSJHSATCZAQQN-KGLIPLIRSA-N 1 3 265.401 1.363 10 30 CDEEHO N#CC1(C[C@@H](O)CNC2CC[NH+](C3CCC3)CC2)CC1 ZINC000600735036 342246138 /nfs/dbraw/zinc/24/61/38/342246138.db2.gz HNJOXAJCADGKSH-OAHLLOKOSA-N 1 3 277.412 1.648 10 30 CDEEHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594425156 342904278 /nfs/dbraw/zinc/90/42/78/342904278.db2.gz KDWKYKXQVHOKGI-RWMBFGLXSA-N 1 3 266.389 1.126 10 30 CDEEHO CN1CCC(O)(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594924164 342988658 /nfs/dbraw/zinc/98/86/58/342988658.db2.gz WVJUQVCKMZQYAG-UHFFFAOYSA-N 1 3 299.418 1.788 10 30 CDEEHO N#Cc1cccc(C2(NCCC[NH3+])CCOCC2)c1 ZINC000595910755 343189970 /nfs/dbraw/zinc/18/99/70/343189970.db2.gz RFMAEPWWTHXFLD-UHFFFAOYSA-N 1 3 259.353 1.502 10 30 CDEEHO N#CCCOCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000339044929 391244859 /nfs/dbraw/zinc/24/48/59/391244859.db2.gz QNTOROFKMMGVIP-ZBFHGGJFSA-N 1 3 277.412 1.865 10 30 CDEEHO N#CCCOCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000339044929 391244862 /nfs/dbraw/zinc/24/48/62/391244862.db2.gz QNTOROFKMMGVIP-ZBFHGGJFSA-N 1 3 277.412 1.865 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@@H](C)N(C)C2CC2)CCC[NH2+]1 ZINC000662712830 413364959 /nfs/dbraw/zinc/36/49/59/413364959.db2.gz LQRBOKBBWXXTRD-IUODEOHRSA-N 1 3 265.401 1.284 10 30 CDEEHO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1sccc1C#CCN ZINC000043684123 175093262 /nfs/dbraw/zinc/09/32/62/175093262.db2.gz XYCDUAUTKOWBNX-DGCLKSJQSA-N 1 3 291.420 1.144 10 30 CDEEHO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1sccc1C#CCN ZINC000043684123 175093263 /nfs/dbraw/zinc/09/32/63/175093263.db2.gz XYCDUAUTKOWBNX-DGCLKSJQSA-N 1 3 291.420 1.144 10 30 CDEEHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(C#CCN)s1 ZINC000071192982 176074725 /nfs/dbraw/zinc/07/47/25/176074725.db2.gz YTQLIZKFZGZWSW-GFCCVEGCSA-N 1 3 291.420 1.082 10 30 CDEEHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#CCN)s1 ZINC000071192982 176074726 /nfs/dbraw/zinc/07/47/26/176074726.db2.gz YTQLIZKFZGZWSW-GFCCVEGCSA-N 1 3 291.420 1.082 10 30 CDEEHO C=CC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001666368452 1173129549 /nfs/dbraw/zinc/12/95/49/1173129549.db2.gz ZMYRYIICSPXUCH-INIZCTEOSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCOc1ccccc1CN1CCC(O)(C[NH3+])CC1 ZINC000415145651 263278032 /nfs/dbraw/zinc/27/80/32/263278032.db2.gz WWWHAASEIGYMPB-UHFFFAOYSA-N 1 3 276.380 1.537 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001667492795 1173275235 /nfs/dbraw/zinc/27/52/35/1173275235.db2.gz DDNBDPQPFBZBPV-CABCVRRESA-N 1 3 281.444 1.635 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268735964 1160012995 /nfs/dbraw/zinc/01/29/95/1160012995.db2.gz PNXCWQVTQJKSKN-OLZOCXBDSA-N 1 3 255.406 1.195 10 30 CDEEHO C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268735964 1160013004 /nfs/dbraw/zinc/01/30/04/1160013004.db2.gz PNXCWQVTQJKSKN-OLZOCXBDSA-N 1 3 255.406 1.195 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001713362295 1178521307 /nfs/dbraw/zinc/52/13/07/1178521307.db2.gz VZIWCIUSECXUBF-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001716497609 1180254074 /nfs/dbraw/zinc/25/40/74/1180254074.db2.gz MQZHAZHMCQRIQI-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001716497609 1180254077 /nfs/dbraw/zinc/25/40/77/1180254077.db2.gz MQZHAZHMCQRIQI-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000925769883 617628368 /nfs/dbraw/zinc/62/83/68/617628368.db2.gz GQSCAWBWIJLXRG-JSGCOSHPSA-N 1 3 263.385 1.826 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000876729335 684897868 /nfs/dbraw/zinc/89/78/68/684897868.db2.gz KMTCAKUYQWNCNF-CHWSQXEVSA-N 1 3 285.819 1.543 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518715 685810096 /nfs/dbraw/zinc/81/00/96/685810096.db2.gz WZVDBXBBZQNDDY-ZDUSSCGKSA-N 1 3 281.787 1.274 10 30 CDEEHO C[NH+]=C(NCc1ccoc1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000245644620 686886759 /nfs/dbraw/zinc/88/67/59/686886759.db2.gz SZAWOBQDFZBKJY-GXTWGEPZSA-N 1 3 278.400 1.673 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000876956173 687149788 /nfs/dbraw/zinc/14/97/88/687149788.db2.gz FRXXAPAACHQDQM-KBPBESRZSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000876809621 1165921058 /nfs/dbraw/zinc/92/10/58/1165921058.db2.gz VPPTWKRZWQGTMZ-NSHDSACASA-N 1 3 253.733 1.554 10 30 CDEEHO C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001567738111 1168943363 /nfs/dbraw/zinc/94/33/63/1168943363.db2.gz MJSIVVWCQVFZLV-HNNXBMFYSA-N 1 3 293.455 1.378 10 30 CDEEHO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001567738111 1168943369 /nfs/dbraw/zinc/94/33/69/1168943369.db2.gz MJSIVVWCQVFZLV-HNNXBMFYSA-N 1 3 293.455 1.378 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001569565910 1169926048 /nfs/dbraw/zinc/92/60/48/1169926048.db2.gz HCCJBKOKYUYFME-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001571117945 1170337968 /nfs/dbraw/zinc/33/79/68/1170337968.db2.gz MIFMVDJZCOECIT-BZUAXINKSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001571486358 1170450600 /nfs/dbraw/zinc/45/06/00/1170450600.db2.gz CWJQBNFILUAHDI-KBPBESRZSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)(C)C ZINC001571624920 1170500815 /nfs/dbraw/zinc/50/08/15/1170500815.db2.gz SMSKHDBMNXYKSX-LSDHHAIUSA-N 1 3 293.455 1.613 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001663317247 1172671952 /nfs/dbraw/zinc/67/19/52/1172671952.db2.gz DNALNZJMJOQJHF-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001691861206 1175637612 /nfs/dbraw/zinc/63/76/12/1175637612.db2.gz RYEAUXUIABSHAI-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001700770640 1177124491 /nfs/dbraw/zinc/12/44/91/1177124491.db2.gz OZTPVDQEXZXSTO-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001713221904 1178440508 /nfs/dbraw/zinc/44/05/08/1178440508.db2.gz SXZJKUVDVSLWHS-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001713221904 1178440511 /nfs/dbraw/zinc/44/05/11/1178440511.db2.gz SXZJKUVDVSLWHS-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCCN1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001713255149 1178455602 /nfs/dbraw/zinc/45/56/02/1178455602.db2.gz GLKJSQNDDWQJAN-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001713379951 1178529247 /nfs/dbraw/zinc/52/92/47/1178529247.db2.gz YBWWQLZDAHHJLU-CABCVRRESA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001714075717 1178961187 /nfs/dbraw/zinc/96/11/87/1178961187.db2.gz ZHBWULRQJPGJJR-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001714351961 1179101391 /nfs/dbraw/zinc/10/13/91/1179101391.db2.gz WZLRANMPTBMIQO-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001714455729 1179146239 /nfs/dbraw/zinc/14/62/39/1179146239.db2.gz ZIAGGBPTRIMARG-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001714455729 1179146241 /nfs/dbraw/zinc/14/62/41/1179146241.db2.gz ZIAGGBPTRIMARG-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001715257387 1179598795 /nfs/dbraw/zinc/59/87/95/1179598795.db2.gz OJNJGUQOGKJOSU-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCN1CCC[C@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001716901014 1180458130 /nfs/dbraw/zinc/45/81/30/1180458130.db2.gz ZDNAVCGWNZUCMK-MRXNPFEDSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCN1CCC[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001716901014 1180458133 /nfs/dbraw/zinc/45/81/33/1180458133.db2.gz ZDNAVCGWNZUCMK-MRXNPFEDSA-N 1 3 281.444 1.733 10 30 CDEEHO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001717811176 1180870816 /nfs/dbraw/zinc/87/08/16/1180870816.db2.gz BVKHURSRSAYIOO-ZIAGYGMSSA-N 1 3 277.412 1.073 10 30 CDEEHO CC#CCN1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001717843182 1180889485 /nfs/dbraw/zinc/88/94/85/1180889485.db2.gz WHOPXAFJRGGZHG-NVXWUHKLSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001725147867 1181882378 /nfs/dbraw/zinc/88/23/78/1181882378.db2.gz BBHCXNNOCKVCDO-UHFFFAOYSA-N 1 3 264.373 1.212 10 30 CDEEHO CC#CCN1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001731857427 1182630727 /nfs/dbraw/zinc/63/07/27/1182630727.db2.gz LRAODVKCXGVOOJ-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001732049358 1182740808 /nfs/dbraw/zinc/74/08/08/1182740808.db2.gz QIXMULFILUVUBJ-LSDHHAIUSA-N 1 3 297.418 1.128 10 30 CDEEHO C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001732049358 1182740815 /nfs/dbraw/zinc/74/08/15/1182740815.db2.gz QIXMULFILUVUBJ-LSDHHAIUSA-N 1 3 297.418 1.128 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001732437152 1182965129 /nfs/dbraw/zinc/96/51/29/1182965129.db2.gz ADHJEEIDUCKSJA-CYBMUJFWSA-N 1 3 269.433 1.587 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001734498975 1183800713 /nfs/dbraw/zinc/80/07/13/1183800713.db2.gz AGHHBVKGJTXLOL-GJZGRUSLSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001566756655 1168409591 /nfs/dbraw/zinc/40/95/91/1168409591.db2.gz TYRZBGDXVZPTQZ-IYBDPMFKSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001566756655 1168409595 /nfs/dbraw/zinc/40/95/95/1168409595.db2.gz TYRZBGDXVZPTQZ-IYBDPMFKSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001567167408 1168603833 /nfs/dbraw/zinc/60/38/33/1168603833.db2.gz OHKXTFQDLCBULO-HUUCEWRRSA-N 1 3 291.439 1.511 10 30 CDEEHO C=C(C)CN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001567442022 1168763566 /nfs/dbraw/zinc/76/35/66/1168763566.db2.gz FFTZEWNTEQXJEK-JKSUJKDBSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001567442022 1168763574 /nfs/dbraw/zinc/76/35/74/1168763574.db2.gz FFTZEWNTEQXJEK-JKSUJKDBSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001266770422 896012742 /nfs/dbraw/zinc/01/27/42/896012742.db2.gz VWOQEKNWCLQQHI-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001266770422 896012757 /nfs/dbraw/zinc/01/27/57/896012757.db2.gz VWOQEKNWCLQQHI-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[N@H+](CC)CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001481018827 898504294 /nfs/dbraw/zinc/50/42/94/898504294.db2.gz SHNFVPFAUUYEAM-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+](CC)CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001481018827 898504305 /nfs/dbraw/zinc/50/43/05/898504305.db2.gz SHNFVPFAUUYEAM-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001272641791 914291078 /nfs/dbraw/zinc/29/10/78/914291078.db2.gz OORIBDQGBDUIKM-INIZCTEOSA-N 1 3 293.455 1.877 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)CN(C)CCC)C(C)C ZINC001268223867 901599242 /nfs/dbraw/zinc/59/92/42/901599242.db2.gz QSQZGXMWAYNWGT-CQSZACIVSA-N 1 3 267.417 1.082 10 30 CDEEHO C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001268404208 902003574 /nfs/dbraw/zinc/00/35/74/902003574.db2.gz RPKKBDLETWEQPH-HZPDHXFCSA-N 1 3 293.455 1.757 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001268734414 903054463 /nfs/dbraw/zinc/05/44/63/903054463.db2.gz WGRGZWSUOFUJOA-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001268734414 903054474 /nfs/dbraw/zinc/05/44/74/903054474.db2.gz WGRGZWSUOFUJOA-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001270021841 904280031 /nfs/dbraw/zinc/28/00/31/904280031.db2.gz JHCUILPQNJKSRR-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001271567686 906524013 /nfs/dbraw/zinc/52/40/13/906524013.db2.gz ZXYSTMPQEGTNPO-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCC[NH2+]C[C@@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001568034404 1169124379 /nfs/dbraw/zinc/12/43/79/1169124379.db2.gz QQXTWQXJIIIIBW-MRXNPFEDSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001484382525 915699435 /nfs/dbraw/zinc/69/94/35/915699435.db2.gz IXQOULYIYFFONF-GJZGRUSLSA-N 1 3 281.444 1.588 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCC1 ZINC001484645544 915985120 /nfs/dbraw/zinc/98/51/20/915985120.db2.gz QGRLKGZLLIJOLU-UHFFFAOYSA-N 1 3 277.412 1.123 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001568194587 1169170920 /nfs/dbraw/zinc/17/09/20/1169170920.db2.gz ZYGSLJCIZKVIGZ-GJZGRUSLSA-N 1 3 281.444 1.636 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)C(C)C)CC1 ZINC001485389363 916942541 /nfs/dbraw/zinc/94/25/41/916942541.db2.gz SVRXHWHAPUUDFX-CQSZACIVSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)C(C)C)CC1 ZINC001485389363 916942552 /nfs/dbraw/zinc/94/25/52/916942552.db2.gz SVRXHWHAPUUDFX-CQSZACIVSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C ZINC001486420888 920996049 /nfs/dbraw/zinc/99/60/49/920996049.db2.gz ZYHHLTBMFYLMEX-ZIAGYGMSSA-N 1 3 281.444 1.326 10 30 CDEEHO C=C(C)C[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001486483754 921059671 /nfs/dbraw/zinc/05/96/71/921059671.db2.gz QEECWHWLYJJIFW-UHFFFAOYSA-N 1 3 267.417 1.482 10 30 CDEEHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C ZINC001568337948 1169252649 /nfs/dbraw/zinc/25/26/49/1169252649.db2.gz OJEXSMWQLSJDHT-CABCVRRESA-N 1 3 281.444 1.326 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491189236 936870938 /nfs/dbraw/zinc/87/09/38/936870938.db2.gz ZIZZGWQFKOEGIT-CVEARBPZSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001490608909 927258601 /nfs/dbraw/zinc/25/86/01/927258601.db2.gz HOZKTKRKGTZIIC-HNNXBMFYSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001274955427 931618207 /nfs/dbraw/zinc/61/82/07/931618207.db2.gz LCQKLZFWEAEYGX-MRXNPFEDSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001274955427 931618208 /nfs/dbraw/zinc/61/82/08/931618208.db2.gz LCQKLZFWEAEYGX-MRXNPFEDSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001276678767 940663952 /nfs/dbraw/zinc/66/39/52/940663952.db2.gz RHVJWSNJKREEGR-PHZGNYQRSA-N 1 3 291.439 1.341 10 30 CDEEHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001276678767 940663954 /nfs/dbraw/zinc/66/39/54/940663954.db2.gz RHVJWSNJKREEGR-PHZGNYQRSA-N 1 3 291.439 1.341 10 30 CDEEHO CC#CCN1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001284070979 943068657 /nfs/dbraw/zinc/06/86/57/943068657.db2.gz VTKASSJWSVPCOR-HOCLYGCPSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001265674077 944465537 /nfs/dbraw/zinc/46/55/37/944465537.db2.gz RCBNDJBJMJGWOX-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001281767764 944520402 /nfs/dbraw/zinc/52/04/02/944520402.db2.gz AEJZBEWXZHKQBQ-UONOGXRCSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001278310067 945730869 /nfs/dbraw/zinc/73/08/69/945730869.db2.gz YIZBVTKOIPYASI-JKSUJKDBSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCC[N@@H+](C)CCN(C(=O)CN1CC[C@H](C)C1)C(C)C ZINC001278918776 948227695 /nfs/dbraw/zinc/22/76/95/948227695.db2.gz VZPAPZZKHTZJEW-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[N@H+](C)CCN(C(=O)CN1CC[C@H](C)C1)C(C)C ZINC001278918776 948227705 /nfs/dbraw/zinc/22/77/05/948227705.db2.gz VZPAPZZKHTZJEW-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001278988038 948498880 /nfs/dbraw/zinc/49/88/80/948498880.db2.gz AEQMOUMFTOZFBP-AWEZNQCLSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001480046699 971553347 /nfs/dbraw/zinc/55/33/47/971553347.db2.gz LLTMIOCHYBBBJQ-AWEZNQCLSA-N 1 3 281.444 1.635 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001569099086 1169644957 /nfs/dbraw/zinc/64/49/57/1169644957.db2.gz PTDPHTNNMZVNII-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001480663665 971830302 /nfs/dbraw/zinc/83/03/02/971830302.db2.gz KYJLPJCXUYIJRV-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491849717 955466614 /nfs/dbraw/zinc/46/66/14/955466614.db2.gz KYJLPJCXUYIJRV-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)CN(C)C1CCC1 ZINC001569209964 1169723319 /nfs/dbraw/zinc/72/33/19/1169723319.db2.gz MSHIUFGGFXGKJM-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001329334814 955829018 /nfs/dbraw/zinc/82/90/18/955829018.db2.gz CVAGVLDWALEXFM-HNNXBMFYSA-N 1 3 295.471 1.979 10 30 CDEEHO C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317384282 956242134 /nfs/dbraw/zinc/24/21/34/956242134.db2.gz VEJKUAGOURHAJU-GJZGRUSLSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317384282 956242143 /nfs/dbraw/zinc/24/21/43/956242143.db2.gz VEJKUAGOURHAJU-GJZGRUSLSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)C[N@H+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001317487335 956683971 /nfs/dbraw/zinc/68/39/71/956683971.db2.gz LAONMIWLLIHTKV-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(C)C[N@@H+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001317487335 956683978 /nfs/dbraw/zinc/68/39/78/956683978.db2.gz LAONMIWLLIHTKV-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001318976948 958326071 /nfs/dbraw/zinc/32/60/71/958326071.db2.gz SOECFBCJMXYFTP-BZUAXINKSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001569303434 1169755244 /nfs/dbraw/zinc/75/52/44/1169755244.db2.gz OOVKVUDZWQCOIX-OAHLLOKOSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCN1CCC ZINC001494985747 972364883 /nfs/dbraw/zinc/36/48/83/972364883.db2.gz BMNIUVMFVAVZBI-LSDHHAIUSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001320564799 959244018 /nfs/dbraw/zinc/24/40/18/959244018.db2.gz UMUVDTMQOWDBBA-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001322042520 960066331 /nfs/dbraw/zinc/06/63/31/960066331.db2.gz UHIHURJZKHKDGY-QWHCGFSZSA-N 1 3 255.406 1.387 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001322305599 960176302 /nfs/dbraw/zinc/17/63/02/960176302.db2.gz FPAULZLEQMLUNM-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001322305599 960176307 /nfs/dbraw/zinc/17/63/07/960176307.db2.gz FPAULZLEQMLUNM-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001342646280 963787859 /nfs/dbraw/zinc/78/78/59/963787859.db2.gz RLUUSSMWCFWBGN-XQQFMLRXSA-N 1 3 253.390 1.113 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001355450992 969163206 /nfs/dbraw/zinc/16/32/06/969163206.db2.gz DTHMSSIHSJSWTC-CYBMUJFWSA-N 1 3 265.401 1.318 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001467728546 970095756 /nfs/dbraw/zinc/09/57/56/970095756.db2.gz KVKAGJYJDPBVFP-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001467728546 970095760 /nfs/dbraw/zinc/09/57/60/970095760.db2.gz KVKAGJYJDPBVFP-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001371618043 972567649 /nfs/dbraw/zinc/56/76/49/972567649.db2.gz QXUSDNHHCHAKEZ-TZMCWYRMSA-N 1 3 299.846 1.519 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001499264545 974225511 /nfs/dbraw/zinc/22/55/11/974225511.db2.gz ZFKVUWXMYSKZGV-GFCCVEGCSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001507011395 975294312 /nfs/dbraw/zinc/29/43/12/975294312.db2.gz MLNUPBIGVMYDEN-AWEZNQCLSA-N 1 3 279.428 1.483 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001381971871 977105875 /nfs/dbraw/zinc/10/58/75/977105875.db2.gz JLXYBBSTBLASDR-JHJVBQTASA-N 1 3 287.835 1.564 10 30 CDEEHO CC#CC[NH2+][C@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001675140016 1174079869 /nfs/dbraw/zinc/07/98/69/1174079869.db2.gz LETWIAGIVQRXLD-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCCN1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001675318398 1174101649 /nfs/dbraw/zinc/10/16/49/1174101649.db2.gz ZWMCZOPVFBKXNB-GOEBONIOSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCCN1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001675318398 1174101654 /nfs/dbraw/zinc/10/16/54/1174101654.db2.gz ZWMCZOPVFBKXNB-GOEBONIOSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001676222806 1174193542 /nfs/dbraw/zinc/19/35/42/1174193542.db2.gz ZUDSBZRSGVBNMU-OAHLLOKOSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001571493992 1170453758 /nfs/dbraw/zinc/45/37/58/1170453758.db2.gz YDBQHEPCGTWFLD-UONOGXRCSA-N 1 3 267.417 1.482 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](F)CN(CC)CC)[C@H]1C ZINC001656957440 1171905797 /nfs/dbraw/zinc/90/57/97/1171905797.db2.gz PYXONMZSRMDBBO-KFWWJZLASA-N 1 3 299.434 1.821 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)CN(CC)CC)[C@H]1C ZINC001656957440 1171905806 /nfs/dbraw/zinc/90/58/06/1171905806.db2.gz PYXONMZSRMDBBO-KFWWJZLASA-N 1 3 299.434 1.821 10 30 CDEEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)CCCCC#N ZINC000594437102 342898547 /nfs/dbraw/zinc/89/85/47/342898547.db2.gz IAIREWQEHGMXQE-UONOGXRCSA-N 1 3 280.416 1.340 10 30 CDEEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)CCCCC#N ZINC000594437102 342898548 /nfs/dbraw/zinc/89/85/48/342898548.db2.gz IAIREWQEHGMXQE-UONOGXRCSA-N 1 3 280.416 1.340 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000594438905 342906766 /nfs/dbraw/zinc/90/67/66/342906766.db2.gz QOBPGQUKPQKWSO-ZIAGYGMSSA-N 1 3 278.400 1.094 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000594456886 342911701 /nfs/dbraw/zinc/91/17/01/342911701.db2.gz UTKQHQBPNXINPL-HNNXBMFYSA-N 1 3 292.427 1.388 10 30 CDEEHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000595935503 343201473 /nfs/dbraw/zinc/20/14/73/343201473.db2.gz DVJIEOGTGQNODT-KBPBESRZSA-N 1 3 294.443 1.634 10 30 CDEEHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000595935503 343201475 /nfs/dbraw/zinc/20/14/75/343201475.db2.gz DVJIEOGTGQNODT-KBPBESRZSA-N 1 3 294.443 1.634 10 30 CDEEHO COC[C@H](CCC[NH3+])NCC1(C#N)CCCCC1 ZINC000596649559 343370661 /nfs/dbraw/zinc/37/06/61/343370661.db2.gz CDYCNSBJCQAMMB-ZDUSSCGKSA-N 1 3 253.390 1.804 10 30 CDEEHO C[C@@H](N)[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423454800 374383869 /nfs/dbraw/zinc/38/38/69/374383869.db2.gz ZPHKMOTYZBAAMN-KGLIPLIRSA-N 1 3 286.423 1.848 10 30 CDEEHO C[C@@H]([NH3+])[C@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423454800 374383874 /nfs/dbraw/zinc/38/38/74/374383874.db2.gz ZPHKMOTYZBAAMN-KGLIPLIRSA-N 1 3 286.423 1.848 10 30 CDEEHO C=CCCn1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1 ZINC000655941419 412953124 /nfs/dbraw/zinc/95/31/24/412953124.db2.gz TWJNXEHGQIVXNK-OKILXGFUSA-N 1 3 275.400 1.286 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662856466 1172605883 /nfs/dbraw/zinc/60/58/83/1172605883.db2.gz ONWGHTRSKLKHTJ-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO CN(CCC[NH+](C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000527461113 391020393 /nfs/dbraw/zinc/02/03/93/391020393.db2.gz JZYSSKWTNOMSMU-MRXNPFEDSA-N 1 3 298.390 1.651 10 30 CDEEHO C=CC[C@@]1(C(=O)N2CCC[C@H](N(C)C)C2)CCC[NH2+]1 ZINC000662713787 413367162 /nfs/dbraw/zinc/36/71/62/413367162.db2.gz YTRYVJIFAHWQPT-ZFWWWQNUSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CCC[NH2+]1 ZINC000662754154 413433983 /nfs/dbraw/zinc/43/39/83/413433983.db2.gz FQBPSMRDGABJIY-IVMMDQJWSA-N 1 3 277.412 1.284 10 30 CDEEHO C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001665350035 1172982461 /nfs/dbraw/zinc/98/24/61/1172982461.db2.gz FONLQUDIAIMVGR-UKRRQHHQSA-N 1 3 281.444 1.729 10 30 CDEEHO C[NH+]1CCC(CNC(=O)c2ccc(C#CCN)cc2)CC1 ZINC000044527359 175192867 /nfs/dbraw/zinc/19/28/67/175192867.db2.gz GOEKTXZRCOAWGG-UHFFFAOYSA-N 1 3 285.391 1.068 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC(C)(C)O1 ZINC000249446306 261253168 /nfs/dbraw/zinc/25/31/68/261253168.db2.gz LDLVWLBCEZCYDS-QWHCGFSZSA-N 1 3 282.432 1.333 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001666991257 1173217946 /nfs/dbraw/zinc/21/79/46/1173217946.db2.gz AKTOWSDCSKZCEH-CQSZACIVSA-N 1 3 281.444 1.424 10 30 CDEEHO C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001667410063 1173264349 /nfs/dbraw/zinc/26/43/49/1173264349.db2.gz FEFYVTXSZULFDZ-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001667410063 1173264353 /nfs/dbraw/zinc/26/43/53/1173264353.db2.gz FEFYVTXSZULFDZ-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001673877167 1173891912 /nfs/dbraw/zinc/89/19/12/1173891912.db2.gz DQMAGZAVXHMISB-LSDHHAIUSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001690574545 1175509290 /nfs/dbraw/zinc/50/92/90/1175509290.db2.gz CKYCWCVDJYQWBQ-CHWSQXEVSA-N 1 3 253.390 1.140 10 30 CDEEHO CC(C)CN1CCCC[C@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262476439 330016102 /nfs/dbraw/zinc/01/61/02/330016102.db2.gz QHKZFGCMXDBSFP-GJZGRUSLSA-N 1 3 296.459 1.532 10 30 CDEEHO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262502064 330017961 /nfs/dbraw/zinc/01/79/61/330017961.db2.gz YPUBCVKIRPDYSB-RRFJBIMHSA-N 1 3 278.444 1.921 10 30 CDEEHO C[NH+]=C(NC1CCC1)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000262796622 330032241 /nfs/dbraw/zinc/03/22/41/330032241.db2.gz PSUHTWCFFPQSAG-AGUYFDCRSA-N 1 3 264.417 1.719 10 30 CDEEHO C=CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001699021133 1159206738 /nfs/dbraw/zinc/20/67/38/1159206738.db2.gz RASBNIJXZNEJSP-LSDHHAIUSA-N 1 3 279.428 1.435 10 30 CDEEHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001699021133 1159206746 /nfs/dbraw/zinc/20/67/46/1159206746.db2.gz RASBNIJXZNEJSP-LSDHHAIUSA-N 1 3 279.428 1.435 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1CCC)C(C)C ZINC001715492582 1179682066 /nfs/dbraw/zinc/68/20/66/1179682066.db2.gz QQPLEXUIGPKUSD-LSDHHAIUSA-N 1 3 281.444 1.777 10 30 CDEEHO COCC#CCN(C)[C@@H]1CCC[N@H+](CC#CCOC)CC1 ZINC000677819745 617422262 /nfs/dbraw/zinc/42/22/62/617422262.db2.gz OUFPQXFSZDVWTE-QGZVFWFLSA-N 1 3 292.423 1.072 10 30 CDEEHO COCC#CCN(C)[C@@H]1CCC[N@@H+](CC#CCOC)CC1 ZINC000677819745 617422265 /nfs/dbraw/zinc/42/22/65/617422265.db2.gz OUFPQXFSZDVWTE-QGZVFWFLSA-N 1 3 292.423 1.072 10 30 CDEEHO CC[N@H+](CCNC(=O)[C@@H](N)CCCCC#N)C(C)C ZINC000848412721 617439592 /nfs/dbraw/zinc/43/95/92/617439592.db2.gz AGOUAJFPIJESOA-ZDUSSCGKSA-N 1 3 268.405 1.244 10 30 CDEEHO CC[N@@H+](CCNC(=O)[C@@H](N)CCCCC#N)C(C)C ZINC000848412721 617439594 /nfs/dbraw/zinc/43/95/94/617439594.db2.gz AGOUAJFPIJESOA-ZDUSSCGKSA-N 1 3 268.405 1.244 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CC[C@H](C)F)CC1 ZINC001772517051 1158551362 /nfs/dbraw/zinc/55/13/62/1158551362.db2.gz OBSSDCFJWOYINK-KBPBESRZSA-N 1 3 297.418 1.174 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000877194456 694006421 /nfs/dbraw/zinc/00/64/21/694006421.db2.gz NFBAONNKSGWKKT-GFCCVEGCSA-N 1 3 287.835 1.789 10 30 CDEEHO Cc1cc(CN(C)C)cc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852886448 692227125 /nfs/dbraw/zinc/22/71/25/692227125.db2.gz MPXHJSGMKMNWKS-UHFFFAOYSA-N 1 3 299.418 1.998 10 30 CDEEHO C[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262004624 693150639 /nfs/dbraw/zinc/15/06/39/693150639.db2.gz VIAPSDYRXJXXOX-QLFBSQMISA-N 1 3 296.459 1.449 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000876933008 693186366 /nfs/dbraw/zinc/18/63/66/693186366.db2.gz BTNYEXOFOQWHPC-RYUDHWBXSA-N 1 3 285.819 1.447 10 30 CDEEHO C[NH+]=C(NCc1ccccn1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262025169 693265974 /nfs/dbraw/zinc/26/59/74/693265974.db2.gz ZORCBQAGJJAANJ-DZGCQCFKSA-N 1 3 289.427 1.475 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000876772713 694706769 /nfs/dbraw/zinc/70/67/69/694706769.db2.gz RLMJXNMEWLZCBK-MNOVXSKESA-N 1 3 275.824 1.549 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877125523 694753505 /nfs/dbraw/zinc/75/35/05/694753505.db2.gz OJAAWADRSHFDOK-WDEREUQCSA-N 1 3 259.781 1.186 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691180457 1158947677 /nfs/dbraw/zinc/94/76/77/1158947677.db2.gz CONPBCINYCRWSC-MRXNPFEDSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001691622879 1160721191 /nfs/dbraw/zinc/72/11/91/1160721191.db2.gz CPUQKNJCKTZJMY-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CCC)C(C)C)CC1 ZINC001568469976 1169304000 /nfs/dbraw/zinc/30/40/00/1169304000.db2.gz FOCUMCADQLGBLN-MRXNPFEDSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001698766639 1175923701 /nfs/dbraw/zinc/92/37/01/1175923701.db2.gz PBGQMAPLWNJLLX-HOTGVXAUSA-N 1 3 293.455 1.616 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001699034683 1176052201 /nfs/dbraw/zinc/05/22/01/1176052201.db2.gz POXDQMJNRCIDKF-UONOGXRCSA-N 1 3 290.411 1.711 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001714106427 1178976155 /nfs/dbraw/zinc/97/61/55/1178976155.db2.gz LZAGKPUEWOEEOZ-CJNGLKHVSA-N 1 3 299.434 1.869 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001714384965 1179116107 /nfs/dbraw/zinc/11/61/07/1179116107.db2.gz KCUWZHNLOWQKSP-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[N@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001715500153 1179684970 /nfs/dbraw/zinc/68/49/70/1179684970.db2.gz YDBIOMCZSMFUCZ-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CC[N@@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001715500153 1179684974 /nfs/dbraw/zinc/68/49/74/1179684974.db2.gz YDBIOMCZSMFUCZ-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715521748 1179697665 /nfs/dbraw/zinc/69/76/65/1179697665.db2.gz XLFOHDUTLFGSLM-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001715521748 1179697668 /nfs/dbraw/zinc/69/76/68/1179697668.db2.gz XLFOHDUTLFGSLM-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCC2)CC1 ZINC001716466352 1180225834 /nfs/dbraw/zinc/22/58/34/1180225834.db2.gz XPPMZLRPEJZSCD-AWEZNQCLSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001716497612 1180253877 /nfs/dbraw/zinc/25/38/77/1180253877.db2.gz MQZHAZHMCQRIQI-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001716497612 1180253878 /nfs/dbraw/zinc/25/38/78/1180253878.db2.gz MQZHAZHMCQRIQI-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001716661673 1180346901 /nfs/dbraw/zinc/34/69/01/1180346901.db2.gz RICPOSRWCIVCME-HNNXBMFYSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001716901663 1180459082 /nfs/dbraw/zinc/45/90/82/1180459082.db2.gz NDZMOYBCZVLKFZ-GDBMZVCRSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001716901663 1180459085 /nfs/dbraw/zinc/45/90/85/1180459085.db2.gz NDZMOYBCZVLKFZ-GDBMZVCRSA-N 1 3 279.428 1.342 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001716989511 1180494388 /nfs/dbraw/zinc/49/43/88/1180494388.db2.gz SUEZWSVFBAAPBM-QWHCGFSZSA-N 1 3 276.384 1.212 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001717373723 1180635024 /nfs/dbraw/zinc/63/50/24/1180635024.db2.gz ORDKYEQISYECPQ-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001717373723 1180635026 /nfs/dbraw/zinc/63/50/26/1180635026.db2.gz ORDKYEQISYECPQ-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=C(C)CN1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001717561799 1180741921 /nfs/dbraw/zinc/74/19/21/1180741921.db2.gz SVAGBHNHQBYDLP-CYBMUJFWSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)CN1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001717561799 1180741925 /nfs/dbraw/zinc/74/19/25/1180741925.db2.gz SVAGBHNHQBYDLP-CYBMUJFWSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001717745146 1180823600 /nfs/dbraw/zinc/82/36/00/1180823600.db2.gz PRRLZYFARLPECK-LSDHHAIUSA-N 1 3 279.428 1.319 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001722915898 1181493910 /nfs/dbraw/zinc/49/39/10/1181493910.db2.gz JDUWIOBGNNHFHD-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001722915898 1181493914 /nfs/dbraw/zinc/49/39/14/1181493914.db2.gz JDUWIOBGNNHFHD-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001723875029 1181614264 /nfs/dbraw/zinc/61/42/64/1181614264.db2.gz KNNHSLNFKRIEPY-CABCVRRESA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001724221665 1181655971 /nfs/dbraw/zinc/65/59/71/1181655971.db2.gz AWRSKIMAFCKJHZ-QGZVFWFLSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001725042105 1181833224 /nfs/dbraw/zinc/83/32/24/1181833224.db2.gz QINSJVCXRKTQAX-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001725042105 1181833229 /nfs/dbraw/zinc/83/32/29/1181833229.db2.gz QINSJVCXRKTQAX-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001725269015 1181945721 /nfs/dbraw/zinc/94/57/21/1181945721.db2.gz KTRYZKLDSZFWBW-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001725269015 1181945726 /nfs/dbraw/zinc/94/57/26/1181945726.db2.gz KTRYZKLDSZFWBW-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001725322743 1181962745 /nfs/dbraw/zinc/96/27/45/1181962745.db2.gz WQGGFHMIAZRTFY-QKDCVEJESA-N 1 3 279.428 1.197 10 30 CDEEHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001725322743 1181962751 /nfs/dbraw/zinc/96/27/51/1181962751.db2.gz WQGGFHMIAZRTFY-QKDCVEJESA-N 1 3 279.428 1.197 10 30 CDEEHO C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001725390846 1181985504 /nfs/dbraw/zinc/98/55/04/1181985504.db2.gz XMUXRPQWRRZNJI-JKSUJKDBSA-N 1 3 293.455 1.757 10 30 CDEEHO C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001731420952 1182373681 /nfs/dbraw/zinc/37/36/81/1182373681.db2.gz AUVQMWKGIVEJOY-HOTGVXAUSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001731420952 1182373691 /nfs/dbraw/zinc/37/36/91/1182373691.db2.gz AUVQMWKGIVEJOY-HOTGVXAUSA-N 1 3 291.439 1.132 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001731634895 1182493357 /nfs/dbraw/zinc/49/33/57/1182493357.db2.gz SAHUKIITNSGNDV-NEPJUHHUSA-N 1 3 278.400 1.710 10 30 CDEEHO C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001732542138 1183001280 /nfs/dbraw/zinc/00/12/80/1183001280.db2.gz DDCAOVSTJZHYRQ-GXTWGEPZSA-N 1 3 276.384 1.355 10 30 CDEEHO N#Cc1ccc2c(c1)C[C@H](N[C@@H]1C[C@@H]([NH3+])C13CCC3)C2 ZINC000925728635 723351528 /nfs/dbraw/zinc/35/15/28/723351528.db2.gz MIMFWWDTJVJPBP-BZUAXINKSA-N 1 3 267.376 1.885 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000876729799 723546739 /nfs/dbraw/zinc/54/67/39/723546739.db2.gz XQHOLAAYOMNMQM-CMPLNLGQSA-N 1 3 273.808 1.304 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000876510970 723678405 /nfs/dbraw/zinc/67/84/05/723678405.db2.gz ZGJDBCAKKAXGAV-DCAQKATOSA-N 1 3 259.781 1.185 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000876731337 1165902414 /nfs/dbraw/zinc/90/24/14/1165902414.db2.gz IMZRRCDAMQAJTJ-YPMHNXCESA-N 1 3 287.835 1.695 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000876807061 1165920693 /nfs/dbraw/zinc/92/06/93/1165920693.db2.gz XNUVYTRMXDDUSP-CYBMUJFWSA-N 1 3 281.787 1.444 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001566858663 1168446672 /nfs/dbraw/zinc/44/66/72/1168446672.db2.gz HLAHJEBBMHDVDF-TXEJJXNPSA-N 1 3 262.357 1.074 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001272458444 913148153 /nfs/dbraw/zinc/14/81/53/913148153.db2.gz YHJWRUJAMGCMAQ-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001266963657 896454238 /nfs/dbraw/zinc/45/42/38/896454238.db2.gz BXDHMNRHTQXFCY-HOCLYGCPSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCN[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001266963657 896454246 /nfs/dbraw/zinc/45/42/46/896454246.db2.gz BXDHMNRHTQXFCY-HOCLYGCPSA-N 1 3 291.439 1.511 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001267046052 896630311 /nfs/dbraw/zinc/63/03/11/896630311.db2.gz WXJMQVITADGRCP-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001267174395 897005316 /nfs/dbraw/zinc/00/53/16/897005316.db2.gz XTQDJNAZVVAXPB-HIFRSBDPSA-N 1 3 279.428 1.483 10 30 CDEEHO C#CCC[NH2+]C[C@](C)(NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001267858044 899883999 /nfs/dbraw/zinc/88/39/99/899883999.db2.gz LIFASBJXIGHAHV-YOEHRIQHSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001267964048 900097345 /nfs/dbraw/zinc/09/73/45/900097345.db2.gz ZPONZGRIMHIACQ-LSDHHAIUSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001481340042 900453170 /nfs/dbraw/zinc/45/31/70/900453170.db2.gz OFVCQBBXBVIZDB-DZGCQCFKSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001268214737 901584205 /nfs/dbraw/zinc/58/42/05/901584205.db2.gz ZFJIVEZYPWQZDV-CQSZACIVSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001268900622 903226144 /nfs/dbraw/zinc/22/61/44/903226144.db2.gz LGSANECVDYMKEZ-ZBFHGGJFSA-N 1 3 295.471 1.975 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001269484151 903852499 /nfs/dbraw/zinc/85/24/99/903852499.db2.gz CEVIMPJITWHYBE-CYBMUJFWSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558164 903928769 /nfs/dbraw/zinc/92/87/69/903928769.db2.gz WZAURMSNMJWJCM-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCCN1CC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001482245852 904148031 /nfs/dbraw/zinc/14/80/31/904148031.db2.gz RIGLAXSBNPUKSY-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CCCN1CC2(C1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001482245852 904148042 /nfs/dbraw/zinc/14/80/42/904148042.db2.gz RIGLAXSBNPUKSY-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CC[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001269935128 904219788 /nfs/dbraw/zinc/21/97/88/904219788.db2.gz JOCBJONMLPIKDJ-INIZCTEOSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001269980843 904248973 /nfs/dbraw/zinc/24/89/73/904248973.db2.gz ICGXEFZNLQGHJM-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001482500193 906679392 /nfs/dbraw/zinc/67/93/92/906679392.db2.gz STXNXGPUUBHXOU-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001271759045 906779233 /nfs/dbraw/zinc/77/92/33/906779233.db2.gz LFAOLQLRWSZMRL-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001272033620 907569273 /nfs/dbraw/zinc/56/92/73/907569273.db2.gz RUECCGWHECZIKZ-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCC[N@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001272033620 907569277 /nfs/dbraw/zinc/56/92/77/907569277.db2.gz RUECCGWHECZIKZ-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001272043738 907685109 /nfs/dbraw/zinc/68/51/09/907685109.db2.gz NIIFBHXURMPARD-CVEARBPZSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001272043738 907685114 /nfs/dbraw/zinc/68/51/14/907685114.db2.gz NIIFBHXURMPARD-CVEARBPZSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001482642578 908106961 /nfs/dbraw/zinc/10/69/61/908106961.db2.gz MIUAKWQUPFQILL-CVEARBPZSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCNC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483158148 909880581 /nfs/dbraw/zinc/88/05/81/909880581.db2.gz GQFQTMAIAKDYDJ-GDBMZVCRSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCNC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001483158148 909880595 /nfs/dbraw/zinc/88/05/95/909880595.db2.gz GQFQTMAIAKDYDJ-GDBMZVCRSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001279169611 917219598 /nfs/dbraw/zinc/21/95/98/917219598.db2.gz HLGDYGCWCPDZAY-CVEARBPZSA-N 1 3 291.439 1.036 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001139870013 936654814 /nfs/dbraw/zinc/65/48/14/936654814.db2.gz WERIHNYUMLINGW-HUUCEWRRSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486178408 920781613 /nfs/dbraw/zinc/78/16/13/920781613.db2.gz CRMHQLWWZXBZCU-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001486481354 921059387 /nfs/dbraw/zinc/05/93/87/921059387.db2.gz KVDRMOQSQJTMDG-YMAMQOFZSA-N 1 3 281.444 1.728 10 30 CDEEHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001276388748 936729436 /nfs/dbraw/zinc/72/94/36/936729436.db2.gz KYCNAOIVCIJAKQ-ZBFHGGJFSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001649445261 1169258054 /nfs/dbraw/zinc/25/80/54/1169258054.db2.gz JPHMCEAJHWNWIJ-LSDHHAIUSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001489244420 926834217 /nfs/dbraw/zinc/83/42/17/926834217.db2.gz URVXKPDFYKXMTR-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)CCC)C1 ZINC001489239484 926852223 /nfs/dbraw/zinc/85/22/23/926852223.db2.gz FAZPNPDFQNPSPR-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001490692229 927302815 /nfs/dbraw/zinc/30/28/15/927302815.db2.gz CQUKOTDOJYSREK-HNNXBMFYSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001524268627 970832616 /nfs/dbraw/zinc/83/26/16/970832616.db2.gz XPXVZKNPMXRIJG-WDEREUQCSA-N 1 3 259.781 1.057 10 30 CDEEHO C=CCC[NH2+]CCN(CC)C(=O)CN1CC[C@H](C)C1 ZINC001568775523 1169471350 /nfs/dbraw/zinc/47/13/50/1169471350.db2.gz ATROFMSQZQUMCY-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCN1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001279630606 942399608 /nfs/dbraw/zinc/39/96/08/942399608.db2.gz HFOKBYRLKVYABQ-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001282334483 942689861 /nfs/dbraw/zinc/68/98/61/942689861.db2.gz AMAASWXNCKVHHO-GJZGRUSLSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001282399493 942707144 /nfs/dbraw/zinc/70/71/44/942707144.db2.gz SPHBXOAYYQESPB-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001282399493 942707147 /nfs/dbraw/zinc/70/71/47/942707147.db2.gz SPHBXOAYYQESPB-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CCC)C1 ZINC001284247395 943130333 /nfs/dbraw/zinc/13/03/33/943130333.db2.gz YZVOGPLVIYFADE-GJZGRUSLSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001265688055 944469825 /nfs/dbraw/zinc/46/98/25/944469825.db2.gz LPEDNQLQTPQXBA-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266116342 944690770 /nfs/dbraw/zinc/69/07/70/944690770.db2.gz JQCSQSLXMGXKAI-JKSUJKDBSA-N 1 3 293.455 1.519 10 30 CDEEHO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266116342 944690775 /nfs/dbraw/zinc/69/07/75/944690775.db2.gz JQCSQSLXMGXKAI-JKSUJKDBSA-N 1 3 293.455 1.519 10 30 CDEEHO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CCC)C2 ZINC001279236386 944786637 /nfs/dbraw/zinc/78/66/37/944786637.db2.gz DZFRCSWWFKTSEQ-MUJYYYPQSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CCC)C2 ZINC001279236386 944786644 /nfs/dbraw/zinc/78/66/44/944786644.db2.gz DZFRCSWWFKTSEQ-MUJYYYPQSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCC[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)C ZINC001279027984 948614926 /nfs/dbraw/zinc/61/49/26/948614926.db2.gz KVLXTFPIYQHUMC-AWEZNQCLSA-N 1 3 292.427 1.957 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480157680 971606994 /nfs/dbraw/zinc/60/69/94/971606994.db2.gz BAVOVFDWSFLDRW-HDJSIYSDSA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001324832854 953600590 /nfs/dbraw/zinc/60/05/90/953600590.db2.gz JZGQGHVSKFFENN-MRXNPFEDSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCC1 ZINC001326897878 954607295 /nfs/dbraw/zinc/60/72/95/954607295.db2.gz CVKVTSJVYCKBID-HNNXBMFYSA-N 1 3 291.439 1.513 10 30 CDEEHO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001316660928 954923542 /nfs/dbraw/zinc/92/35/42/954923542.db2.gz WUEHCURDKMSTBH-LSDHHAIUSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCN1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001328281414 955251546 /nfs/dbraw/zinc/25/15/46/955251546.db2.gz CPKMQWFPSPPFDF-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[NH2+]CC1CC(NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001328875176 955529641 /nfs/dbraw/zinc/52/96/41/955529641.db2.gz BIHKRVDKEFWSOZ-NRXISQOPSA-N 1 3 281.444 1.633 10 30 CDEEHO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001331327345 956972291 /nfs/dbraw/zinc/97/22/91/956972291.db2.gz YWZUDWHHMFRZTP-HNNXBMFYSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCN[C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001331576999 957148669 /nfs/dbraw/zinc/14/86/69/957148669.db2.gz ZCLNFIBTWKUWTD-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001331576999 957148676 /nfs/dbraw/zinc/14/86/76/957148676.db2.gz ZCLNFIBTWKUWTD-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001317091876 957264812 /nfs/dbraw/zinc/26/48/12/957264812.db2.gz MFWUNWHZBULHNV-JOCQHMNTSA-N 1 3 276.384 1.464 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317148918 957307540 /nfs/dbraw/zinc/30/75/40/957307540.db2.gz FYFYTOBIQWGELO-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001317220983 957351303 /nfs/dbraw/zinc/35/13/03/957351303.db2.gz QPHHJPPFZSKRQE-GPANFISMSA-N 1 3 293.455 1.613 10 30 CDEEHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001332422969 957558945 /nfs/dbraw/zinc/55/89/45/957558945.db2.gz KFKBXXDIRKTLOO-HUUCEWRRSA-N 1 3 293.455 1.423 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317831754 957683369 /nfs/dbraw/zinc/68/33/69/957683369.db2.gz WNFXZQVOGFIBJM-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317831754 957683374 /nfs/dbraw/zinc/68/33/74/957683374.db2.gz WNFXZQVOGFIBJM-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001318127844 957934323 /nfs/dbraw/zinc/93/43/23/957934323.db2.gz CVRBLRCMMBPFNW-UHFFFAOYSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CC[NH+]1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001332972399 957984865 /nfs/dbraw/zinc/98/48/65/957984865.db2.gz KYMJPXKCFFPXGU-CQSZACIVSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001333131515 958093178 /nfs/dbraw/zinc/09/31/78/958093178.db2.gz WFCWFPGUHXLXEN-UHFFFAOYSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001318976949 958326421 /nfs/dbraw/zinc/32/64/21/958326421.db2.gz SOECFBCJMXYFTP-JYJNAYRXSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001318978645 958328117 /nfs/dbraw/zinc/32/81/17/958328117.db2.gz GNTPRTAEGBOVQY-KKUMJFAQSA-N 1 3 281.444 1.776 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001319926908 958794042 /nfs/dbraw/zinc/79/40/42/958794042.db2.gz DVMXEKIVAKOWMN-CQSZACIVSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CCC[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001320548172 959233520 /nfs/dbraw/zinc/23/35/20/959233520.db2.gz JPANIHGVKFFCJP-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CC[NH2+]CCN(CC)C(=O)c1cccc(CN(C)C)c1 ZINC001320929588 959462738 /nfs/dbraw/zinc/46/27/38/959462738.db2.gz SLKBXGCIFTXNLE-UHFFFAOYSA-N 1 3 287.407 1.433 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418640112 960831262 /nfs/dbraw/zinc/83/12/62/960831262.db2.gz PQHUNQQJQGROHM-TXEJJXNPSA-N 1 3 273.808 1.175 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCC1 ZINC001502017716 974676060 /nfs/dbraw/zinc/67/60/60/974676060.db2.gz SNQPEYJKMMKOEL-LBPRGKRZSA-N 1 3 253.390 1.141 10 30 CDEEHO C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001420079307 962453965 /nfs/dbraw/zinc/45/39/65/962453965.db2.gz KQSBYSSQIKKYCU-JSGCOSHPSA-N 1 3 299.846 1.565 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001342449799 963743530 /nfs/dbraw/zinc/74/35/30/963743530.db2.gz UMFZKBQGNFCVDE-JHJVBQTASA-N 1 3 253.390 1.113 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)N1[C@H](C)CN[C@@H](C)[C@@H]1C ZINC001342556277 963764472 /nfs/dbraw/zinc/76/44/72/963764472.db2.gz RRPIBPZVSATWFD-RCWTZXSCSA-N 1 3 259.781 1.054 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001343015951 963885656 /nfs/dbraw/zinc/88/56/56/963885656.db2.gz XOMUIKUBIIGXFO-DYEKYZERSA-N 1 3 251.374 1.010 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001344549306 964351314 /nfs/dbraw/zinc/35/13/14/964351314.db2.gz ZAYBRQRBMMIGHU-OLZOCXBDSA-N 1 3 253.390 1.271 10 30 CDEEHO C=CCN1CCC(NC(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC001357397485 969582870 /nfs/dbraw/zinc/58/28/70/969582870.db2.gz RHSIEXQCJYWOBN-UHFFFAOYSA-N 1 3 263.385 1.038 10 30 CDEEHO CCNC(NCCN1[C@H](C)CCC[C@H]1C)=[NH+]CC ZINC000849214562 969915974 /nfs/dbraw/zinc/91/59/74/969915974.db2.gz QRLBTMDLZTVYTP-CHWSQXEVSA-N 1 3 254.422 1.824 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001497910786 973574151 /nfs/dbraw/zinc/57/41/51/973574151.db2.gz QAAKXGNFHKJEPA-CYBMUJFWSA-N 1 3 269.433 1.635 10 30 CDEEHO C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001506960939 975276847 /nfs/dbraw/zinc/27/68/47/975276847.db2.gz GJQHBXLVXITRKW-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001506960939 975276854 /nfs/dbraw/zinc/27/68/54/975276854.db2.gz GJQHBXLVXITRKW-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001389960600 976064710 /nfs/dbraw/zinc/06/47/10/976064710.db2.gz PQYZICKKCWMZKB-TXEJJXNPSA-N 1 3 285.819 1.460 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001674411323 1173939991 /nfs/dbraw/zinc/93/99/91/1173939991.db2.gz XYOBMRAANQVEAN-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001570609134 1170210616 /nfs/dbraw/zinc/21/06/16/1170210616.db2.gz XSRVMKNKRPIVQN-NWDGAFQWSA-N 1 3 253.390 1.140 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001570715920 1170250814 /nfs/dbraw/zinc/25/08/14/1170250814.db2.gz JVPWCWUYZNOYEB-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001570715920 1170250820 /nfs/dbraw/zinc/25/08/20/1170250820.db2.gz JVPWCWUYZNOYEB-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)CC1(C#N)CC1 ZINC000599300072 343998681 /nfs/dbraw/zinc/99/86/81/343998681.db2.gz MGOSJEXGNRECJE-GJZGRUSLSA-N 1 3 279.428 1.847 10 30 CDEEHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)CC1(C#N)CC1 ZINC000599300072 343998683 /nfs/dbraw/zinc/99/86/83/343998683.db2.gz MGOSJEXGNRECJE-GJZGRUSLSA-N 1 3 279.428 1.847 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000594450046 342909631 /nfs/dbraw/zinc/90/96/31/342909631.db2.gz RKLMUWLHRLTGGY-CQSZACIVSA-N 1 3 274.368 1.173 10 30 CDEEHO N#Cc1ccc(N2CCC([NH2+]CC34CC(C3)CN4)CC2)cc1 ZINC000596653495 343371763 /nfs/dbraw/zinc/37/17/63/343371763.db2.gz LDYKZDGDZJYQHZ-UHFFFAOYSA-N 1 3 296.418 1.869 10 30 CDEEHO Cc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1C#N ZINC000600707628 349876198 /nfs/dbraw/zinc/87/61/98/349876198.db2.gz CRBYECASJRAUOI-UHFFFAOYSA-N 1 3 259.353 1.152 10 30 CDEEHO C[C@H]([NH2+]CC1(N)CCOCC1)c1cccc(C#N)c1 ZINC000600712799 349876920 /nfs/dbraw/zinc/87/69/20/349876920.db2.gz ZEAQLIVSKURJGI-LBPRGKRZSA-N 1 3 259.353 1.717 10 30 CDEEHO C[C@@H]1[NH2+]CC[C@H]1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000600714042 349877137 /nfs/dbraw/zinc/87/71/37/349877137.db2.gz OMVHVEAEIORUDF-KBXCAEBGSA-N 1 3 298.434 1.863 10 30 CDEEHO C=CC[C@@]1(C(=O)NCCN(C)CCCC)CCC[NH2+]1 ZINC000662701811 413348432 /nfs/dbraw/zinc/34/84/32/413348432.db2.gz SLLNQALCZWDPMP-HNNXBMFYSA-N 1 3 267.417 1.533 10 30 CDEEHO C=CC[C@]1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CCC[NH2+]1 ZINC000662718677 413374460 /nfs/dbraw/zinc/37/44/60/413374460.db2.gz RJKNAVSIGHLSLS-NVXWUHKLSA-N 1 3 291.439 1.772 10 30 CDEEHO C[NH+](C)C1CCN(Cc2cc(C#CCN)cs2)CC1 ZINC000043688918 175095797 /nfs/dbraw/zinc/09/57/97/175095797.db2.gz IIFAYEKYEYTWDO-UHFFFAOYSA-N 1 3 277.437 1.584 10 30 CDEEHO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C#CCN)c2)C1 ZINC000044560317 175204491 /nfs/dbraw/zinc/20/44/91/175204491.db2.gz IIAMSBGXTOQVFP-HNNXBMFYSA-N 1 3 285.391 1.068 10 30 CDEEHO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C#CCN)c2)C1 ZINC000044560317 175204492 /nfs/dbraw/zinc/20/44/92/175204492.db2.gz IIAMSBGXTOQVFP-HNNXBMFYSA-N 1 3 285.391 1.068 10 30 CDEEHO CC#CCN1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001701007229 1177237560 /nfs/dbraw/zinc/23/75/60/1177237560.db2.gz UOJWZVJJGSUKBA-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483016377 1160666255 /nfs/dbraw/zinc/66/62/55/1160666255.db2.gz COOXAOKSHLWNRV-SQRWCISFSA-N 1 3 289.423 1.289 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001483016377 1160666261 /nfs/dbraw/zinc/66/62/61/1160666261.db2.gz COOXAOKSHLWNRV-SQRWCISFSA-N 1 3 289.423 1.289 10 30 CDEEHO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(O)CCN(C)CC1 ZINC000921768997 633282334 /nfs/dbraw/zinc/28/23/34/633282334.db2.gz FODVEWXXFAUUDG-UHFFFAOYSA-N 1 3 287.407 1.721 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000876768109 695184073 /nfs/dbraw/zinc/18/40/73/695184073.db2.gz DMJQRLUJBKLDET-KBPBESRZSA-N 1 3 299.846 1.933 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000876763457 695303629 /nfs/dbraw/zinc/30/36/29/695303629.db2.gz OGRWMEQTYRUNHA-OLZOCXBDSA-N 1 3 287.835 1.550 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000876763457 695303633 /nfs/dbraw/zinc/30/36/33/695303633.db2.gz OGRWMEQTYRUNHA-OLZOCXBDSA-N 1 3 287.835 1.550 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000876901102 695434891 /nfs/dbraw/zinc/43/48/91/695434891.db2.gz ZEXUAXMWFIRNLC-AVGNSLFASA-N 1 3 285.819 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000876901102 695434892 /nfs/dbraw/zinc/43/48/92/695434892.db2.gz ZEXUAXMWFIRNLC-AVGNSLFASA-N 1 3 285.819 1.399 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@H]2Cc3ccccc3CN2)CCC[NH2+]1 ZINC000877339463 695436712 /nfs/dbraw/zinc/43/67/12/695436712.db2.gz ANPKQNBTVFGRCP-AEFFLSMTSA-N 1 3 299.418 1.515 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000876749661 695856737 /nfs/dbraw/zinc/85/67/37/695856737.db2.gz CBCLAQPYBYXHCX-XQQFMLRXSA-N 1 3 287.835 1.835 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000876749661 695856738 /nfs/dbraw/zinc/85/67/38/695856738.db2.gz CBCLAQPYBYXHCX-XQQFMLRXSA-N 1 3 287.835 1.835 10 30 CDEEHO C#C[C@@H](NC1CC[NH+](CCC)CC1)C1CCOCC1 ZINC000827564754 695887848 /nfs/dbraw/zinc/88/78/48/695887848.db2.gz FZEKNVOBZWHNQY-MRXNPFEDSA-N 1 3 264.413 1.879 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000876771594 696055243 /nfs/dbraw/zinc/05/52/43/696055243.db2.gz UELZZJJUSCNCCX-QWHCGFSZSA-N 1 3 285.819 1.401 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000876884201 696080628 /nfs/dbraw/zinc/08/06/28/696080628.db2.gz OHCUNWOMTHTSKS-ADEWGFFLSA-N 1 3 273.808 1.255 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000876884201 696080633 /nfs/dbraw/zinc/08/06/33/696080633.db2.gz OHCUNWOMTHTSKS-ADEWGFFLSA-N 1 3 273.808 1.255 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC001646166795 1167675087 /nfs/dbraw/zinc/67/50/87/1167675087.db2.gz BFVUATSIXFKWEO-CYBMUJFWSA-N 1 3 299.846 1.933 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001569854710 1170018257 /nfs/dbraw/zinc/01/82/57/1170018257.db2.gz FCKXJIAMKPYMMY-LSDHHAIUSA-N 1 3 279.428 1.034 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001698769308 1175925267 /nfs/dbraw/zinc/92/52/67/1175925267.db2.gz YLRBZNUUIMHUIS-UONOGXRCSA-N 1 3 267.417 1.246 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCCC1 ZINC001698803240 1175939410 /nfs/dbraw/zinc/93/94/10/1175939410.db2.gz LOLZFGJNEZDMNH-HUUCEWRRSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699310483 1176212126 /nfs/dbraw/zinc/21/21/26/1176212126.db2.gz YKQHDIKAHBURNC-MWWKQMNYSA-N 1 3 295.402 1.094 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001699310483 1176212139 /nfs/dbraw/zinc/21/21/39/1176212139.db2.gz YKQHDIKAHBURNC-MWWKQMNYSA-N 1 3 295.402 1.094 10 30 CDEEHO C#CCNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001699387764 1176346681 /nfs/dbraw/zinc/34/66/81/1176346681.db2.gz HEIHFNQRVBCMGJ-CABCVRRESA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001700822083 1177150940 /nfs/dbraw/zinc/15/09/40/1177150940.db2.gz IRWSQPLTIMXUKK-HUUCEWRRSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001713478191 1178594966 /nfs/dbraw/zinc/59/49/66/1178594966.db2.gz RXJOSELXRATVEE-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001713478191 1178594970 /nfs/dbraw/zinc/59/49/70/1178594970.db2.gz RXJOSELXRATVEE-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001714043002 1178944139 /nfs/dbraw/zinc/94/41/39/1178944139.db2.gz KWTVFHCVNNKNFB-LSDHHAIUSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001714043002 1178944145 /nfs/dbraw/zinc/94/41/45/1178944145.db2.gz KWTVFHCVNNKNFB-LSDHHAIUSA-N 1 3 279.428 1.342 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001714214956 1179023067 /nfs/dbraw/zinc/02/30/67/1179023067.db2.gz UWJWWZDVCAJCGI-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001716724791 1180383291 /nfs/dbraw/zinc/38/32/91/1180383291.db2.gz NLCBMLQHLHMPMZ-KRWDZBQOSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CCNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001717152749 1180551473 /nfs/dbraw/zinc/55/14/73/1180551473.db2.gz HKVKATPPLFSDBW-AWEZNQCLSA-N 1 3 277.412 1.123 10 30 CDEEHO C#CCNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001717152749 1180551478 /nfs/dbraw/zinc/55/14/78/1180551478.db2.gz HKVKATPPLFSDBW-AWEZNQCLSA-N 1 3 277.412 1.123 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001723572286 1181588197 /nfs/dbraw/zinc/58/81/97/1181588197.db2.gz WNEJVFQWZWQHSV-HNNXBMFYSA-N 1 3 291.439 1.513 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001725059754 1181838735 /nfs/dbraw/zinc/83/87/35/1181838735.db2.gz SGEDGHBKOQWEFU-MRXNPFEDSA-N 1 3 293.455 1.971 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001725059754 1181838743 /nfs/dbraw/zinc/83/87/43/1181838743.db2.gz SGEDGHBKOQWEFU-MRXNPFEDSA-N 1 3 293.455 1.971 10 30 CDEEHO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)CCC)CC1 ZINC001731386611 1182349289 /nfs/dbraw/zinc/34/92/89/1182349289.db2.gz VYRDMHFPHCFGAQ-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CCC)CC1 ZINC001731385967 1182349603 /nfs/dbraw/zinc/34/96/03/1182349603.db2.gz PNMRSSKKDCURMR-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001732184106 1182838093 /nfs/dbraw/zinc/83/80/93/1182838093.db2.gz DDGGQVQBHVADRZ-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001732184106 1182838102 /nfs/dbraw/zinc/83/81/02/1182838102.db2.gz DDGGQVQBHVADRZ-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732436509 1182965473 /nfs/dbraw/zinc/96/54/73/1182965473.db2.gz JQYVFFBAUSKSJS-BBRMVZONSA-N 1 3 299.434 1.821 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001732501699 1182990634 /nfs/dbraw/zinc/99/06/34/1182990634.db2.gz VBDJNVFUYZWOPV-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001732533459 1182998779 /nfs/dbraw/zinc/99/87/79/1182998779.db2.gz SDKCESBQSSZXAY-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001733171193 1183315663 /nfs/dbraw/zinc/31/56/63/1183315663.db2.gz BHVZFXLHTWQCHI-OAHLLOKOSA-N 1 3 279.428 1.531 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001734118466 1183664695 /nfs/dbraw/zinc/66/46/95/1183664695.db2.gz YCDXYBZKTFUJQI-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001734345778 1183741788 /nfs/dbraw/zinc/74/17/88/1183741788.db2.gz WQMRZANYSKWZPJ-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000876967323 723713547 /nfs/dbraw/zinc/71/35/47/723713547.db2.gz FBUVVPIEUZGDBS-TZMCWYRMSA-N 1 3 299.846 1.980 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000876967323 723713548 /nfs/dbraw/zinc/71/35/48/723713548.db2.gz FBUVVPIEUZGDBS-TZMCWYRMSA-N 1 3 299.846 1.980 10 30 CDEEHO C=CC[C@@H](C)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000878247890 723740463 /nfs/dbraw/zinc/74/04/63/723740463.db2.gz LAHFUWRUQRUPOG-CABCVRRESA-N 1 3 251.418 1.663 10 30 CDEEHO C=CC[C@@H](C)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000878247890 723740464 /nfs/dbraw/zinc/74/04/64/723740464.db2.gz LAHFUWRUQRUPOG-CABCVRRESA-N 1 3 251.418 1.663 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000876806183 723884584 /nfs/dbraw/zinc/88/45/84/723884584.db2.gz MGORZYZARDEQHE-NSHDSACASA-N 1 3 259.781 1.009 10 30 CDEEHO C=CCNC(=O)CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156688 724045605 /nfs/dbraw/zinc/04/56/05/724045605.db2.gz CJHUCFZRRIOULS-GDBMZVCRSA-N 1 3 293.455 1.908 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000877192652 724094384 /nfs/dbraw/zinc/09/43/84/724094384.db2.gz RKXFJCUCHLXWPV-CYBMUJFWSA-N 1 3 299.846 1.791 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000876774600 725242786 /nfs/dbraw/zinc/24/27/86/725242786.db2.gz AWZZBSPAOFLNGD-KBPBESRZSA-N 1 3 299.846 1.647 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000876774600 725242789 /nfs/dbraw/zinc/24/27/89/725242789.db2.gz AWZZBSPAOFLNGD-KBPBESRZSA-N 1 3 299.846 1.647 10 30 CDEEHO C=C(Cl)CNC(N[C@@H]1CN(C(C)C)C[C@@H]1C)=[NH+]C ZINC000262019996 725373937 /nfs/dbraw/zinc/37/39/37/725373937.db2.gz YPAOYXDTRYLGRA-CMPLNLGQSA-N 1 3 272.824 1.633 10 30 CDEEHO C=CC[C@H]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000625702356 725413202 /nfs/dbraw/zinc/41/32/02/725413202.db2.gz XVJZYJSPSLAQDN-HNNXBMFYSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000876787057 725443644 /nfs/dbraw/zinc/44/36/44/725443644.db2.gz FMOSHEJQKFFZQF-OLZOCXBDSA-N 1 3 285.819 1.447 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000876725796 725652027 /nfs/dbraw/zinc/65/20/27/725652027.db2.gz XRYNULZSKNWSNH-GFCCVEGCSA-N 1 3 273.808 1.257 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000876712690 726008292 /nfs/dbraw/zinc/00/82/92/726008292.db2.gz SWCRECRGJJUVDY-GFCCVEGCSA-N 1 3 273.808 1.449 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001566590728 1168349633 /nfs/dbraw/zinc/34/96/33/1168349633.db2.gz UVMWZNPENQCMNH-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001566590728 1168349639 /nfs/dbraw/zinc/34/96/39/1168349639.db2.gz UVMWZNPENQCMNH-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001566596861 1168351297 /nfs/dbraw/zinc/35/12/97/1168351297.db2.gz UVMWZNPENQCMNH-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001566596861 1168351305 /nfs/dbraw/zinc/35/13/05/1168351305.db2.gz UVMWZNPENQCMNH-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001647383995 1168632986 /nfs/dbraw/zinc/63/29/86/1168632986.db2.gz LDKMMQLIHHBFBK-TZMCWYRMSA-N 1 3 285.819 1.449 10 30 CDEEHO CC#CCN[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266984265 896497369 /nfs/dbraw/zinc/49/73/69/896497369.db2.gz WMACMNHDVVDWIU-AWEZNQCLSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267068493 896680108 /nfs/dbraw/zinc/68/01/08/896680108.db2.gz YAWVHNBHAJGEFN-UONOGXRCSA-N 1 3 267.417 1.197 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001268004828 900257932 /nfs/dbraw/zinc/25/79/32/900257932.db2.gz IHKLKGBKGCBYLR-HOTGVXAUSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268254891 901679600 /nfs/dbraw/zinc/67/96/00/901679600.db2.gz GMEHUDHSRUGGGD-CABCVRRESA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001268911630 903234928 /nfs/dbraw/zinc/23/49/28/903234928.db2.gz QCXFEHCPGUMYJZ-MRXNPFEDSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482887333 908460054 /nfs/dbraw/zinc/46/00/54/908460054.db2.gz AEJQUYKJUVUTAE-OLZOCXBDSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482887333 908460059 /nfs/dbraw/zinc/46/00/59/908460059.db2.gz AEJQUYKJUVUTAE-OLZOCXBDSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCN(C)C(=O)CN(C)C(C)C ZINC001484769175 916163185 /nfs/dbraw/zinc/16/31/85/916163185.db2.gz PNNDYEWYVPNLGX-UHFFFAOYSA-N 1 3 269.433 1.683 10 30 CDEEHO C=C(C)C[N@H+](C)CCCN(C)C(=O)CN(C)C(C)C ZINC001484769175 916163194 /nfs/dbraw/zinc/16/31/94/916163194.db2.gz PNNDYEWYVPNLGX-UHFFFAOYSA-N 1 3 269.433 1.683 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001484941515 916299225 /nfs/dbraw/zinc/29/92/25/916299225.db2.gz IOXRSHHMXBAZHM-CABCVRRESA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001484941515 916299243 /nfs/dbraw/zinc/29/92/43/916299243.db2.gz IOXRSHHMXBAZHM-CABCVRRESA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001485727672 917238102 /nfs/dbraw/zinc/23/81/02/917238102.db2.gz YOAILVWGZHPSSH-KBPBESRZSA-N 1 3 267.417 1.080 10 30 CDEEHO C#CCCN1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001568251633 1169197923 /nfs/dbraw/zinc/19/79/23/1169197923.db2.gz WGGKPGVSIHLKRC-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001568300478 1169231847 /nfs/dbraw/zinc/23/18/47/1169231847.db2.gz RQQIECWUHVJPAX-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001486398714 920964656 /nfs/dbraw/zinc/96/46/56/920964656.db2.gz LTNFTLLPGXWXBK-CYBMUJFWSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C ZINC001486420887 920995225 /nfs/dbraw/zinc/99/52/25/920995225.db2.gz ZYHHLTBMFYLMEX-UONOGXRCSA-N 1 3 281.444 1.326 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001491478789 936922471 /nfs/dbraw/zinc/92/24/71/936922471.db2.gz SQIHABKQLFRUDJ-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO CC#CCN[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001491539492 936931389 /nfs/dbraw/zinc/93/13/89/936931389.db2.gz SDWDCNZWOIKJNF-OAHLLOKOSA-N 1 3 293.455 1.759 10 30 CDEEHO CC#CCN[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001491539492 936931392 /nfs/dbraw/zinc/93/13/92/936931392.db2.gz SDWDCNZWOIKJNF-OAHLLOKOSA-N 1 3 293.455 1.759 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001488806166 926699399 /nfs/dbraw/zinc/69/93/99/926699399.db2.gz YSPIXIRDSUFOPE-FPCVCCKLSA-N 1 3 293.455 1.920 10 30 CDEEHO CC#CC[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001283238037 942864585 /nfs/dbraw/zinc/86/45/85/942864585.db2.gz GBIWERWWANCGST-LSDHHAIUSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001265497461 944408739 /nfs/dbraw/zinc/40/87/39/944408739.db2.gz PLSCHEHQRGLOQL-JYJNAYRXSA-N 1 3 291.439 1.509 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001266234684 944776650 /nfs/dbraw/zinc/77/66/50/944776650.db2.gz JBFBHKFJHFNNOQ-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001266234684 944776653 /nfs/dbraw/zinc/77/66/53/944776653.db2.gz JBFBHKFJHFNNOQ-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001479371219 971314529 /nfs/dbraw/zinc/31/45/29/971314529.db2.gz JYANFZYJKAJCJC-SHTZXODSSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001278420981 947845892 /nfs/dbraw/zinc/84/58/92/947845892.db2.gz QUWXINNKDUMZHU-CQSZACIVSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001278422494 947875290 /nfs/dbraw/zinc/87/52/90/947875290.db2.gz DUJFANJUILAXRG-HUUCEWRRSA-N 1 3 297.443 1.108 10 30 CDEEHO C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001328050587 955174245 /nfs/dbraw/zinc/17/42/45/955174245.db2.gz OSHWJQVHEKGKIY-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001328859323 955516871 /nfs/dbraw/zinc/51/68/71/955516871.db2.gz PIXHLNWSLBUGMC-GPANFISMSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001493869598 972130903 /nfs/dbraw/zinc/13/09/03/972130903.db2.gz FMOADZRCUFGNPV-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001493869598 972130904 /nfs/dbraw/zinc/13/09/04/972130904.db2.gz FMOADZRCUFGNPV-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO N#C[C@@H]1CC[C@@H](N2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001422429552 955997014 /nfs/dbraw/zinc/99/70/14/955997014.db2.gz ARDBIVUIPOBISF-HZPDHXFCSA-N 1 3 291.439 1.991 10 30 CDEEHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001424501191 957254928 /nfs/dbraw/zinc/25/49/28/957254928.db2.gz XOARSMPNEOSDFS-UHFFFAOYSA-N 1 3 299.846 1.805 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001318356195 958056686 /nfs/dbraw/zinc/05/66/86/958056686.db2.gz VQCDMURXOQMAKC-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001318356195 958056692 /nfs/dbraw/zinc/05/66/92/958056692.db2.gz VQCDMURXOQMAKC-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCNCc1ccc(CNC(=O)CC[N@@H+](C)CC)cc1 ZINC001319006073 958334841 /nfs/dbraw/zinc/33/48/41/958334841.db2.gz ISEIQWJPHUYXOW-UHFFFAOYSA-N 1 3 287.407 1.367 10 30 CDEEHO C#CCNCc1ccc(CNC(=O)CC[N@H+](C)CC)cc1 ZINC001319006073 958334856 /nfs/dbraw/zinc/33/48/56/958334856.db2.gz ISEIQWJPHUYXOW-UHFFFAOYSA-N 1 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CDEEHO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CN(C)C(C)C ZINC001663123737 1172636750 /nfs/dbraw/zinc/63/67/50/1172636750.db2.gz JXHVQBJRFZIJDM-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[NH+]1CCC(NC(=O)[C@H](CCC)N(C)C)CC1 ZINC000179229130 391768263 /nfs/dbraw/zinc/76/82/63/391768263.db2.gz FEJZUAZECNJEOA-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[C@@]1(C(=O)N[C@@H](CC(C)C)CN(C)C)CCC[NH2+]1 ZINC000662684823 413310606 /nfs/dbraw/zinc/31/06/06/413310606.db2.gz JOYRHHJAGPYYHL-HOCLYGCPSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659450758 423784307 /nfs/dbraw/zinc/78/43/07/423784307.db2.gz VUNGYYNHKCOWLQ-OAHLLOKOSA-N 1 3 296.459 1.700 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001667302046 1173251830 /nfs/dbraw/zinc/25/18/30/1173251830.db2.gz ONBNWDODXRJMMT-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CCN1CCC[C@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001671912392 1173723127 /nfs/dbraw/zinc/72/31/27/1173723127.db2.gz MSJXFYDEUYBUNM-QGZVFWFLSA-N 1 3 293.455 1.570 10 30 CDEEHO CC#CCN1CCC[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001671912392 1173723132 /nfs/dbraw/zinc/72/31/32/1173723132.db2.gz MSJXFYDEUYBUNM-QGZVFWFLSA-N 1 3 293.455 1.570 10 30 CDEEHO CCN1CCC[C@@H]1CN(C)C(NCC1(O)CCCC1)=[NH+]C ZINC000262818553 330033894 /nfs/dbraw/zinc/03/38/94/330033894.db2.gz XHZUGLLEZIFMCN-CQSZACIVSA-N 1 3 296.459 1.283 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001691499722 1159849432 /nfs/dbraw/zinc/84/94/32/1159849432.db2.gz AIGVGVONQJCGOQ-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001482568853 1160410888 /nfs/dbraw/zinc/41/08/88/1160410888.db2.gz WYORRXJFCWYSSP-CYBMUJFWSA-N 1 3 264.373 1.177 10 30 CDEEHO C#CC[NH2+][C@H](CC)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001715076553 1179542064 /nfs/dbraw/zinc/54/20/64/1179542064.db2.gz SZUIVDVIUFTWLS-LSDHHAIUSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001732359324 1182924552 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CC#CCN(CCC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001266573212 1158632158 /nfs/dbraw/zinc/63/21/58/1158632158.db2.gz LZKDIOVGZLPSDX-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](CCNC(=O)CN(C)CCC)C1 ZINC001691922826 1159156256 /nfs/dbraw/zinc/15/62/56/1159156256.db2.gz SWASSFNOPUUDMW-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)CN(C)CCC)C1 ZINC001691922826 1159156259 /nfs/dbraw/zinc/15/62/59/1159156259.db2.gz SWASSFNOPUUDMW-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001482102235 1159981049 /nfs/dbraw/zinc/98/10/49/1159981049.db2.gz RJYPKORGJUWEEZ-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1C ZINC001263275043 1167442509 /nfs/dbraw/zinc/44/25/09/1167442509.db2.gz UESFOAOYEHSZDR-GHMZBOCLSA-N 1 3 259.781 1.057 10 30 CDEEHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001566973077 1168485309 /nfs/dbraw/zinc/48/53/09/1168485309.db2.gz 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C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H](CC)N(C)C ZINC001698996471 1176025992 /nfs/dbraw/zinc/02/59/92/1176025992.db2.gz FEIWSOKIUSOFLW-ZDUSSCGKSA-N 1 3 255.406 1.293 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H](CC)N(C)C ZINC001698996471 1176025982 /nfs/dbraw/zinc/02/59/82/1176025982.db2.gz FEIWSOKIUSOFLW-ZDUSSCGKSA-N 1 3 255.406 1.293 10 30 CDEEHO C#CCN1CCC(C(=O)N(C)CC[N@H+](C)CCCF)CC1 ZINC001699010587 1176038238 /nfs/dbraw/zinc/03/82/38/1176038238.db2.gz DFTLQFZZZKWBFO-UHFFFAOYSA-N 1 3 297.418 1.081 10 30 CDEEHO C#CCN1CCC(C(=O)N(C)CC[N@@H+](C)CCCF)CC1 ZINC001699010587 1176038246 /nfs/dbraw/zinc/03/82/46/1176038246.db2.gz DFTLQFZZZKWBFO-UHFFFAOYSA-N 1 3 297.418 1.081 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001700321031 1176848530 /nfs/dbraw/zinc/84/85/30/1176848530.db2.gz VRBTWWXNKROTFP-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001700362932 1176875315 /nfs/dbraw/zinc/87/53/15/1176875315.db2.gz FEIPOZGFFXFILC-INIZCTEOSA-N 1 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C#CC[NH2+]C[C@H](CCCC)NC(=O)C(C)(C)N1CCCC1 ZINC001725233799 1181929581 /nfs/dbraw/zinc/92/95/81/1181929581.db2.gz YFAZFJWJGYFYGA-HNNXBMFYSA-N 1 3 293.455 1.759 10 30 CDEEHO CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001725418251 1181994547 /nfs/dbraw/zinc/99/45/47/1181994547.db2.gz RTROVAZPMPBWKU-KGLIPLIRSA-N 1 3 267.417 1.224 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001731686115 1182517775 /nfs/dbraw/zinc/51/77/75/1182517775.db2.gz PPEGKDRZNHHXJN-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001733901207 1183563303 /nfs/dbraw/zinc/56/33/03/1183563303.db2.gz NGKCJBZNSFVSEI-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001733901207 1183563304 /nfs/dbraw/zinc/56/33/04/1183563304.db2.gz NGKCJBZNSFVSEI-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001733984742 1183600770 /nfs/dbraw/zinc/60/07/70/1183600770.db2.gz 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727260358 /nfs/dbraw/zinc/26/03/58/727260358.db2.gz KPXIHKYSZZTNHS-NEPJUHHUSA-N 1 3 289.851 1.939 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000876509782 727400724 /nfs/dbraw/zinc/40/07/24/727400724.db2.gz KDSXENCBXJKUGL-GFCCVEGCSA-N 1 3 267.760 1.814 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000876858173 728049812 /nfs/dbraw/zinc/04/98/12/728049812.db2.gz ZXVUFDQRIZVWDS-LLVKDONJSA-N 1 3 271.792 1.058 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000876735794 728301368 /nfs/dbraw/zinc/30/13/68/728301368.db2.gz PVLLQDCNSBLHBA-ZDUSSCGKSA-N 1 3 287.835 1.695 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001635757970 1166617361 /nfs/dbraw/zinc/61/73/61/1166617361.db2.gz SGNGTKFRCXLHFR-UHFFFAOYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001266492707 895046549 /nfs/dbraw/zinc/04/65/49/895046549.db2.gz VCWPLUWCFTVWHM-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)CC[N@H+](C)CCC 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C=CCC[N@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001267302981 897531122 /nfs/dbraw/zinc/53/11/22/897531122.db2.gz JGXBRFKQVCTEMB-LSDHHAIUSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001267302981 897531136 /nfs/dbraw/zinc/53/11/36/897531136.db2.gz JGXBRFKQVCTEMB-LSDHHAIUSA-N 1 3 279.428 1.342 10 30 CDEEHO C#CC[NH2+]Cc1ccc(CNC(=O)[C@H](CC)N(C)C)cc1 ZINC001267939650 900010890 /nfs/dbraw/zinc/01/08/90/900010890.db2.gz QYHOWUVJVRXRNG-INIZCTEOSA-N 1 3 287.407 1.366 10 30 CDEEHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(C)C ZINC001268106410 901305487 /nfs/dbraw/zinc/30/54/87/901305487.db2.gz UEWWKYFSELLORE-HZPDHXFCSA-N 1 3 293.455 1.613 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001268163614 901459473 /nfs/dbraw/zinc/45/94/73/901459473.db2.gz YYSAMNVVVWMNJI-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001268734415 903054370 /nfs/dbraw/zinc/05/43/70/903054370.db2.gz WGRGZWSUOFUJOA-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001268734415 903054382 /nfs/dbraw/zinc/05/43/82/903054382.db2.gz WGRGZWSUOFUJOA-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001269422445 903796119 /nfs/dbraw/zinc/79/61/19/903796119.db2.gz BJYNTZCDWNWUJX-AWEZNQCLSA-N 1 3 277.412 1.123 10 30 CDEEHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001482434025 905394203 /nfs/dbraw/zinc/39/42/03/905394203.db2.gz NDMZEXIMIOIGQK-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001483483861 911176869 /nfs/dbraw/zinc/17/68/69/911176869.db2.gz ANLPYURLWUJJTE-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001483848607 915110047 /nfs/dbraw/zinc/11/00/47/915110047.db2.gz WHICZWOCUWWJRZ-INIZCTEOSA-N 1 3 279.428 1.439 10 30 CDEEHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001483848607 915110055 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C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001568630488 1169407069 /nfs/dbraw/zinc/40/70/69/1169407069.db2.gz DSMBTPVCCWAZKR-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001265095257 944226560 /nfs/dbraw/zinc/22/65/60/944226560.db2.gz SCDBHFRSMHZGHF-LSDHHAIUSA-N 1 3 279.428 1.319 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001480231827 971640659 /nfs/dbraw/zinc/64/06/59/971640659.db2.gz LDUVLLOOUHODKU-HZSPNIEDSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493042567 971930797 /nfs/dbraw/zinc/93/07/97/971930797.db2.gz GJHSQSQZRASGHU-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001327213438 954774583 /nfs/dbraw/zinc/77/45/83/954774583.db2.gz REFQXVNBCQSTJE-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001327213438 954774597 /nfs/dbraw/zinc/77/45/97/954774597.db2.gz REFQXVNBCQSTJE-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001491894199 955495153 /nfs/dbraw/zinc/49/51/53/955495153.db2.gz NAFAMSCZQRAVLA-UONOGXRCSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001330708715 956581475 /nfs/dbraw/zinc/58/14/75/956581475.db2.gz OLQYRVBHGXNTJD-HDJSIYSDSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCC[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001494204838 972198881 /nfs/dbraw/zinc/19/88/81/972198881.db2.gz GPUWHUDWDAKCDR-UHFFFAOYSA-N 1 3 288.395 1.146 10 30 CDEEHO C#CCC[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001494204838 972198886 /nfs/dbraw/zinc/19/88/86/972198886.db2.gz GPUWHUDWDAKCDR-UHFFFAOYSA-N 1 3 288.395 1.146 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001317192263 957334235 /nfs/dbraw/zinc/33/42/35/957334235.db2.gz JSUVCBAXANLIPE-MRXNPFEDSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317381835 957441919 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C=CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001569307725 1169757581 /nfs/dbraw/zinc/75/75/81/1169757581.db2.gz NUZDOWUFUGCEIW-KBPBESRZSA-N 1 3 267.417 1.243 10 30 CDEEHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001324099000 961160716 /nfs/dbraw/zinc/16/07/16/961160716.db2.gz UUPSADUWNCOZAN-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001341716580 963520267 /nfs/dbraw/zinc/52/02/67/963520267.db2.gz IVAYWPYTLIDJNT-MCIONIFRSA-N 1 3 267.417 1.611 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001341716580 963520272 /nfs/dbraw/zinc/52/02/72/963520272.db2.gz IVAYWPYTLIDJNT-MCIONIFRSA-N 1 3 267.417 1.611 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001342366477 963722265 /nfs/dbraw/zinc/72/22/65/963722265.db2.gz YNRLXPTZSKZQTD-ZDUSSCGKSA-N 1 3 267.417 1.790 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001569565907 1169926300 /nfs/dbraw/zinc/92/63/00/1169926300.db2.gz 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N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000594438818 342906154 /nfs/dbraw/zinc/90/61/54/342906154.db2.gz MBBLTEUTCSOOIQ-ILXRZTDVSA-N 1 3 292.427 1.388 10 30 CDEEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](N)CCCCC#N ZINC000594439246 342906668 /nfs/dbraw/zinc/90/66/68/342906668.db2.gz UMHGTAMISBUNAV-MCIONIFRSA-N 1 3 278.400 1.093 10 30 CDEEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](N)CCCCC#N ZINC000594439246 342906669 /nfs/dbraw/zinc/90/66/69/342906669.db2.gz UMHGTAMISBUNAV-MCIONIFRSA-N 1 3 278.400 1.093 10 30 CDEEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](N)CCCCC#N ZINC000594439249 342906779 /nfs/dbraw/zinc/90/67/79/342906779.db2.gz UMHGTAMISBUNAV-RDBSUJKOSA-N 1 3 278.400 1.093 10 30 CDEEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](N)CCCCC#N ZINC000594439249 342906780 /nfs/dbraw/zinc/90/67/80/342906780.db2.gz UMHGTAMISBUNAV-RDBSUJKOSA-N 1 3 278.400 1.093 10 30 CDEEHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)CCCCC#N ZINC000594441586 342907408 /nfs/dbraw/zinc/90/74/08/342907408.db2.gz SWBRDSATEQSUEW-HUUCEWRRSA-N 1 3 294.443 1.778 10 30 CDEEHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)CCCCC#N ZINC000594441586 342907409 /nfs/dbraw/zinc/90/74/09/342907409.db2.gz SWBRDSATEQSUEW-HUUCEWRRSA-N 1 3 294.443 1.778 10 30 CDEEHO CC(C)(CCC[NH3+])NC(=O)[C@@H](N)CCCCC#N ZINC000594443210 342908145 /nfs/dbraw/zinc/90/81/45/342908145.db2.gz ARTKSNAAFLHMRK-NSHDSACASA-N 1 3 254.378 1.031 10 30 CDEEHO CN(CC#CC[N@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352222866 529822976 /nfs/dbraw/zinc/82/29/76/529822976.db2.gz SQHITWDXDICZFZ-HZPDHXFCSA-N 1 3 280.412 1.211 10 30 CDEEHO CN(CC#CC[N@@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352222866 529822978 /nfs/dbraw/zinc/82/29/78/529822978.db2.gz SQHITWDXDICZFZ-HZPDHXFCSA-N 1 3 280.412 1.211 10 30 CDEEHO C[NH2+]CCOCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000600710209 349876960 /nfs/dbraw/zinc/87/69/60/349876960.db2.gz MPJUJBMFAAADSX-HNNXBMFYSA-N 1 3 259.353 1.371 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001661235694 1172355818 /nfs/dbraw/zinc/35/58/18/1172355818.db2.gz MWOZUMTZZGSCSS-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001661235694 1172355825 /nfs/dbraw/zinc/35/58/25/1172355825.db2.gz MWOZUMTZZGSCSS-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(CC#N)cc1 ZINC000568632232 371228687 /nfs/dbraw/zinc/22/86/87/371228687.db2.gz MUXMRJRHODLRRJ-VBNZEHGJSA-N 1 3 273.380 1.595 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001662349526 1172533739 /nfs/dbraw/zinc/53/37/39/1172533739.db2.gz DBYLMVZUUDHUHL-LSDHHAIUSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001668215208 1173382882 /nfs/dbraw/zinc/38/28/82/1173382882.db2.gz YFSBCOKQKUWHEF-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO CC#CCN1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001671900594 1173721125 /nfs/dbraw/zinc/72/11/25/1173721125.db2.gz CYKFJNWHMSARGT-MRXNPFEDSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)CCC)C1 ZINC001699877265 1176664800 /nfs/dbraw/zinc/66/48/00/1176664800.db2.gz UNYZYYDPCMLIAC-MRXNPFEDSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)CCC)C1 ZINC001699877265 1176664804 /nfs/dbraw/zinc/66/48/04/1176664804.db2.gz UNYZYYDPCMLIAC-MRXNPFEDSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001690290148 1175426951 /nfs/dbraw/zinc/42/69/51/1175426951.db2.gz VSBAIVXCZBDWKC-HDJSIYSDSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000900827065 623535443 /nfs/dbraw/zinc/53/54/43/623535443.db2.gz DYKCHISAIMBVPM-CYBMUJFWSA-N 1 3 253.390 1.047 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001691789903 1159419808 /nfs/dbraw/zinc/41/98/08/1159419808.db2.gz IELYVBHDMZRLQA-JYJNAYRXSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001567155122 1168600568 /nfs/dbraw/zinc/60/05/68/1168600568.db2.gz MEYBAJHJAXAUEM-GJZGRUSLSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CCN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001570182062 1170104727 /nfs/dbraw/zinc/10/47/27/1170104727.db2.gz WABAVKIMHYSTPC-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)CC[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001673986300 1173904519 /nfs/dbraw/zinc/90/45/19/1173904519.db2.gz XAXRUXOOXITWCW-UHFFFAOYSA-N 1 3 290.411 1.889 10 30 CDEEHO CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001675832350 1174152501 /nfs/dbraw/zinc/15/25/01/1174152501.db2.gz KILOHRRGNQAOKB-JYJNAYRXSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001698767332 1175925099 /nfs/dbraw/zinc/92/50/99/1175925099.db2.gz FJCTVBQDRFBFPE-CYBMUJFWSA-N 1 3 269.433 1.492 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001699650997 1176548563 /nfs/dbraw/zinc/54/85/63/1176548563.db2.gz INNHISFSYNCDQM-CYBMUJFWSA-N 1 3 265.401 1.284 10 30 CDEEHO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001700015531 1176720000 /nfs/dbraw/zinc/72/00/00/1176720000.db2.gz DPFXIKIVALURMB-HUUCEWRRSA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001700015531 1176720007 /nfs/dbraw/zinc/72/00/07/1176720007.db2.gz DPFXIKIVALURMB-HUUCEWRRSA-N 1 3 277.412 1.027 10 30 CDEEHO CC#CC[NH2+][C@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001700920839 1177196146 /nfs/dbraw/zinc/19/61/46/1177196146.db2.gz BSEHDDGJHARWLT-GJZGRUSLSA-N 1 3 291.439 1.178 10 30 CDEEHO CC#CCNCc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001714320784 1179084353 /nfs/dbraw/zinc/08/43/53/1179084353.db2.gz FDCLTMGDGDPUJW-UHFFFAOYSA-N 1 3 287.407 1.367 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001715479394 1179677750 /nfs/dbraw/zinc/67/77/50/1179677750.db2.gz VBGGNHBVPQSSFC-UKRRQHHQSA-N 1 3 290.411 1.745 10 30 CDEEHO C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001716873898 1180449207 /nfs/dbraw/zinc/44/92/07/1180449207.db2.gz CIBBVSSDIGRDNW-QGZVFWFLSA-N 1 3 293.455 1.426 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001717751351 1180828865 /nfs/dbraw/zinc/82/88/65/1180828865.db2.gz UODXZLWDFQRMOT-UONOGXRCSA-N 1 3 267.417 1.032 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001722906445 1181489678 /nfs/dbraw/zinc/48/96/78/1181489678.db2.gz OOVWNUHXTSZAKU-CYBMUJFWSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001722906445 1181489682 /nfs/dbraw/zinc/48/96/82/1181489682.db2.gz OOVWNUHXTSZAKU-CYBMUJFWSA-N 1 3 255.406 1.341 10 30 CDEEHO C#CCC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001724889674 1181788615 /nfs/dbraw/zinc/78/86/15/1181788615.db2.gz NCSINJFIZMQSQL-UHFFFAOYSA-N 1 3 288.395 1.336 10 30 CDEEHO C#CCN1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001725002904 1181821277 /nfs/dbraw/zinc/82/12/77/1181821277.db2.gz MQVMWRFHWKLDIW-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001725002904 1181821282 /nfs/dbraw/zinc/82/12/82/1181821282.db2.gz MQVMWRFHWKLDIW-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001725373206 1181978887 /nfs/dbraw/zinc/97/88/87/1181978887.db2.gz VATXDYPFXWOFDR-KLHDSHLOSA-N 1 3 291.439 1.367 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001731853153 1182628087 /nfs/dbraw/zinc/62/80/87/1182628087.db2.gz SWUMVGZNFFZFID-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001731853153 1182628092 /nfs/dbraw/zinc/62/80/92/1182628092.db2.gz SWUMVGZNFFZFID-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001732025690 1182728710 /nfs/dbraw/zinc/72/87/10/1182728710.db2.gz FSWFUVGCDZFVGL-CVEARBPZSA-N 1 3 287.407 1.571 10 30 CDEEHO C=CCN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001732025690 1182728717 /nfs/dbraw/zinc/72/87/17/1182728717.db2.gz FSWFUVGCDZFVGL-CVEARBPZSA-N 1 3 287.407 1.571 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001733326743 1183398530 /nfs/dbraw/zinc/39/85/30/1183398530.db2.gz HYCNCSQPDKHQRC-KBPBESRZSA-N 1 3 290.411 1.888 10 30 CDEEHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001733464496 1183440530 /nfs/dbraw/zinc/44/05/30/1183440530.db2.gz ROMXIBFKVWSMRX-RDJZCZTQSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001733464496 1183440531 /nfs/dbraw/zinc/44/05/31/1183440531.db2.gz ROMXIBFKVWSMRX-RDJZCZTQSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001733984744 1183602206 /nfs/dbraw/zinc/60/22/06/1183602206.db2.gz MNMYYEZKLDUSKM-KGLIPLIRSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001734559813 1183826010 /nfs/dbraw/zinc/82/60/10/1183826010.db2.gz AMOTZHVAQSHASX-CQSZACIVSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCOCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925633433 728983935 /nfs/dbraw/zinc/98/39/35/728983935.db2.gz WJCMGCOCVXLJFD-CABCVRRESA-N 1 3 252.402 1.947 10 30 CDEEHO C=CC[C@@H](C)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000878247892 728524968 /nfs/dbraw/zinc/52/49/68/728524968.db2.gz LAHFUWRUQRUPOG-HUUCEWRRSA-N 1 3 251.418 1.663 10 30 CDEEHO C=CC[C@@H](C)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000878247892 728524971 /nfs/dbraw/zinc/52/49/71/728524971.db2.gz LAHFUWRUQRUPOG-HUUCEWRRSA-N 1 3 251.418 1.663 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000876859870 729096233 /nfs/dbraw/zinc/09/62/33/729096233.db2.gz MRUIQSNKMGREFZ-MJBXVCDLSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](CCC)CC1 ZINC000876712155 729489428 /nfs/dbraw/zinc/48/94/28/729489428.db2.gz MPPYHNASFMKZCN-GFCCVEGCSA-N 1 3 273.808 1.447 10 30 CDEEHO C=CC[C@H]1CCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000879032046 729995653 /nfs/dbraw/zinc/99/56/53/729995653.db2.gz IYKHMZUIJKXTBU-ZDUSSCGKSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001272342542 912893764 /nfs/dbraw/zinc/89/37/64/912893764.db2.gz HSDWFDGLVFPMQA-HUUCEWRRSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001567232214 1168632101 /nfs/dbraw/zinc/63/21/01/1168632101.db2.gz ULPIHEUMXXMGJD-CVEARBPZSA-N 1 3 293.455 1.757 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CN(C)CCC ZINC001267178645 897020522 /nfs/dbraw/zinc/02/05/22/897020522.db2.gz DDKTYEYQHMIAHQ-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN(C)CCC ZINC001267178645 897020536 /nfs/dbraw/zinc/02/05/36/897020536.db2.gz DDKTYEYQHMIAHQ-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001567611527 1168887395 /nfs/dbraw/zinc/88/73/95/1168887395.db2.gz KSQXQHADYAKJLU-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CC[N@H+](CC)CCNC(=O)Cc1nc[nH]c1C ZINC001481013418 898496017 /nfs/dbraw/zinc/49/60/17/898496017.db2.gz DUVYXSHLICNYGW-UHFFFAOYSA-N 1 3 278.400 1.665 10 30 CDEEHO C=C(C)CC[N@@H+](CC)CCNC(=O)Cc1nc[nH]c1C ZINC001481013418 898496020 /nfs/dbraw/zinc/49/60/20/898496020.db2.gz DUVYXSHLICNYGW-UHFFFAOYSA-N 1 3 278.400 1.665 10 30 CDEEHO C=CC[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001567652227 1168904390 /nfs/dbraw/zinc/90/43/90/1168904390.db2.gz QUKSNTODKOWABV-UHFFFAOYSA-N 1 3 278.400 1.663 10 30 CDEEHO C=CC[N@H+](CCCNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001567652227 1168904404 /nfs/dbraw/zinc/90/44/04/1168904404.db2.gz QUKSNTODKOWABV-UHFFFAOYSA-N 1 3 278.400 1.663 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001268226541 901602362 /nfs/dbraw/zinc/60/23/62/901602362.db2.gz BGHCGNMEVXIPOJ-AWEZNQCLSA-N 1 3 267.417 1.080 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001273566535 921133767 /nfs/dbraw/zinc/13/37/67/921133767.db2.gz VZSSWGLKISHIRH-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001271610694 906543346 /nfs/dbraw/zinc/54/33/46/906543346.db2.gz YYLNOZROBHRCBS-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CC[N@@H+](C)CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001484759136 916145628 /nfs/dbraw/zinc/14/56/28/916145628.db2.gz RRDGETDTOIYWEU-UHFFFAOYSA-N 1 3 281.444 1.378 10 30 CDEEHO C#CC[N@H+](C)CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001484759136 916145637 /nfs/dbraw/zinc/14/56/37/916145637.db2.gz RRDGETDTOIYWEU-UHFFFAOYSA-N 1 3 281.444 1.378 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001485260717 916706146 /nfs/dbraw/zinc/70/61/46/916706146.db2.gz OWOOYGNXXNTTDY-CQSZACIVSA-N 1 3 279.428 1.036 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001568300479 1169230586 /nfs/dbraw/zinc/23/05/86/1169230586.db2.gz RQQIECWUHVJPAX-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486133535 920736647 /nfs/dbraw/zinc/73/66/47/920736647.db2.gz DIGLIFBVABYXLV-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001486477271 921051601 /nfs/dbraw/zinc/05/16/01/921051601.db2.gz IZJQUJYTELYVAV-UHFFFAOYSA-N 1 3 276.384 1.497 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001490708238 927294227 /nfs/dbraw/zinc/29/42/27/927294227.db2.gz AQUZCKKLWSBVNY-UKRRQHHQSA-N 1 3 279.428 1.389 10 30 CDEEHO C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001276588563 940391827 /nfs/dbraw/zinc/39/18/27/940391827.db2.gz JJUGTRKHKGSXEC-CVEARBPZSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCN1CC=C(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001279582454 942396061 /nfs/dbraw/zinc/39/60/61/942396061.db2.gz OVBVNVOCYXVBPT-MRXNPFEDSA-N 1 3 291.439 1.795 10 30 CDEEHO C=CCN1CC=C(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001279582454 942396065 /nfs/dbraw/zinc/39/60/65/942396065.db2.gz OVBVNVOCYXVBPT-MRXNPFEDSA-N 1 3 291.439 1.795 10 30 CDEEHO C=C(C)C[N@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001279637293 942398524 /nfs/dbraw/zinc/39/85/24/942398524.db2.gz VWCAKHLLTQQWCO-HNNXBMFYSA-N 1 3 291.439 1.653 10 30 CDEEHO C=C(C)C[N@@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001279637293 942398529 /nfs/dbraw/zinc/39/85/29/942398529.db2.gz VWCAKHLLTQQWCO-HNNXBMFYSA-N 1 3 291.439 1.653 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001280457911 942446339 /nfs/dbraw/zinc/44/63/39/942446339.db2.gz DDJJQYXFEUEBAJ-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001281404533 942572516 /nfs/dbraw/zinc/57/25/16/942572516.db2.gz BIESVOZQPGVBHO-HOCLYGCPSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001281475113 942580864 /nfs/dbraw/zinc/58/08/64/942580864.db2.gz GLEOWRVFNRZBET-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001283681631 942966919 /nfs/dbraw/zinc/96/69/19/942966919.db2.gz YCSNTLJESQQVHS-CQSZACIVSA-N 1 3 281.444 1.424 10 30 CDEEHO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001284025994 943052642 /nfs/dbraw/zinc/05/26/42/943052642.db2.gz NTIGUFRRJSMLKL-CHWSQXEVSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001265358865 944358271 /nfs/dbraw/zinc/35/82/71/944358271.db2.gz RRCYOVHARKZJHZ-CQSZACIVSA-N 1 3 265.401 1.141 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001265456490 944394719 /nfs/dbraw/zinc/39/47/19/944394719.db2.gz VUMMFMBURFADKE-KBPBESRZSA-N 1 3 267.417 1.339 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001265613809 944447479 /nfs/dbraw/zinc/44/74/79/944447479.db2.gz WRCHXYMFBNUHRY-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[NH+]1CCC(C)(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001278057213 944655407 /nfs/dbraw/zinc/65/54/07/944655407.db2.gz HYTXJCGNXXBQAK-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[NH2+][C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001266149542 944716039 /nfs/dbraw/zinc/71/60/39/944716039.db2.gz YNJDLKPABWBTRK-GFCCVEGCSA-N 1 3 253.390 1.141 10 30 CDEEHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001278503280 948990860 /nfs/dbraw/zinc/99/08/60/948990860.db2.gz AHMQGWPKVJFWMA-QGZVFWFLSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001480624746 971814165 /nfs/dbraw/zinc/81/41/65/971814165.db2.gz PKSGLDPOIZJXHM-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCN(CC)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001493036187 971930079 /nfs/dbraw/zinc/93/00/79/971930079.db2.gz WSCYKVFQPAGIIL-UHFFFAOYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001325527367 953948723 /nfs/dbraw/zinc/94/87/23/953948723.db2.gz RQUXHEXEZOIWLD-UONOGXRCSA-N 1 3 279.428 1.341 10 30 CDEEHO C=CC[NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001328413396 955289100 /nfs/dbraw/zinc/28/91/00/955289100.db2.gz NDJUCJLUMSTDQN-ZDUSSCGKSA-N 1 3 269.433 1.635 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001491684530 955358059 /nfs/dbraw/zinc/35/80/59/955358059.db2.gz WIUDJSDHJBNZTB-ZDUSSCGKSA-N 1 3 255.406 1.387 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001328621405 955380262 /nfs/dbraw/zinc/38/02/62/955380262.db2.gz IVBLZBCRQJKHTL-HNNXBMFYSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001329102805 955684788 /nfs/dbraw/zinc/68/47/88/955684788.db2.gz HKWVKUCDJGGDKJ-UONOGXRCSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC(C)C)CC1 ZINC001329625465 956029046 /nfs/dbraw/zinc/02/90/46/956029046.db2.gz VZMQXBFTVHWYAO-HNNXBMFYSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CC(C)C)CC1 ZINC001329625465 956029060 /nfs/dbraw/zinc/02/90/60/956029060.db2.gz VZMQXBFTVHWYAO-HNNXBMFYSA-N 1 3 293.455 1.424 10 30 CDEEHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001330513603 956460618 /nfs/dbraw/zinc/46/06/18/956460618.db2.gz CBEGXIXQHQIDSM-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001330513603 956460626 /nfs/dbraw/zinc/46/06/26/956460626.db2.gz CBEGXIXQHQIDSM-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001316773556 957007256 /nfs/dbraw/zinc/00/72/56/957007256.db2.gz WNQKVFXDXFZTKI-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317303979 957412998 /nfs/dbraw/zinc/41/29/98/957412998.db2.gz KPUONBWZKZEJGF-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317840260 957689114 /nfs/dbraw/zinc/68/91/14/957689114.db2.gz PEWHDKFHGCYUJF-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317840260 957689118 /nfs/dbraw/zinc/68/91/18/957689118.db2.gz PEWHDKFHGCYUJF-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001494906786 972334930 /nfs/dbraw/zinc/33/49/30/972334930.db2.gz VBYPMALZCDNVGN-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001494906786 972334934 /nfs/dbraw/zinc/33/49/34/972334934.db2.gz VBYPMALZCDNVGN-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@]23CC[NH2+][C@H]2CCCC3)CC1 ZINC001340217190 962824671 /nfs/dbraw/zinc/82/46/71/962824671.db2.gz FXMNYUCOZURTGW-DOTOQJQBSA-N 1 3 291.439 1.675 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001344409975 964302436 /nfs/dbraw/zinc/30/24/36/964302436.db2.gz BFYHJLAVIQJBNY-STQMWFEESA-N 1 3 267.417 1.564 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC001344470393 964322320 /nfs/dbraw/zinc/32/23/20/964322320.db2.gz HGPVTHSIDUFXRC-UKRRQHHQSA-N 1 3 287.407 1.834 10 30 CDEEHO C#CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001495605303 972548648 /nfs/dbraw/zinc/54/86/48/972548648.db2.gz GDPGAXFWLIVDKC-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001495605303 972548657 /nfs/dbraw/zinc/54/86/57/972548657.db2.gz GDPGAXFWLIVDKC-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCC2CC2)CC1 ZINC001497991368 973601242 /nfs/dbraw/zinc/60/12/42/973601242.db2.gz ZWVTXYDAHPOCDD-CQSZACIVSA-N 1 3 291.439 1.226 10 30 CDEEHO C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001403378842 976923125 /nfs/dbraw/zinc/92/31/25/976923125.db2.gz WCTKFSNQTGSBTK-YNEHKIRRSA-N 1 3 287.835 1.564 10 30 CDEEHO C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001403378842 976923135 /nfs/dbraw/zinc/92/31/35/976923135.db2.gz WCTKFSNQTGSBTK-YNEHKIRRSA-N 1 3 287.835 1.564 10 30 CDEEHO C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1CCCCN1C)C(C)C ZINC001677209082 1174334827 /nfs/dbraw/zinc/33/48/27/1174334827.db2.gz OIMBTALJJAJBEQ-INIZCTEOSA-N 1 3 293.455 1.663 10 30 CDEEHO C#CCC[N@H+](C)CCN(C(=O)[C@@H]1CCCCN1C)C(C)C ZINC001677209082 1174334833 /nfs/dbraw/zinc/33/48/33/1174334833.db2.gz OIMBTALJJAJBEQ-INIZCTEOSA-N 1 3 293.455 1.663 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(C)C)CC1 ZINC001570653619 1170223849 /nfs/dbraw/zinc/22/38/49/1170223849.db2.gz UDCCDXOSVJBDQI-CABCVRRESA-N 1 3 293.455 1.470 10 30 CDEEHO COC[C@H](CCC[NH3+])N[C@@H](C)c1cccc(C#N)c1 ZINC000591570967 342637514 /nfs/dbraw/zinc/63/75/14/342637514.db2.gz LPTCLXNJLAXKQR-WFASDCNBSA-N 1 3 261.369 1.963 10 30 CDEEHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](N)CCCCC#N ZINC000594437669 342905928 /nfs/dbraw/zinc/90/59/28/342905928.db2.gz KKQYZAZONYWSMF-STQMWFEESA-N 1 3 268.405 1.244 10 30 CDEEHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)CCCCC#N ZINC000594437669 342905929 /nfs/dbraw/zinc/90/59/29/342905929.db2.gz KKQYZAZONYWSMF-STQMWFEESA-N 1 3 268.405 1.244 10 30 CDEEHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594437771 342905985 /nfs/dbraw/zinc/90/59/85/342905985.db2.gz PFICNWILOPWIGX-SOUVJXGZSA-N 1 3 292.427 1.340 10 30 CDEEHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594437771 342905986 /nfs/dbraw/zinc/90/59/86/342905986.db2.gz PFICNWILOPWIGX-SOUVJXGZSA-N 1 3 292.427 1.340 10 30 CDEEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(C#N)o1 ZINC000594964645 342990309 /nfs/dbraw/zinc/99/03/09/342990309.db2.gz LPYWETDHJRKWDG-ZDUSSCGKSA-N 1 3 278.400 1.513 10 30 CDEEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccnc(C#N)c1 ZINC000596359662 343310023 /nfs/dbraw/zinc/31/00/23/343310023.db2.gz DHKUQFDKQZULQV-ZDUSSCGKSA-N 1 3 275.400 1.059 10 30 CDEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccnc(C#N)c1 ZINC000596359662 343310025 /nfs/dbraw/zinc/31/00/25/343310025.db2.gz DHKUQFDKQZULQV-ZDUSSCGKSA-N 1 3 275.400 1.059 10 30 CDEEHO CN(C)CCC[N@H+](C)CCNc1ccc(C#N)cc1F ZINC000596425831 343311964 /nfs/dbraw/zinc/31/19/64/343311964.db2.gz WKTQXBDLCUGWKU-UHFFFAOYSA-N 1 3 278.375 1.993 10 30 CDEEHO CN(C)CCC[N@@H+](C)CCNc1ccc(C#N)cc1F ZINC000596425831 343311966 /nfs/dbraw/zinc/31/19/66/343311966.db2.gz WKTQXBDLCUGWKU-UHFFFAOYSA-N 1 3 278.375 1.993 10 30 CDEEHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528396918 367824538 /nfs/dbraw/zinc/82/45/38/367824538.db2.gz QDNOVWAOBQVKQL-KBPBESRZSA-N 1 3 265.401 1.315 10 30 CDEEHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528396918 367824542 /nfs/dbraw/zinc/82/45/42/367824542.db2.gz QDNOVWAOBQVKQL-KBPBESRZSA-N 1 3 265.401 1.315 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001661655075 1172422884 /nfs/dbraw/zinc/42/28/84/1172422884.db2.gz WZHPPQIXQZRPSK-XUWVNRHRSA-N 1 3 293.455 1.920 10 30 CDEEHO CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001662010916 1172477748 /nfs/dbraw/zinc/47/77/48/1172477748.db2.gz NSSAULDFXDLJPF-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001662010916 1172477751 /nfs/dbraw/zinc/47/77/51/1172477751.db2.gz NSSAULDFXDLJPF-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417543104 377929725 /nfs/dbraw/zinc/92/97/25/377929725.db2.gz UHSPJSLBUYWCPW-HIFRSBDPSA-N 1 3 294.443 1.324 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237904114 390888999 /nfs/dbraw/zinc/88/89/99/390888999.db2.gz DJDPYDQHVVAPEE-OLZOCXBDSA-N 1 3 265.401 1.271 10 30 CDEEHO COC[C@@H](CCC[NH3+])NCc1ccc(C#N)c(OC)c1 ZINC000423120428 392958414 /nfs/dbraw/zinc/95/84/14/392958414.db2.gz GMWGHABPLYQIAJ-CQSZACIVSA-N 1 3 277.368 1.410 10 30 CDEEHO C#CCC[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001664457617 1172856067 /nfs/dbraw/zinc/85/60/67/1172856067.db2.gz SBWHBCQAZRXINV-CYBMUJFWSA-N 1 3 288.395 1.192 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@@H](CC(C)C)CN(C)C)CCC[NH2+]1 ZINC000662684822 413310337 /nfs/dbraw/zinc/31/03/37/413310337.db2.gz JOYRHHJAGPYYHL-GOEBONIOSA-N 1 3 281.444 1.777 10 30 CDEEHO CN(C)c1ccc2c(c1)C(C#N)N(CCC[NH+](C)C)C2=O ZINC000071679129 176244327 /nfs/dbraw/zinc/24/43/27/176244327.db2.gz WBUVGLYFACEPHN-HNNXBMFYSA-N 1 3 286.379 1.725 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001667584511 1173294157 /nfs/dbraw/zinc/29/41/57/1173294157.db2.gz BLCVGNAYARVBEF-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001667584511 1173294164 /nfs/dbraw/zinc/29/41/64/1173294164.db2.gz BLCVGNAYARVBEF-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001673650963 1173873499 /nfs/dbraw/zinc/87/34/99/1173873499.db2.gz POZAFJBCQAQDTH-KRWDZBQOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001673650963 1173873504 /nfs/dbraw/zinc/87/35/04/1173873504.db2.gz POZAFJBCQAQDTH-KRWDZBQOSA-N 1 3 293.455 1.827 10 30 CDEEHO C[NH+]=C(NC1CCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262811287 330033182 /nfs/dbraw/zinc/03/31/82/330033182.db2.gz VDTDCCSBVILYTF-CQSZACIVSA-N 1 3 264.417 1.675 10 30 CDEEHO C[C@@H]([N@@H+](C)CC#CCN(C)[C@@H](C)C(C)(C)O)C(C)(C)O ZINC000451365988 331025909 /nfs/dbraw/zinc/02/59/09/331025909.db2.gz GCFREDBHQDZBQL-OKILXGFUSA-N 1 3 284.444 1.172 10 30 CDEEHO C[C@@H]([N@H+](C)CC#CCN(C)[C@@H](C)C(C)(C)O)C(C)(C)O ZINC000451365988 331025910 /nfs/dbraw/zinc/02/59/10/331025910.db2.gz GCFREDBHQDZBQL-OKILXGFUSA-N 1 3 284.444 1.172 10 30 CDEEHO C[C@@H](N(C)CC#CC[N@H+](C)[C@@H](C)C(C)(C)O)C(C)(C)O ZINC000451365988 331025911 /nfs/dbraw/zinc/02/59/11/331025911.db2.gz GCFREDBHQDZBQL-OKILXGFUSA-N 1 3 284.444 1.172 10 30 CDEEHO C[C@@H](N(C)CC#CC[N@@H+](C)[C@@H](C)C(C)(C)O)C(C)(C)O ZINC000451365988 331025912 /nfs/dbraw/zinc/02/59/12/331025912.db2.gz GCFREDBHQDZBQL-OKILXGFUSA-N 1 3 284.444 1.172 10 30 CDEEHO C#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCCN1C ZINC001691451554 1159310013 /nfs/dbraw/zinc/31/00/13/1159310013.db2.gz GZDPSCMFTIOXFT-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=C(C)CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481196568 1159552713 /nfs/dbraw/zinc/55/27/13/1159552713.db2.gz KPWADOLFUQFFLS-CYBMUJFWSA-N 1 3 265.401 1.095 10 30 CDEEHO C=C(C)CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001481196568 1159552719 /nfs/dbraw/zinc/55/27/19/1159552719.db2.gz KPWADOLFUQFFLS-CYBMUJFWSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CC[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665758536 482443450 /nfs/dbraw/zinc/44/34/50/482443450.db2.gz IUHRWRPWSRZGIN-KGLIPLIRSA-N 1 3 284.448 1.522 10 30 CDEEHO C=CC[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665758536 482443451 /nfs/dbraw/zinc/44/34/51/482443451.db2.gz IUHRWRPWSRZGIN-KGLIPLIRSA-N 1 3 284.448 1.522 10 30 CDEEHO C=C(C)[C@H](CO)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000678049602 482910572 /nfs/dbraw/zinc/91/05/72/482910572.db2.gz MQBSBAAGLANERK-BPUTZDHNSA-N 1 3 264.413 1.872 10 30 CDEEHO C=C(C)[C@H](CO)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000678049602 482910575 /nfs/dbraw/zinc/91/05/75/482910575.db2.gz MQBSBAAGLANERK-BPUTZDHNSA-N 1 3 264.413 1.872 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC001120504513 1161025303 /nfs/dbraw/zinc/02/53/03/1161025303.db2.gz PILWAOPHMNACEU-AWEZNQCLSA-N 1 3 294.443 1.324 10 30 CDEEHO C#CCN(CCC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001731873628 1182641827 /nfs/dbraw/zinc/64/18/27/1182641827.db2.gz LXGNULRVTFAXAU-UHFFFAOYSA-N 1 3 279.428 1.324 10 30 CDEEHO C=CCN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H](C)COC ZINC000903768196 626085329 /nfs/dbraw/zinc/08/53/29/626085329.db2.gz 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C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000715569062 731913278 /nfs/dbraw/zinc/91/32/78/731913278.db2.gz GAZPMIKAVRIZKR-MCIONIFRSA-N 1 3 280.416 1.387 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000876726306 732001139 /nfs/dbraw/zinc/00/11/39/732001139.db2.gz CZZLIDRLUHXPSX-CMPLNLGQSA-N 1 3 291.848 1.010 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000876935912 732490964 /nfs/dbraw/zinc/49/09/64/732490964.db2.gz SQLNDFYKRIBSCO-QWRGUYRKSA-N 1 3 271.792 1.247 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001566792900 1168425182 /nfs/dbraw/zinc/42/51/82/1168425182.db2.gz CGRGBLTVCYSDTL-JOCQHMNTSA-N 1 3 265.401 1.284 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266342995 894459560 /nfs/dbraw/zinc/45/95/60/894459560.db2.gz VWGLLCJKSOGBPH-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266342995 894459562 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C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001268270818 901715871 /nfs/dbraw/zinc/71/58/71/901715871.db2.gz QHBDZWUDROOPFN-CABCVRRESA-N 1 3 279.428 1.437 10 30 CDEEHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269250212 903607194 /nfs/dbraw/zinc/60/71/94/903607194.db2.gz AVPXFZXCNXKRNB-CABCVRRESA-N 1 3 279.428 1.129 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001482678858 908248282 /nfs/dbraw/zinc/24/82/82/908248282.db2.gz MOVMZJGKOFLRHE-GJZGRUSLSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001482838981 908415070 /nfs/dbraw/zinc/41/50/70/908415070.db2.gz HFBGWDMKFVPKNI-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482899489 908466966 /nfs/dbraw/zinc/46/69/66/908466966.db2.gz QICORTMCZZKVDI-NWDGAFQWSA-N 1 3 273.808 1.175 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899489 908466959 /nfs/dbraw/zinc/46/69/59/908466959.db2.gz 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ZINC001493240192 936620974 /nfs/dbraw/zinc/62/09/74/936620974.db2.gz PDIVGLAYHMJAHH-CABCVRRESA-N 1 3 279.428 1.342 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001486093042 920692241 /nfs/dbraw/zinc/69/22/41/920692241.db2.gz STFDNNBMUUMWSX-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@H+]1CC=C(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001486508689 921083631 /nfs/dbraw/zinc/08/36/31/921083631.db2.gz FDBQJWYPYJLWCA-CQSZACIVSA-N 1 3 265.401 1.261 10 30 CDEEHO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001486508689 921083638 /nfs/dbraw/zinc/08/36/38/921083638.db2.gz FDBQJWYPYJLWCA-CQSZACIVSA-N 1 3 265.401 1.261 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001568506781 1169339929 /nfs/dbraw/zinc/33/99/29/1169339929.db2.gz VCGGFIULDICNNV-UHFFFAOYSA-N 1 3 279.428 1.276 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001275160710 931684270 /nfs/dbraw/zinc/68/42/70/931684270.db2.gz PPWIKATXFCICQQ-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001275160710 931684272 /nfs/dbraw/zinc/68/42/72/931684272.db2.gz PPWIKATXFCICQQ-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C#CCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001568633099 1169409250 /nfs/dbraw/zinc/40/92/50/1169409250.db2.gz XREDMTWSAGORAV-OAHLLOKOSA-N 1 3 293.455 1.759 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001122202583 937912658 /nfs/dbraw/zinc/91/26/58/937912658.db2.gz NUIXMXOYWDFORU-UONOGXRCSA-N 1 3 295.427 1.026 10 30 CDEEHO C=CCN1CC=C(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001279582453 942395639 /nfs/dbraw/zinc/39/56/39/942395639.db2.gz OVBVNVOCYXVBPT-INIZCTEOSA-N 1 3 291.439 1.795 10 30 CDEEHO C=CCN1CC=C(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001279582453 942395643 /nfs/dbraw/zinc/39/56/43/942395643.db2.gz OVBVNVOCYXVBPT-INIZCTEOSA-N 1 3 291.439 1.795 10 30 CDEEHO C#CCN1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001280777641 942484321 /nfs/dbraw/zinc/48/43/21/942484321.db2.gz UJCYYSJPIHINRH-INIZCTEOSA-N 1 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AAZAZTCGZPKAMP-CQSZACIVSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001317165578 953497544 /nfs/dbraw/zinc/49/75/44/953497544.db2.gz IPNGDRRMYYWRBV-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001569172829 1169702049 /nfs/dbraw/zinc/70/20/49/1169702049.db2.gz ACLBSOISXBIEPF-HZPDHXFCSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[NH2+][C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001491599575 955307231 /nfs/dbraw/zinc/30/72/31/955307231.db2.gz ADBBNJOOYPRCGZ-KBPBESRZSA-N 1 3 267.417 1.531 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001316759203 957004021 /nfs/dbraw/zinc/00/40/21/957004021.db2.gz RKFWZBIOCDXFDX-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001316759203 957004035 /nfs/dbraw/zinc/00/40/35/957004035.db2.gz RKFWZBIOCDXFDX-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001317126939 957289855 /nfs/dbraw/zinc/28/98/55/957289855.db2.gz BPACSRXCIQAPLM-NMWPEEMBSA-N 1 3 279.428 1.672 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001332516134 957602931 /nfs/dbraw/zinc/60/29/31/957602931.db2.gz JVCSAQHNNHQMKL-ZIAGYGMSSA-N 1 3 265.401 1.271 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317789521 957666973 /nfs/dbraw/zinc/66/69/73/957666973.db2.gz ORAVBOGJLXCTPJ-GJZGRUSLSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317789521 957666978 /nfs/dbraw/zinc/66/69/78/957666978.db2.gz ORAVBOGJLXCTPJ-GJZGRUSLSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CCC[C@H](C)[NH+]1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001318155160 957947431 /nfs/dbraw/zinc/94/74/31/957947431.db2.gz PHHTWXGEVNKLQX-CABCVRRESA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001319058899 958353945 /nfs/dbraw/zinc/35/39/45/958353945.db2.gz WNUNZACHIRYEJX-KGLIPLIRSA-N 1 3 265.401 1.237 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001319946056 958806222 /nfs/dbraw/zinc/80/62/22/958806222.db2.gz WUVGTMNRIHUCOZ-LSDHHAIUSA-N 1 3 279.428 1.082 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001320110887 958944480 /nfs/dbraw/zinc/94/44/80/958944480.db2.gz IZHDBBBOQXMOMO-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001320110887 958944495 /nfs/dbraw/zinc/94/44/95/958944495.db2.gz IZHDBBBOQXMOMO-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001495212428 972437911 /nfs/dbraw/zinc/43/79/11/972437911.db2.gz UABIQBRZNMYCQI-GASCZTMLSA-N 1 3 291.439 1.511 10 30 CDEEHO C=CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001321188662 959644351 /nfs/dbraw/zinc/64/43/51/959644351.db2.gz JMZXGNXLCRDORL-LMVHVUTASA-N 1 3 265.401 1.309 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001335411960 959783334 /nfs/dbraw/zinc/78/33/34/959783334.db2.gz DZKVLPNOVMMMJP-KGLIPLIRSA-N 1 3 294.443 1.182 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001323064233 960428258 /nfs/dbraw/zinc/42/82/58/960428258.db2.gz QJMSRIWXJHBMSG-AWEZNQCLSA-N 1 3 281.444 1.635 10 30 CDEEHO C#Cc1ccc(NCC[N@@H+](C)CCCN(C)C)nc1 ZINC001348247514 965895247 /nfs/dbraw/zinc/89/52/47/965895247.db2.gz QVKQHIKDPBLIKJ-UHFFFAOYSA-N 1 3 260.385 1.358 10 30 CDEEHO C#Cc1ccc(NCC[N@H+](C)CCCN(C)C)nc1 ZINC001348247514 965895255 /nfs/dbraw/zinc/89/52/55/965895255.db2.gz QVKQHIKDPBLIKJ-UHFFFAOYSA-N 1 3 260.385 1.358 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001357999535 969678147 /nfs/dbraw/zinc/67/81/47/969678147.db2.gz HOKYENBTKKCWSI-RWMBFGLXSA-N 1 3 251.374 1.023 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001502375101 974727789 /nfs/dbraw/zinc/72/77/89/974727789.db2.gz DOIOPGBQJLZMNQ-UHFFFAOYSA-N 1 3 283.460 1.931 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001502375101 974727793 /nfs/dbraw/zinc/72/77/93/974727793.db2.gz DOIOPGBQJLZMNQ-UHFFFAOYSA-N 1 3 283.460 1.931 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001376957614 974830093 /nfs/dbraw/zinc/83/00/93/974830093.db2.gz XYQXYNPPXXFGRK-QWHCGFSZSA-N 1 3 287.835 1.517 10 30 CDEEHO C#CCC[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001675209499 1174083349 /nfs/dbraw/zinc/08/33/49/1174083349.db2.gz JTUBPAAFJPULEA-HNNXBMFYSA-N 1 3 293.455 1.759 10 30 CDEEHO C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001569915633 1170037183 /nfs/dbraw/zinc/03/71/83/1170037183.db2.gz SYQMXLYGUOAUCN-CVEARBPZSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC=C)CC1 ZINC001570654065 1170224224 /nfs/dbraw/zinc/22/42/24/1170224224.db2.gz ZNIYOTHMKOPJKX-HUUCEWRRSA-N 1 3 291.439 1.391 10 30 CDEEHO C#CCN1CC[C@@H](NC(=O)CC[N@@H+](C)CC)CC(C)(C)C1 ZINC001657105742 1171930854 /nfs/dbraw/zinc/93/08/54/1171930854.db2.gz BLRAEDNBHPWZFV-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CC[C@@H](NC(=O)CC[N@H+](C)CC)CC(C)(C)C1 ZINC001657105742 1171930859 /nfs/dbraw/zinc/93/08/59/1171930859.db2.gz BLRAEDNBHPWZFV-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1cccc(C#N)c1 ZINC000591570966 342637319 /nfs/dbraw/zinc/63/73/19/342637319.db2.gz LPTCLXNJLAXKQR-SWLSCSKDSA-N 1 3 261.369 1.963 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000594438454 342906295 /nfs/dbraw/zinc/90/62/95/342906295.db2.gz INKSFKVIWFDJSN-GJZGRUSLSA-N 1 3 292.427 1.342 10 30 CDEEHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](N)CCCCC#N ZINC000594438275 342906398 /nfs/dbraw/zinc/90/63/98/342906398.db2.gz IFKUBLSWMYSBGU-ILXRZTDVSA-N 1 3 292.427 1.483 10 30 CDEEHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](N)CCCCC#N ZINC000594438275 342906400 /nfs/dbraw/zinc/90/64/00/342906400.db2.gz IFKUBLSWMYSBGU-ILXRZTDVSA-N 1 3 292.427 1.483 10 30 CDEEHO C[C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)C[NH+](C)C ZINC000594439453 342906819 /nfs/dbraw/zinc/90/68/19/342906819.db2.gz QRGDDYMJYUZOIA-CHWSQXEVSA-N 1 3 282.432 1.490 10 30 CDEEHO C[NH2+]Cc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594444602 342908359 /nfs/dbraw/zinc/90/83/59/342908359.db2.gz VGDWHPCNKPOOIN-CQSZACIVSA-N 1 3 274.368 1.756 10 30 CDEEHO C[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)[C@H]1CC[NH3+] ZINC000594454115 342911159 /nfs/dbraw/zinc/91/11/59/342911159.db2.gz TYNDOECTADRUMN-MCIONIFRSA-N 1 3 280.416 1.374 10 30 CDEEHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600719894 342244569 /nfs/dbraw/zinc/24/45/69/342244569.db2.gz FLUAYAORAJXLNA-CABCVRRESA-N 1 3 279.428 1.751 10 30 CDEEHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600719894 342244570 /nfs/dbraw/zinc/24/45/70/342244570.db2.gz FLUAYAORAJXLNA-CABCVRRESA-N 1 3 279.428 1.751 10 30 CDEEHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600719894 342244571 /nfs/dbraw/zinc/24/45/71/342244571.db2.gz FLUAYAORAJXLNA-CABCVRRESA-N 1 3 279.428 1.751 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000594456552 342911653 /nfs/dbraw/zinc/91/16/53/342911653.db2.gz QJAMVKVYFCYYNF-QWHCGFSZSA-N 1 3 266.389 1.031 10 30 CDEEHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](N)CCCCC#N ZINC000596577333 343353841 /nfs/dbraw/zinc/35/38/41/343353841.db2.gz CZPSFDLKELTMNX-CYBMUJFWSA-N 1 3 282.432 1.634 10 30 CDEEHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](N)CCCCC#N ZINC000596577333 343353843 /nfs/dbraw/zinc/35/38/43/343353843.db2.gz CZPSFDLKELTMNX-CYBMUJFWSA-N 1 3 282.432 1.634 10 30 CDEEHO N#Cc1ccc2c(c1)[C@@H](NCCOCCC[NH3+])CC2 ZINC000600710000 349876848 /nfs/dbraw/zinc/87/68/48/349876848.db2.gz MJWXBYIAAMAYJP-HNNXBMFYSA-N 1 3 259.353 1.501 10 30 CDEEHO C[NH2+]CCOCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000600712284 349877168 /nfs/dbraw/zinc/87/71/68/349877168.db2.gz WDSYVDVCAXDVFO-LLVKDONJSA-N 1 3 265.332 1.584 10 30 CDEEHO CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCN(C2CC2)C1 ZINC000594436315 358624521 /nfs/dbraw/zinc/62/45/21/358624521.db2.gz DBAWWIWMPYCKQS-KGLIPLIRSA-N 1 3 278.400 1.093 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662336482 412904450 /nfs/dbraw/zinc/90/44/50/412904450.db2.gz DLPVPFOCNIWFPD-CQSZACIVSA-N 1 3 289.427 1.575 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662336482 412904458 /nfs/dbraw/zinc/90/44/58/412904458.db2.gz DLPVPFOCNIWFPD-CQSZACIVSA-N 1 3 289.427 1.575 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001662797239 1172596284 /nfs/dbraw/zinc/59/62/84/1172596284.db2.gz PDUZAHXOCLUJBI-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO CN(CC#Cc1ccccc1)CCN(C)C1CC[NH+](C)CC1 ZINC000192134626 130380863 /nfs/dbraw/zinc/38/08/63/130380863.db2.gz FVKJURGRRIHNMR-UHFFFAOYSA-N 1 3 299.462 1.996 10 30 CDEEHO C#CC[N@H+](CCC)CCNC(=O)CN1CCC(C)CC1 ZINC001663689225 1172747670 /nfs/dbraw/zinc/74/76/70/1172747670.db2.gz ZXFYEQHTAUDXBL-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CC[N@@H+](CCC)CCNC(=O)CN1CCC(C)CC1 ZINC001663689225 1172747676 /nfs/dbraw/zinc/74/76/76/1172747676.db2.gz ZXFYEQHTAUDXBL-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CCN(CC=C)[C@H](CNC(=O)CC1([NH3+])CC1)C(C)C ZINC000662681904 413302147 /nfs/dbraw/zinc/30/21/47/413302147.db2.gz NCZCMCXVLNEAOG-CQSZACIVSA-N 1 3 279.428 1.683 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000662700337 413340013 /nfs/dbraw/zinc/34/00/13/413340013.db2.gz HLXZIXQZMJZBPK-DZGCQCFKSA-N 1 3 265.401 1.143 10 30 CDEEHO C[NH+](C)CC1CCN(Cc2cc(C#CCO)cs2)CC1 ZINC000043698642 175096631 /nfs/dbraw/zinc/09/66/31/175096631.db2.gz IMSYTCTXVXUEPX-UHFFFAOYSA-N 1 3 292.448 1.866 10 30 CDEEHO C[NH+]1CCC(CNC(=O)c2ccccc2C#CCN)CC1 ZINC000044527360 175192684 /nfs/dbraw/zinc/19/26/84/175192684.db2.gz DEWSSSZKCLUBSQ-UHFFFAOYSA-N 1 3 285.391 1.068 10 30 CDEEHO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#CCN)s2)C1 ZINC000044560318 175204107 /nfs/dbraw/zinc/20/41/07/175204107.db2.gz UEQHMDBYOZHBQT-GFCCVEGCSA-N 1 3 291.420 1.130 10 30 CDEEHO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#CCN)s2)C1 ZINC000044560318 175204108 /nfs/dbraw/zinc/20/41/08/175204108.db2.gz UEQHMDBYOZHBQT-GFCCVEGCSA-N 1 3 291.420 1.130 10 30 CDEEHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(C#CCN)c1 ZINC000071192980 176074766 /nfs/dbraw/zinc/07/47/66/176074766.db2.gz XDYIDBCSTFOGJT-OAHLLOKOSA-N 1 3 285.391 1.021 10 30 CDEEHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cccc(C#CCN)c1 ZINC000071192980 176074767 /nfs/dbraw/zinc/07/47/67/176074767.db2.gz XDYIDBCSTFOGJT-OAHLLOKOSA-N 1 3 285.391 1.021 10 30 CDEEHO C#CCC[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001665947908 1173089652 /nfs/dbraw/zinc/08/96/52/1173089652.db2.gz ATDKVFYZQRDIDE-OAHLLOKOSA-N 1 3 291.439 1.370 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001672838884 1173803727 /nfs/dbraw/zinc/80/37/27/1173803727.db2.gz GOYQKWSFQFTJNZ-ZIAGYGMSSA-N 1 3 299.846 1.661 10 30 CDEEHO CC[NH+]=C(NC1CCC1)N(C)C[C@@H]1CCCN1CC ZINC000262816027 330033782 /nfs/dbraw/zinc/03/37/82/330033782.db2.gz WQWOPLOAQYDNOZ-AWEZNQCLSA-N 1 3 266.433 1.921 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCC)CC1 ZINC001699474115 1159705497 /nfs/dbraw/zinc/70/54/97/1159705497.db2.gz JDCSUOAXSXPIAA-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CCC)CC1 ZINC001699474115 1159705503 /nfs/dbraw/zinc/70/55/03/1159705503.db2.gz JDCSUOAXSXPIAA-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO NCC#Cc1cccc(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052763116 527151776 /nfs/dbraw/zinc/15/17/76/527151776.db2.gz OZABUSDTEAHSFW-KRWDZBQOSA-N 1 3 272.392 1.734 10 30 CDEEHO NCC#Cc1cccc(C[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052763116 527151780 /nfs/dbraw/zinc/15/17/80/527151780.db2.gz OZABUSDTEAHSFW-KRWDZBQOSA-N 1 3 272.392 1.734 10 30 CDEEHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902839267 625493055 /nfs/dbraw/zinc/49/30/55/625493055.db2.gz PWLPINIKAFNVHM-DZGCQCFKSA-N 1 3 290.411 1.961 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)NCCN1CCCCC1 ZINC000900207269 622803768 /nfs/dbraw/zinc/80/37/68/622803768.db2.gz SADBRFNTEIQHIZ-UHFFFAOYSA-N 1 3 253.390 1.096 10 30 CDEEHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001691229582 1158966320 /nfs/dbraw/zinc/96/63/20/1158966320.db2.gz ABKBTCUIKQPNOU-LSDHHAIUSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267032706 1159093907 /nfs/dbraw/zinc/09/39/07/1159093907.db2.gz LGTICAIGIPUOMZ-CABCVRRESA-N 1 3 279.428 1.485 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001566723091 1168400034 /nfs/dbraw/zinc/40/00/34/1168400034.db2.gz VXNHJRDWFKBNSS-HOTGVXAUSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001566940809 1168476140 /nfs/dbraw/zinc/47/61/40/1168476140.db2.gz RJDQWPSCWKHVGB-GJZGRUSLSA-N 1 3 279.428 1.177 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001569302735 1169755689 /nfs/dbraw/zinc/75/56/89/1169755689.db2.gz BBLIXBBYPGZIRO-CVEARBPZSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001657070761 1171923791 /nfs/dbraw/zinc/92/37/91/1171923791.db2.gz DHLBQPMUJUTZKL-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C#C[C@H](C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001659172685 1172104769 /nfs/dbraw/zinc/10/47/69/1172104769.db2.gz OGPAYMRXUJJSJP-NFOMZHRRSA-N 1 3 250.386 1.631 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001661162278 1172346974 /nfs/dbraw/zinc/34/69/74/1172346974.db2.gz FSHZDELMNYNQGQ-UONOGXRCSA-N 1 3 267.417 1.243 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001672863494 1173805405 /nfs/dbraw/zinc/80/54/05/1173805405.db2.gz MXKBTBVJNUCWDM-HUUCEWRRSA-N 1 3 279.428 1.342 10 30 CDEEHO C#CCNC/C=C\CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699317453 1176220087 /nfs/dbraw/zinc/22/00/87/1176220087.db2.gz KEVOQCBUYZSZCO-HJWRWDBZSA-N 1 3 291.439 1.394 10 30 CDEEHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001699702982 1176571710 /nfs/dbraw/zinc/57/17/10/1176571710.db2.gz DIJUPTLNIVYLLZ-KRWDZBQOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001699702982 1176571712 /nfs/dbraw/zinc/57/17/12/1176571712.db2.gz DIJUPTLNIVYLLZ-KRWDZBQOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001713134541 1178386492 /nfs/dbraw/zinc/38/64/92/1178386492.db2.gz PECSFTFOQRNQPY-HOTGVXAUSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001713134541 1178386500 /nfs/dbraw/zinc/38/65/00/1178386500.db2.gz PECSFTFOQRNQPY-HOTGVXAUSA-N 1 3 293.455 1.685 10 30 CDEEHO CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001713278136 1178462554 /nfs/dbraw/zinc/46/25/54/1178462554.db2.gz REWWEEUSDYRXQD-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCN(CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001713493745 1178606031 /nfs/dbraw/zinc/60/60/31/1178606031.db2.gz SOIQDUNZNBILEF-UHFFFAOYSA-N 1 3 267.417 1.342 10 30 CDEEHO CC#CCNCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001713664619 1178701357 /nfs/dbraw/zinc/70/13/57/1178701357.db2.gz AFTXGCCDICGVPO-UHFFFAOYSA-N 1 3 279.428 1.324 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001713737456 1178730663 /nfs/dbraw/zinc/73/06/63/1178730663.db2.gz GMWFWFIJWHHPNR-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001713737456 1178730667 /nfs/dbraw/zinc/73/06/67/1178730667.db2.gz GMWFWFIJWHHPNR-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001714351960 1179101744 /nfs/dbraw/zinc/10/17/44/1179101744.db2.gz WZLRANMPTBMIQO-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001714651110 1179299629 /nfs/dbraw/zinc/29/96/29/1179299629.db2.gz VMACRWWQMLZKTP-AWEZNQCLSA-N 1 3 281.444 1.588 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001714651110 1179299636 /nfs/dbraw/zinc/29/96/36/1179299636.db2.gz VMACRWWQMLZKTP-AWEZNQCLSA-N 1 3 281.444 1.588 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001714773002 1179389489 /nfs/dbraw/zinc/38/94/89/1179389489.db2.gz PUAFMFNOFCZEJT-UHFFFAOYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCN1CCC)C(C)C ZINC001715492581 1179681936 /nfs/dbraw/zinc/68/19/36/1179681936.db2.gz QQPLEXUIGPKUSD-HUUCEWRRSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001715712001 1179772610 /nfs/dbraw/zinc/77/26/10/1179772610.db2.gz GSTQZQUJRSIOKE-LSDHHAIUSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001715711998 1179772818 /nfs/dbraw/zinc/77/28/18/1179772818.db2.gz GSTQZQUJRSIOKE-HUUCEWRRSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)C[NH2+]C/C=C\CNC(=O)C1(N(C)C)CCC1 ZINC001715830111 1179854843 /nfs/dbraw/zinc/85/48/43/1179854843.db2.gz XLJIXOSCNMIMBQ-WAYWQWQTSA-N 1 3 265.401 1.309 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001716668123 1180352256 /nfs/dbraw/zinc/35/22/56/1180352256.db2.gz OAYGPPRWPROOKJ-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716668123 1180352262 /nfs/dbraw/zinc/35/22/62/1180352262.db2.gz OAYGPPRWPROOKJ-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001716681679 1180366183 /nfs/dbraw/zinc/36/61/83/1180366183.db2.gz UUPDCEOIMCKYLX-CQSZACIVSA-N 1 3 277.412 1.121 10 30 CDEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001717456522 1180679310 /nfs/dbraw/zinc/67/93/10/1180679310.db2.gz AFFZEXWSEKWKIE-HNNXBMFYSA-N 1 3 293.455 1.426 10 30 CDEEHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001724589124 1181700240 /nfs/dbraw/zinc/70/02/40/1181700240.db2.gz YHXBIRUKXLPPLK-KBPBESRZSA-N 1 3 279.428 1.341 10 30 CDEEHO CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001731994938 1182718260 /nfs/dbraw/zinc/71/82/60/1182718260.db2.gz TVGDXPTYZDFBPU-HOCLYGCPSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001733678396 1183495639 /nfs/dbraw/zinc/49/56/39/1183495639.db2.gz XDKGHRLFXACJDA-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001734508542 1183802526 /nfs/dbraw/zinc/80/25/26/1183802526.db2.gz MSMOUQLHAJIYBC-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000876538774 733418803 /nfs/dbraw/zinc/41/88/03/733418803.db2.gz WSBHGJVQVXMGIV-CYBMUJFWSA-N 1 3 285.819 1.447 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000876530607 733697709 /nfs/dbraw/zinc/69/77/09/733697709.db2.gz XWFNCANQBNNKLK-CYBMUJFWSA-N 1 3 293.798 1.894 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000877452290 733911932 /nfs/dbraw/zinc/91/19/32/733911932.db2.gz WJPLAAJDAJPTKA-SRVKXCTJSA-N 1 3 271.792 1.151 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000877452290 733911944 /nfs/dbraw/zinc/91/19/44/733911944.db2.gz WJPLAAJDAJPTKA-SRVKXCTJSA-N 1 3 271.792 1.151 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872300733 734071330 /nfs/dbraw/zinc/07/13/30/734071330.db2.gz LUUBTRWGVMRXDH-JTQLQIEISA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000876829880 734392129 /nfs/dbraw/zinc/39/21/29/734392129.db2.gz STAIWFNIFPRVAL-LBPRGKRZSA-N 1 3 285.819 1.449 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000877269595 734506726 /nfs/dbraw/zinc/50/67/26/734506726.db2.gz AOFVMELHFNYLQT-WCQYABFASA-N 1 3 293.798 1.621 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000876783311 735278520 /nfs/dbraw/zinc/27/85/20/735278520.db2.gz YZMFWHYFEIDHBB-ZHAHWJHGSA-N 1 3 271.792 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000876783311 735278515 /nfs/dbraw/zinc/27/85/15/735278515.db2.gz YZMFWHYFEIDHBB-ZHAHWJHGSA-N 1 3 271.792 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000876723737 735714073 /nfs/dbraw/zinc/71/40/73/735714073.db2.gz GMWOXRILESSVBE-NEPJUHHUSA-N 1 3 273.808 1.447 10 30 CDEEHO 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C=CCN1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001278420980 947846699 /nfs/dbraw/zinc/84/66/99/947846699.db2.gz QUWXINNKDUMZHU-AWEZNQCLSA-N 1 3 253.390 1.095 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001569136614 1169682353 /nfs/dbraw/zinc/68/23/53/1169682353.db2.gz VWXGUUHFWFXYSR-UONOGXRCSA-N 1 3 269.433 1.585 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001569136614 1169682363 /nfs/dbraw/zinc/68/23/63/1169682363.db2.gz VWXGUUHFWFXYSR-UONOGXRCSA-N 1 3 269.433 1.585 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001325525328 953946866 /nfs/dbraw/zinc/94/68/66/953946866.db2.gz IKTJZPLQKNZQRE-LSDHHAIUSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001493839545 972123715 /nfs/dbraw/zinc/12/37/15/972123715.db2.gz IRUXBLWLFGJEMR-ZDUSSCGKSA-N 1 3 290.411 1.745 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC(C)C)CC1 ZINC001329625466 956032010 /nfs/dbraw/zinc/03/20/10/956032010.db2.gz VZMQXBFTVHWYAO-OAHLLOKOSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC(C)C)CC1 ZINC001329625466 956032027 /nfs/dbraw/zinc/03/20/27/956032027.db2.gz VZMQXBFTVHWYAO-OAHLLOKOSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317336339 956186195 /nfs/dbraw/zinc/18/61/95/956186195.db2.gz IBAKFKCLQICJRA-OAHLLOKOSA-N 1 3 295.471 1.979 10 30 CDEEHO C#CC[NH2+][C@H](CCNC(=O)CN(C)C(C)C)C(C)C ZINC001331225813 956898522 /nfs/dbraw/zinc/89/85/22/956898522.db2.gz LNYCXFVUASWCKL-CQSZACIVSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CC[N@H+](CC)CCCNC(=O)Cc1nc[nH]c1C ZINC001316906165 957112952 /nfs/dbraw/zinc/11/29/52/957112952.db2.gz QZPLSZSDMZKACV-UHFFFAOYSA-N 1 3 264.373 1.275 10 30 CDEEHO C=CC[N@@H+](CC)CCCNC(=O)Cc1nc[nH]c1C ZINC001316906165 957112960 /nfs/dbraw/zinc/11/29/60/957112960.db2.gz QZPLSZSDMZKACV-UHFFFAOYSA-N 1 3 264.373 1.275 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317789520 957667324 /nfs/dbraw/zinc/66/73/24/957667324.db2.gz ORAVBOGJLXCTPJ-CABCVRRESA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317789520 957667328 /nfs/dbraw/zinc/66/73/28/957667328.db2.gz ORAVBOGJLXCTPJ-CABCVRRESA-N 1 3 281.444 1.587 10 30 CDEEHO C#CCC[N@@H+](C)CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001317881930 957709088 /nfs/dbraw/zinc/70/90/88/957709088.db2.gz MBVGEBSWRYXTIW-UHFFFAOYSA-N 1 3 293.455 1.522 10 30 CDEEHO C#CCC[N@H+](C)CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001317881930 957709102 /nfs/dbraw/zinc/70/91/02/957709102.db2.gz MBVGEBSWRYXTIW-UHFFFAOYSA-N 1 3 293.455 1.522 10 30 CDEEHO C#CCN1CCC(C(=O)N(C)CC[N@H+](C)CC(=C)C)CC1 ZINC001320089437 958930637 /nfs/dbraw/zinc/93/06/37/958930637.db2.gz AOIMLZPBTJSWDT-UHFFFAOYSA-N 1 3 291.439 1.298 10 30 CDEEHO C#CCN1CCC(C(=O)N(C)CC[N@@H+](C)CC(=C)C)CC1 ZINC001320089437 958930648 /nfs/dbraw/zinc/93/06/48/958930648.db2.gz AOIMLZPBTJSWDT-UHFFFAOYSA-N 1 3 291.439 1.298 10 30 CDEEHO C=CCC[NH2+]CC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001320548170 959231987 /nfs/dbraw/zinc/23/19/87/959231987.db2.gz JPANIHGVKFFCJP-KBPBESRZSA-N 1 3 267.417 1.389 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321097535 959590013 /nfs/dbraw/zinc/59/00/13/959590013.db2.gz OZKGLXJPSMPZBU-IYKSTZQJSA-N 1 3 277.412 1.146 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001321097535 959590029 /nfs/dbraw/zinc/59/00/29/959590029.db2.gz OZKGLXJPSMPZBU-IYKSTZQJSA-N 1 3 277.412 1.146 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C[NH3+] ZINC001343232842 963934076 /nfs/dbraw/zinc/93/40/76/963934076.db2.gz GCMTXCWWUHOURU-JTQLQIEISA-N 1 3 253.733 1.554 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001495685892 972596090 /nfs/dbraw/zinc/59/60/90/972596090.db2.gz XROKBQWUKAANQB-ZDUSSCGKSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497911033 973574057 /nfs/dbraw/zinc/57/40/57/973574057.db2.gz RMSNPFPMQBUDMB-CZUORRHYSA-N 1 3 297.418 1.317 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001499244216 974222328 /nfs/dbraw/zinc/22/23/28/974222328.db2.gz YBVKDFRSWBRNSY-CQSZACIVSA-N 1 3 279.428 1.675 10 30 CDEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001500378070 974429454 /nfs/dbraw/zinc/42/94/54/974429454.db2.gz HPXNNSWFXQETAH-RDJZCZTQSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001505445983 974881885 /nfs/dbraw/zinc/88/18/85/974881885.db2.gz BDSIKGCPSYMUPP-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001505445983 974881889 /nfs/dbraw/zinc/88/18/89/974881889.db2.gz BDSIKGCPSYMUPP-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001675025410 1174063835 /nfs/dbraw/zinc/06/38/35/1174063835.db2.gz SHNHZHMSGAONMX-CQSZACIVSA-N 1 3 293.455 1.731 10 30 CDEEHO C#CCN1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001677342142 1174352379 /nfs/dbraw/zinc/35/23/79/1174352379.db2.gz POPVTLLQSLTVDY-CABCVRRESA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001677342142 1174352387 /nfs/dbraw/zinc/35/23/87/1174352387.db2.gz POPVTLLQSLTVDY-CABCVRRESA-N 1 3 291.439 1.178 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001570048803 1170064886 /nfs/dbraw/zinc/06/48/86/1170064886.db2.gz WSZUWXLHFMKBNK-SHTZXODSSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001570749580 1170268820 /nfs/dbraw/zinc/26/88/20/1170268820.db2.gz YFBPFCFDGOSSLD-LBPRGKRZSA-N 1 3 278.400 1.663 10 30 CDEEHO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001570749580 1170268824 /nfs/dbraw/zinc/26/88/24/1170268824.db2.gz YFBPFCFDGOSSLD-LBPRGKRZSA-N 1 3 278.400 1.663 10 30 CDEEHO C=CC[NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001570797095 1170281415 /nfs/dbraw/zinc/28/14/15/1170281415.db2.gz HLRIQXAWSVIOPX-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO CN(C(=O)[C@H](N)CCCCC#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000594439041 342906825 /nfs/dbraw/zinc/90/68/25/342906825.db2.gz NDIRIBPQOGHIOS-QNMSZWNNSA-N 1 3 278.400 1.139 10 30 CDEEHO CC(C)C[C@H](CNC(=O)[C@@H](N)CCCCC#N)[NH+](C)C ZINC000594441065 342907541 /nfs/dbraw/zinc/90/75/41/342907541.db2.gz MDEUNQLHFRYUHH-KGLIPLIRSA-N 1 3 282.432 1.490 10 30 CDEEHO C=C(C)CN1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001661015813 1172321799 /nfs/dbraw/zinc/32/17/99/1172321799.db2.gz PDNNHIYEVSSVAB-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])C(C)C ZINC000417062912 391341852 /nfs/dbraw/zinc/34/18/52/391341852.db2.gz MTYZXCAPZMZITH-RRFJBIMHSA-N 1 3 296.459 1.720 10 30 CDEEHO C=CC[C@]1(C(=O)NC2CCN(C3CC3)CC2)CCC[NH2+]1 ZINC000662671738 413286318 /nfs/dbraw/zinc/28/63/18/413286318.db2.gz RHDFGNLMMSKASR-MRXNPFEDSA-N 1 3 277.412 1.428 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001664819122 1172916258 /nfs/dbraw/zinc/91/62/58/1172916258.db2.gz ZPMARSSHYSZURB-LSDHHAIUSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001664819122 1172916264 /nfs/dbraw/zinc/91/62/64/1172916264.db2.gz ZPMARSSHYSZURB-LSDHHAIUSA-N 1 3 281.444 1.683 10 30 CDEEHO C#CCN1CCC([NH2+]C[C@H]2CCN(C(C)C)C2)CC1 ZINC000040623268 174355912 /nfs/dbraw/zinc/35/59/12/174355912.db2.gz JTJPRQBDCPNVQE-OAHLLOKOSA-N 1 3 263.429 1.404 10 30 CDEEHO CN1CC[C@@H](C[N@H+](C)Cc2cc(C#CCO)cs2)C1 ZINC000071190486 176066253 /nfs/dbraw/zinc/06/62/53/176066253.db2.gz YAPLJVQIVRBCIG-CQSZACIVSA-N 1 3 278.421 1.475 10 30 CDEEHO CN1CC[C@@H](C[N@@H+](C)Cc2cc(C#CCO)cs2)C1 ZINC000071190486 176066254 /nfs/dbraw/zinc/06/62/54/176066254.db2.gz YAPLJVQIVRBCIG-CQSZACIVSA-N 1 3 278.421 1.475 10 30 CDEEHO Cc1c(C[NH2+]CC(C)(C)CN(C)C)cc(C#N)n1C ZINC000078410364 177339478 /nfs/dbraw/zinc/33/94/78/177339478.db2.gz MPQLGWGZTZTJQZ-UHFFFAOYSA-N 1 3 262.401 1.883 10 30 CDEEHO C#CC[NH2+]C1(C)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001673982400 1173903780 /nfs/dbraw/zinc/90/37/80/1173903780.db2.gz WJLAPSBJIBMBKR-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)N1CCCC[C@H]1C ZINC000262427179 330009790 /nfs/dbraw/zinc/00/97/90/330009790.db2.gz CZCACYIHYOONCJ-HZSPNIEDSA-N 1 3 282.432 1.285 10 30 CDEEHO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](N2CCCCC2)C1 ZINC000262506402 330018588 /nfs/dbraw/zinc/01/85/88/330018588.db2.gz ZZBFYUOFSNSQLJ-MELADBBJSA-N 1 3 264.417 1.530 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(C)CCC1 ZINC000262722080 330028828 /nfs/dbraw/zinc/02/88/28/330028828.db2.gz WHNZZVVBUULKOF-GFCCVEGCSA-N 1 3 252.406 1.565 10 30 CDEEHO C[NH+]=C(NCc1ccoc1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000263156971 330046386 /nfs/dbraw/zinc/04/63/86/330046386.db2.gz NPFKMMGHYPHGTB-CQSZACIVSA-N 1 3 290.411 1.962 10 30 CDEEHO CNC(=[NH2+])N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000270131100 330073996 /nfs/dbraw/zinc/07/39/96/330073996.db2.gz PAZWSEFJPGEPJO-JSGCOSHPSA-N 1 3 260.385 1.574 10 30 CDEEHO C=CCCC[NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001691476290 1159334143 /nfs/dbraw/zinc/33/41/43/1159334143.db2.gz GIJAWIYQFLZYFO-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CCCC1 ZINC001732395075 1160568803 /nfs/dbraw/zinc/56/88/03/1160568803.db2.gz WNQHFGGGCXGKBL-HNNXBMFYSA-N 1 3 291.439 1.513 10 30 CDEEHO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000925769882 617628765 /nfs/dbraw/zinc/62/87/65/617628765.db2.gz GQSCAWBWIJLXRG-GXTWGEPZSA-N 1 3 263.385 1.826 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925704718 617777687 /nfs/dbraw/zinc/77/76/87/617777687.db2.gz JOQZZFDUERKEDU-AIEDFZFUSA-N 1 3 264.413 1.944 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000876876756 630579047 /nfs/dbraw/zinc/57/90/47/630579047.db2.gz ULYDDQOTHZWIJU-VXGBXAGGSA-N 1 3 273.808 1.399 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000913815905 630794264 /nfs/dbraw/zinc/79/42/64/630794264.db2.gz UIESULRFFYKNDU-UONOGXRCSA-N 1 3 265.401 1.189 10 30 CDEEHO C=CCN(C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001690998504 1158519179 /nfs/dbraw/zinc/51/91/79/1158519179.db2.gz LYTICZXRZNMDOW-UHFFFAOYSA-N 1 3 253.390 1.096 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001646839448 1168183222 /nfs/dbraw/zinc/18/32/22/1168183222.db2.gz UOAHBNNBPSQXDB-VXGBXAGGSA-N 1 3 275.824 1.693 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001568433593 1169284547 /nfs/dbraw/zinc/28/45/47/1169284547.db2.gz DFSRAUHHNFWTDA-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001569994194 1170055176 /nfs/dbraw/zinc/05/51/76/1170055176.db2.gz GCWFDFBCPIMYCZ-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001570608081 1170209466 /nfs/dbraw/zinc/20/94/66/1170209466.db2.gz MVWBULZXSSYRDB-ZIAGYGMSSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](F)CN(CC)CC ZINC001661926165 1172468192 /nfs/dbraw/zinc/46/81/92/1172468192.db2.gz SNCDZOWAQXKBGY-LSDHHAIUSA-N 1 3 297.418 1.270 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001663014559 1172628677 /nfs/dbraw/zinc/62/86/77/1172628677.db2.gz YVXRXDCMGORFCK-GJZGRUSLSA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001690389207 1175457346 /nfs/dbraw/zinc/45/73/46/1175457346.db2.gz ZMRXYHXHQAIMBC-JKSUJKDBSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001698927536 1175987574 /nfs/dbraw/zinc/98/75/74/1175987574.db2.gz FRYGBZOODVJVHQ-LSDHHAIUSA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699345816 1176273183 /nfs/dbraw/zinc/27/31/83/1176273183.db2.gz QNZVYUSFHYXXAZ-MOEXGYKKSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CCC1 ZINC001700132232 1176763915 /nfs/dbraw/zinc/76/39/15/1176763915.db2.gz VCLNYSKSSOGVDQ-CQSZACIVSA-N 1 3 279.428 1.675 10 30 CDEEHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001707121813 1177954683 /nfs/dbraw/zinc/95/46/83/1177954683.db2.gz HHKWBIROKKXJDD-LSDHHAIUSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713216150 1178438379 /nfs/dbraw/zinc/43/83/79/1178438379.db2.gz ZMRXYHXHQAIMBC-HOTGVXAUSA-N 1 3 293.455 1.424 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713391615 1178535608 /nfs/dbraw/zinc/53/56/08/1178535608.db2.gz HKBGDTQOQUSHNM-BZUAXINKSA-N 1 3 291.439 1.273 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713391615 1178535614 /nfs/dbraw/zinc/53/56/14/1178535614.db2.gz HKBGDTQOQUSHNM-BZUAXINKSA-N 1 3 291.439 1.273 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001714022167 1178931564 /nfs/dbraw/zinc/93/15/64/1178931564.db2.gz NCEBESITAIBSDI-CALCHBBNSA-N 1 3 299.418 1.622 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CC(=C)C)CC1 ZINC001714310960 1179079884 /nfs/dbraw/zinc/07/98/84/1179079884.db2.gz WKVBTSLTZJBVRA-CQSZACIVSA-N 1 3 277.412 1.002 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001714351109 1179100452 /nfs/dbraw/zinc/10/04/52/1179100452.db2.gz IYEVHVDKTCIEOJ-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CC[NH2+][C@H](CC)CNC(=O)CN1CC[C@@H](C)C1 ZINC001715081574 1179544404 /nfs/dbraw/zinc/54/44/04/1179544404.db2.gz OBMVLCKIJMFCAC-HUUCEWRRSA-N 1 3 281.444 1.779 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001715157080 1179566586 /nfs/dbraw/zinc/56/65/86/1179566586.db2.gz UWDDKVCIDFDXIF-AWEZNQCLSA-N 1 3 288.395 1.194 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001715334306 1179630609 /nfs/dbraw/zinc/63/06/09/1179630609.db2.gz CPKVSGLOLHTUKC-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001716660071 1180345206 /nfs/dbraw/zinc/34/52/06/1180345206.db2.gz LKGNGXSAXDKJNX-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001717088383 1180528452 /nfs/dbraw/zinc/52/84/52/1180528452.db2.gz UMFBQFZXGSEXCH-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCN1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001717202369 1180570323 /nfs/dbraw/zinc/57/03/23/1180570323.db2.gz RFGBSGGGUANVSH-MRXNPFEDSA-N 1 3 291.439 1.466 10 30 CDEEHO CC#CCN[C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001725600511 1182068682 /nfs/dbraw/zinc/06/86/82/1182068682.db2.gz WRCVDCNSCCYNME-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN[C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001725600511 1182068686 /nfs/dbraw/zinc/06/86/86/1182068686.db2.gz WRCVDCNSCCYNME-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001731333023 1182326217 /nfs/dbraw/zinc/32/62/17/1182326217.db2.gz NZIHWIOAGHMTSX-UHFFFAOYSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001731333023 1182326224 /nfs/dbraw/zinc/32/62/24/1182326224.db2.gz NZIHWIOAGHMTSX-UHFFFAOYSA-N 1 3 291.439 1.465 10 30 CDEEHO 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C=C(C)CN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001267331224 897612592 /nfs/dbraw/zinc/61/25/92/897612592.db2.gz BJRALSUFRUBNAY-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCN(CCC)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001493323388 898054996 /nfs/dbraw/zinc/05/49/96/898054996.db2.gz HQGXFZIREDHAQT-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001267842727 899856393 /nfs/dbraw/zinc/85/63/93/899856393.db2.gz BFBVCMRREORDLQ-UHFFFAOYSA-N 1 3 290.411 1.855 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268253063 901673880 /nfs/dbraw/zinc/67/38/80/901673880.db2.gz JXTQFCCIQBLQQS-CVEARBPZSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001268253063 901673885 /nfs/dbraw/zinc/67/38/85/901673885.db2.gz JXTQFCCIQBLQQS-CVEARBPZSA-N 1 3 291.439 1.417 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001498367343 902553111 /nfs/dbraw/zinc/55/31/11/902553111.db2.gz VQEGAAVFSNOFED-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001498367343 902553121 /nfs/dbraw/zinc/55/31/21/902553121.db2.gz VQEGAAVFSNOFED-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001317547301 904386725 /nfs/dbraw/zinc/38/67/25/904386725.db2.gz LVYZWMVIELGQRE-MRXNPFEDSA-N 1 3 293.455 1.570 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001317547301 904386730 /nfs/dbraw/zinc/38/67/30/904386730.db2.gz LVYZWMVIELGQRE-MRXNPFEDSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001482335984 905102420 /nfs/dbraw/zinc/10/24/20/905102420.db2.gz QTBTYDADTSYNJM-GFCCVEGCSA-N 1 3 264.373 1.355 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001482434027 905394931 /nfs/dbraw/zinc/39/49/31/905394931.db2.gz NDMZEXIMIOIGQK-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001482500195 906678777 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C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001490777370 927343797 /nfs/dbraw/zinc/34/37/97/927343797.db2.gz PLXSZMYWOPQGCK-HNNXBMFYSA-N 1 3 279.428 1.130 10 30 CDEEHO CC#CC[NH2+]CCN(CC)C(=O)CN1CCC(C)CC1 ZINC001568786203 1169475345 /nfs/dbraw/zinc/47/53/45/1169475345.db2.gz PWPBPESEMNOYSQ-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001282397326 942705328 /nfs/dbraw/zinc/70/53/28/942705328.db2.gz DCLJZTTUGCEWSI-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001282397326 942705333 /nfs/dbraw/zinc/70/53/33/942705333.db2.gz DCLJZTTUGCEWSI-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001282461131 942717459 /nfs/dbraw/zinc/71/74/59/942717459.db2.gz KFIALMNJLAFDQM-OLZOCXBDSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001282461131 942717460 /nfs/dbraw/zinc/71/74/60/942717460.db2.gz KFIALMNJLAFDQM-OLZOCXBDSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001283184399 942848353 /nfs/dbraw/zinc/84/83/53/942848353.db2.gz AMIOUGCDOVUMJT-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001263179558 943776665 /nfs/dbraw/zinc/77/66/65/943776665.db2.gz QDBSQYUBCLCGCO-OUCADQQQSA-N 1 3 251.374 1.071 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001264394117 944125816 /nfs/dbraw/zinc/12/58/16/944125816.db2.gz UFEXPVFXPIMDTK-OKILXGFUSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CCC[NH2+][C@@H](CNC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001265378140 944365282 /nfs/dbraw/zinc/36/52/82/944365282.db2.gz HOTCITIBHWOANU-AWEZNQCLSA-N 1 3 276.384 1.321 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001266040984 944650665 /nfs/dbraw/zinc/65/06/65/944650665.db2.gz PTGXPASQCXABJQ-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261552310 946171656 /nfs/dbraw/zinc/17/16/56/946171656.db2.gz OFXQAIJMETWLRD-CQSZACIVSA-N 1 3 292.427 1.390 10 30 CDEEHO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CCCCCC)C1 ZINC001278403115 947623418 /nfs/dbraw/zinc/62/34/18/947623418.db2.gz GOCRRVUNMRZXDT-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001480158273 971607336 /nfs/dbraw/zinc/60/73/36/971607336.db2.gz WZHPPQIXQZRPSK-KLHDSHLOSA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001325581658 953971782 /nfs/dbraw/zinc/97/17/82/953971782.db2.gz NGRHTRAFHDVRNP-GJZGRUSLSA-N 1 3 281.444 1.588 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001326420127 954371610 /nfs/dbraw/zinc/37/16/10/954371610.db2.gz YZUYNUNRQKVDGL-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CC[NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001328858993 955517234 /nfs/dbraw/zinc/51/72/34/955517234.db2.gz IJYCEHIJTKUMMG-UHFFFAOYSA-N 1 3 293.455 1.921 10 30 CDEEHO N#C[C@H]1CC[C@@H](N2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001422429554 955996430 /nfs/dbraw/zinc/99/64/30/955996430.db2.gz ARDBIVUIPOBISF-JKSUJKDBSA-N 1 3 291.439 1.991 10 30 CDEEHO CC#CC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001317220984 957350005 /nfs/dbraw/zinc/35/00/05/957350005.db2.gz QPHHJPPFZSKRQE-UYSNPLJNSA-N 1 3 293.455 1.613 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001332389087 957542872 /nfs/dbraw/zinc/54/28/72/957542872.db2.gz WBEZOFBHDUKVBL-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)N(C)C ZINC001318538505 958160797 /nfs/dbraw/zinc/16/07/97/958160797.db2.gz UKJLQSCZZXNQOA-KBPBESRZSA-N 1 3 269.433 1.633 10 30 CDEEHO C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCN1CCC ZINC001494987199 972364630 /nfs/dbraw/zinc/36/46/30/972364630.db2.gz HQKUKWCFLMJJSM-KBPBESRZSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(Cl)CNC[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001495278745 972462722 /nfs/dbraw/zinc/46/27/22/972462722.db2.gz XCZJGXZDWNNOJV-AWEZNQCLSA-N 1 3 287.835 1.565 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001342366476 963722242 /nfs/dbraw/zinc/72/22/42/963722242.db2.gz YNRLXPTZSKZQTD-CYBMUJFWSA-N 1 3 267.417 1.790 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001355611725 969226585 /nfs/dbraw/zinc/22/65/85/969226585.db2.gz HQYXNBSLKYRVPD-OCCSQVGLSA-N 1 3 251.374 1.025 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001496837676 973113894 /nfs/dbraw/zinc/11/38/94/973113894.db2.gz DOJXTUPIBCBDIJ-UHFFFAOYSA-N 1 3 293.455 1.666 10 30 CDEEHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001569694962 1169967752 /nfs/dbraw/zinc/96/77/52/1169967752.db2.gz CFHASVCTOUVMSJ-MRXNPFEDSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+][C@@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001675140015 1174080001 /nfs/dbraw/zinc/08/00/01/1174080001.db2.gz LETWIAGIVQRXLD-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001676854443 1174280706 /nfs/dbraw/zinc/28/07/06/1174280706.db2.gz UBQZOVNTANJVLK-HRCADAONSA-N 1 3 291.439 1.177 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001570090313 1170075792 /nfs/dbraw/zinc/07/57/92/1170075792.db2.gz WDYSPHQKGRGJSL-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001656848134 1171884723 /nfs/dbraw/zinc/88/47/23/1171884723.db2.gz WSBYYIZFBASKTH-CVEARBPZSA-N 1 3 291.439 1.130 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001656848134 1171884733 /nfs/dbraw/zinc/88/47/33/1171884733.db2.gz WSBYYIZFBASKTH-CVEARBPZSA-N 1 3 291.439 1.130 10 30 CDEEHO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594437257 342898998 /nfs/dbraw/zinc/89/89/98/342898998.db2.gz VFFZBVUHELCZCJ-KGLIPLIRSA-N 1 3 280.416 1.340 10 30 CDEEHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594440678 342906932 /nfs/dbraw/zinc/90/69/32/342906932.db2.gz HSFYJHPGGYKILR-CHWSQXEVSA-N 1 3 268.405 1.244 10 30 CDEEHO Cc1cc(C[NH3+])cc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594450286 342909780 /nfs/dbraw/zinc/90/97/80/342909780.db2.gz WRNJUESVKRSIKA-CQSZACIVSA-N 1 3 274.368 1.804 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000600715716 342244168 /nfs/dbraw/zinc/24/41/68/342244168.db2.gz HTNJTICWTVGNMH-MCIONIFRSA-N 1 3 263.385 1.258 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000600715716 342244169 /nfs/dbraw/zinc/24/41/69/342244169.db2.gz HTNJTICWTVGNMH-MCIONIFRSA-N 1 3 263.385 1.258 10 30 CDEEHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600728405 342245464 /nfs/dbraw/zinc/24/54/64/342245464.db2.gz PICLJRFBPUNKAK-HZPDHXFCSA-N 1 3 293.455 1.999 10 30 CDEEHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600728405 342245465 /nfs/dbraw/zinc/24/54/65/342245465.db2.gz PICLJRFBPUNKAK-HZPDHXFCSA-N 1 3 293.455 1.999 10 30 CDEEHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600728405 342245466 /nfs/dbraw/zinc/24/54/66/342245466.db2.gz PICLJRFBPUNKAK-HZPDHXFCSA-N 1 3 293.455 1.999 10 30 CDEEHO C#C[C@@H](C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001659172686 1172105095 /nfs/dbraw/zinc/10/50/95/1172105095.db2.gz OGPAYMRXUJJSJP-WLYUNCDWSA-N 1 3 250.386 1.631 10 30 CDEEHO CC[C@@H](CNC(NCCCOC)=[NH+]C)N1CCCC1 ZINC000065503436 363294552 /nfs/dbraw/zinc/29/45/52/363294552.db2.gz BNINJIPJIZIVIH-ZDUSSCGKSA-N 1 3 270.421 1.062 10 30 CDEEHO C[NH+]1CCC(CNCCC#N)(N2CCCCC2)CC1 ZINC000567691020 371101577 /nfs/dbraw/zinc/10/15/77/371101577.db2.gz NKTJWOGNMNSAHT-UHFFFAOYSA-N 1 3 264.417 1.440 10 30 CDEEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc(C#N)o2)CC1 ZINC000121103444 147358571 /nfs/dbraw/zinc/35/85/71/147358571.db2.gz HCUJVFSQZHIWGZ-CYBMUJFWSA-N 1 3 291.395 1.676 10 30 CDEEHO C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001664687162 1172884874 /nfs/dbraw/zinc/88/48/74/1172884874.db2.gz PYQGIRUTADUYQS-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001664687162 1172884880 /nfs/dbraw/zinc/88/48/80/1172884880.db2.gz PYQGIRUTADUYQS-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CC[C@]1(C(=O)N2CC[C@@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000662708567 413355885 /nfs/dbraw/zinc/35/58/85/413355885.db2.gz MYUKZGRUUMKJNV-GDBMZVCRSA-N 1 3 277.412 1.381 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCC[NH2+]1 ZINC000662754156 413431063 /nfs/dbraw/zinc/43/10/63/413431063.db2.gz FQBPSMRDGABJIY-XNRPHZJLSA-N 1 3 277.412 1.284 10 30 CDEEHO [NH3+]CC#Cc1ccsc1CN1CCC[C@@H](O)C1 ZINC000043683968 175091889 /nfs/dbraw/zinc/09/18/89/175091889.db2.gz OYONMELCOHOZOX-GFCCVEGCSA-N 1 3 250.367 1.015 10 30 CDEEHO [NH3+]CC#Cc1csc(CN2CCN(CC3CC3)CC2)c1 ZINC000043689033 175095981 /nfs/dbraw/zinc/09/59/81/175095981.db2.gz RYQFZYGSTYFRSI-UHFFFAOYSA-N 1 3 289.448 1.586 10 30 CDEEHO CN(Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CCCO1 ZINC000043688981 175096102 /nfs/dbraw/zinc/09/61/02/175096102.db2.gz GDAZMZVRJKGPTA-ZDUSSCGKSA-N 1 3 264.394 1.669 10 30 CDEEHO CN(Cc1ccc(C#CCN)cc1F)C[C@H]1CC[N@H+](C)C1 ZINC000071190477 176067171 /nfs/dbraw/zinc/06/71/71/176067171.db2.gz DWXFRWAOPGADTB-HNNXBMFYSA-N 1 3 289.398 1.519 10 30 CDEEHO CN(Cc1ccc(C#CCN)cc1F)C[C@H]1CC[N@@H+](C)C1 ZINC000071190477 176067172 /nfs/dbraw/zinc/06/71/72/176067172.db2.gz DWXFRWAOPGADTB-HNNXBMFYSA-N 1 3 289.398 1.519 10 30 CDEEHO C[C@@H](N)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000530234433 271175460 /nfs/dbraw/zinc/17/54/60/271175460.db2.gz PHOGWOQVMLNHCY-GFCCVEGCSA-N 1 3 259.353 1.501 10 30 CDEEHO CN1CCC[C@H]2C[N@H+](CCOCCC#N)CC[C@@H]21 ZINC000339020150 327007987 /nfs/dbraw/zinc/00/79/87/327007987.db2.gz DEXQYVKTUBALAK-KBPBESRZSA-N 1 3 251.374 1.333 10 30 CDEEHO CN1CCC[C@H]2C[N@@H+](CCOCCC#N)CC[C@@H]21 ZINC000339020150 327007989 /nfs/dbraw/zinc/00/79/89/327007989.db2.gz DEXQYVKTUBALAK-KBPBESRZSA-N 1 3 251.374 1.333 10 30 CDEEHO C=CCNC(=[NH2+])NCC1(N2CCCCC2)CCN(C)CC1 ZINC000262691206 330027685 /nfs/dbraw/zinc/02/76/85/330027685.db2.gz WEJBFFIGKCJRAH-UHFFFAOYSA-N 1 3 293.459 1.027 10 30 CDEEHO CC[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262743834 330029021 /nfs/dbraw/zinc/02/90/21/330029021.db2.gz FNZUBBHWAAIQON-UMVBOHGHSA-N 1 3 278.444 1.967 10 30 CDEEHO C[NH+](C)CC1CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424200489 330326638 /nfs/dbraw/zinc/32/66/38/330326638.db2.gz ZOPITWLNEUBHDW-RUXDESIVSA-N 1 3 280.416 1.244 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001692263944 1159230624 /nfs/dbraw/zinc/23/06/24/1159230624.db2.gz VBSLROMKBQTOHN-GJZGRUSLSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001692263944 1159230628 /nfs/dbraw/zinc/23/06/28/1159230628.db2.gz VBSLROMKBQTOHN-GJZGRUSLSA-N 1 3 279.428 1.437 10 30 CDEEHO CC#CCN1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001725761357 1159277967 /nfs/dbraw/zinc/27/79/67/1159277967.db2.gz AAWFLFOXMCKRCB-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001699152745 1176114559 /nfs/dbraw/zinc/11/45/59/1176114559.db2.gz BXJRHISEWXIJKS-LLVKDONJSA-N 1 3 264.373 1.321 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001717336055 1180621322 /nfs/dbraw/zinc/62/13/22/1180621322.db2.gz NCRUZCZXQUPFPT-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001717336055 1180621326 /nfs/dbraw/zinc/62/13/26/1180621326.db2.gz NCRUZCZXQUPFPT-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO CCN1CCC[C@@H](NC(=O)c2ccc(C#CC[NH3+])cc2)C1 ZINC000049232048 521624194 /nfs/dbraw/zinc/62/41/94/521624194.db2.gz RBPYPLRBPYDTBG-MRXNPFEDSA-N 1 3 285.391 1.211 10 30 CDEEHO COc1ccc(C#CC[NH3+])cc1CN1CCC[C@@H](CO)C1 ZINC000049608325 523513061 /nfs/dbraw/zinc/51/30/61/523513061.db2.gz WXOQWIQVWPJHNK-OAHLLOKOSA-N 1 3 288.391 1.210 10 30 CDEEHO CC[C@H](C)N1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000055069288 523955651 /nfs/dbraw/zinc/95/56/51/523955651.db2.gz NGEKWMZKKLLNBU-AWEZNQCLSA-N 1 3 291.464 1.974 10 30 CDEEHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902839270 625492713 /nfs/dbraw/zinc/49/27/13/625492713.db2.gz PWLPINIKAFNVHM-ZFWWWQNUSA-N 1 3 290.411 1.961 10 30 CDEEHO C=CCCC[N@@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000904471595 626304281 /nfs/dbraw/zinc/30/42/81/626304281.db2.gz JQQXHOJMCJNOBM-AWEZNQCLSA-N 1 3 267.417 1.472 10 30 CDEEHO C=CCCC[N@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000904471595 626304283 /nfs/dbraw/zinc/30/42/83/626304283.db2.gz JQQXHOJMCJNOBM-AWEZNQCLSA-N 1 3 267.417 1.472 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691147267 1158933741 /nfs/dbraw/zinc/93/37/41/1158933741.db2.gz RKRXRSSDUKUGGI-SHTZXODSSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001732083234 1159725145 /nfs/dbraw/zinc/72/51/45/1159725145.db2.gz GYIBVHMLTISNFS-MRXNPFEDSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001732083234 1159725149 /nfs/dbraw/zinc/72/51/49/1159725149.db2.gz GYIBVHMLTISNFS-MRXNPFEDSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000876731334 1165903487 /nfs/dbraw/zinc/90/34/87/1165903487.db2.gz IMZRRCDAMQAJTJ-AAEUAGOBSA-N 1 3 287.835 1.695 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000876787472 1165916287 /nfs/dbraw/zinc/91/62/87/1165916287.db2.gz QVZVWADQNAXUEH-NSHDSACASA-N 1 3 259.781 1.009 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877249307 1166003563 /nfs/dbraw/zinc/00/35/63/1166003563.db2.gz ITCLSNBMTJPUQP-GRYCIOLGSA-N 1 3 271.792 1.009 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877249307 1166003565 /nfs/dbraw/zinc/00/35/65/1166003565.db2.gz ITCLSNBMTJPUQP-GRYCIOLGSA-N 1 3 271.792 1.009 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001569567616 1169926906 /nfs/dbraw/zinc/92/69/06/1169926906.db2.gz ZOGWXAACRBBNHH-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001656448558 1171825824 /nfs/dbraw/zinc/82/58/24/1171825824.db2.gz RSGSVEKTKBLJGK-HIFRSBDPSA-N 1 3 288.395 1.192 10 30 CDEEHO C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001661554593 1172405701 /nfs/dbraw/zinc/40/57/01/1172405701.db2.gz DAVSPIBIVSQAEW-HOTGVXAUSA-N 1 3 293.455 1.826 10 30 CDEEHO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001661554593 1172405704 /nfs/dbraw/zinc/40/57/04/1172405704.db2.gz DAVSPIBIVSQAEW-HOTGVXAUSA-N 1 3 293.455 1.826 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001662724054 1172587232 /nfs/dbraw/zinc/58/72/32/1172587232.db2.gz ZYTYJIGJQOEUAM-AWEZNQCLSA-N 1 3 265.401 1.096 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001690471870 1175478998 /nfs/dbraw/zinc/47/89/98/1175478998.db2.gz WUAUQWYBAHTJDH-CQSZACIVSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)CN(C)CC(C)(C)C ZINC001698611954 1175871519 /nfs/dbraw/zinc/87/15/19/1175871519.db2.gz AUWQYNGHQZKCJP-CYBMUJFWSA-N 1 3 269.433 1.635 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001713564799 1178651192 /nfs/dbraw/zinc/65/11/92/1178651192.db2.gz LJEPLEQXZQHLAP-HOCLYGCPSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001714078323 1178963863 /nfs/dbraw/zinc/96/38/63/1178963863.db2.gz HBTUVVJIPXOXPL-HNNXBMFYSA-N 1 3 295.471 1.979 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001714390078 1179119943 /nfs/dbraw/zinc/11/99/43/1179119943.db2.gz BLBGOHFJUOUVCE-HUUCEWRRSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCNC[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715368844 1179646291 /nfs/dbraw/zinc/64/62/91/1179646291.db2.gz MJXOYOHGDUEJSY-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001715441611 1179667703 /nfs/dbraw/zinc/66/77/03/1179667703.db2.gz ZOULQXXIJCXPBF-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001715441618 1179667925 /nfs/dbraw/zinc/66/79/25/1179667925.db2.gz ZOULQXXIJCXPBF-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C=C(C)CC[NH2+][C@H](CNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001715506298 1179687104 /nfs/dbraw/zinc/68/71/04/1179687104.db2.gz LZLDKIVYTYXSQF-OAHLLOKOSA-N 1 3 292.427 1.957 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC(=C)C)CC1 ZINC001716509111 1180261973 /nfs/dbraw/zinc/26/19/73/1180261973.db2.gz WMGKDLPCFJPCCR-HNNXBMFYSA-N 1 3 291.439 1.344 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC(=C)C)CC1 ZINC001716509111 1180261976 /nfs/dbraw/zinc/26/19/76/1180261976.db2.gz WMGKDLPCFJPCCR-HNNXBMFYSA-N 1 3 291.439 1.344 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001717290978 1180607012 /nfs/dbraw/zinc/60/70/12/1180607012.db2.gz SNRBXGLYQJBJKW-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001717826077 1180881692 /nfs/dbraw/zinc/88/16/92/1180881692.db2.gz MTDUCEOVSVBTIQ-CVEARBPZSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001723303036 1181535407 /nfs/dbraw/zinc/53/54/07/1181535407.db2.gz WKMRYQHETANJEX-JKSUJKDBSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001731420953 1182375243 /nfs/dbraw/zinc/37/52/43/1182375243.db2.gz AUVQMWKGIVEJOY-HZPDHXFCSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001731420953 1182375251 /nfs/dbraw/zinc/37/52/51/1182375251.db2.gz AUVQMWKGIVEJOY-HZPDHXFCSA-N 1 3 291.439 1.132 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001732524428 1182996472 /nfs/dbraw/zinc/99/64/72/1182996472.db2.gz BUEYWTCIJFUHKL-LSDHHAIUSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001733675619 1183494561 /nfs/dbraw/zinc/49/45/61/1183494561.db2.gz GVYPHFWVZYGHHO-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001733690423 1183497542 /nfs/dbraw/zinc/49/75/42/1183497542.db2.gz QAGJGYMKKYYEGW-JYJNAYRXSA-N 1 3 293.455 1.779 10 30 CDEEHO C#CCC[NH2+]C1(C)CCN(C(=O)CN(C)CCC)CC1 ZINC001733869948 1183554987 /nfs/dbraw/zinc/55/49/87/1183554987.db2.gz LTKQMXGVZMRYQT-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877256774 739495697 /nfs/dbraw/zinc/49/56/97/739495697.db2.gz DWZHGDRNKCGYJZ-BXUZGUMPSA-N 1 3 287.835 1.680 10 30 CDEEHO C#CCC1(O)CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000880481026 741269283 /nfs/dbraw/zinc/26/92/83/741269283.db2.gz LHHGUVOPZXAMKR-AWEZNQCLSA-N 1 3 250.386 1.321 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000876873603 741641400 /nfs/dbraw/zinc/64/14/00/741641400.db2.gz LKCBHCFUKJHYMB-GFCCVEGCSA-N 1 3 275.824 1.503 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000876809620 739653268 /nfs/dbraw/zinc/65/32/68/739653268.db2.gz VPPTWKRZWQGTMZ-LLVKDONJSA-N 1 3 253.733 1.554 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877125520 742802370 /nfs/dbraw/zinc/80/23/70/742802370.db2.gz OJAAWADRSHFDOK-GHMZBOCLSA-N 1 3 259.781 1.186 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001567103273 1168046995 /nfs/dbraw/zinc/04/69/95/1168046995.db2.gz YQAQRZDJQZVWAE-CABCVRRESA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CCC2CC2)CC1 ZINC001266362508 894569623 /nfs/dbraw/zinc/56/96/23/894569623.db2.gz KFLJVKFWQHBVNV-UHFFFAOYSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CCC2CC2)CC1 ZINC001266362508 894569640 /nfs/dbraw/zinc/56/96/40/894569640.db2.gz KFLJVKFWQHBVNV-UHFFFAOYSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001266974478 896474625 /nfs/dbraw/zinc/47/46/25/896474625.db2.gz FGHPWEDWMAWUGK-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001567549624 1168847157 /nfs/dbraw/zinc/84/71/57/1168847157.db2.gz PIYRFIIPAPWBFF-MRXNPFEDSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001567549624 1168847170 /nfs/dbraw/zinc/84/71/70/1168847170.db2.gz PIYRFIIPAPWBFF-MRXNPFEDSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001267588301 898585793 /nfs/dbraw/zinc/58/57/93/898585793.db2.gz CHTLTPLSNZKPSW-GJZGRUSLSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001267588301 898585802 /nfs/dbraw/zinc/58/58/02/898585802.db2.gz CHTLTPLSNZKPSW-GJZGRUSLSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCN(CCC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001481144016 898971857 /nfs/dbraw/zinc/97/18/57/898971857.db2.gz ROYGZEJYPPBWKX-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCC[NH2+][C@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001267805100 899774567 /nfs/dbraw/zinc/77/45/67/899774567.db2.gz DQFCNRUQSDATRJ-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001268004823 900257513 /nfs/dbraw/zinc/25/75/13/900257513.db2.gz IHKLKGBKGCBYLR-CVEARBPZSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001268662049 902916633 /nfs/dbraw/zinc/91/66/33/902916633.db2.gz VGTCEDAIZOCMCJ-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CCCN1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567914184 1169065037 /nfs/dbraw/zinc/06/50/37/1169065037.db2.gz ARFLMWKDCMKRHT-HOTGVXAUSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCCN1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567914184 1169065049 /nfs/dbraw/zinc/06/50/49/1169065049.db2.gz ARFLMWKDCMKRHT-HOTGVXAUSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001482678859 908248472 /nfs/dbraw/zinc/24/84/72/908248472.db2.gz MOVMZJGKOFLRHE-HUUCEWRRSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001484145608 915459576 /nfs/dbraw/zinc/45/95/76/915459576.db2.gz XKRIIYOWCHJRBJ-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCN1CCC ZINC001494987204 926609169 /nfs/dbraw/zinc/60/91/69/926609169.db2.gz HQKUKWCFLMJJSM-ZIAGYGMSSA-N 1 3 267.417 1.531 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001488735099 926670211 /nfs/dbraw/zinc/67/02/11/926670211.db2.gz JGDMUXOCZFTAOB-XHSDSOJGSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001488916571 926743648 /nfs/dbraw/zinc/74/36/48/926743648.db2.gz XWXMJRZTVCMPEM-LSDHHAIUSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001488960070 926753732 /nfs/dbraw/zinc/75/37/32/926753732.db2.gz FEVMWWKXAUEAFV-ZNMIVQPWSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001275405528 931775356 /nfs/dbraw/zinc/77/53/56/931775356.db2.gz VMFYGSVHZOHXID-ZIAGYGMSSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001277060348 941892369 /nfs/dbraw/zinc/89/23/69/941892369.db2.gz NATROGHKYSVBOM-AWEZNQCLSA-N 1 3 279.428 1.674 10 30 CDEEHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001332436800 942417056 /nfs/dbraw/zinc/41/70/56/942417056.db2.gz HXPAGGJYKRZTSA-UONOGXRCSA-N 1 3 279.428 1.177 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001281450678 942578234 /nfs/dbraw/zinc/57/82/34/942578234.db2.gz NWYGUVRBQCBWJD-OCCSQVGLSA-N 1 3 276.384 1.355 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001282140355 942667886 /nfs/dbraw/zinc/66/78/86/942667886.db2.gz ILYACMIYLITMHJ-STQMWFEESA-N 1 3 267.417 1.530 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001283080566 942818743 /nfs/dbraw/zinc/81/87/43/942818743.db2.gz OLLOYTFPKQIXRI-RBSFLKMASA-N 1 3 281.444 1.633 10 30 CDEEHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001264123097 944083592 /nfs/dbraw/zinc/08/35/92/944083592.db2.gz ZKWUHIYORJTHDD-AWEZNQCLSA-N 1 3 288.395 1.336 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001265357206 944357273 /nfs/dbraw/zinc/35/72/73/944357273.db2.gz WAFLIYUHIAWEFJ-OAHLLOKOSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[N@@H+](C)CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001265978560 944611411 /nfs/dbraw/zinc/61/14/11/944611411.db2.gz QLCMRIBZSJPOSS-UHFFFAOYSA-N 1 3 289.423 1.986 10 30 CDEEHO C=CC[N@H+](C)CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001265978560 944611415 /nfs/dbraw/zinc/61/14/15/944611415.db2.gz QLCMRIBZSJPOSS-UHFFFAOYSA-N 1 3 289.423 1.986 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001279036244 948628415 /nfs/dbraw/zinc/62/84/15/948628415.db2.gz ZDGCHMCUHDUAPY-ZDUSSCGKSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001328441540 955296557 /nfs/dbraw/zinc/29/65/57/955296557.db2.gz VSPXKIVQLHFWCZ-STQMWFEESA-N 1 3 255.406 1.243 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001492176351 955668003 /nfs/dbraw/zinc/66/80/03/955668003.db2.gz XGZXMKKORPDWBX-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001492176351 955668011 /nfs/dbraw/zinc/66/80/11/955668011.db2.gz XGZXMKKORPDWBX-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN(C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001492359049 955828669 /nfs/dbraw/zinc/82/86/69/955828669.db2.gz NUFMSMQBXPWEBO-UHFFFAOYSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001492450390 955894402 /nfs/dbraw/zinc/89/44/02/955894402.db2.gz PKAHSOAZWLBWAZ-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001492450390 955894410 /nfs/dbraw/zinc/89/44/10/955894410.db2.gz PKAHSOAZWLBWAZ-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCCC[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001330001961 956230017 /nfs/dbraw/zinc/23/00/17/956230017.db2.gz ZBAHKNWQHWLZST-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001480727146 956646598 /nfs/dbraw/zinc/64/65/98/956646598.db2.gz QMANETAAXXJDHN-HUUCEWRRSA-N 1 3 299.434 1.775 10 30 CDEEHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001480727146 956646608 /nfs/dbraw/zinc/64/66/08/956646608.db2.gz QMANETAAXXJDHN-HUUCEWRRSA-N 1 3 299.434 1.775 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001316773552 957008034 /nfs/dbraw/zinc/00/80/34/957008034.db2.gz WNQKVFXDXFZTKI-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001317206056 957344422 /nfs/dbraw/zinc/34/44/22/957344422.db2.gz RANQLDRWCNGLAO-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001317206056 957344430 /nfs/dbraw/zinc/34/44/30/957344430.db2.gz RANQLDRWCNGLAO-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO CC#CC[NH2+]C[C@@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001318726478 958245690 /nfs/dbraw/zinc/24/56/90/958245690.db2.gz IMZXFUZJCMFLKS-MRXNPFEDSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCCN1CC ZINC001321419331 959776915 /nfs/dbraw/zinc/77/69/15/959776915.db2.gz OVTLZHRWCWTMPA-LFAOLKIESA-N 1 3 279.428 1.699 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001321722321 959923026 /nfs/dbraw/zinc/92/30/26/959923026.db2.gz FDMHBCZJRXWCQK-LLVKDONJSA-N 1 3 264.373 1.321 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001371618037 972568447 /nfs/dbraw/zinc/56/84/47/972568447.db2.gz QXUSDNHHCHAKEZ-JSGCOSHPSA-N 1 3 299.846 1.519 10 30 CDEEHO C=CC[N@@H+](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001498456065 973924489 /nfs/dbraw/zinc/92/44/89/973924489.db2.gz IXQFZKOHVNZPCJ-AWEZNQCLSA-N 1 3 289.423 1.984 10 30 CDEEHO C=CC[N@H+](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001498456065 973924501 /nfs/dbraw/zinc/92/45/01/973924501.db2.gz IXQFZKOHVNZPCJ-AWEZNQCLSA-N 1 3 289.423 1.984 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001502398481 974734068 /nfs/dbraw/zinc/73/40/68/974734068.db2.gz BGWVWSVCVVVXTJ-UHFFFAOYSA-N 1 3 293.455 1.666 10 30 CDEEHO C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001502513629 974745598 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C=CC[NH2+]C1(CC)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001570261095 1170123342 /nfs/dbraw/zinc/12/33/42/1170123342.db2.gz XHMOVWJAUHNUBD-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001571689082 1170525278 /nfs/dbraw/zinc/52/52/78/1170525278.db2.gz JXEXYJUJCJOBHK-INIZCTEOSA-N 1 3 293.455 1.897 10 30 CDEEHO CCC[NH+]1CCC(N(C)C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594440646 342907032 /nfs/dbraw/zinc/90/70/32/342907032.db2.gz HICFTWLJYJANRR-HNNXBMFYSA-N 1 3 294.443 1.730 10 30 CDEEHO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](N)CCCCC#N ZINC000594441866 342907858 /nfs/dbraw/zinc/90/78/58/342907858.db2.gz XLPSIKODBBTZBY-UONOGXRCSA-N 1 3 280.416 1.388 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000594450045 342909501 /nfs/dbraw/zinc/90/95/01/342909501.db2.gz RKLMUWLHRLTGGY-AWEZNQCLSA-N 1 3 274.368 1.173 10 30 CDEEHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600719899 342244560 /nfs/dbraw/zinc/24/45/60/342244560.db2.gz 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/nfs/dbraw/zinc/16/14/01/198161401.db2.gz HILHZNPNXNUDKC-KRWDZBQOSA-N 1 3 285.391 1.965 10 30 CDEEHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(CC#N)cc1 ZINC000568632229 371228657 /nfs/dbraw/zinc/22/86/57/371228657.db2.gz MUXMRJRHODLRRJ-APHBMKBZSA-N 1 3 273.380 1.595 10 30 CDEEHO C#CCC[NH2+][C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001662349525 1172534570 /nfs/dbraw/zinc/53/45/70/1172534570.db2.gz DBYLMVZUUDHUHL-HUUCEWRRSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001663201339 1172656154 /nfs/dbraw/zinc/65/61/54/1172656154.db2.gz PXWQQGWCBCJTFR-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001663201339 1172656165 /nfs/dbraw/zinc/65/61/65/1172656165.db2.gz PXWQQGWCBCJTFR-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[C@@]1(C(=O)NCCN2CCC(C)CC2)CCC[NH2+]1 ZINC000662678572 413295661 /nfs/dbraw/zinc/29/56/61/413295661.db2.gz GISVFWPBHKVBBJ-INIZCTEOSA-N 1 3 279.428 1.533 10 30 CDEEHO C=CC[C@@]1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000662691268 413322379 /nfs/dbraw/zinc/32/23/79/413322379.db2.gz IPTGKPWKVBQEGP-WBVHZDCISA-N 1 3 291.439 1.772 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@H](C)N(C)C2CC2)CCC[NH2+]1 ZINC000662712831 413362731 /nfs/dbraw/zinc/36/27/31/413362731.db2.gz LQRBOKBBWXXTRD-SWLSCSKDSA-N 1 3 265.401 1.284 10 30 CDEEHO NCC#Cc1ccsc1C[N@H+](CCO)C1CCCC1 ZINC000043684174 175092688 /nfs/dbraw/zinc/09/26/88/175092688.db2.gz ADMQBESQAWVSRC-UHFFFAOYSA-N 1 3 278.421 1.795 10 30 CDEEHO NCC#Cc1ccsc1C[N@@H+](CCO)C1CCCC1 ZINC000043684174 175092690 /nfs/dbraw/zinc/09/26/90/175092690.db2.gz ADMQBESQAWVSRC-UHFFFAOYSA-N 1 3 278.421 1.795 10 30 CDEEHO C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001666031616 1173102521 /nfs/dbraw/zinc/10/25/21/1173102521.db2.gz DYEOBTNJOWFPLY-GDBMZVCRSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417543105 264436442 /nfs/dbraw/zinc/43/64/42/264436442.db2.gz UHSPJSLBUYWCPW-UKRRQHHQSA-N 1 3 294.443 1.324 10 30 CDEEHO C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001667426488 1173265408 /nfs/dbraw/zinc/26/54/08/1173265408.db2.gz ONCHNKSDJFIXCH-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CC[N@H+](C)CCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001667426488 1173265413 /nfs/dbraw/zinc/26/54/13/1173265413.db2.gz ONCHNKSDJFIXCH-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[N@@H+](C)CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001673470807 1173860987 /nfs/dbraw/zinc/86/09/87/1173860987.db2.gz AVVPCDLLUGLCIB-UHFFFAOYSA-N 1 3 295.471 1.768 10 30 CDEEHO C#CCC[N@H+](C)CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001673470807 1173860992 /nfs/dbraw/zinc/86/09/92/1173860992.db2.gz AVVPCDLLUGLCIB-UHFFFAOYSA-N 1 3 295.471 1.768 10 30 CDEEHO C=CCN(C)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001700976370 1177221806 /nfs/dbraw/zinc/22/18/06/1177221806.db2.gz QWMAQHGBYIDIBF-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCN(C)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001700976370 1177221814 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ZINC001688946283 1175074581 /nfs/dbraw/zinc/07/45/81/1175074581.db2.gz VYJMKKMYSDDKBZ-BZUAXINKSA-N 1 3 293.455 1.779 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001724586383 1158579081 /nfs/dbraw/zinc/57/90/81/1158579081.db2.gz GIIWHKLKRZCNIS-LSDHHAIUSA-N 1 3 291.439 1.178 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001699933688 1158848427 /nfs/dbraw/zinc/84/84/27/1158848427.db2.gz JABRUKXJIGCTHP-GJZGRUSLSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001567016758 1168511688 /nfs/dbraw/zinc/51/16/88/1168511688.db2.gz MFIVJGLECSUOPS-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567400935 1168734697 /nfs/dbraw/zinc/73/46/97/1168734697.db2.gz WQECTKIPSGYJJA-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001567400935 1168734704 /nfs/dbraw/zinc/73/47/04/1168734704.db2.gz WQECTKIPSGYJJA-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001568194589 1169170664 /nfs/dbraw/zinc/17/06/64/1169170664.db2.gz ZYGSLJCIZKVIGZ-LSDHHAIUSA-N 1 3 281.444 1.636 10 30 CDEEHO C=CCC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001571689082 1170525274 /nfs/dbraw/zinc/52/52/74/1170525274.db2.gz JXEXYJUJCJOBHK-INIZCTEOSA-N 1 3 293.455 1.897 10 30 CDEEHO C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001668062064 1173365587 /nfs/dbraw/zinc/36/55/87/1173365587.db2.gz ZBLRLXCDJNUCRN-UONOGXRCSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001671805561 1173713454 /nfs/dbraw/zinc/71/34/54/1173713454.db2.gz ULEVGLWJEAFCKL-MRXNPFEDSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCN1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001676817442 1174277075 /nfs/dbraw/zinc/27/70/75/1174277075.db2.gz YHPJZTKPYATLRX-GDBMZVCRSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699345814 1176279037 /nfs/dbraw/zinc/27/90/37/1176279037.db2.gz 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C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001567738112 1168941323 /nfs/dbraw/zinc/94/13/23/1168941323.db2.gz MJSIVVWCQVFZLV-OAHLLOKOSA-N 1 3 293.455 1.378 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001567738112 1168941330 /nfs/dbraw/zinc/94/13/30/1168941330.db2.gz MJSIVVWCQVFZLV-OAHLLOKOSA-N 1 3 293.455 1.378 10 30 CDEEHO C=C(C)C[NH2+]CCN(CC)C(=O)C1(N(C)C)CCC1 ZINC001268453838 902118686 /nfs/dbraw/zinc/11/86/86/902118686.db2.gz NKVMTBJCTQQHLM-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001268689236 902971701 /nfs/dbraw/zinc/97/17/01/902971701.db2.gz SWDRDXYQXVQZJS-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269268252 903632356 /nfs/dbraw/zinc/63/23/56/903632356.db2.gz JZPKLRPTDDQRFF-CYBMUJFWSA-N 1 3 253.390 1.047 10 30 CDEEHO C#CCC[NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001269588712 903954164 /nfs/dbraw/zinc/95/41/64/903954164.db2.gz UHJNWUOQCZNTGV-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CC[NH+]1CCC(CCNC(=O)CN(C)C(C)C)CC1 ZINC001270158675 904402298 /nfs/dbraw/zinc/40/22/98/904402298.db2.gz WYABKLLNYRTURI-UHFFFAOYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)Cc1nc[nH]c1C ZINC001482399422 905299060 /nfs/dbraw/zinc/29/90/60/905299060.db2.gz YOVFBAZVNKVQMS-AWEZNQCLSA-N 1 3 292.427 1.957 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483007486 908684442 /nfs/dbraw/zinc/68/44/42/908684442.db2.gz AKPJDAPHFYWUCO-MHKRFPNSSA-N 1 3 277.412 1.002 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001483007486 908684449 /nfs/dbraw/zinc/68/44/49/908684449.db2.gz AKPJDAPHFYWUCO-MHKRFPNSSA-N 1 3 277.412 1.002 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001483135555 909779869 /nfs/dbraw/zinc/77/98/69/909779869.db2.gz IWTZUQNNCOXFQX-UONOGXRCSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001483352584 910955205 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CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001272844801 919902840 /nfs/dbraw/zinc/90/28/40/919902840.db2.gz LISFHBMXLYMJTJ-KBPBESRZSA-N 1 3 267.417 1.080 10 30 CDEEHO C=C(C)C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001486466285 921040949 /nfs/dbraw/zinc/04/09/49/921040949.db2.gz IETKMLLPELCBFC-UHFFFAOYSA-N 1 3 279.428 1.626 10 30 CDEEHO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001489350061 926877711 /nfs/dbraw/zinc/87/77/11/926877711.db2.gz NXQRWSMPQKNOSE-LSDHHAIUSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001489350061 926877723 /nfs/dbraw/zinc/87/77/23/926877723.db2.gz NXQRWSMPQKNOSE-LSDHHAIUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001568476934 1169309736 /nfs/dbraw/zinc/30/97/36/1169309736.db2.gz QJGKUHVNHPVWQN-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001568476934 1169309744 /nfs/dbraw/zinc/30/97/44/1169309744.db2.gz QJGKUHVNHPVWQN-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C(C)C ZINC001319912707 931490987 /nfs/dbraw/zinc/49/09/87/931490987.db2.gz YDFCHVAHHPUOFK-GJZGRUSLSA-N 1 3 281.444 1.776 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001275114975 931668227 /nfs/dbraw/zinc/66/82/27/931668227.db2.gz MMUXXERNTZRSJX-HNNXBMFYSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001275114975 931668231 /nfs/dbraw/zinc/66/82/31/931668231.db2.gz MMUXXERNTZRSJX-HNNXBMFYSA-N 1 3 291.439 1.417 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001277046307 941863374 /nfs/dbraw/zinc/86/33/74/941863374.db2.gz NAUUDNMQQITDBF-RBSFLKMASA-N 1 3 279.428 1.389 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001277258994 942251946 /nfs/dbraw/zinc/25/19/46/942251946.db2.gz GLKUGUBFHGFGPS-BETUJISGSA-N 1 3 265.401 1.284 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001280374335 942431796 /nfs/dbraw/zinc/43/17/96/942431796.db2.gz TYXRJPNEEZNYEI-KKUMJFAQSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CC[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001282274274 942685312 /nfs/dbraw/zinc/68/53/12/942685312.db2.gz GJEKIJWWJYSKBS-UHFFFAOYSA-N 1 3 279.428 1.319 10 30 CDEEHO CC#CCN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001283611871 942946055 /nfs/dbraw/zinc/94/60/55/942946055.db2.gz KUZOUYBZZOKHGX-QLFBSQMISA-N 1 3 279.428 1.177 10 30 CDEEHO CC#CCN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001283611871 942946062 /nfs/dbraw/zinc/94/60/62/942946062.db2.gz KUZOUYBZZOKHGX-QLFBSQMISA-N 1 3 279.428 1.177 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001279036243 948627615 /nfs/dbraw/zinc/62/76/15/948627615.db2.gz ZDGCHMCUHDUAPY-CYBMUJFWSA-N 1 3 267.417 1.080 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001279039735 948633343 /nfs/dbraw/zinc/63/33/43/948633343.db2.gz YQKIJHKEUFQJPK-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001569018818 1169597722 /nfs/dbraw/zinc/59/77/22/1169597722.db2.gz UHIHURJZKHKDGY-OLZOCXBDSA-N 1 3 255.406 1.387 10 30 CDEEHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001278505412 949037674 /nfs/dbraw/zinc/03/76/74/949037674.db2.gz RGLIAYUOSXNPNA-MRXNPFEDSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001278556868 950035969 /nfs/dbraw/zinc/03/59/69/950035969.db2.gz YIOKFHRGSVQABF-INIZCTEOSA-N 1 3 290.411 1.747 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569145172 1169688442 /nfs/dbraw/zinc/68/84/42/1169688442.db2.gz CTUPOFKAZHAQES-CQSZACIVSA-N 1 3 293.455 1.731 10 30 CDEEHO CC#CCN1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001327162208 954742276 /nfs/dbraw/zinc/74/22/76/954742276.db2.gz HZTBFIAJIJHTPA-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001328354198 955272150 /nfs/dbraw/zinc/27/21/50/955272150.db2.gz POGXFGNDFHYNRH-KBPBESRZSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CC[NH2+][C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001491599576 955306529 /nfs/dbraw/zinc/30/65/29/955306529.db2.gz ADBBNJOOYPRCGZ-KGLIPLIRSA-N 1 3 267.417 1.531 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480732816 956709230 /nfs/dbraw/zinc/70/92/30/956709230.db2.gz VWXAJOWZIIWBJC-CVEARBPZSA-N 1 3 293.455 1.519 10 30 CDEEHO C#CCC[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001318932097 958311164 /nfs/dbraw/zinc/31/11/64/958311164.db2.gz XMBZKCGPIBPMAB-UHFFFAOYSA-N 1 3 291.439 1.324 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CCC=C)CC1 ZINC001322308509 960177690 /nfs/dbraw/zinc/17/76/90/960177690.db2.gz XXCMTTXYPSATBX-OAHLLOKOSA-N 1 3 291.439 1.344 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCC=C)CC1 ZINC001322308509 960177697 /nfs/dbraw/zinc/17/76/97/960177697.db2.gz XXCMTTXYPSATBX-OAHLLOKOSA-N 1 3 291.439 1.344 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001344400646 964296859 /nfs/dbraw/zinc/29/68/59/964296859.db2.gz SULZGHMYLXWNRD-MRXNPFEDSA-N 1 3 287.407 1.632 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH+](CC)CC)CC1 ZINC001347659872 965644562 /nfs/dbraw/zinc/64/45/62/965644562.db2.gz KQPNCIFQJVQDMH-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001354645849 968823721 /nfs/dbraw/zinc/82/37/21/968823721.db2.gz UQGCQTLABSKJSJ-GHMZBOCLSA-N 1 3 275.343 1.031 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001495685891 972594683 /nfs/dbraw/zinc/59/46/83/972594683.db2.gz XROKBQWUKAANQB-CYBMUJFWSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001503015773 974809682 /nfs/dbraw/zinc/80/96/82/974809682.db2.gz WQVJKYLCCYTMLV-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001503015773 974809685 /nfs/dbraw/zinc/80/96/85/974809685.db2.gz WQVJKYLCCYTMLV-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCF)CC1 ZINC001505760786 974985122 /nfs/dbraw/zinc/98/51/22/974985122.db2.gz OZUAKIPYDPYURK-KBPBESRZSA-N 1 3 297.418 1.174 10 30 CDEEHO C=CCN1CC=C(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001508228770 975645546 /nfs/dbraw/zinc/64/55/46/975645546.db2.gz XWQLZFDWLIKFME-UHFFFAOYSA-N 1 3 265.401 1.263 10 30 CDEEHO C=CCN1CC=C(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001508228770 975645551 /nfs/dbraw/zinc/64/55/51/975645551.db2.gz XWQLZFDWLIKFME-UHFFFAOYSA-N 1 3 265.401 1.263 10 30 CDEEHO C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001390718718 976453419 /nfs/dbraw/zinc/45/34/19/976453419.db2.gz YWSQBBSUMXITAA-QWHCGFSZSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001390718718 976453423 /nfs/dbraw/zinc/45/34/23/976453423.db2.gz YWSQBBSUMXITAA-QWHCGFSZSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001393905374 977953942 /nfs/dbraw/zinc/95/39/42/977953942.db2.gz LLPRUKSNSVETDJ-CPCZMJQVSA-N 1 3 285.819 1.175 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001393905374 977953947 /nfs/dbraw/zinc/95/39/47/977953947.db2.gz LLPRUKSNSVETDJ-CPCZMJQVSA-N 1 3 285.819 1.175 10 30 CDEEHO C=CCC[N@@H+](C)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001570736373 1170261227 /nfs/dbraw/zinc/26/12/27/1170261227.db2.gz WNWXXPIYUBPDNM-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@H+](C)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001570736373 1170261229 /nfs/dbraw/zinc/26/12/29/1170261229.db2.gz WNWXXPIYUBPDNM-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001571023432 1170330296 /nfs/dbraw/zinc/33/02/96/1170330296.db2.gz QKCHDNVCZCAOBP-XHSDSOJGSA-N 1 3 291.439 1.177 10 30 CDEEHO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001571023432 1170330303 /nfs/dbraw/zinc/33/03/03/1170330303.db2.gz QKCHDNVCZCAOBP-XHSDSOJGSA-N 1 3 291.439 1.177 10 30 CDEEHO C=CCCCN1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001656102666 1171764440 /nfs/dbraw/zinc/76/44/40/1171764440.db2.gz OLAJOQFOWYYNDH-HNNXBMFYSA-N 1 3 291.439 1.581 10 30 CDEEHO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594437259 342898981 /nfs/dbraw/zinc/89/89/81/342898981.db2.gz VFFZBVUHELCZCJ-ZIAGYGMSSA-N 1 3 280.416 1.340 10 30 CDEEHO CC1CCN(CCC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600716523 342244319 /nfs/dbraw/zinc/24/43/19/342244319.db2.gz YINVXXIOODSXPF-OAHLLOKOSA-N 1 3 279.428 1.753 10 30 CDEEHO CC1CC[NH+](CCCNC[C@H](O)CC2(C#N)CC2)CC1 ZINC000600716523 342244320 /nfs/dbraw/zinc/24/43/20/342244320.db2.gz YINVXXIOODSXPF-OAHLLOKOSA-N 1 3 279.428 1.753 10 30 CDEEHO N#CC1(C[C@H](O)CNCCC[NH+]2CCCCC2)CC1 ZINC000600716505 342244404 /nfs/dbraw/zinc/24/44/04/342244404.db2.gz YEARBSJXPSMXMZ-AWEZNQCLSA-N 1 3 265.401 1.507 10 30 CDEEHO CC(C)[NH+]1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594436746 342900243 /nfs/dbraw/zinc/90/02/43/342900243.db2.gz QHMYDFIHPWGFJW-CQSZACIVSA-N 1 3 280.416 1.387 10 30 CDEEHO C=CCN(CC=C)[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)C(C)C ZINC000638068072 367969888 /nfs/dbraw/zinc/96/98/88/367969888.db2.gz GISVPSZMGYVICB-JKSUJKDBSA-N 1 3 291.439 1.849 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001661926161 1172467480 /nfs/dbraw/zinc/46/74/80/1172467480.db2.gz SNCDZOWAQXKBGY-GJZGRUSLSA-N 1 3 297.418 1.270 10 30 CDEEHO C[NH+](C)CCCC1CCN(CCOCCC#N)CC1 ZINC000339060408 391248807 /nfs/dbraw/zinc/24/88/07/391248807.db2.gz RLJVMGWYFLQPOU-UHFFFAOYSA-N 1 3 267.417 1.970 10 30 CDEEHO C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001664394948 1172849137 /nfs/dbraw/zinc/84/91/37/1172849137.db2.gz JVUXCZVXJGSYQD-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO CN[C@](C)(C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000045182201 175325307 /nfs/dbraw/zinc/32/53/07/175325307.db2.gz XJNOMMJBGZITIP-AWEZNQCLSA-N 1 3 252.406 1.152 10 30 CDEEHO C[NH+](C)CC1CCN(CC[C@](C)(C#N)NC2CC2)CC1 ZINC000045182215 175325455 /nfs/dbraw/zinc/32/54/55/175325455.db2.gz CZWVKUCFVUHDAB-MRXNPFEDSA-N 1 3 278.444 1.684 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001666172091 1173114770 /nfs/dbraw/zinc/11/47/70/1173114770.db2.gz BESLHNBZUVDXFC-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001667584454 1173293588 /nfs/dbraw/zinc/29/35/88/1173293588.db2.gz ANSACHJHHGINTR-JKSUJKDBSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001667584454 1173293593 /nfs/dbraw/zinc/29/35/93/1173293593.db2.gz ANSACHJHHGINTR-JKSUJKDBSA-N 1 3 291.439 1.417 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC001673206372 1173836224 /nfs/dbraw/zinc/83/62/24/1173836224.db2.gz TVHGWZOKTTWUHK-CQSZACIVSA-N 1 3 281.444 1.777 10 30 CDEEHO CN1CCC[C@@H]2C[N@H+](CCOCCC#N)CC[C@H]21 ZINC000339020157 327008070 /nfs/dbraw/zinc/00/80/70/327008070.db2.gz DEXQYVKTUBALAK-ZIAGYGMSSA-N 1 3 251.374 1.333 10 30 CDEEHO CN1CCC[C@@H]2C[N@@H+](CCOCCC#N)CC[C@H]21 ZINC000339020157 327008071 /nfs/dbraw/zinc/00/80/71/327008071.db2.gz DEXQYVKTUBALAK-ZIAGYGMSSA-N 1 3 251.374 1.333 10 30 CDEEHO C[C@@H]1CCC[C@@](CNC(=[NH2+])N2CCO[C@H](C)C2)(N(C)C)C1 ZINC000262474000 330015867 /nfs/dbraw/zinc/01/58/67/330015867.db2.gz PMWCUDJWCRQKSJ-IIAWOOMASA-N 1 3 296.459 1.532 10 30 CDEEHO CC1(C)COC[C@H]1NCC#CC[NH2+][C@@H]1COCC1(C)C ZINC000451813267 331043490 /nfs/dbraw/zinc/04/34/90/331043490.db2.gz QNOURPWILJXYPK-ZIAGYGMSSA-N 1 3 280.412 1.019 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001699404616 1176369774 /nfs/dbraw/zinc/36/97/74/1176369774.db2.gz GXIPHHKIPIDNPV-UONOGXRCSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001483603506 1160954303 /nfs/dbraw/zinc/95/43/03/1160954303.db2.gz ZIIQCVSPEHVHHO-HNNXBMFYSA-N 1 3 290.411 1.711 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001731497008 1182421034 /nfs/dbraw/zinc/42/10/34/1182421034.db2.gz CEBXEWOFNCOAAE-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO [NH3+]CC#Cc1cc(CN2CCCC[C@@H]2CCO)ccc1F ZINC000049608686 527147414 /nfs/dbraw/zinc/14/74/14/527147414.db2.gz HEBXEAJCWWYBCN-MRXNPFEDSA-N 1 3 290.382 1.873 10 30 CDEEHO NCC#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000049608678 527149002 /nfs/dbraw/zinc/14/90/02/527149002.db2.gz YAAYPZXRRZEYLB-QGZVFWFLSA-N 1 3 272.392 1.734 10 30 CDEEHO NCC#Cc1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000049608678 527149006 /nfs/dbraw/zinc/14/90/06/527149006.db2.gz YAAYPZXRRZEYLB-QGZVFWFLSA-N 1 3 272.392 1.734 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000900664325 623344474 /nfs/dbraw/zinc/34/44/74/623344474.db2.gz JDXUEGUFIYUMDZ-CQSZACIVSA-N 1 3 265.401 1.189 10 30 CDEEHO N#CC1CCC(CN2CCCO[C@H](C[NH3+])C2)CC1 ZINC000903458573 625994437 /nfs/dbraw/zinc/99/44/37/625994437.db2.gz DNPBGNAENUFLCX-JXQTWKCFSA-N 1 3 251.374 1.366 10 30 CDEEHO C#CCN(C(=O)N[C@H](C)CC[NH+](C)C)C1CCN(C)CC1 ZINC000915152563 631659411 /nfs/dbraw/zinc/65/94/11/631659411.db2.gz DOGAMYHCFGJVGM-CQSZACIVSA-N 1 3 294.443 1.066 10 30 CDEEHO CC#CCN1CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001266896206 1158967222 /nfs/dbraw/zinc/96/72/22/1158967222.db2.gz XWIQMFRULMCZGB-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001275732937 1166703395 /nfs/dbraw/zinc/70/33/95/1166703395.db2.gz MLALWTQSEIFTHN-OAHLLOKOSA-N 1 3 295.471 1.670 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001661817818 1172450547 /nfs/dbraw/zinc/45/05/47/1172450547.db2.gz CBAJEPFEJHVMBU-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001691989249 1175663934 /nfs/dbraw/zinc/66/39/34/1175663934.db2.gz CHTLTPLSNZKPSW-HUUCEWRRSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001691989249 1175663936 /nfs/dbraw/zinc/66/39/36/1175663936.db2.gz CHTLTPLSNZKPSW-HUUCEWRRSA-N 1 3 279.428 1.130 10 30 CDEEHO C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001698861186 1175967544 /nfs/dbraw/zinc/96/75/44/1175967544.db2.gz NAJBJAFGWLGAHY-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001699362496 1176317134 /nfs/dbraw/zinc/31/71/34/1176317134.db2.gz AYCGFSJMWUDVIY-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001699423140 1176387272 /nfs/dbraw/zinc/38/72/72/1176387272.db2.gz VGTCEDAIZOCMCJ-KGLIPLIRSA-N 1 3 267.417 1.389 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001700187372 1176790261 /nfs/dbraw/zinc/79/02/61/1176790261.db2.gz QVYJHVKJQZOIDY-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001700187372 1176790270 /nfs/dbraw/zinc/79/02/70/1176790270.db2.gz QVYJHVKJQZOIDY-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CC[NH2+]C1CCC(N(C)C(=O)CN(C)CCC)CC1 ZINC001700438069 1176928865 /nfs/dbraw/zinc/92/88/65/1176928865.db2.gz UQZODRQNXCIGLO-UHFFFAOYSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001700440783 1176930509 /nfs/dbraw/zinc/93/05/09/1176930509.db2.gz YDNLCFVZUKLSBM-HNNXBMFYSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001700685575 1177074159 /nfs/dbraw/zinc/07/41/59/1177074159.db2.gz NFJNIQRNRXYHRX-GFCCVEGCSA-N 1 3 278.400 1.711 10 30 CDEEHO C#CCC[NH2+]C1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001701023898 1177243775 /nfs/dbraw/zinc/24/37/75/1177243775.db2.gz SQZYTKRPSQYUAC-UHFFFAOYSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001707080928 1177944329 /nfs/dbraw/zinc/94/43/29/1177944329.db2.gz AHAGRPVGCKRZFV-BZUAXINKSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[N@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001707379324 1178005335 /nfs/dbraw/zinc/00/53/35/1178005335.db2.gz GQXKCLQAXQKXRT-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001707379324 1178005329 /nfs/dbraw/zinc/00/53/29/1178005329.db2.gz GQXKCLQAXQKXRT-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001707446313 1178051838 /nfs/dbraw/zinc/05/18/38/1178051838.db2.gz PAFVGGZBSWZQLL-ZFWWWQNUSA-N 1 3 290.411 1.888 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001713053410 1178332016 /nfs/dbraw/zinc/33/20/16/1178332016.db2.gz VUWAYDIRARMGEK-HNNXBMFYSA-N 1 3 281.444 1.681 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC=C)C2)CC1 ZINC001714023031 1178932916 /nfs/dbraw/zinc/93/29/16/1178932916.db2.gz YEJVWAWVWJSWMI-IYBDPMFKSA-N 1 3 289.423 1.145 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001714277578 1179061636 /nfs/dbraw/zinc/06/16/36/1179061636.db2.gz BZVGAHFRCXIPRA-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCCC1 ZINC001714493096 1179168370 /nfs/dbraw/zinc/16/83/70/1179168370.db2.gz HEOOPIMPTKIIEK-HNNXBMFYSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001715007185 1179504331 /nfs/dbraw/zinc/50/43/31/1179504331.db2.gz AXJCIEHNUMMKPT-GJZGRUSLSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001715318920 1179621008 /nfs/dbraw/zinc/62/10/08/1179621008.db2.gz ZEWIHERUXFVDOC-KBPBESRZSA-N 1 3 288.395 1.192 10 30 CDEEHO C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001715711995 1179771871 /nfs/dbraw/zinc/77/18/71/1179771871.db2.gz GSTQZQUJRSIOKE-GJZGRUSLSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001716532134 1180271585 /nfs/dbraw/zinc/27/15/85/1180271585.db2.gz BOICPGJXBLZUNG-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001716975444 1180488074 /nfs/dbraw/zinc/48/80/74/1180488074.db2.gz NHIKSSPOAADQDC-UONOGXRCSA-N 1 3 265.401 1.095 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001717336057 1180620795 /nfs/dbraw/zinc/62/07/95/1180620795.db2.gz NCRUZCZXQUPFPT-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001717336057 1180620801 /nfs/dbraw/zinc/62/08/01/1180620801.db2.gz NCRUZCZXQUPFPT-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)CCC ZINC001717374477 1180634945 /nfs/dbraw/zinc/63/49/45/1180634945.db2.gz OSGUCTCKPFJRFK-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)CCC ZINC001717374477 1180634948 /nfs/dbraw/zinc/63/49/48/1180634948.db2.gz OSGUCTCKPFJRFK-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001717373038 1180636108 /nfs/dbraw/zinc/63/61/08/1180636108.db2.gz GPGSNVACPZKAER-HNNXBMFYSA-N 1 3 290.411 1.841 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001717373038 1180636110 /nfs/dbraw/zinc/63/61/10/1180636110.db2.gz GPGSNVACPZKAER-HNNXBMFYSA-N 1 3 290.411 1.841 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001717376715 1180637954 /nfs/dbraw/zinc/63/79/54/1180637954.db2.gz WTMJGQVWENGMSU-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001717376715 1180637957 /nfs/dbraw/zinc/63/79/57/1180637957.db2.gz WTMJGQVWENGMSU-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO CC#CCN[C@H](C)CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001717755818 1180830859 /nfs/dbraw/zinc/83/08/59/1180830859.db2.gz IDCSXQOOABRGMN-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001717804532 1180865729 /nfs/dbraw/zinc/86/57/29/1180865729.db2.gz FXJOHSUTENWIQI-KGLIPLIRSA-N 1 3 267.417 1.482 10 30 CDEEHO C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001717826079 1180882285 /nfs/dbraw/zinc/88/22/85/1180882285.db2.gz MTDUCEOVSVBTIQ-HZPDHXFCSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001731686117 1182518075 /nfs/dbraw/zinc/51/80/75/1182518075.db2.gz PPEGKDRZNHHXJN-JKSUJKDBSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)C[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001731772754 1182567265 /nfs/dbraw/zinc/56/72/65/1182567265.db2.gz MPMNXKUUABKVTL-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=C(C)C[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001731772754 1182567268 /nfs/dbraw/zinc/56/72/68/1182567268.db2.gz MPMNXKUUABKVTL-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001731863288 1182636101 /nfs/dbraw/zinc/63/61/01/1182636101.db2.gz YYFNYFAFLVBVBC-CQSZACIVSA-N 1 3 290.411 1.665 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001731863288 1182636105 /nfs/dbraw/zinc/63/61/05/1182636105.db2.gz YYFNYFAFLVBVBC-CQSZACIVSA-N 1 3 290.411 1.665 10 30 CDEEHO CC#CC[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001732303602 1182899361 /nfs/dbraw/zinc/89/93/61/1182899361.db2.gz VUIIKIJZHBNKQE-UHFFFAOYSA-N 1 3 291.439 1.324 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001732507648 1182992305 /nfs/dbraw/zinc/99/23/05/1182992305.db2.gz JBVQTLIDEOYXJR-MRXNPFEDSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732971393 1183213026 /nfs/dbraw/zinc/21/30/26/1183213026.db2.gz AXJJZGKVMSJUHO-CZUORRHYSA-N 1 3 299.434 1.869 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001733347947 1183405912 /nfs/dbraw/zinc/40/59/12/1183405912.db2.gz FEVLPMFPZZOGNQ-KBPBESRZSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CCC[N@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001734633763 1183855205 /nfs/dbraw/zinc/85/52/05/1183855205.db2.gz STYXBRVNBBEBCZ-OAHLLOKOSA-N 1 3 289.423 1.100 10 30 CDEEHO C#CCC[N@@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001734633763 1183855209 /nfs/dbraw/zinc/85/52/09/1183855209.db2.gz STYXBRVNBBEBCZ-OAHLLOKOSA-N 1 3 289.423 1.100 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000876738095 751864348 /nfs/dbraw/zinc/86/43/48/751864348.db2.gz ZGLHRYQNYRAVLK-UHTWSYAYSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000876738095 751864349 /nfs/dbraw/zinc/86/43/49/751864349.db2.gz ZGLHRYQNYRAVLK-UHTWSYAYSA-N 1 3 287.835 1.693 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 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C=C(C)C[NH2+]C1(C)CCN(C(=O)CN(C)CCC)CC1 ZINC001484927203 916271423 /nfs/dbraw/zinc/27/14/23/916271423.db2.gz OMSILQTUBDMASG-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001485763469 917261612 /nfs/dbraw/zinc/26/16/12/917261612.db2.gz OPSVQRVQKFSZLH-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001485763469 917261623 /nfs/dbraw/zinc/26/16/23/917261623.db2.gz OPSVQRVQKFSZLH-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001490660630 927291676 /nfs/dbraw/zinc/29/16/76/927291676.db2.gz HGLIRFMHMYXXGQ-CVEARBPZSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001274447335 931501205 /nfs/dbraw/zinc/50/12/05/931501205.db2.gz VWGFKCPXPFZMFL-CQSZACIVSA-N 1 3 293.455 1.731 10 30 CDEEHO C#CC[NH2+][C@@H](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001274835071 931591087 /nfs/dbraw/zinc/59/10/87/931591087.db2.gz 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279.428 1.180 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001493667650 972097731 /nfs/dbraw/zinc/09/77/31/972097731.db2.gz UOTMEHQHOJGQJU-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001493667650 972097734 /nfs/dbraw/zinc/09/77/34/972097734.db2.gz UOTMEHQHOJGQJU-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2CC)C1 ZINC001328960912 955582709 /nfs/dbraw/zinc/58/27/09/955582709.db2.gz JTQAADHHPTVXSE-YMAMQOFZSA-N 1 3 279.428 1.531 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001329102806 955685325 /nfs/dbraw/zinc/68/53/25/955685325.db2.gz HKWVKUCDJGGDKJ-ZIAGYGMSSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001494138596 972183477 /nfs/dbraw/zinc/18/34/77/972183477.db2.gz WSBJLKVYTCACFR-OAHLLOKOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001494138596 972183482 /nfs/dbraw/zinc/18/34/82/972183482.db2.gz WSBJLKVYTCACFR-OAHLLOKOSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CCCN1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001316951401 957149910 /nfs/dbraw/zinc/14/99/10/957149910.db2.gz BLJSIIINLWSPJL-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCCN1CCC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001316951401 957149914 /nfs/dbraw/zinc/14/99/14/957149914.db2.gz BLJSIIINLWSPJL-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]C(C)C)C2CC2)CC1 ZINC001317036036 957221126 /nfs/dbraw/zinc/22/11/26/957221126.db2.gz ZYXPZRWEBQHOPV-INIZCTEOSA-N 1 3 291.439 1.224 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001317189277 957334203 /nfs/dbraw/zinc/33/42/03/957334203.db2.gz IQYHATGDUFLQOP-OAHLLOKOSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001332205573 957476341 /nfs/dbraw/zinc/47/63/41/957476341.db2.gz KVCGXHYVWRAASI-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001332205573 957476343 /nfs/dbraw/zinc/47/63/43/957476343.db2.gz KVCGXHYVWRAASI-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCN(CCC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001317544013 957538958 /nfs/dbraw/zinc/53/89/58/957538958.db2.gz DLUNLDUFLUNNTF-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001318593823 958191454 /nfs/dbraw/zinc/19/14/54/958191454.db2.gz UKJLQSCZZXNQOA-UONOGXRCSA-N 1 3 269.433 1.633 10 30 CDEEHO C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001494988414 972364764 /nfs/dbraw/zinc/36/47/64/972364764.db2.gz ZDWXPEOQGIBSRZ-UONOGXRCSA-N 1 3 267.417 1.530 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1CC ZINC001569342670 1169773808 /nfs/dbraw/zinc/77/38/08/1169773808.db2.gz JRHZHFGNLNXVPB-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001324235007 961250372 /nfs/dbraw/zinc/25/03/72/961250372.db2.gz KGJQDQDUZMXKLJ-ZFWWWQNUSA-N 1 3 290.411 1.888 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001341769660 963536540 /nfs/dbraw/zinc/53/65/40/963536540.db2.gz YKAWPMOZQWCXTP-UKRRQHHQSA-N 1 3 265.401 1.272 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC([NH3+])(CC)CC1 ZINC001522444995 970438558 /nfs/dbraw/zinc/43/85/58/970438558.db2.gz JIEMKHUUSIUUJD-LBPRGKRZSA-N 1 3 253.390 1.400 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001496734518 973074646 /nfs/dbraw/zinc/07/46/46/973074646.db2.gz GAKNIJNRXSRBCD-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001496734518 973074660 /nfs/dbraw/zinc/07/46/60/973074660.db2.gz GAKNIJNRXSRBCD-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001497762763 973490469 /nfs/dbraw/zinc/49/04/69/973490469.db2.gz JRNLLXVAVIVVDF-FYCOFBDGSA-N 1 3 291.439 1.392 10 30 CDEEHO C#CCC[NH2+]C1CCC(N(C)C(=O)CN(C)CCC)CC1 ZINC001505790020 974989048 /nfs/dbraw/zinc/98/90/48/974989048.db2.gz LPYHKIFWBZLMCT-UHFFFAOYSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001507026225 975298981 /nfs/dbraw/zinc/29/89/81/975298981.db2.gz ARUOXRUFRJMBMI-DZGCQCFKSA-N 1 3 279.428 1.341 10 30 CDEEHO C=C(C)CN(C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001507863153 975553395 /nfs/dbraw/zinc/55/33/95/975553395.db2.gz PCKNUROODSTDMO-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)CN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001507863153 975553404 /nfs/dbraw/zinc/55/34/04/975553404.db2.gz PCKNUROODSTDMO-OAHLLOKOSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001390718721 976452757 /nfs/dbraw/zinc/45/27/57/976452757.db2.gz YWSQBBSUMXITAA-STQMWFEESA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001390718721 976452765 /nfs/dbraw/zinc/45/27/65/976452765.db2.gz YWSQBBSUMXITAA-STQMWFEESA-N 1 3 287.835 1.565 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001569810049 1170001375 /nfs/dbraw/zinc/00/13/75/1170001375.db2.gz FJMAKOLTILKVQL-HUUCEWRRSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001403417824 976944164 /nfs/dbraw/zinc/94/41/64/976944164.db2.gz NXLWJSRNMCHDOU-JOCQHMNTSA-N 1 3 299.846 1.708 10 30 CDEEHO C=CC[N@@H+](CC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001570504611 1170172208 /nfs/dbraw/zinc/17/22/08/1170172208.db2.gz NADWJORBDXHVNT-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[N@H+](CC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001570504611 1170172214 /nfs/dbraw/zinc/17/22/14/1170172214.db2.gz NADWJORBDXHVNT-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001570772312 1170277621 /nfs/dbraw/zinc/27/76/21/1170277621.db2.gz HFEMMTSSUHNLPQ-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001571486361 1170450344 /nfs/dbraw/zinc/45/03/44/1170450344.db2.gz CWJQBNFILUAHDI-ZIAGYGMSSA-N 1 3 281.444 1.729 10 30 CDEEHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CCCCC#N ZINC000594441584 342907502 /nfs/dbraw/zinc/90/75/02/342907502.db2.gz SWBRDSATEQSUEW-GJZGRUSLSA-N 1 3 294.443 1.778 10 30 CDEEHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CCCCC#N ZINC000594441584 342907503 /nfs/dbraw/zinc/90/75/03/342907503.db2.gz SWBRDSATEQSUEW-GJZGRUSLSA-N 1 3 294.443 1.778 10 30 CDEEHO C[C@H](CCNC[C@@H](O)CC1(C#N)CC1)[NH+]1CCCCC1 ZINC000600733650 342246012 /nfs/dbraw/zinc/24/60/12/342246012.db2.gz FKQLMAZBLVXOSJ-CABCVRRESA-N 1 3 279.428 1.895 10 30 CDEEHO C[C@H](CC[NH2+]C[C@@H](O)CC1(C#N)CC1)N1CCCCC1 ZINC000600733650 342246013 /nfs/dbraw/zinc/24/60/13/342246013.db2.gz FKQLMAZBLVXOSJ-CABCVRRESA-N 1 3 279.428 1.895 10 30 CDEEHO CN(CC#CCN1CCCC1)C(=O)CCCCCC[NH3+] ZINC000027858003 346052625 /nfs/dbraw/zinc/05/26/25/346052625.db2.gz YRYKHAXFOPZIGS-UHFFFAOYSA-N 1 3 279.428 1.453 10 30 CDEEHO C=CC[C@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297632633 371457490 /nfs/dbraw/zinc/45/74/90/371457490.db2.gz MBTDCKGADBQSAI-CQSZACIVSA-N 1 3 261.369 1.577 10 30 CDEEHO C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001662350852 1172533760 /nfs/dbraw/zinc/53/37/60/1172533760.db2.gz NYDGPPRGGSKXDX-KGLIPLIRSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CCN1CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001663644996 1172736040 /nfs/dbraw/zinc/73/60/40/1172736040.db2.gz NSFBUFGMHXFGBI-MRXNPFEDSA-N 1 3 291.439 1.324 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)[C@H]1CCCCN1CC)C(C)C ZINC001664557436 1172867364 /nfs/dbraw/zinc/86/73/64/1172867364.db2.gz CIUFIWRIWFOGEA-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)[C@H]1CCCCN1CC)C(C)C ZINC001664557436 1172867367 /nfs/dbraw/zinc/86/73/67/1172867367.db2.gz CIUFIWRIWFOGEA-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO N#C[C@@H]1CC[C@H]([NH2+]C2CCC([N+](=O)[O-])CC2)C([N+](=O)[O-])C1 ZINC000005282743 170082256 /nfs/dbraw/zinc/08/22/56/170082256.db2.gz CMWRBBPXNMTAPR-ZMZXKLSGSA-N 1 3 296.327 1.501 10 30 CDEEHO COCCN(Cc1ccc(C#CC[NH3+])s1)[C@@H](C)COC ZINC000043684199 175092906 /nfs/dbraw/zinc/09/29/06/175092906.db2.gz OCGIPJJHQBYYPW-ZDUSSCGKSA-N 1 3 296.436 1.542 10 30 CDEEHO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1sccc1C#CCN ZINC000043684121 175093045 /nfs/dbraw/zinc/09/30/45/175093045.db2.gz XYCDUAUTKOWBNX-AAEUAGOBSA-N 1 3 291.420 1.144 10 30 CDEEHO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1sccc1C#CCN ZINC000043684121 175093046 /nfs/dbraw/zinc/09/30/46/175093046.db2.gz XYCDUAUTKOWBNX-AAEUAGOBSA-N 1 3 291.420 1.144 10 30 CDEEHO N#CCCC[C@H](N)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580433014 330132214 /nfs/dbraw/zinc/13/22/14/330132214.db2.gz ANDNTKZWLRZMPS-LSDHHAIUSA-N 1 3 286.379 1.092 10 30 CDEEHO C=C[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665759288 482444161 /nfs/dbraw/zinc/44/41/61/482444161.db2.gz BUJWLIIQDAECJU-STQMWFEESA-N 1 3 270.421 1.132 10 30 CDEEHO C=C[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665759288 482444162 /nfs/dbraw/zinc/44/41/62/482444162.db2.gz BUJWLIIQDAECJU-STQMWFEESA-N 1 3 270.421 1.132 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001715506948 1179687362 /nfs/dbraw/zinc/68/73/62/1179687362.db2.gz NTENPSOCCXVTGL-LSDHHAIUSA-N 1 3 281.444 1.326 10 30 CDEEHO C#CCCN(C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001725730810 1182113558 /nfs/dbraw/zinc/11/35/58/1182113558.db2.gz YIRLCYKQZHCKAJ-UHFFFAOYSA-N 1 3 267.417 1.130 10 30 CDEEHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C#CCN)cc1 ZINC000049561919 524471894 /nfs/dbraw/zinc/47/18/94/524471894.db2.gz ROCHFPPVASWPHD-ZDUSSCGKSA-N 1 3 273.380 1.067 10 30 CDEEHO C#CC[N@@H+](C[C@@H](O)CN(C)C(C)C)C1CCCC1 ZINC000851807132 617650994 /nfs/dbraw/zinc/65/09/94/617650994.db2.gz AAPIIPVWTIMWID-HNNXBMFYSA-N 1 3 252.402 1.565 10 30 CDEEHO C#CC[N@H+](C[C@@H](O)CN(C)C(C)C)C1CCCC1 ZINC000851807132 617651005 /nfs/dbraw/zinc/65/10/05/617651005.db2.gz AAPIIPVWTIMWID-HNNXBMFYSA-N 1 3 252.402 1.565 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000876876754 630579078 /nfs/dbraw/zinc/57/90/78/630579078.db2.gz ULYDDQOTHZWIJU-RYUDHWBXSA-N 1 3 273.808 1.399 10 30 CDEEHO C=CC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268375617 1159913404 /nfs/dbraw/zinc/91/34/04/1159913404.db2.gz VGXZPDJVWWWBIF-STQMWFEESA-N 1 3 255.406 1.243 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000876867808 1165930118 /nfs/dbraw/zinc/93/01/18/1165930118.db2.gz MQHFYUOTVFDGSR-MNOVXSKESA-N 1 3 259.781 1.105 10 30 CDEEHO C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001568430974 1169284011 /nfs/dbraw/zinc/28/40/11/1169284011.db2.gz CKWKJOYYHYZRPP-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001569099085 1169644156 /nfs/dbraw/zinc/64/41/56/1169644156.db2.gz PTDPHTNNMZVNII-GJZGRUSLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001569671356 1169962868 /nfs/dbraw/zinc/96/28/68/1169962868.db2.gz LFAZSSHINUHHDV-HNNXBMFYSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001668279746 1173391181 /nfs/dbraw/zinc/39/11/81/1173391181.db2.gz XDRLZRLLPRCVPP-OLZOCXBDSA-N 1 3 255.406 1.387 10 30 CDEEHO CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001675832349 1174152088 /nfs/dbraw/zinc/15/20/88/1174152088.db2.gz KILOHRRGNQAOKB-BZUAXINKSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCN1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001676817443 1174277603 /nfs/dbraw/zinc/27/76/03/1174277603.db2.gz YHPJZTKPYATLRX-GOEBONIOSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C/C=C/Cl)CC1 ZINC001690650563 1175536990 /nfs/dbraw/zinc/53/69/90/1175536990.db2.gz MSGKSGWIOFMOAA-WXJAXGNASA-N 1 3 297.830 1.178 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001699405820 1176372412 /nfs/dbraw/zinc/37/24/12/1176372412.db2.gz KNDBVEFRHLKFPC-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001699864829 1176661308 /nfs/dbraw/zinc/66/13/08/1176661308.db2.gz FIWJVKUIWSMANS-UHFFFAOYSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713202846 1178429280 /nfs/dbraw/zinc/42/92/80/1178429280.db2.gz SNDDMIBYOWQFNG-OWCLPIDISA-N 1 3 291.439 1.509 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001713872468 1178806101 /nfs/dbraw/zinc/80/61/01/1178806101.db2.gz QAVDCJGANPIKBB-HNNXBMFYSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCN1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001714155946 1178994321 /nfs/dbraw/zinc/99/43/21/1178994321.db2.gz LLVKPSCCZIRDNM-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC[C@H]([C@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001714155946 1178994326 /nfs/dbraw/zinc/99/43/26/1178994326.db2.gz LLVKPSCCZIRDNM-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]C[C@H](C)CC)CC1 ZINC001715963284 1179944971 /nfs/dbraw/zinc/94/49/71/1179944971.db2.gz XHLLTWAPLSZJBE-HUUCEWRRSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001716963056 1180483329 /nfs/dbraw/zinc/48/33/29/1180483329.db2.gz JEYAPQZYTBWARJ-HUUCEWRRSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC=C)CC1 ZINC001725131018 1181877615 /nfs/dbraw/zinc/87/76/15/1181877615.db2.gz SIWBCDAZVBRIRG-KBPBESRZSA-N 1 3 277.412 1.000 10 30 CDEEHO CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001725418249 1181994094 /nfs/dbraw/zinc/99/40/94/1181994094.db2.gz RTROVAZPMPBWKU-KBPBESRZSA-N 1 3 267.417 1.224 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001733984747 1183601804 /nfs/dbraw/zinc/60/18/04/1183601804.db2.gz MNMYYEZKLDUSKM-ZIAGYGMSSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876842807 754700418 /nfs/dbraw/zinc/70/04/18/754700418.db2.gz LQLYSLUBBVDOJN-WCQYABFASA-N 1 3 271.792 1.058 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000876722852 756098220 /nfs/dbraw/zinc/09/82/20/756098220.db2.gz GSRLTDZLQVZTFR-NEPJUHHUSA-N 1 3 273.808 1.447 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000876722852 756098225 /nfs/dbraw/zinc/09/82/25/756098225.db2.gz GSRLTDZLQVZTFR-NEPJUHHUSA-N 1 3 273.808 1.447 10 30 CDEEHO C[N@H+](C[C@@H](O)CN[C@@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240834 756498344 /nfs/dbraw/zinc/49/83/44/756498344.db2.gz ZMEAUECJRIQOHN-WBVHZDCISA-N 1 3 285.391 1.070 10 30 CDEEHO C[N@@H+](C[C@@H](O)CN[C@@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240834 756498351 /nfs/dbraw/zinc/49/83/51/756498351.db2.gz ZMEAUECJRIQOHN-WBVHZDCISA-N 1 3 285.391 1.070 10 30 CDEEHO C=CCC[C@H](O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311543 756684818 /nfs/dbraw/zinc/68/48/18/756684818.db2.gz RLHMWWVNGHPCOF-KKUMJFAQSA-N 1 3 252.402 1.587 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1 ZINC000303792258 758271493 /nfs/dbraw/zinc/27/14/93/758271493.db2.gz YIPZTCBNKZGBCY-OWCLPIDISA-N 1 3 286.423 1.931 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000876850871 758588902 /nfs/dbraw/zinc/58/89/02/758588902.db2.gz DFMJELYDVIZUMS-WCQYABFASA-N 1 3 271.792 1.058 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001568545866 1167536536 /nfs/dbraw/zinc/53/65/36/1167536536.db2.gz UJDHQXFYZQGTOL-UONOGXRCSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001566111023 1168236652 /nfs/dbraw/zinc/23/66/52/1168236652.db2.gz MHQASAZOVOYKEN-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001566111023 1168236657 /nfs/dbraw/zinc/23/66/57/1168236657.db2.gz MHQASAZOVOYKEN-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001483812154 915097070 /nfs/dbraw/zinc/09/70/70/915097070.db2.gz KSUZIZTZEAXJMI-CABCVRRESA-N 1 3 279.428 1.580 10 30 CDEEHO C#CCC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001266915637 896335206 /nfs/dbraw/zinc/33/52/06/896335206.db2.gz BBPULOYYONYNEX-UYSNPLJNSA-N 1 3 293.455 1.613 10 30 CDEEHO C=CCC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001266986860 896502008 /nfs/dbraw/zinc/50/20/08/896502008.db2.gz DHYAGNDNACMXLP-CHWSQXEVSA-N 1 3 255.406 1.243 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001267045128 896627113 /nfs/dbraw/zinc/62/71/13/896627113.db2.gz NIXDLYUXFJYSED-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001267083412 896727782 /nfs/dbraw/zinc/72/77/82/896727782.db2.gz YHKYDNFTEJXEMV-KBPBESRZSA-N 1 3 279.428 1.674 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267580413 898516826 /nfs/dbraw/zinc/51/68/26/898516826.db2.gz WMORZCVUJWAMFP-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267580413 898516836 /nfs/dbraw/zinc/51/68/36/898516836.db2.gz WMORZCVUJWAMFP-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO CC#CC[NH2+]C[C@@](C)(NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001267857556 899881300 /nfs/dbraw/zinc/88/13/00/899881300.db2.gz BOADHYDOQDQSIH-RHSMWYFYSA-N 1 3 291.439 1.226 10 30 CDEEHO C#CC[NH+]1CCC(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001267944838 900017472 /nfs/dbraw/zinc/01/74/72/900017472.db2.gz NTIWFHDLAAUKAP-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCNC[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482063231 902580666 /nfs/dbraw/zinc/58/06/66/902580666.db2.gz IOJPZBNJYCUYRZ-HZPDHXFCSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001269079931 903400368 /nfs/dbraw/zinc/40/03/68/903400368.db2.gz VRARHIRSACTXOE-AWEZNQCLSA-N 1 3 265.401 1.141 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1CC ZINC001269182622 903510867 /nfs/dbraw/zinc/51/08/67/903510867.db2.gz PMRFKLZTSVIAGK-UKRRQHHQSA-N 1 3 288.395 1.192 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001269790712 904118105 /nfs/dbraw/zinc/11/81/05/904118105.db2.gz KBPIZBSOFHBKIO-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001271720703 906633747 /nfs/dbraw/zinc/63/37/47/906633747.db2.gz FLHIYKJPGUYSOW-LSDHHAIUSA-N 1 3 279.428 1.034 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001271923274 906985519 /nfs/dbraw/zinc/98/55/19/906985519.db2.gz SODRUIGFVXFLGG-KGLIPLIRSA-N 1 3 267.417 1.080 10 30 CDEEHO CC#CC[NH2+]C/C=C\CNC(=O)c1cccc(CN(C)C)c1 ZINC001483096579 909333223 /nfs/dbraw/zinc/33/32/23/909333223.db2.gz CRSNQFXZPUCPRN-SREVYHEPSA-N 1 3 299.418 1.647 10 30 CDEEHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001483812154 915097050 /nfs/dbraw/zinc/09/70/50/915097050.db2.gz KSUZIZTZEAXJMI-CABCVRRESA-N 1 3 279.428 1.580 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001484634274 915964806 /nfs/dbraw/zinc/96/48/06/915964806.db2.gz INRXSCFXJAJCMA-LSDHHAIUSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001484634274 915964821 /nfs/dbraw/zinc/96/48/21/915964821.db2.gz INRXSCFXJAJCMA-LSDHHAIUSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001484909970 916263577 /nfs/dbraw/zinc/26/35/77/916263577.db2.gz QZMVPYXHLHHELD-KBPBESRZSA-N 1 3 267.417 1.339 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001485694373 917195396 /nfs/dbraw/zinc/19/53/96/917195396.db2.gz HATKNAGFKSVJQQ-JOCQHMNTSA-N 1 3 287.835 1.565 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491126445 936862045 /nfs/dbraw/zinc/86/20/45/936862045.db2.gz YGZFVBRYLWBRJD-GJZGRUSLSA-N 1 3 279.428 1.034 10 30 CDEEHO C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CCC ZINC001489056178 926783587 /nfs/dbraw/zinc/78/35/87/926783587.db2.gz QJSIEXKQSLDITN-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001490256078 927065567 /nfs/dbraw/zinc/06/55/67/927065567.db2.gz LAHQYBKRLVGZIT-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001276468902 939767414 /nfs/dbraw/zinc/76/74/14/939767414.db2.gz OCDZTHHNUZQRMC-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001284976390 943303979 /nfs/dbraw/zinc/30/39/79/943303979.db2.gz GUWYEVXKFUNTHE-MRXNPFEDSA-N 1 3 293.455 1.897 10 30 CDEEHO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001284976390 943303987 /nfs/dbraw/zinc/30/39/87/943303987.db2.gz GUWYEVXKFUNTHE-MRXNPFEDSA-N 1 3 293.455 1.897 10 30 CDEEHO C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265655969 944459165 /nfs/dbraw/zinc/45/91/65/944459165.db2.gz SUDGAQYZWWPKCE-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001265655969 944459168 /nfs/dbraw/zinc/45/91/68/944459168.db2.gz SUDGAQYZWWPKCE-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001331936490 947607944 /nfs/dbraw/zinc/60/79/44/947607944.db2.gz CCNJOWNMLWXWAK-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001480020317 971541254 /nfs/dbraw/zinc/54/12/54/971541254.db2.gz RICKBTZTLCKAMM-LSDHHAIUSA-N 1 3 279.428 1.530 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001278612830 950465251 /nfs/dbraw/zinc/46/52/51/950465251.db2.gz GTUSEHUIWZAVMW-LSDHHAIUSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480666857 971832174 /nfs/dbraw/zinc/83/21/74/971832174.db2.gz ZPZAVJKPTCELGU-AWEZNQCLSA-N 1 3 279.428 1.036 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CCCC1 ZINC001324497824 953414737 /nfs/dbraw/zinc/41/47/37/953414737.db2.gz OEORFWSAZJRCJC-GDBMZVCRSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001328459104 955300970 /nfs/dbraw/zinc/30/09/70/955300970.db2.gz MGQQEYDZFYIFJB-GJZGRUSLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCC[NH2+]CC1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001328941789 955568317 /nfs/dbraw/zinc/56/83/17/955568317.db2.gz TXEYPXDXVYKXEW-JXQTWKCFSA-N 1 3 267.417 1.387 10 30 CDEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001329335123 955828628 /nfs/dbraw/zinc/82/86/28/955828628.db2.gz ISSURDBBAGWAJM-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO C=CCN1CCCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001330511641 956458228 /nfs/dbraw/zinc/45/82/28/956458228.db2.gz CNTBJYKGLKWTRF-UHFFFAOYSA-N 1 3 279.428 1.439 10 30 CDEEHO C=CCN1CCCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001330511641 956458233 /nfs/dbraw/zinc/45/82/33/956458233.db2.gz CNTBJYKGLKWTRF-UHFFFAOYSA-N 1 3 279.428 1.439 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001317190177 957333761 /nfs/dbraw/zinc/33/37/61/957333761.db2.gz MXZIIVWRKSRUGW-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001317688452 957639823 /nfs/dbraw/zinc/63/98/23/957639823.db2.gz XMRPLKZSLUSLNI-UKRRQHHQSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001317934502 957823830 /nfs/dbraw/zinc/82/38/30/957823830.db2.gz 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/nfs/dbraw/zinc/75/77/88/1169757788.db2.gz NUZDOWUFUGCEIW-KGLIPLIRSA-N 1 3 267.417 1.243 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001495361610 972483063 /nfs/dbraw/zinc/48/30/63/972483063.db2.gz ZMODCQOWJSSKBN-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001420079311 962455458 /nfs/dbraw/zinc/45/54/58/962455458.db2.gz KQSBYSSQIKKYCU-OCCSQVGLSA-N 1 3 299.846 1.565 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C1CC[NH+](C2CC2)CC1 ZINC001556467028 965046004 /nfs/dbraw/zinc/04/60/04/965046004.db2.gz XBFWUZPORJFBCL-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497619745 973435537 /nfs/dbraw/zinc/43/55/37/973435537.db2.gz GOPCMCPMJCILDP-NFAHFFEMSA-N 1 3 277.412 1.002 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497619745 973435541 /nfs/dbraw/zinc/43/55/41/973435541.db2.gz GOPCMCPMJCILDP-NFAHFFEMSA-N 1 3 277.412 1.002 10 30 CDEEHO 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1160883987 /nfs/dbraw/zinc/88/39/87/1160883987.db2.gz GQFQTMAIAKDYDJ-GOEBONIOSA-N 1 3 291.439 1.511 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC001120504514 1161025189 /nfs/dbraw/zinc/02/51/89/1161025189.db2.gz PILWAOPHMNACEU-CQSZACIVSA-N 1 3 294.443 1.324 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001714272353 1179057857 /nfs/dbraw/zinc/05/78/57/1179057857.db2.gz HYCOLEWDYMISDL-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO COCCN(CCOC)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609864 523717913 /nfs/dbraw/zinc/71/79/13/523717913.db2.gz ULQDWQGIEVCGHL-UHFFFAOYSA-N 1 3 276.380 1.092 10 30 CDEEHO C=CCCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665764156 574425905 /nfs/dbraw/zinc/42/59/05/574425905.db2.gz WFEMCCMNNOENMI-ZDUSSCGKSA-N 1 3 270.421 1.134 10 30 CDEEHO C=CCCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665764156 574425906 /nfs/dbraw/zinc/42/59/06/574425906.db2.gz WFEMCCMNNOENMI-ZDUSSCGKSA-N 1 3 270.421 1.134 10 30 CDEEHO 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CC#CCN[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001690678691 1175543399 /nfs/dbraw/zinc/54/33/99/1175543399.db2.gz OYHCXIWVLOKHCQ-HOTGVXAUSA-N 1 3 291.439 1.463 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001690678691 1175543405 /nfs/dbraw/zinc/54/34/05/1175543405.db2.gz OYHCXIWVLOKHCQ-HOTGVXAUSA-N 1 3 291.439 1.463 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001690678691 1175543410 /nfs/dbraw/zinc/54/34/10/1175543410.db2.gz OYHCXIWVLOKHCQ-HOTGVXAUSA-N 1 3 291.439 1.463 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001698769309 1175924759 /nfs/dbraw/zinc/92/47/59/1175924759.db2.gz YLRBZNUUIMHUIS-ZIAGYGMSSA-N 1 3 267.417 1.246 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001698899117 1175980389 /nfs/dbraw/zinc/98/03/89/1175980389.db2.gz OZUSBXGCIFHMKW-ZBFHGGJFSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCN1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001699876436 1176665353 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C#CCN(CCC)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713551698 1178641302 /nfs/dbraw/zinc/64/13/02/1178641302.db2.gz XAQFEGOWOIZJMV-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001713925866 1178850921 /nfs/dbraw/zinc/85/09/21/1178850921.db2.gz PCVVCELZFKINEQ-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001713939581 1178865914 /nfs/dbraw/zinc/86/59/14/1178865914.db2.gz IZKACCUIFLVZMA-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001713939581 1178865924 /nfs/dbraw/zinc/86/59/24/1178865924.db2.gz IZKACCUIFLVZMA-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001714048190 1178945893 /nfs/dbraw/zinc/94/58/93/1178945893.db2.gz FLSQSRPROUKYMR-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001714048190 1178945898 /nfs/dbraw/zinc/94/58/98/1178945898.db2.gz FLSQSRPROUKYMR-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO CC#CC[NH+]1CCC(CCNC(=O)CN(C)CCC)CC1 ZINC001714331211 1179086830 /nfs/dbraw/zinc/08/68/30/1179086830.db2.gz RNUQLPDKBHSVHE-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001714561272 1179217051 /nfs/dbraw/zinc/21/70/51/1179217051.db2.gz OVOGLNLSNGXFKX-OAHLLOKOSA-N 1 3 285.407 1.433 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001714561272 1179217057 /nfs/dbraw/zinc/21/70/57/1179217057.db2.gz OVOGLNLSNGXFKX-OAHLLOKOSA-N 1 3 285.407 1.433 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001714967758 1179482652 /nfs/dbraw/zinc/48/26/52/1179482652.db2.gz WENQYOMTTAHFJH-MRXNPFEDSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001715100976 1179550754 /nfs/dbraw/zinc/55/07/54/1179550754.db2.gz BEMSBMYXBLANFK-UHFFFAOYSA-N 1 3 290.411 1.855 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001716963054 1180483044 /nfs/dbraw/zinc/48/30/44/1180483044.db2.gz JEYAPQZYTBWARJ-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001717648111 1180773089 /nfs/dbraw/zinc/77/30/89/1180773089.db2.gz PABUXPIMRDUVIS-RBSFLKMASA-N 1 3 279.428 1.389 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001717886891 1180913794 /nfs/dbraw/zinc/91/37/94/1180913794.db2.gz IUCWEQYYKPOGMQ-CABCVRRESA-N 1 3 279.428 1.224 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN(C)CCC)CC1 ZINC001724614195 1181705041 /nfs/dbraw/zinc/70/50/41/1181705041.db2.gz ORRGEIPBWYKZAO-WKILWMFISA-N 1 3 293.455 1.474 10 30 CDEEHO C#CCC[N@@H+](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001725420536 1181994331 /nfs/dbraw/zinc/99/43/31/1181994331.db2.gz OCRXGPIBWYYXRC-OAHLLOKOSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[N@H+](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001725420536 1181994333 /nfs/dbraw/zinc/99/43/33/1181994333.db2.gz OCRXGPIBWYYXRC-OAHLLOKOSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[NH2+][C@H](CCNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001725447596 1182003121 /nfs/dbraw/zinc/00/31/21/1182003121.db2.gz UDXYXSYABIHCTD-CQSZACIVSA-N 1 3 290.411 1.404 10 30 CDEEHO C#CCN1CCC[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001731508855 1182427676 /nfs/dbraw/zinc/42/76/76/1182427676.db2.gz QRSAZPCPMMFHNC-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCN1CCC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001731508855 1182427669 /nfs/dbraw/zinc/42/76/69/1182427669.db2.gz QRSAZPCPMMFHNC-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001732524427 1182996339 /nfs/dbraw/zinc/99/63/39/1182996339.db2.gz BUEYWTCIJFUHKL-HUUCEWRRSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001734067434 1183646223 /nfs/dbraw/zinc/64/62/23/1183646223.db2.gz ZKANCQSMUATLAQ-ZDUSSCGKSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001734067434 1183646226 /nfs/dbraw/zinc/64/62/26/1183646226.db2.gz ZKANCQSMUATLAQ-ZDUSSCGKSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000877054424 771904539 /nfs/dbraw/zinc/90/45/39/771904539.db2.gz HWAUZDULSCLLAA-GFCCVEGCSA-N 1 3 295.770 1.577 10 30 CDEEHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000870994196 772037512 /nfs/dbraw/zinc/03/75/12/772037512.db2.gz OTYCFVHPKBPRCU-WFASDCNBSA-N 1 3 280.416 1.231 10 30 CDEEHO C=CCN1CC[C@@H](N2CCC3(CC2)CC[NH+](C)CC3)C1=O ZINC000879250847 772621979 /nfs/dbraw/zinc/62/19/79/772621979.db2.gz KAIWZOLFMSQWEP-OAHLLOKOSA-N 1 3 291.439 1.581 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)CCC)C1 ZINC001566074891 1168227039 /nfs/dbraw/zinc/22/70/39/1168227039.db2.gz CWTOSXRSXVUGJQ-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001480873159 894826726 /nfs/dbraw/zinc/82/67/26/894826726.db2.gz AQJKLQJFDSTRGV-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CC[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001480873159 894826734 /nfs/dbraw/zinc/82/67/34/894826734.db2.gz AQJKLQJFDSTRGV-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CCC[N@H+](CCC)CCNC(=O)[C@H]1CCCCN1CC ZINC001266579355 895432061 /nfs/dbraw/zinc/43/20/61/895432061.db2.gz OUXABPDVHWAVOK-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCCCN1CC ZINC001266579355 895432064 /nfs/dbraw/zinc/43/20/64/895432064.db2.gz OUXABPDVHWAVOK-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCN1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001266853298 896194675 /nfs/dbraw/zinc/19/46/75/896194675.db2.gz JOOIJNVHJSLHSX-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001267169790 896992199 /nfs/dbraw/zinc/99/21/99/896992199.db2.gz XGZXMKKORPDWBX-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001267169790 896992207 /nfs/dbraw/zinc/99/22/07/896992207.db2.gz XGZXMKKORPDWBX-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267535865 898279190 /nfs/dbraw/zinc/27/91/90/898279190.db2.gz HIVRGPVUKGCOCL-HOTGVXAUSA-N 1 3 293.455 1.424 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267535865 898279205 /nfs/dbraw/zinc/27/92/05/898279205.db2.gz HIVRGPVUKGCOCL-HOTGVXAUSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267578970 898510624 /nfs/dbraw/zinc/51/06/24/898510624.db2.gz ASUQCLUTIUBGFV-ZIAGYGMSSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267578970 898510627 /nfs/dbraw/zinc/51/06/27/898510627.db2.gz ASUQCLUTIUBGFV-ZIAGYGMSSA-N 1 3 265.401 1.047 10 30 CDEEHO C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001267718365 899369894 /nfs/dbraw/zinc/36/98/94/899369894.db2.gz HYKKSCCTYQFKQR-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001267718365 899369906 /nfs/dbraw/zinc/36/99/06/899369906.db2.gz HYKKSCCTYQFKQR-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001268163615 901459421 /nfs/dbraw/zinc/45/94/21/901459421.db2.gz YYSAMNVVVWMNJI-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=C)C)CC1 ZINC001282240972 901774399 /nfs/dbraw/zinc/77/43/99/901774399.db2.gz HQUKWYWVXMOCNT-CABCVRRESA-N 1 3 291.439 1.391 10 30 CDEEHO CC#CCNCCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001268461828 902186646 /nfs/dbraw/zinc/18/66/46/902186646.db2.gz XVZXKUQRMCOOMQ-UHFFFAOYSA-N 1 3 277.412 1.076 10 30 CDEEHO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482291113 904662174 /nfs/dbraw/zinc/66/21/74/904662174.db2.gz CVIRSUWHJDZXFJ-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483050560 909047288 /nfs/dbraw/zinc/04/72/88/909047288.db2.gz IRPBNLXSWKMORQ-KXLSMFKISA-N 1 3 277.412 1.002 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483050560 909047305 /nfs/dbraw/zinc/04/73/05/909047305.db2.gz IRPBNLXSWKMORQ-KXLSMFKISA-N 1 3 277.412 1.002 10 30 CDEEHO C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001484466504 915794674 /nfs/dbraw/zinc/79/46/74/915794674.db2.gz UKRLPYGKSNVISL-CVEARBPZSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CCC ZINC001484466504 915794683 /nfs/dbraw/zinc/79/46/83/915794683.db2.gz UKRLPYGKSNVISL-CVEARBPZSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001484988311 916346355 /nfs/dbraw/zinc/34/63/55/916346355.db2.gz SXVBZMDVYSCJOV-HZPDHXFCSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)C[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001485102653 916501200 /nfs/dbraw/zinc/50/12/00/916501200.db2.gz NAUUDNMQQITDBF-WLYUNCDWSA-N 1 3 279.428 1.389 10 30 CDEEHO CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001485240290 916699086 /nfs/dbraw/zinc/69/90/86/916699086.db2.gz XATDGTGXRGTVPP-UYSNPLJNSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CC2CC2)CC1 ZINC001485388658 916936662 /nfs/dbraw/zinc/93/66/62/916936662.db2.gz OLNHUVILBLEZOV-AWEZNQCLSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC2CC2)CC1 ZINC001485388658 916936674 /nfs/dbraw/zinc/93/66/74/916936674.db2.gz OLNHUVILBLEZOV-AWEZNQCLSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181545 920786607 /nfs/dbraw/zinc/78/66/07/920786607.db2.gz UMOHZQSUIATOPN-HUUCEWRRSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CCN(C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001490221860 927036713 /nfs/dbraw/zinc/03/67/13/927036713.db2.gz HXMPUIYUCWVWAV-UHFFFAOYSA-N 1 3 277.412 1.076 10 30 CDEEHO C#CCC[N@@H+](C)CCCNC(=O)CN(C)CC(C)(C)C ZINC001490250176 927051224 /nfs/dbraw/zinc/05/12/24/927051224.db2.gz DVLIMXAQANYNBN-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO C#CCC[N@H+](C)CCCNC(=O)CN(C)CC(C)(C)C ZINC001490250176 927051236 /nfs/dbraw/zinc/05/12/36/927051236.db2.gz DVLIMXAQANYNBN-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO CC(C)C#CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346115 928399052 /nfs/dbraw/zinc/39/90/52/928399052.db2.gz OVLKDMYQXXTNIZ-AWEZNQCLSA-N 1 3 267.417 1.034 10 30 CDEEHO CC(C)C#CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346115 928399065 /nfs/dbraw/zinc/39/90/65/928399065.db2.gz OVLKDMYQXXTNIZ-AWEZNQCLSA-N 1 3 267.417 1.034 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001275143814 931678808 /nfs/dbraw/zinc/67/88/08/931678808.db2.gz QYSYEWSDACDIAX-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001275143814 931678813 /nfs/dbraw/zinc/67/88/13/931678813.db2.gz QYSYEWSDACDIAX-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001122057011 937902273 /nfs/dbraw/zinc/90/22/73/937902273.db2.gz YYEUJZRQYHKBKL-HOTGVXAUSA-N 1 3 293.455 1.908 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001277225551 942196788 /nfs/dbraw/zinc/19/67/88/942196788.db2.gz WAKWNZVKLRWOIG-CABCVRRESA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001281475111 942581945 /nfs/dbraw/zinc/58/19/45/942581945.db2.gz GLEOWRVFNRZBET-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001283296473 942873434 /nfs/dbraw/zinc/87/34/34/942873434.db2.gz JOHCOGAMMBWDAD-HNNXBMFYSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001283296473 942873437 /nfs/dbraw/zinc/87/34/37/942873437.db2.gz JOHCOGAMMBWDAD-HNNXBMFYSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001284653827 943233939 /nfs/dbraw/zinc/23/39/39/943233939.db2.gz VNTICSZSWNKGAG-CYBMUJFWSA-N 1 3 269.433 1.633 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001277866100 943899722 /nfs/dbraw/zinc/89/97/22/943899722.db2.gz OZIUXTIOUDEEQE-CYBMUJFWSA-N 1 3 265.401 1.237 10 30 CDEEHO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001263906278 944025739 /nfs/dbraw/zinc/02/57/39/944025739.db2.gz FEVMWWKXAUEAFV-RRFJBIMHSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001265655968 944459032 /nfs/dbraw/zinc/45/90/32/944459032.db2.gz SUDGAQYZWWPKCE-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001265655968 944459035 /nfs/dbraw/zinc/45/90/35/944459035.db2.gz SUDGAQYZWWPKCE-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001265853028 944540147 /nfs/dbraw/zinc/54/01/47/944540147.db2.gz MCYQGQAHBZLJFY-STQMWFEESA-N 1 3 255.406 1.243 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001480158275 971606665 /nfs/dbraw/zinc/60/66/65/971606665.db2.gz WZHPPQIXQZRPSK-VGWMRTNUSA-N 1 3 293.455 1.920 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001493297238 972008947 /nfs/dbraw/zinc/00/89/47/972008947.db2.gz KHVAEIWWYHLYJW-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001493297238 972008955 /nfs/dbraw/zinc/00/89/55/972008955.db2.gz KHVAEIWWYHLYJW-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001330359235 956394209 /nfs/dbraw/zinc/39/42/09/956394209.db2.gz HEUQBJJPYHEZTM-LVQVYYBASA-N 1 3 293.455 1.587 10 30 CDEEHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001330359235 956394222 /nfs/dbraw/zinc/39/42/22/956394222.db2.gz HEUQBJJPYHEZTM-LVQVYYBASA-N 1 3 293.455 1.587 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494158522 972190959 /nfs/dbraw/zinc/19/09/59/972190959.db2.gz BBDWUAIGOWERNH-LSDHHAIUSA-N 1 3 281.444 1.539 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494158522 972190965 /nfs/dbraw/zinc/19/09/65/972190965.db2.gz BBDWUAIGOWERNH-LSDHHAIUSA-N 1 3 281.444 1.539 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([NH3+])(CC)CC1 ZINC001330959656 956729998 /nfs/dbraw/zinc/72/99/98/956729998.db2.gz CQKDWYZXQBXHFB-JTQLQIEISA-N 1 3 259.781 1.186 10 30 CDEEHO C#CCN[C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001331648809 957186954 /nfs/dbraw/zinc/18/69/54/957186954.db2.gz QPDWHHTZHHQZOW-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001332064723 957420809 /nfs/dbraw/zinc/42/08/09/957420809.db2.gz OUARPGXQRLKTTM-KBPBESRZSA-N 1 3 267.417 1.482 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317381837 957442209 /nfs/dbraw/zinc/44/22/09/957442209.db2.gz BVDKOMSIWLVIAS-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317381837 957442211 /nfs/dbraw/zinc/44/22/11/957442211.db2.gz BVDKOMSIWLVIAS-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001318525146 958154519 /nfs/dbraw/zinc/15/45/19/958154519.db2.gz URCAOLCUMRNDCC-HUUCEWRRSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)[C@H]2CCCN2C(C)C)CCCC1 ZINC001495160929 972431483 /nfs/dbraw/zinc/43/14/83/972431483.db2.gz OPLJNSXQCKTFGL-OAHLLOKOSA-N 1 3 291.439 1.511 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001336004690 960147115 /nfs/dbraw/zinc/14/71/15/960147115.db2.gz VRKHTYOPSDYPJE-KGLIPLIRSA-N 1 3 294.443 1.263 10 30 CDEEHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1CC ZINC001323166574 960491129 /nfs/dbraw/zinc/49/11/29/960491129.db2.gz DEYDESXTTUUBGR-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001495470128 972511602 /nfs/dbraw/zinc/51/16/02/972511602.db2.gz KOBBZJLZHRSQPB-JYJNAYRXSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448611221 967172453 /nfs/dbraw/zinc/17/24/53/967172453.db2.gz BVUSNNZHPMXPEL-ZIAGYGMSSA-N 1 3 299.846 1.517 10 30 CDEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448611221 967172461 /nfs/dbraw/zinc/17/24/61/967172461.db2.gz BVUSNNZHPMXPEL-ZIAGYGMSSA-N 1 3 299.846 1.517 10 30 CDEEHO COCC#CCN1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC001459786996 969451424 /nfs/dbraw/zinc/45/14/24/969451424.db2.gz SHFCNDOVHVMWLZ-UHFFFAOYSA-N 1 3 296.455 1.707 10 30 CDEEHO COCC#CCN1CCC(CCC[N@H+](C)CCOC)CC1 ZINC001459786996 969451427 /nfs/dbraw/zinc/45/14/27/969451427.db2.gz SHFCNDOVHVMWLZ-UHFFFAOYSA-N 1 3 296.455 1.707 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001501090507 974531790 /nfs/dbraw/zinc/53/17/90/974531790.db2.gz DPDFSARNHQDTDH-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001501574110 974601169 /nfs/dbraw/zinc/60/11/69/974601169.db2.gz HEEFSIQRRJFLII-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001501617846 974608577 /nfs/dbraw/zinc/60/85/77/974608577.db2.gz GAIQSGMDRVFNMV-HOTGVXAUSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001506906007 975253482 /nfs/dbraw/zinc/25/34/82/975253482.db2.gz FPLANOYDIWRTJG-BZUAXINKSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001507327264 975417382 /nfs/dbraw/zinc/41/73/82/975417382.db2.gz IRFKUMRYLDORFH-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001406076919 976008812 /nfs/dbraw/zinc/00/88/12/976008812.db2.gz VOOZZZGTNIFQGE-OLZOCXBDSA-N 1 3 287.835 1.421 10 30 CDEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001406076919 976008822 /nfs/dbraw/zinc/00/88/22/976008822.db2.gz VOOZZZGTNIFQGE-OLZOCXBDSA-N 1 3 287.835 1.421 10 30 CDEEHO C#CCN1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001675263614 1174089716 /nfs/dbraw/zinc/08/97/16/1174089716.db2.gz VZJJENIDFPQZMV-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571324503 1170364466 /nfs/dbraw/zinc/36/44/66/1170364466.db2.gz HNQQAQCCMONSBL-OLZOCXBDSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571324503 1170364473 /nfs/dbraw/zinc/36/44/73/1170364473.db2.gz HNQQAQCCMONSBL-OLZOCXBDSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571324505 1170366395 /nfs/dbraw/zinc/36/63/95/1170366395.db2.gz HNQQAQCCMONSBL-STQMWFEESA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571324505 1170366401 /nfs/dbraw/zinc/36/64/01/1170366401.db2.gz HNQQAQCCMONSBL-STQMWFEESA-N 1 3 287.835 1.565 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000594427926 342897625 /nfs/dbraw/zinc/89/76/25/342897625.db2.gz XZHALOCCRHNJMN-OAHLLOKOSA-N 1 3 286.379 1.682 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000594435852 342899252 /nfs/dbraw/zinc/89/92/52/342899252.db2.gz ANELCBZIBNZQJI-GJZGRUSLSA-N 1 3 292.427 1.484 10 30 CDEEHO C[NH2+]CCOCCN(C)CCc1ccc(C#N)cc1 ZINC000600724500 349876891 /nfs/dbraw/zinc/87/68/91/349876891.db2.gz AEHCOEHKSSPEHE-UHFFFAOYSA-N 1 3 261.369 1.269 10 30 CDEEHO CN1CC[C@]2(CC[N@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000292136868 198176809 /nfs/dbraw/zinc/17/68/09/198176809.db2.gz LYVICXREXUYNCO-KRWDZBQOSA-N 1 3 285.391 1.965 10 30 CDEEHO CN1CC[C@]2(CC[N@@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000292136868 198176810 /nfs/dbraw/zinc/17/68/10/198176810.db2.gz LYVICXREXUYNCO-KRWDZBQOSA-N 1 3 285.391 1.965 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001660330709 1172197882 /nfs/dbraw/zinc/19/78/82/1172197882.db2.gz WHOHLMUZMMYQIU-JKSUJKDBSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001660330709 1172197890 /nfs/dbraw/zinc/19/78/90/1172197890.db2.gz WHOHLMUZMMYQIU-JKSUJKDBSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000626970812 367108903 /nfs/dbraw/zinc/10/89/03/367108903.db2.gz UWZQJFMYOQPFHS-UONOGXRCSA-N 1 3 280.416 1.077 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001661753573 1172440615 /nfs/dbraw/zinc/44/06/15/1172440615.db2.gz YHNFRJJLHNYBMA-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001661753573 1172440620 /nfs/dbraw/zinc/44/06/20/1172440620.db2.gz YHNFRJJLHNYBMA-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)n2c1 ZINC000123276767 374094602 /nfs/dbraw/zinc/09/46/02/374094602.db2.gz JNTBRMRFNNYCGY-AWEZNQCLSA-N 1 3 295.390 1.780 10 30 CDEEHO C=C(C)CNC(=[NH2+])NCc1ccc(CN(C)C)cc1 ZINC000071847217 379663263 /nfs/dbraw/zinc/66/32/63/379663263.db2.gz NGQJSIUCGLXYMH-UHFFFAOYSA-N 1 3 260.385 1.729 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001663014558 1172628738 /nfs/dbraw/zinc/62/87/38/1172628738.db2.gz YVXRXDCMGORFCK-CABCVRRESA-N 1 3 281.444 1.921 10 30 CDEEHO C[NH+](C)CCC1CCN(CCOCCC#N)CC1 ZINC000338924260 391232901 /nfs/dbraw/zinc/23/29/01/391232901.db2.gz GGFHRBPKJCKDHK-UHFFFAOYSA-N 1 3 253.390 1.580 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001663680128 1172746712 /nfs/dbraw/zinc/74/67/12/1172746712.db2.gz XLEQVWWLXJCOJS-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CC[C@]1(C(=O)N(C)C2CCN(C)CC2)CCC[NH2+]1 ZINC000662767797 413467075 /nfs/dbraw/zinc/46/70/75/413467075.db2.gz XJEGEYPDNZUUSP-OAHLLOKOSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CC[C@]1(C(=O)Nc2ccc3c(c2)CNC3)CCC[NH2+]1 ZINC000662783274 413493337 /nfs/dbraw/zinc/49/33/37/413493337.db2.gz DHSDXTLQHYTCKT-MRXNPFEDSA-N 1 3 271.364 1.927 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001665787790 1173060502 /nfs/dbraw/zinc/06/05/02/1173060502.db2.gz JSZJYRSUZIZXEE-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO C[NH+]1CCC(CNC(=O)c2cccc(C#CCN)c2)CC1 ZINC000044527361 175192536 /nfs/dbraw/zinc/19/25/36/175192536.db2.gz DMICPKWIFPTEFF-UHFFFAOYSA-N 1 3 285.391 1.068 10 30 CDEEHO CN1CC[C@H](C[N@H+](C)Cc2ccccc2C#CCCO)C1 ZINC000071190489 176066810 /nfs/dbraw/zinc/06/68/10/176066810.db2.gz RLLBEGIYFXNKQF-INIZCTEOSA-N 1 3 286.419 1.804 10 30 CDEEHO CN1CC[C@H](C[N@@H+](C)Cc2ccccc2C#CCCO)C1 ZINC000071190489 176066811 /nfs/dbraw/zinc/06/68/11/176066811.db2.gz RLLBEGIYFXNKQF-INIZCTEOSA-N 1 3 286.419 1.804 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)CCC ZINC001667764497 1173322579 /nfs/dbraw/zinc/32/25/79/1173322579.db2.gz QHUQGBZKSLRGNG-GJZGRUSLSA-N 1 3 281.444 1.779 10 30 CDEEHO CCN(CC)[C@H]1CCN(C(NC2CCC2)=[NH+]C)C1 ZINC000262795269 330032048 /nfs/dbraw/zinc/03/20/48/330032048.db2.gz PKIJHNYMTPXDFI-ZDUSSCGKSA-N 1 3 252.406 1.530 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001714561271 1179216648 /nfs/dbraw/zinc/21/66/48/1179216648.db2.gz OVOGLNLSNGXFKX-HNNXBMFYSA-N 1 3 285.407 1.433 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001714561271 1179216654 /nfs/dbraw/zinc/21/66/54/1179216654.db2.gz OVOGLNLSNGXFKX-HNNXBMFYSA-N 1 3 285.407 1.433 10 30 CDEEHO C=CC[N@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001718033140 1180977677 /nfs/dbraw/zinc/97/76/77/1180977677.db2.gz AEMXMMFUKVFMQX-UHFFFAOYSA-N 1 3 265.401 1.261 10 30 CDEEHO C=CC[N@@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001718033140 1180977685 /nfs/dbraw/zinc/97/76/85/1180977685.db2.gz AEMXMMFUKVFMQX-UHFFFAOYSA-N 1 3 265.401 1.261 10 30 CDEEHO NCC#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000049608677 527153014 /nfs/dbraw/zinc/15/30/14/527153014.db2.gz HGPHCKLEAAMKCF-KRWDZBQOSA-N 1 3 272.392 1.734 10 30 CDEEHO NCC#Cc1ccccc1C[N@H+]1CCCC[C@H]1CCO ZINC000049608677 527153015 /nfs/dbraw/zinc/15/30/15/527153015.db2.gz HGPHCKLEAAMKCF-KRWDZBQOSA-N 1 3 272.392 1.734 10 30 CDEEHO C#CC[N@H+](C)CCCN[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894631654 618998285 /nfs/dbraw/zinc/99/82/85/618998285.db2.gz NFKJYXFOQYBIBP-KBPBESRZSA-N 1 3 284.375 1.165 10 30 CDEEHO C#CC[N@@H+](C)CCCN[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894631654 618998287 /nfs/dbraw/zinc/99/82/87/618998287.db2.gz NFKJYXFOQYBIBP-KBPBESRZSA-N 1 3 284.375 1.165 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000900659987 623339569 /nfs/dbraw/zinc/33/95/69/623339569.db2.gz BXYOZKCPOJTCOW-AWEZNQCLSA-N 1 3 265.401 1.047 10 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/nfs/dbraw/zinc/15/30/32/1174153032.db2.gz JTQAADHHPTVXSE-KKUMJFAQSA-N 1 3 279.428 1.531 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC)C2)CC1 ZINC001690368158 1175451483 /nfs/dbraw/zinc/45/14/83/1175451483.db2.gz OMWJANWKMKCXPZ-IYBDPMFKSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001699422874 1176387373 /nfs/dbraw/zinc/38/73/73/1176387373.db2.gz QAAKXGNFHKJEPA-ZDUSSCGKSA-N 1 3 269.433 1.635 10 30 CDEEHO C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001699554339 1176472413 /nfs/dbraw/zinc/47/24/13/1176472413.db2.gz ORXGAOKNZBPBEF-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001707446309 1178051506 /nfs/dbraw/zinc/05/15/06/1178051506.db2.gz PAFVGGZBSWZQLL-HIFRSBDPSA-N 1 3 290.411 1.888 10 30 CDEEHO C=CC[N@@H+](CC)CCCNC(=O)[C@H]1CCCCN1CC ZINC001713031122 1178317461 /nfs/dbraw/zinc/31/74/61/1178317461.db2.gz OJLKZXWMLAUHQC-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[N@H+](CC)CCCNC(=O)[C@H]1CCCCN1CC ZINC001713031122 1178317468 /nfs/dbraw/zinc/31/74/68/1178317468.db2.gz OJLKZXWMLAUHQC-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001713278134 1178463944 /nfs/dbraw/zinc/46/39/44/1178463944.db2.gz REWWEEUSDYRXQD-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001713867041 1178803375 /nfs/dbraw/zinc/80/33/75/1178803375.db2.gz ZWKFSUROCBKCPM-HNNXBMFYSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001714157571 1178994845 /nfs/dbraw/zinc/99/48/45/1178994845.db2.gz SZZAPJGXUMSVMG-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001714157571 1178994850 /nfs/dbraw/zinc/99/48/50/1178994850.db2.gz SZZAPJGXUMSVMG-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCN(CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001714669246 1179312397 /nfs/dbraw/zinc/31/23/97/1179312397.db2.gz HCLZKLPAKGOJIM-UHFFFAOYSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCC[NH2+]C[C@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001715118191 1179557846 /nfs/dbraw/zinc/55/78/46/1179557846.db2.gz AXOSLSUCFGNZOL-INIZCTEOSA-N 1 3 290.411 1.711 10 30 CDEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001717109410 1180533182 /nfs/dbraw/zinc/53/31/82/1180533182.db2.gz CVDSORURQHTIPE-UONOGXRCSA-N 1 3 299.846 1.519 10 30 CDEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001717109410 1180533185 /nfs/dbraw/zinc/53/31/85/1180533185.db2.gz CVDSORURQHTIPE-UONOGXRCSA-N 1 3 299.846 1.519 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001717186832 1180564510 /nfs/dbraw/zinc/56/45/10/1180564510.db2.gz TZFCIKRVOYCYBW-OAHLLOKOSA-N 1 3 297.443 1.110 10 30 CDEEHO C=CC[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001717385137 1180641716 /nfs/dbraw/zinc/64/17/16/1180641716.db2.gz XHQLLZQFHOZIGR-UHFFFAOYSA-N 1 3 265.401 1.141 10 30 CDEEHO C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001717445056 1180676365 /nfs/dbraw/zinc/67/63/65/1180676365.db2.gz LKDSARXASNDSKQ-GPANFISMSA-N 1 3 291.439 1.463 10 30 CDEEHO CC#CCN1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001717843181 1180888506 /nfs/dbraw/zinc/88/85/06/1180888506.db2.gz WHOPXAFJRGGZHG-DOTOQJQBSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC)CC1 ZINC001724065303 1181632802 /nfs/dbraw/zinc/63/28/02/1181632802.db2.gz RWFWEOZAPFKLAS-UHFFFAOYSA-N 1 3 279.428 1.273 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)CN(C)CCC)C(C)(C)C ZINC001725753139 1182121512 /nfs/dbraw/zinc/12/15/12/1182121512.db2.gz TTWSFZHOCMDIJU-CYBMUJFWSA-N 1 3 269.433 1.635 10 30 CDEEHO CC#CCN1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001733695495 1183498003 /nfs/dbraw/zinc/49/80/03/1183498003.db2.gz FSLDVUSBHFYGTF-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO CC#CCN1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001733695495 1183498006 /nfs/dbraw/zinc/49/80/06/1183498006.db2.gz FSLDVUSBHFYGTF-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001734424029 1183773740 /nfs/dbraw/zinc/77/37/40/1183773740.db2.gz DIPPOOJMRRSUQF-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CCC)C[C@@H]21 ZINC001734451307 1183782411 /nfs/dbraw/zinc/78/24/11/1183782411.db2.gz WPJWCOLVZLSUBJ-HRCADAONSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000876838478 776589094 /nfs/dbraw/zinc/58/90/94/776589094.db2.gz KMTFYUXQOSLJND-GHMZBOCLSA-N 1 3 259.781 1.044 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000876756101 774823109 /nfs/dbraw/zinc/82/31/09/774823109.db2.gz ZKADIPZGOKFSRI-STQMWFEESA-N 1 3 285.819 1.543 10 30 CDEEHO C#CCN1CCC(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000874844814 778332208 /nfs/dbraw/zinc/33/22/08/778332208.db2.gz TYRDHBACQPWAKR-HZPDHXFCSA-N 1 3 289.423 1.027 10 30 CDEEHO C#CCN1CCC(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000874844814 778332218 /nfs/dbraw/zinc/33/22/18/778332218.db2.gz TYRDHBACQPWAKR-HZPDHXFCSA-N 1 3 289.423 1.027 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000876740534 778351419 /nfs/dbraw/zinc/35/14/19/778351419.db2.gz IMEIJDBHWZTANQ-LBPRGKRZSA-N 1 3 273.808 1.304 10 30 CDEEHO C=CCN1CC[C@H](N2CCC3(CC2)CC[NH+](C)CC3)C1=O ZINC000879250846 778388357 /nfs/dbraw/zinc/38/83/57/778388357.db2.gz KAIWZOLFMSQWEP-HNNXBMFYSA-N 1 3 291.439 1.581 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001566739261 1168405714 /nfs/dbraw/zinc/40/57/14/1168405714.db2.gz WFLROUAHZBARSZ-HZPDHXFCSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001566739261 1168405720 /nfs/dbraw/zinc/40/57/20/1168405720.db2.gz WFLROUAHZBARSZ-HZPDHXFCSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001566984888 1168488111 /nfs/dbraw/zinc/48/81/11/1168488111.db2.gz GNTPRTAEGBOVQY-NRXISQOPSA-N 1 3 281.444 1.776 10 30 CDEEHO C=CC[NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001266836766 896159017 /nfs/dbraw/zinc/15/90/17/896159017.db2.gz XGDVPVSPYXYPJA-UHFFFAOYSA-N 1 3 255.406 1.198 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001267589576 898596621 /nfs/dbraw/zinc/59/66/21/898596621.db2.gz KTZCOUFZHLWSCO-CVEARBPZSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001267589576 898596633 /nfs/dbraw/zinc/59/66/33/898596633.db2.gz KTZCOUFZHLWSCO-CVEARBPZSA-N 1 3 293.455 1.685 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267596336 898652525 /nfs/dbraw/zinc/65/25/25/898652525.db2.gz YHYOIBVACMNYNS-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267596336 898652528 /nfs/dbraw/zinc/65/25/28/898652528.db2.gz YHYOIBVACMNYNS-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001267826837 899825474 /nfs/dbraw/zinc/82/54/74/899825474.db2.gz CNFVZIVMLHTSEV-QWHCGFSZSA-N 1 3 255.406 1.243 10 30 CDEEHO CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001481513452 901006846 /nfs/dbraw/zinc/00/68/46/901006846.db2.gz OXXZKVZTONKUGM-INIZCTEOSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001481513452 901006859 /nfs/dbraw/zinc/00/68/59/901006859.db2.gz OXXZKVZTONKUGM-INIZCTEOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001268160873 901455095 /nfs/dbraw/zinc/45/50/95/901455095.db2.gz WMLKIBAOOJYZEC-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001268163612 901460589 /nfs/dbraw/zinc/46/05/89/901460589.db2.gz YYSAMNVVVWMNJI-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001268440130 902059301 /nfs/dbraw/zinc/05/93/01/902059301.db2.gz WWDYVWGYMXYLAK-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCCN1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269250213 903609546 /nfs/dbraw/zinc/60/95/46/903609546.db2.gz AVPXFZXCNXKRNB-GJZGRUSLSA-N 1 3 279.428 1.129 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001269494010 903859950 /nfs/dbraw/zinc/85/99/50/903859950.db2.gz MAVPNJXOALVMPA-UHFFFAOYSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CC(=C)C)CC1 ZINC001270603019 904778798 /nfs/dbraw/zinc/77/87/98/904778798.db2.gz JWRKTSJJJXRRFY-HNNXBMFYSA-N 1 3 291.439 1.250 10 30 CDEEHO CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001270744931 905010095 /nfs/dbraw/zinc/01/00/95/905010095.db2.gz RACZHIDQTVVDCK-GDBMZVCRSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[NH+]1CCC2(CN(C(=O)CN(C)CCC)C2)CC1 ZINC001280394225 906284484 /nfs/dbraw/zinc/28/44/84/906284484.db2.gz FRGLCUJKMKZIJM-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001483443628 911125129 /nfs/dbraw/zinc/12/51/29/911125129.db2.gz MNFJTLSNGAECNR-UONOGXRCSA-N 1 3 290.411 1.711 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001568075685 1169133072 /nfs/dbraw/zinc/13/30/72/1169133072.db2.gz GRPYFZFBPCGNHE-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001484988309 916346852 /nfs/dbraw/zinc/34/68/52/916346852.db2.gz SXVBZMDVYSCJOV-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCN1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001486183859 920789553 /nfs/dbraw/zinc/78/95/53/920789553.db2.gz NDXACYPUHOLQDD-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001273848470 926106276 /nfs/dbraw/zinc/10/62/76/926106276.db2.gz JSBOMTWNDGDKPE-KRWDZBQOSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001273848470 926106279 /nfs/dbraw/zinc/10/62/79/926106279.db2.gz JSBOMTWNDGDKPE-KRWDZBQOSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001281868406 942627145 /nfs/dbraw/zinc/62/71/45/942627145.db2.gz MEWPHCAJWQKEFG-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001281957668 942637001 /nfs/dbraw/zinc/63/70/01/942637001.db2.gz SZDJXVVKGDOBHU-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001281957668 942637004 /nfs/dbraw/zinc/63/70/04/942637004.db2.gz SZDJXVVKGDOBHU-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001283617594 942949579 /nfs/dbraw/zinc/94/95/79/942949579.db2.gz JNLHENHPTKJCPM-GJZGRUSLSA-N 1 3 283.460 1.975 10 30 CDEEHO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001283939868 943032891 /nfs/dbraw/zinc/03/28/91/943032891.db2.gz NSIDSMSLUZXUMM-HUUCEWRRSA-N 1 3 297.443 1.108 10 30 CDEEHO C=CC[NH+]1CCC([C@@H](C)NC(=O)CN(C)CCC)CC1 ZINC001284702475 943246120 /nfs/dbraw/zinc/24/61/20/943246120.db2.gz OXYAFLFKOPCGIX-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001284724028 943248598 /nfs/dbraw/zinc/24/85/98/943248598.db2.gz RDCMZPXSMSLZMG-HOCLYGCPSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@@H](F)CN(CC)CC)C(C)(C)C ZINC001332804838 943305995 /nfs/dbraw/zinc/30/59/95/943305995.db2.gz BKSUMTHFKPMAAO-KBPBESRZSA-N 1 3 299.434 1.420 10 30 CDEEHO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001263874249 944016518 /nfs/dbraw/zinc/01/65/18/944016518.db2.gz WRHXDCYTKBTFDB-JYJNAYRXSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001264403759 944127732 /nfs/dbraw/zinc/12/77/32/944127732.db2.gz XRQLSOSMDOEBLN-OKILXGFUSA-N 1 3 279.428 1.082 10 30 CDEEHO C#CCN(CCCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001265164642 944256491 /nfs/dbraw/zinc/25/64/91/944256491.db2.gz PFYMRPHWTIQWHJ-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN(CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001265164642 944256495 /nfs/dbraw/zinc/25/64/95/944256495.db2.gz PFYMRPHWTIQWHJ-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)CCC)CC1 ZINC001265334608 944348624 /nfs/dbraw/zinc/34/86/24/944348624.db2.gz VPOULZZOTOMLQY-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001265358795 944358976 /nfs/dbraw/zinc/35/89/76/944358976.db2.gz QLSHTNZBRTZDBY-JKSUJKDBSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001265481595 944404334 /nfs/dbraw/zinc/40/43/34/944404334.db2.gz PBIRCDLFLRWJRC-HDJSIYSDSA-N 1 3 279.428 1.674 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001265833118 944532637 /nfs/dbraw/zinc/53/26/37/944532637.db2.gz XQIMHCVBNLQESJ-LSDHHAIUSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1C ZINC001479724365 971384526 /nfs/dbraw/zinc/38/45/26/971384526.db2.gz MIITZIRCFOCXAC-QLFBSQMISA-N 1 3 279.428 1.175 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1C ZINC001479724365 971384530 /nfs/dbraw/zinc/38/45/30/971384530.db2.gz MIITZIRCFOCXAC-QLFBSQMISA-N 1 3 279.428 1.175 10 30 CDEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CCC)CC1 ZINC001324420284 953382568 /nfs/dbraw/zinc/38/25/68/953382568.db2.gz OKZBLQNKCPCINL-INIZCTEOSA-N 1 3 293.455 1.663 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001326350799 954334896 /nfs/dbraw/zinc/33/48/96/954334896.db2.gz DBSTXHQCKXEACN-HUUCEWRRSA-N 1 3 281.444 1.587 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001328621347 955381195 /nfs/dbraw/zinc/38/11/95/955381195.db2.gz IBXGJSFPOWKHSH-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001491894198 955494761 /nfs/dbraw/zinc/49/47/61/955494761.db2.gz NAFAMSCZQRAVLA-KGLIPLIRSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H](CC)N(C)C ZINC001492085358 955646319 /nfs/dbraw/zinc/64/63/19/955646319.db2.gz RIMGGSMHXUANAL-OLZOCXBDSA-N 1 3 255.406 1.387 10 30 CDEEHO C#CCC[NH2+][C@@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001329766167 956105260 /nfs/dbraw/zinc/10/52/60/956105260.db2.gz WADNGORIFHQJDS-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001317625207 957606651 /nfs/dbraw/zinc/60/66/51/957606651.db2.gz CEHUFXBZWLNIRW-UHFFFAOYSA-N 1 3 267.417 1.036 10 30 CDEEHO C=C(Cl)CNC[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001367221185 957851581 /nfs/dbraw/zinc/85/15/81/957851581.db2.gz QKFYBJCPKBXERK-GXTWGEPZSA-N 1 3 299.846 1.661 10 30 CDEEHO C=C(Cl)CNC[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367221185 957851593 /nfs/dbraw/zinc/85/15/93/957851593.db2.gz QKFYBJCPKBXERK-GXTWGEPZSA-N 1 3 299.846 1.661 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001319926542 958792574 /nfs/dbraw/zinc/79/25/74/958792574.db2.gz CGGXNOBDNSKZAY-HNNXBMFYSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001320550536 959235960 /nfs/dbraw/zinc/23/59/60/959235960.db2.gz YEXVOPUGPVKJIN-CYBMUJFWSA-N 1 3 269.433 1.635 10 30 CDEEHO C[C@H](CNCC#Cc1ccccc1)NC(=O)CC[NH+](C)C ZINC001321642853 959885771 /nfs/dbraw/zinc/88/57/71/959885771.db2.gz YWEJKVCUAXPZKU-OAHLLOKOSA-N 1 3 287.407 1.084 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001341716581 963519739 /nfs/dbraw/zinc/51/97/39/963519739.db2.gz IVAYWPYTLIDJNT-MJBXVCDLSA-N 1 3 267.417 1.611 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001341716581 963519744 /nfs/dbraw/zinc/51/97/44/963519744.db2.gz IVAYWPYTLIDJNT-MJBXVCDLSA-N 1 3 267.417 1.611 10 30 CDEEHO C=C(C)CN1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500253613 974410070 /nfs/dbraw/zinc/41/00/70/974410070.db2.gz IRPBEANKSXWBEH-HNNXBMFYSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001501147432 974542642 /nfs/dbraw/zinc/54/26/42/974542642.db2.gz XYBWIFQXPDXGND-UONOGXRCSA-N 1 3 267.417 1.198 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001502363646 974725867 /nfs/dbraw/zinc/72/58/67/974725867.db2.gz QVYJHVKJQZOIDY-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001502363646 974725871 /nfs/dbraw/zinc/72/58/71/974725871.db2.gz QVYJHVKJQZOIDY-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCN1CCC ZINC001676222653 1174194333 /nfs/dbraw/zinc/19/43/33/1174194333.db2.gz WKFOWUQALRHPKQ-CVEARBPZSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001676250315 1174196461 /nfs/dbraw/zinc/19/64/61/1174196461.db2.gz WOJRLQJNTIBLTH-GOEBONIOSA-N 1 3 293.455 1.731 10 30 CDEEHO C#CCN1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001677342143 1174351902 /nfs/dbraw/zinc/35/19/02/1174351902.db2.gz POPVTLLQSLTVDY-HUUCEWRRSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001677342143 1174351907 /nfs/dbraw/zinc/35/19/07/1174351907.db2.gz POPVTLLQSLTVDY-HUUCEWRRSA-N 1 3 291.439 1.178 10 30 CDEEHO C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594438243 342906433 /nfs/dbraw/zinc/90/64/33/342906433.db2.gz NNVCCVGKOYZDBR-GJZGRUSLSA-N 1 3 294.443 1.634 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000594449404 342909505 /nfs/dbraw/zinc/90/95/05/342909505.db2.gz IOOZNJAQRISZEG-QWHCGFSZSA-N 1 3 278.400 1.189 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000594457220 342911858 /nfs/dbraw/zinc/91/18/58/342911858.db2.gz WPLCWZJTVLJDLV-QLFBSQMISA-N 1 3 292.427 1.388 10 30 CDEEHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](N)CCCCC#N ZINC000594425058 342904056 /nfs/dbraw/zinc/90/40/56/342904056.db2.gz JMKUMOHMRKAISE-CHWSQXEVSA-N 1 3 268.405 1.229 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000594425488 342904163 /nfs/dbraw/zinc/90/41/63/342904163.db2.gz KKAQFIIUXGQYIX-AVGNSLFASA-N 1 3 266.389 1.031 10 30 CDEEHO CN1CC[C@@H](C[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000221344148 359629976 /nfs/dbraw/zinc/62/99/76/359629976.db2.gz SFFSEPVDDJCZIN-GDBMZVCRSA-N 1 3 273.380 1.475 10 30 CDEEHO CN1CC[C@@H](C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000221344148 359629979 /nfs/dbraw/zinc/62/99/79/359629979.db2.gz SFFSEPVDDJCZIN-GDBMZVCRSA-N 1 3 273.380 1.475 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626970713 367107928 /nfs/dbraw/zinc/10/79/28/367107928.db2.gz QLQJBPVEZKDGKZ-HIFRSBDPSA-N 1 3 294.443 1.467 10 30 CDEEHO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C#CCN)c(F)c1 ZINC000043583122 175070643 /nfs/dbraw/zinc/07/06/43/175070643.db2.gz DLNJJIOKXPLWSH-GFCCVEGCSA-N 1 3 291.370 1.206 10 30 CDEEHO COC[C@H](C)N(C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688961 175095727 /nfs/dbraw/zinc/09/57/27/175095727.db2.gz CMBCKIVXIAYYHR-NSHDSACASA-N 1 3 252.383 1.525 10 30 CDEEHO C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001700780000 1177129507 /nfs/dbraw/zinc/12/95/07/1177129507.db2.gz HORBMSMNJYNRIE-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001483585292 1160952464 /nfs/dbraw/zinc/95/24/64/1160952464.db2.gz IWPBXXGYDKWAQW-HUUCEWRRSA-N 1 3 279.428 1.080 10 30 CDEEHO CC(C)CN1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000055080703 519727024 /nfs/dbraw/zinc/72/70/24/519727024.db2.gz IPSCRZAWMQXNNZ-UHFFFAOYSA-N 1 3 291.464 1.832 10 30 CDEEHO COc1ccc(C[N@@H+]2CC[C@H](C)C2)cc1C#CCN ZINC000049609469 524037436 /nfs/dbraw/zinc/03/74/36/524037436.db2.gz GVOCESTWBDFQLB-ZDUSSCGKSA-N 1 3 258.365 1.847 10 30 CDEEHO COc1ccc(C[N@H+]2CC[C@H](C)C2)cc1C#CCN ZINC000049609469 524037438 /nfs/dbraw/zinc/03/74/38/524037438.db2.gz GVOCESTWBDFQLB-ZDUSSCGKSA-N 1 3 258.365 1.847 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333151910 526594479 /nfs/dbraw/zinc/59/44/79/526594479.db2.gz FIJWCYMTXDHCLM-OAHLLOKOSA-N 1 3 294.443 1.468 10 30 CDEEHO N#CCN1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925609440 617553625 /nfs/dbraw/zinc/55/36/25/617553625.db2.gz UCHDVLHQWVQAPD-IRXDYDNUSA-N 1 3 290.455 1.732 10 30 CDEEHO C[C@@H](NCCN1CCC([NH3+])CC1)c1ccc(C#N)cc1F ZINC000925811784 617754993 /nfs/dbraw/zinc/75/49/93/617754993.db2.gz LAFXSDZBULDXGB-GFCCVEGCSA-N 1 3 290.386 1.771 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000912306724 629916797 /nfs/dbraw/zinc/91/67/97/629916797.db2.gz MLLTXBWQCUBHKO-ZDUSSCGKSA-N 1 3 253.390 1.047 10 30 CDEEHO C#CCN(C(=O)N[C@@H](C)CC[NH+](C)C)C1CCN(C)CC1 ZINC000915152562 631659822 /nfs/dbraw/zinc/65/98/22/631659822.db2.gz DOGAMYHCFGJVGM-AWEZNQCLSA-N 1 3 294.443 1.066 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741277 1158796730 /nfs/dbraw/zinc/79/67/30/1158796730.db2.gz PJXKAGVMEUVPIL-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266741277 1158796735 /nfs/dbraw/zinc/79/67/35/1158796735.db2.gz PJXKAGVMEUVPIL-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001670507712 1158624885 /nfs/dbraw/zinc/62/48/85/1158624885.db2.gz SCCNQGYMGJOTKT-HNNXBMFYSA-N 1 3 293.455 1.921 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725495102 1159245595 /nfs/dbraw/zinc/24/55/95/1159245595.db2.gz LPLWVMGDKWPPLX-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001725495102 1159245599 /nfs/dbraw/zinc/24/55/99/1159245599.db2.gz LPLWVMGDKWPPLX-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732210385 1159750948 /nfs/dbraw/zinc/75/09/48/1159750948.db2.gz GLRGBEHCPGOOAH-CZUORRHYSA-N 1 3 297.418 1.317 10 30 CDEEHO C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001570561501 1170189456 /nfs/dbraw/zinc/18/94/56/1170189456.db2.gz VWLKGJWPPKXLLP-UYSNPLJNSA-N 1 3 293.455 1.920 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCCC1 ZINC001570801528 1170281869 /nfs/dbraw/zinc/28/18/69/1170281869.db2.gz YLBJXTUYXLFUJB-HNNXBMFYSA-N 1 3 291.439 1.370 10 30 CDEEHO C=CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001674925217 1174034808 /nfs/dbraw/zinc/03/48/08/1174034808.db2.gz CJUSFJQQNGCONG-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001674925217 1174034812 /nfs/dbraw/zinc/03/48/12/1174034812.db2.gz CJUSFJQQNGCONG-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001674925218 1174036344 /nfs/dbraw/zinc/03/63/44/1174036344.db2.gz CJUSFJQQNGCONG-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001674925218 1174036351 /nfs/dbraw/zinc/03/63/51/1174036351.db2.gz CJUSFJQQNGCONG-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001691909669 1175650235 /nfs/dbraw/zinc/65/02/35/1175650235.db2.gz ZRUINPIIASMRKB-JKSUJKDBSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001691909669 1175650236 /nfs/dbraw/zinc/65/02/36/1175650236.db2.gz ZRUINPIIASMRKB-JKSUJKDBSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001692026402 1175667648 /nfs/dbraw/zinc/66/76/48/1175667648.db2.gz KKHJBCQSGBIJMH-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001692026402 1175667655 /nfs/dbraw/zinc/66/76/55/1175667655.db2.gz KKHJBCQSGBIJMH-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001698769306 1175925177 /nfs/dbraw/zinc/92/51/77/1175925177.db2.gz YLRBZNUUIMHUIS-KBPBESRZSA-N 1 3 267.417 1.246 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001700179149 1176783901 /nfs/dbraw/zinc/78/39/01/1176783901.db2.gz OGCKFRCEPLMJGT-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001700179149 1176783904 /nfs/dbraw/zinc/78/39/04/1176783904.db2.gz OGCKFRCEPLMJGT-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+]CCC)CC1 ZINC001700689793 1177076793 /nfs/dbraw/zinc/07/67/93/1177076793.db2.gz NXZNTWNNSCILDW-HNNXBMFYSA-N 1 3 293.455 1.616 10 30 CDEEHO C=CCN1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001700888965 1177180437 /nfs/dbraw/zinc/18/04/37/1177180437.db2.gz RUYJZPASHCZLDB-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001700888965 1177180440 /nfs/dbraw/zinc/18/04/40/1177180440.db2.gz RUYJZPASHCZLDB-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001713310460 1178488873 /nfs/dbraw/zinc/48/88/73/1178488873.db2.gz VAWXONWIJMJZDS-ZIAGYGMSSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CC[NH2+][C@H](CC)CNC(=O)CN(C)CC(C)(C)C ZINC001714107528 1178976259 /nfs/dbraw/zinc/97/62/59/1178976259.db2.gz RTXGJRZTFJARBE-CYBMUJFWSA-N 1 3 267.417 1.082 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001714571715 1179226872 /nfs/dbraw/zinc/22/68/72/1179226872.db2.gz GWCHTAKINAHVLJ-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001714614128 1179267731 /nfs/dbraw/zinc/26/77/31/1179267731.db2.gz IPCIIPSQLISWBF-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714614128 1179267738 /nfs/dbraw/zinc/26/77/38/1179267738.db2.gz IPCIIPSQLISWBF-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001716414868 1180194475 /nfs/dbraw/zinc/19/44/75/1180194475.db2.gz WCZCOTFUHNRUFM-ZIAGYGMSSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001716824404 1180425993 /nfs/dbraw/zinc/42/59/93/1180425993.db2.gz CDTGXFAMHJKMEX-INIZCTEOSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001731379931 1182347953 /nfs/dbraw/zinc/34/79/53/1182347953.db2.gz ZJASQMUODFVNNP-AWEZNQCLSA-N 1 3 289.423 1.075 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001733653005 1183489358 /nfs/dbraw/zinc/48/93/58/1183489358.db2.gz SOEUNOQNJHZRSP-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000876925445 782227009 /nfs/dbraw/zinc/22/70/09/782227009.db2.gz GAOWFFBMSOWTNR-VXGBXAGGSA-N 1 3 279.771 1.373 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000848394341 782670553 /nfs/dbraw/zinc/67/05/53/782670553.db2.gz KHPRJRAQYJBFSV-CQSZACIVSA-N 1 3 290.367 1.374 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000876530276 782984919 /nfs/dbraw/zinc/98/49/19/782984919.db2.gz RVUSFITTYHJBQR-GFCCVEGCSA-N 1 3 279.771 1.741 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000876867809 780343280 /nfs/dbraw/zinc/34/32/80/780343280.db2.gz MQHFYUOTVFDGSR-QWRGUYRKSA-N 1 3 259.781 1.105 10 30 CDEEHO CCN(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)CC(C)C ZINC000066243266 780896086 /nfs/dbraw/zinc/89/60/86/780896086.db2.gz NNLUNJQBBVAJRV-GJZGRUSLSA-N 1 3 298.475 1.826 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000876510507 781026046 /nfs/dbraw/zinc/02/60/46/781026046.db2.gz UTVKGLUEJPXGSB-NSHDSACASA-N 1 3 273.808 1.624 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC)CC1 ZINC001037120390 781600082 /nfs/dbraw/zinc/60/00/82/781600082.db2.gz ILXSBXAKOSOOBU-CVEARBPZSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)CN(C)C(C)C ZINC001567266131 1168643988 /nfs/dbraw/zinc/64/39/88/1168643988.db2.gz GSRJDTYEBUAOFI-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN(C)C(C)C ZINC001567266131 1168643992 /nfs/dbraw/zinc/64/39/92/1168643992.db2.gz GSRJDTYEBUAOFI-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001567475097 1168793154 /nfs/dbraw/zinc/79/31/54/1168793154.db2.gz BNECOCQXRKGSGT-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001480951204 898111812 /nfs/dbraw/zinc/11/18/12/898111812.db2.gz RGRNGBARBTYMOQ-UHFFFAOYSA-N 1 3 267.417 1.487 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001269117210 903434249 /nfs/dbraw/zinc/43/42/49/903434249.db2.gz YAMFUAGWDSRBJL-HUUCEWRRSA-N 1 3 279.428 1.080 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CC(=C)C)CC1 ZINC001270603020 904779738 /nfs/dbraw/zinc/77/97/38/904779738.db2.gz JWRKTSJJJXRRFY-OAHLLOKOSA-N 1 3 291.439 1.250 10 30 CDEEHO C=C(C)CN1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001270650590 904884181 /nfs/dbraw/zinc/88/41/81/904884181.db2.gz WUJYCUHOAMEZQB-GDBMZVCRSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)CN1CC[C@@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001270650590 904884196 /nfs/dbraw/zinc/88/41/96/904884196.db2.gz WUJYCUHOAMEZQB-GDBMZVCRSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001271610695 906543539 /nfs/dbraw/zinc/54/35/39/906543539.db2.gz YYLNOZROBHRCBS-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001271852703 906900140 /nfs/dbraw/zinc/90/01/40/906900140.db2.gz BUGWSQJGTCRMCU-CQSZACIVSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001485686655 917183754 /nfs/dbraw/zinc/18/37/54/917183754.db2.gz BENDQGAQBYXGNW-IHRRRGAJSA-N 1 3 267.417 1.243 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486138507 920744303 /nfs/dbraw/zinc/74/43/03/920744303.db2.gz YBOKHDRXNLJJPM-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001486127936 920758707 /nfs/dbraw/zinc/75/87/07/920758707.db2.gz HZOXOYOOYGBMGE-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001491152526 936865518 /nfs/dbraw/zinc/86/55/18/936865518.db2.gz CFXMTQYXNPGGIF-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001490770650 927336202 /nfs/dbraw/zinc/33/62/02/927336202.db2.gz DQEIOIWXBWVAFG-CABCVRRESA-N 1 3 279.428 1.130 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001490770650 927336211 /nfs/dbraw/zinc/33/62/11/927336211.db2.gz DQEIOIWXBWVAFG-CABCVRRESA-N 1 3 279.428 1.130 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001568514731 1169341689 /nfs/dbraw/zinc/34/16/89/1169341689.db2.gz BEEHKTNNUMDCRZ-HZPDHXFCSA-N 1 3 293.455 1.826 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001568514731 1169341695 /nfs/dbraw/zinc/34/16/95/1169341695.db2.gz BEEHKTNNUMDCRZ-HZPDHXFCSA-N 1 3 293.455 1.826 10 30 CDEEHO C#CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001283173728 942845442 /nfs/dbraw/zinc/84/54/42/942845442.db2.gz NHOVAGPOZNKDTN-OAHLLOKOSA-N 1 3 293.455 1.759 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001277866904 943902167 /nfs/dbraw/zinc/90/21/67/943902167.db2.gz ZRDNYMOZYQEHDK-AWEZNQCLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001263819347 943987341 /nfs/dbraw/zinc/98/73/41/943987341.db2.gz SBDBIOQWGVLEII-LSDHHAIUSA-N 1 3 281.444 1.681 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001265357205 944357686 /nfs/dbraw/zinc/35/76/86/944357686.db2.gz WAFLIYUHIAWEFJ-HNNXBMFYSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001480254594 971650479 /nfs/dbraw/zinc/65/04/79/971650479.db2.gz FTUWDQQVLLGUBQ-HUUCEWRRSA-N 1 3 299.434 1.681 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001480254594 971650486 /nfs/dbraw/zinc/65/04/86/971650486.db2.gz FTUWDQQVLLGUBQ-HUUCEWRRSA-N 1 3 299.434 1.681 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001493257820 971999197 /nfs/dbraw/zinc/99/91/97/971999197.db2.gz XBHZDWSJUBJGOM-CYBMUJFWSA-N 1 3 276.384 1.275 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001493257820 971999201 /nfs/dbraw/zinc/99/92/01/971999201.db2.gz XBHZDWSJUBJGOM-CYBMUJFWSA-N 1 3 276.384 1.275 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001327271199 954801903 /nfs/dbraw/zinc/80/19/03/954801903.db2.gz NOOXCCCSGRUYSL-UHFFFAOYSA-N 1 3 293.455 1.522 10 30 CDEEHO C#CCN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001328281657 955250155 /nfs/dbraw/zinc/25/01/55/955250155.db2.gz DONPZPIAYJZOPC-HZPDHXFCSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001330613285 956515726 /nfs/dbraw/zinc/51/57/26/956515726.db2.gz MCOUJYYRFYHAQO-KKUMJFAQSA-N 1 3 279.428 1.080 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001317934503 957824487 /nfs/dbraw/zinc/82/44/87/957824487.db2.gz ZSPPFGGKJDDRMJ-HUUCEWRRSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001317934503 957824498 /nfs/dbraw/zinc/82/44/98/957824498.db2.gz ZSPPFGGKJDDRMJ-HUUCEWRRSA-N 1 3 299.434 1.823 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC001319285778 958476543 /nfs/dbraw/zinc/47/65/43/958476543.db2.gz QTUGTLAEGSRULL-HNNXBMFYSA-N 1 3 293.455 1.330 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)CN1CC[C@@H](C)C1 ZINC001495058027 972391242 /nfs/dbraw/zinc/39/12/42/972391242.db2.gz MAYRGQHNISXHDR-ZIAGYGMSSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341695697 963515032 /nfs/dbraw/zinc/51/50/32/963515032.db2.gz ICECBVIWKDKIHP-OUAUKWLOSA-N 1 3 293.333 1.408 10 30 CDEEHO C=CCN1CCC(NC(=O)C2(C3CC[NH2+]CC3)CC2)CC1 ZINC001341697998 963515184 /nfs/dbraw/zinc/51/51/84/963515184.db2.gz XPNYCKITYQRDQA-UHFFFAOYSA-N 1 3 291.439 1.533 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CC#N)cc1 ZINC000849044843 969428928 /nfs/dbraw/zinc/42/89/28/969428928.db2.gz HVIVBFUABHLMQP-MRXNPFEDSA-N 1 3 299.422 1.851 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001499419489 974251915 /nfs/dbraw/zinc/25/19/15/974251915.db2.gz ZFKVUWXMYSKZGV-LBPRGKRZSA-N 1 3 253.390 1.141 10 30 CDEEHO C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001506616427 975190482 /nfs/dbraw/zinc/19/04/82/975190482.db2.gz MWHIJKKRXRXERC-UKRRQHHQSA-N 1 3 297.418 1.126 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C ZINC001508025505 975578302 /nfs/dbraw/zinc/57/83/02/975578302.db2.gz UNPSJBYINGPWTC-UONOGXRCSA-N 1 3 281.444 1.470 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CCCF)CC1 ZINC001675051478 1174068255 /nfs/dbraw/zinc/06/82/55/1174068255.db2.gz ZLYZILZRVKKYFS-AWEZNQCLSA-N 1 3 297.418 1.128 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCCF)CC1 ZINC001675051478 1174068261 /nfs/dbraw/zinc/06/82/61/1174068261.db2.gz ZLYZILZRVKKYFS-AWEZNQCLSA-N 1 3 297.418 1.128 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001675342709 1174104400 /nfs/dbraw/zinc/10/44/00/1174104400.db2.gz CNERTSWQNSDODI-GDBMZVCRSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001676222425 1174193685 /nfs/dbraw/zinc/19/36/85/1174193685.db2.gz QSWQSXHIBFZGOO-HNNXBMFYSA-N 1 3 279.428 1.483 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000594441940 342907715 /nfs/dbraw/zinc/90/77/15/342907715.db2.gz YWQRJCQAQPXRPV-CQSZACIVSA-N 1 3 280.416 1.390 10 30 CDEEHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600721073 342244735 /nfs/dbraw/zinc/24/47/35/342244735.db2.gz KUJGAIRPKWGVSJ-UONOGXRCSA-N 1 3 265.401 1.363 10 30 CDEEHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600721073 342244736 /nfs/dbraw/zinc/24/47/36/342244736.db2.gz KUJGAIRPKWGVSJ-UONOGXRCSA-N 1 3 265.401 1.363 10 30 CDEEHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600721073 342244737 /nfs/dbraw/zinc/24/47/37/342244737.db2.gz KUJGAIRPKWGVSJ-UONOGXRCSA-N 1 3 265.401 1.363 10 30 CDEEHO C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001661554511 1172405178 /nfs/dbraw/zinc/40/51/78/1172405178.db2.gz CBNAZLIOBZSJDD-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001661554511 1172405185 /nfs/dbraw/zinc/40/51/85/1172405185.db2.gz CBNAZLIOBZSJDD-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001662350851 1172534714 /nfs/dbraw/zinc/53/47/14/1172534714.db2.gz NYDGPPRGGSKXDX-KBPBESRZSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@H](C)CN2CCCCC2)CCC[NH2+]1 ZINC000662684331 413307298 /nfs/dbraw/zinc/30/72/98/413307298.db2.gz ZZTUITXABBOLGX-GDBMZVCRSA-N 1 3 279.428 1.675 10 30 CDEEHO C=CC[C@@]1(C(=O)NCCN(CC)C2CC2)CCC[NH2+]1 ZINC000662713841 413368129 /nfs/dbraw/zinc/36/81/29/413368129.db2.gz ZLJRVZCNHZWWTJ-HNNXBMFYSA-N 1 3 265.401 1.285 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000876783309 782013788 /nfs/dbraw/zinc/01/37/88/782013788.db2.gz YZMFWHYFEIDHBB-KPXOXKRLSA-N 1 3 271.792 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000876783309 782013799 /nfs/dbraw/zinc/01/37/99/782013799.db2.gz YZMFWHYFEIDHBB-KPXOXKRLSA-N 1 3 271.792 1.055 10 30 CDEEHO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(C#CCN)cs1 ZINC000043689080 175095513 /nfs/dbraw/zinc/09/55/13/175095513.db2.gz UNZHJZPKDCALFK-WCQYABFASA-N 1 3 291.420 1.144 10 30 CDEEHO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(C#CCN)cs1 ZINC000043689080 175095515 /nfs/dbraw/zinc/09/55/15/175095515.db2.gz UNZHJZPKDCALFK-WCQYABFASA-N 1 3 291.420 1.144 10 30 CDEEHO CN1CCCC[C@@H]1CNC(=O)c1cccc(C#CC[NH3+])c1 ZINC000044566226 175208628 /nfs/dbraw/zinc/20/86/28/175208628.db2.gz IBJRHPORFSYFRT-MRXNPFEDSA-N 1 3 285.391 1.211 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000876749656 782034524 /nfs/dbraw/zinc/03/45/24/782034524.db2.gz CBCLAQPYBYXHCX-AVGNSLFASA-N 1 3 287.835 1.835 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCN(C)C(=O)Cc1c[nH]cn1 ZINC001667632186 1173301951 /nfs/dbraw/zinc/30/19/51/1173301951.db2.gz WHBMHDAXGVJCAW-UHFFFAOYSA-N 1 3 264.373 1.309 10 30 CDEEHO C=C(C)CC[N@H+](C)CCN(C)C(=O)Cc1c[nH]cn1 ZINC001667632186 1173301955 /nfs/dbraw/zinc/30/19/55/1173301955.db2.gz WHBMHDAXGVJCAW-UHFFFAOYSA-N 1 3 264.373 1.309 10 30 CDEEHO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262675073 330026195 /nfs/dbraw/zinc/02/61/95/330026195.db2.gz ABJOXOHPVRLFEG-OUCADQQQSA-N 1 3 264.417 1.577 10 30 CDEEHO CCN1CCC[C@H]1CN(C)C(NC1CCC1)=[NH+]C ZINC000262791695 330031766 /nfs/dbraw/zinc/03/17/66/330031766.db2.gz OGGOYOHPUOCGKS-ZDUSSCGKSA-N 1 3 252.406 1.530 10 30 CDEEHO CNC(=[NH2+])N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000270131657 330073980 /nfs/dbraw/zinc/07/39/80/330073980.db2.gz PAZWSEFJPGEPJO-TZMCWYRMSA-N 1 3 260.385 1.574 10 30 CDEEHO CC1(C)COC[C@@H]1NCC#CC[NH2+][C@H]1COCC1(C)C ZINC000451813265 331043378 /nfs/dbraw/zinc/04/33/78/331043378.db2.gz QNOURPWILJXYPK-KBPBESRZSA-N 1 3 280.412 1.019 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268380060 1159914526 /nfs/dbraw/zinc/91/45/26/1159914526.db2.gz OQVWNHCJBIVCOJ-ZDUSSCGKSA-N 1 3 299.846 1.852 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001481781760 1159945699 /nfs/dbraw/zinc/94/56/99/1159945699.db2.gz HLHDRRDQBPBHCJ-MRXNPFEDSA-N 1 3 293.455 1.971 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001691693102 1161570950 /nfs/dbraw/zinc/57/09/50/1161570950.db2.gz ZCBBOHZGPMVBFO-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO CCN[C@](C)(C#N)C[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000068612669 520225817 /nfs/dbraw/zinc/22/58/17/520225817.db2.gz PJVOFFRQDHQPQZ-HOCLYGCPSA-N 1 3 280.460 1.930 10 30 CDEEHO C[C@@H]1CCC[N@@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608288 524261992 /nfs/dbraw/zinc/26/19/92/524261992.db2.gz NUJPNNIDQDBEPT-CQSZACIVSA-N 1 3 258.365 1.860 10 30 CDEEHO C[C@@H]1CCC[N@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608288 524261998 /nfs/dbraw/zinc/26/19/98/524261998.db2.gz NUJPNNIDQDBEPT-CQSZACIVSA-N 1 3 258.365 1.860 10 30 CDEEHO C=CCC[C@@H](O)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426927 618333723 /nfs/dbraw/zinc/33/37/23/618333723.db2.gz HWRPBWIRZFJBDM-CABCVRRESA-N 1 3 252.402 1.779 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000911511559 629311451 /nfs/dbraw/zinc/31/14/51/629311451.db2.gz JETJYIJVQCCIKB-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000912373321 629970075 /nfs/dbraw/zinc/97/00/75/629970075.db2.gz ALFWNWJPBNAAOM-OAHLLOKOSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001267203860 1159173928 /nfs/dbraw/zinc/17/39/28/1159173928.db2.gz ZNDHNSUJVSJNTP-UONOGXRCSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001267203860 1159173931 /nfs/dbraw/zinc/17/39/31/1159173931.db2.gz ZNDHNSUJVSJNTP-UONOGXRCSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CC[N@@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001267327656 1159267656 /nfs/dbraw/zinc/26/76/56/1159267656.db2.gz VQIOWKFPQMREGK-UHFFFAOYSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CC[N@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001267327656 1159267658 /nfs/dbraw/zinc/26/76/58/1159267658.db2.gz VQIOWKFPQMREGK-UHFFFAOYSA-N 1 3 265.401 1.237 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000876708501 1165897434 /nfs/dbraw/zinc/89/74/34/1165897434.db2.gz RVHIQJBDMNKKSS-SNVBAGLBSA-N 1 3 261.797 1.160 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000876717701 1165898723 /nfs/dbraw/zinc/89/87/23/1165898723.db2.gz JQKPLRHPMUFHPP-AWEZNQCLSA-N 1 3 299.846 1.933 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000876794453 1165917649 /nfs/dbraw/zinc/91/76/49/1165917649.db2.gz WDRYYIQQSBQMHK-JQWIXIFHSA-N 1 3 294.786 1.306 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CC(=C)C)CC1 ZINC001275037629 1166655531 /nfs/dbraw/zinc/65/55/31/1166655531.db2.gz ABMOYFWQUYABIW-CQSZACIVSA-N 1 3 277.412 1.002 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001568367175 1169261754 /nfs/dbraw/zinc/26/17/54/1169261754.db2.gz FNWQSLASNJTZAQ-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CCC1 ZINC001570106392 1170082395 /nfs/dbraw/zinc/08/23/95/1170082395.db2.gz AQCOTKYVAUTYBE-HNNXBMFYSA-N 1 3 291.439 1.513 10 30 CDEEHO C=CCN(C)CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001663239715 1172659659 /nfs/dbraw/zinc/65/96/59/1172659659.db2.gz MVUWBGCEFCLAIL-UHFFFAOYSA-N 1 3 289.423 1.638 10 30 CDEEHO C=CCC[N@H+](CC)CCNC(=O)C1(N(C)C)CCC1 ZINC001663388849 1172685961 /nfs/dbraw/zinc/68/59/61/1172685961.db2.gz IWQPRTIYJMXPGL-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCC[N@@H+](CC)CCNC(=O)C1(N(C)C)CCC1 ZINC001663388849 1172685966 /nfs/dbraw/zinc/68/59/66/1172685966.db2.gz IWQPRTIYJMXPGL-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001666800037 1173185792 /nfs/dbraw/zinc/18/57/92/1173185792.db2.gz COKRIFNNAASHEN-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCCC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001672869414 1173805184 /nfs/dbraw/zinc/80/51/84/1173805184.db2.gz SMIDBVCBIGSYGN-AWEZNQCLSA-N 1 3 290.411 1.747 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001688946432 1175075277 /nfs/dbraw/zinc/07/52/77/1175075277.db2.gz ZYYOLCGYQCMBJX-IHRRRGAJSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCC[NH2+]C/C=C\CNC(=O)Cc1nc[nH]c1C ZINC001699337016 1176258680 /nfs/dbraw/zinc/25/86/80/1176258680.db2.gz FEZVNIBOKVRCBO-WAYWQWQTSA-N 1 3 262.357 1.099 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001700183807 1176786634 /nfs/dbraw/zinc/78/66/34/1176786634.db2.gz HJJMJJPJJWGLIV-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001700183807 1176786638 /nfs/dbraw/zinc/78/66/38/1176786638.db2.gz HJJMJJPJJWGLIV-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CCC[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001701028179 1177245154 /nfs/dbraw/zinc/24/51/54/1177245154.db2.gz SIPZPBHSYGCQQB-UHFFFAOYSA-N 1 3 277.412 1.073 10 30 CDEEHO C=CCN1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001701054967 1177257909 /nfs/dbraw/zinc/25/79/09/1177257909.db2.gz HTDJYAJEEMMDID-UHFFFAOYSA-N 1 3 291.439 1.795 10 30 CDEEHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713278113 1178463374 /nfs/dbraw/zinc/46/33/74/1178463374.db2.gz QYOBLUDYVAGFPH-LSDHHAIUSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001713398191 1178536770 /nfs/dbraw/zinc/53/67/70/1178536770.db2.gz WBPJZVYABKSTJU-HNNXBMFYSA-N 1 3 290.411 1.841 10 30 CDEEHO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001713398191 1178536776 /nfs/dbraw/zinc/53/67/76/1178536776.db2.gz WBPJZVYABKSTJU-HNNXBMFYSA-N 1 3 290.411 1.841 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001713530684 1178629557 /nfs/dbraw/zinc/62/95/57/1178629557.db2.gz KNPOZRYRKYYWMR-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001713530684 1178629562 /nfs/dbraw/zinc/62/95/62/1178629562.db2.gz KNPOZRYRKYYWMR-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@H+](CCC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001714659756 1179305606 /nfs/dbraw/zinc/30/56/06/1179305606.db2.gz MATUWIZXNTYASF-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CC[N@@H+](CCC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001714659756 1179305610 /nfs/dbraw/zinc/30/56/10/1179305610.db2.gz MATUWIZXNTYASF-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(C)C[NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001715175220 1179569907 /nfs/dbraw/zinc/56/99/07/1179569907.db2.gz DBYVWGWBXSMCLD-UHFFFAOYSA-N 1 3 290.411 1.747 10 30 CDEEHO C#CCNC[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715368852 1179646247 /nfs/dbraw/zinc/64/62/47/1179646247.db2.gz MJXOYOHGDUEJSY-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001715493156 1179681635 /nfs/dbraw/zinc/68/16/35/1179681635.db2.gz RNGLJPHQJBENFZ-CQSZACIVSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)CC[NH2+]C/C=C/CNC(=O)CN1CCCC1 ZINC001716375699 1180172613 /nfs/dbraw/zinc/17/26/13/1180172613.db2.gz JDLOEGZJQYPJJT-ONEGZZNKSA-N 1 3 265.401 1.310 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001716447953 1180215728 /nfs/dbraw/zinc/21/57/28/1180215728.db2.gz RAFUQUSGABRUDW-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717376039 1180635369 /nfs/dbraw/zinc/63/53/69/1180635369.db2.gz IZIWHHVPTXGUCL-ZIAGYGMSSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001717376039 1180635376 /nfs/dbraw/zinc/63/53/76/1180635376.db2.gz IZIWHHVPTXGUCL-ZIAGYGMSSA-N 1 3 265.401 1.047 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001717550647 1180734487 /nfs/dbraw/zinc/73/44/87/1180734487.db2.gz DFUUXXZCQSFDOU-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001717651776 1180775929 /nfs/dbraw/zinc/77/59/29/1180775929.db2.gz QVDXNNGSYWTFQD-JOCQHMNTSA-N 1 3 276.384 1.321 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001722915899 1181493827 /nfs/dbraw/zinc/49/38/27/1181493827.db2.gz JDUWIOBGNNHFHD-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001722915899 1181493831 /nfs/dbraw/zinc/49/38/31/1181493831.db2.gz JDUWIOBGNNHFHD-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCC1 ZINC001724794150 1181755849 /nfs/dbraw/zinc/75/58/49/1181755849.db2.gz SRJHWHVRCOHSSX-UHFFFAOYSA-N 1 3 293.455 1.616 10 30 CDEEHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)N(C)C)C1 ZINC001725251792 1181939784 /nfs/dbraw/zinc/93/97/84/1181939784.db2.gz CZGPEKBCBOKTEG-UKRRQHHQSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001725364406 1181975190 /nfs/dbraw/zinc/97/51/90/1181975190.db2.gz PPDGAABTVZUFAF-JYJNAYRXSA-N 1 3 293.455 1.779 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001731486669 1182414685 /nfs/dbraw/zinc/41/46/85/1182414685.db2.gz TVKBELPBEUZGSH-KFWWJZLASA-N 1 3 279.428 1.531 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001731506360 1182424603 /nfs/dbraw/zinc/42/46/03/1182424603.db2.gz YUAWYIWPXSKNKQ-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001731506360 1182424606 /nfs/dbraw/zinc/42/46/06/1182424606.db2.gz YUAWYIWPXSKNKQ-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001732399468 1182945237 /nfs/dbraw/zinc/94/52/37/1182945237.db2.gz ANMJFZDDMLZUKN-UHFFFAOYSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CCCC[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001732999421 1183229804 /nfs/dbraw/zinc/22/98/04/1183229804.db2.gz UNJGTRIQEAGYCJ-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001734503644 1183802404 /nfs/dbraw/zinc/80/24/04/1183802404.db2.gz FPEYOEYLZPLLRA-AWEZNQCLSA-N 1 3 279.428 1.177 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876842808 1165925007 /nfs/dbraw/zinc/92/50/07/1165925007.db2.gz LQLYSLUBBVDOJN-YPMHNXCESA-N 1 3 271.792 1.058 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000876947288 1165945432 /nfs/dbraw/zinc/94/54/32/1165945432.db2.gz BQORIRWZCMBVIN-LBPRGKRZSA-N 1 3 285.750 1.371 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000876967320 1165950395 /nfs/dbraw/zinc/95/03/95/1165950395.db2.gz FBUVVPIEUZGDBS-GXTWGEPZSA-N 1 3 299.846 1.980 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000876967320 1165950401 /nfs/dbraw/zinc/95/04/01/1165950401.db2.gz FBUVVPIEUZGDBS-GXTWGEPZSA-N 1 3 299.846 1.980 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001567451116 1168771766 /nfs/dbraw/zinc/77/17/66/1168771766.db2.gz DODLWYQKRWHJFY-HZPDHXFCSA-N 1 3 291.439 1.770 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001567451116 1168771781 /nfs/dbraw/zinc/77/17/81/1168771781.db2.gz DODLWYQKRWHJFY-HZPDHXFCSA-N 1 3 291.439 1.770 10 30 CDEEHO C=C(C)C[N@H+](CC)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001266431355 894844923 /nfs/dbraw/zinc/84/49/23/894844923.db2.gz FJDKJSQDKLECNH-AWEZNQCLSA-N 1 3 269.433 1.587 10 30 CDEEHO C=C(C)C[N@@H+](CC)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001266431355 894844933 /nfs/dbraw/zinc/84/49/33/894844933.db2.gz FJDKJSQDKLECNH-AWEZNQCLSA-N 1 3 269.433 1.587 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001266751969 895971884 /nfs/dbraw/zinc/97/18/84/895971884.db2.gz MAVYKXDKLOTKQI-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001266751969 895971894 /nfs/dbraw/zinc/97/18/94/895971894.db2.gz MAVYKXDKLOTKQI-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267068495 896679895 /nfs/dbraw/zinc/67/98/95/896679895.db2.gz YAWVHNBHAJGEFN-ZIAGYGMSSA-N 1 3 267.417 1.197 10 30 CDEEHO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001267217423 897180184 /nfs/dbraw/zinc/18/01/84/897180184.db2.gz GOCHEMMPRVJWRN-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001267217423 897180190 /nfs/dbraw/zinc/18/01/90/897180190.db2.gz GOCHEMMPRVJWRN-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001267306689 897547929 /nfs/dbraw/zinc/54/79/29/897547929.db2.gz KITQHNMBLQTHRV-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001267306689 897547941 /nfs/dbraw/zinc/54/79/41/897547941.db2.gz KITQHNMBLQTHRV-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)C[C@H](C)CC)CC1 ZINC001480951322 898110700 /nfs/dbraw/zinc/11/07/00/898110700.db2.gz XARQGDAHNMGVSB-OAHLLOKOSA-N 1 3 293.455 1.426 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)C[C@H](C)CC)CC1 ZINC001480951322 898110710 /nfs/dbraw/zinc/11/07/10/898110710.db2.gz XARQGDAHNMGVSB-OAHLLOKOSA-N 1 3 293.455 1.426 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001481112768 898883312 /nfs/dbraw/zinc/88/33/12/898883312.db2.gz RZWDBDNNGGYATK-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001481112768 898883316 /nfs/dbraw/zinc/88/33/16/898883316.db2.gz RZWDBDNNGGYATK-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267689314 899288842 /nfs/dbraw/zinc/28/88/42/899288842.db2.gz DBUQFBYKFBSPFO-AWEZNQCLSA-N 1 3 290.411 1.699 10 30 CDEEHO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267689314 899288856 /nfs/dbraw/zinc/28/88/56/899288856.db2.gz DBUQFBYKFBSPFO-AWEZNQCLSA-N 1 3 290.411 1.699 10 30 CDEEHO C=CCC[NH2+][C@@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001267805101 899773375 /nfs/dbraw/zinc/77/33/75/899773375.db2.gz DQFCNRUQSDATRJ-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001267826833 899824224 /nfs/dbraw/zinc/82/42/24/899824224.db2.gz CNFVZIVMLHTSEV-CHWSQXEVSA-N 1 3 255.406 1.243 10 30 CDEEHO C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001481330158 900427341 /nfs/dbraw/zinc/42/73/41/900427341.db2.gz YEZKTNIMZZBLMB-ZBFHGGJFSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001268137762 901382893 /nfs/dbraw/zinc/38/28/93/901382893.db2.gz LCWDHOLTDABXRS-ZFWWWQNUSA-N 1 3 290.411 1.745 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268254874 901678130 /nfs/dbraw/zinc/67/81/30/901678130.db2.gz FZTCIYCBMSXVOD-CYBMUJFWSA-N 1 3 255.406 1.149 10 30 CDEEHO C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)N(C)C ZINC001268551497 902551488 /nfs/dbraw/zinc/55/14/88/902551488.db2.gz GIDLONJYDIISOA-NPQIQWPPSA-N 1 3 267.417 1.411 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268555803 902556774 /nfs/dbraw/zinc/55/67/74/902556774.db2.gz LOQDRKFCYWCSPB-XFCCUVRLSA-N 1 3 289.423 1.289 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001268555803 902556779 /nfs/dbraw/zinc/55/67/79/902556779.db2.gz LOQDRKFCYWCSPB-XFCCUVRLSA-N 1 3 289.423 1.289 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001482110192 902657702 /nfs/dbraw/zinc/65/77/02/902657702.db2.gz LXUNSTLRLCXTJW-KGLIPLIRSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558169 903930082 /nfs/dbraw/zinc/93/00/82/903930082.db2.gz WZAURMSNMJWJCM-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001482369190 905218440 /nfs/dbraw/zinc/21/84/40/905218440.db2.gz LLMXLLSFFBUGDW-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484162248 915485020 /nfs/dbraw/zinc/48/50/20/915485020.db2.gz YSXZFQQDKVIBEZ-INMHGKMJSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484162248 915485026 /nfs/dbraw/zinc/48/50/26/915485026.db2.gz YSXZFQQDKVIBEZ-INMHGKMJSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484523494 915853917 /nfs/dbraw/zinc/85/39/17/915853917.db2.gz AHZPGNOKGUPGBP-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C1([NH+](C)C)CCCC1 ZINC001139874328 936655211 /nfs/dbraw/zinc/65/52/11/936655211.db2.gz VAKHFQXRLDWBOC-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001273200484 924482330 /nfs/dbraw/zinc/48/23/30/924482330.db2.gz CCRULDDIHVDWMK-UHFFFAOYSA-N 1 3 267.417 1.531 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1c1ccccc1 ZINC000303792259 935044125 /nfs/dbraw/zinc/04/41/25/935044125.db2.gz YIPZTCBNKZGBCY-PMPSAXMXSA-N 1 3 286.423 1.931 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C1CCCC1 ZINC001278253563 945212171 /nfs/dbraw/zinc/21/21/71/945212171.db2.gz WQYJRLBAPPTRBV-LSDHHAIUSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001283340292 942880913 /nfs/dbraw/zinc/88/09/13/942880913.db2.gz HTQCRHPNRGWJEY-INIZCTEOSA-N 1 3 293.455 1.519 10 30 CDEEHO CC#CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001283340292 942880916 /nfs/dbraw/zinc/88/09/16/942880916.db2.gz HTQCRHPNRGWJEY-INIZCTEOSA-N 1 3 293.455 1.519 10 30 CDEEHO C#CCC[NH2+][C@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001284321994 943147059 /nfs/dbraw/zinc/14/70/59/943147059.db2.gz FCSKLHSEJLRLAW-GJZGRUSLSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001263250971 943807078 /nfs/dbraw/zinc/80/70/78/943807078.db2.gz WJWYZUFWCMJDRV-GHMZBOCLSA-N 1 3 259.781 1.105 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001265091250 944225352 /nfs/dbraw/zinc/22/53/52/944225352.db2.gz DEFHTAABWZULAO-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC)CC1 ZINC001278183850 945049054 /nfs/dbraw/zinc/04/90/54/945049054.db2.gz DAYMLKMLMDCGFP-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001479986230 971526145 /nfs/dbraw/zinc/52/61/45/971526145.db2.gz GOZCMMXPBXETSV-CABCVRRESA-N 1 3 293.455 1.729 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001480224071 971635924 /nfs/dbraw/zinc/63/59/24/971635924.db2.gz NWLJIVUUCIDRAA-KBXIAJHMSA-N 1 3 281.444 1.918 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001325597785 953979400 /nfs/dbraw/zinc/97/94/00/953979400.db2.gz GDMJDZJTSCFKBI-JKSUJKDBSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CC[N@@H+](CC)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001328588632 955358461 /nfs/dbraw/zinc/35/84/61/955358461.db2.gz IFGIWYBFILVZDP-UHFFFAOYSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CC[N@H+](CC)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001328588632 955358466 /nfs/dbraw/zinc/35/84/66/955358466.db2.gz IFGIWYBFILVZDP-UHFFFAOYSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491810762 955477602 /nfs/dbraw/zinc/47/76/02/955477602.db2.gz OQISWPNSYWWADJ-GJZGRUSLSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCCC1 ZINC001329845389 956139586 /nfs/dbraw/zinc/13/95/86/956139586.db2.gz FFFBLJWXDHHTRT-HNNXBMFYSA-N 1 3 293.455 1.923 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494158515 972190804 /nfs/dbraw/zinc/19/08/04/972190804.db2.gz BBDWUAIGOWERNH-HUUCEWRRSA-N 1 3 281.444 1.539 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494158515 972190808 /nfs/dbraw/zinc/19/08/08/972190808.db2.gz BBDWUAIGOWERNH-HUUCEWRRSA-N 1 3 281.444 1.539 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001317158584 956990995 /nfs/dbraw/zinc/99/09/95/956990995.db2.gz USGPRQYLNMUXEO-HZPDHXFCSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001332064725 957421418 /nfs/dbraw/zinc/42/14/18/957421418.db2.gz OUARPGXQRLKTTM-KGLIPLIRSA-N 1 3 267.417 1.482 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001317421261 957465416 /nfs/dbraw/zinc/46/54/16/957465416.db2.gz ABICVKMCBNDGRT-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001317421261 957465419 /nfs/dbraw/zinc/46/54/19/957465419.db2.gz ABICVKMCBNDGRT-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCCN1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494633181 972273687 /nfs/dbraw/zinc/27/36/87/972273687.db2.gz OIYDYTUEYCIPSY-MRXNPFEDSA-N 1 3 291.439 1.178 10 30 CDEEHO CC#CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001332422972 957558535 /nfs/dbraw/zinc/55/85/35/957558535.db2.gz KFKBXXDIRKTLOO-LSDHHAIUSA-N 1 3 293.455 1.423 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001317840955 957690934 /nfs/dbraw/zinc/69/09/34/957690934.db2.gz XZPJNYZRCNKEDS-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001317840955 957690942 /nfs/dbraw/zinc/69/09/42/957690942.db2.gz XZPJNYZRCNKEDS-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321066225 959568194 /nfs/dbraw/zinc/56/81/94/959568194.db2.gz ZBQBZEAUCLOMGI-FPLPWBNLSA-N 1 3 291.439 1.536 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1CC ZINC001569339855 1169773525 /nfs/dbraw/zinc/77/35/25/1169773525.db2.gz FROCSDDVSNTWML-ZFWWWQNUSA-N 1 3 290.411 1.745 10 30 CDEEHO C=CC[NH2+]CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001495416324 972493783 /nfs/dbraw/zinc/49/37/83/972493783.db2.gz RWZDOHGGBAZGBF-UHFFFAOYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001496453139 972927689 /nfs/dbraw/zinc/92/76/89/972927689.db2.gz XPLOZKYFEHSUFA-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001497484395 973364023 /nfs/dbraw/zinc/36/40/23/973364023.db2.gz MJNZCNNJYGWTEV-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[NH2+]CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001498630755 974004501 /nfs/dbraw/zinc/00/45/01/974004501.db2.gz WUMLMQOJHQMBJL-UHFFFAOYSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCN1CC[C@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001499615502 974274388 /nfs/dbraw/zinc/27/43/88/974274388.db2.gz DSJAHIMZUYMVBK-KRWDZBQOSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CCN1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001499615502 974274380 /nfs/dbraw/zinc/27/43/80/974274380.db2.gz DSJAHIMZUYMVBK-KRWDZBQOSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H](C)C1 ZINC001499845003 974314848 /nfs/dbraw/zinc/31/48/48/974314848.db2.gz TYQGTYCTQWDRGZ-GJZGRUSLSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001677033431 1174309498 /nfs/dbraw/zinc/30/94/98/1174309498.db2.gz ZIYDRKMISGCIFB-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H](N)CCCCC#N ZINC000594440652 342907131 /nfs/dbraw/zinc/90/71/31/342907131.db2.gz HJQAUYWMZOKEMJ-UONOGXRCSA-N 1 3 280.416 1.198 10 30 CDEEHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H](N)CCCCC#N ZINC000594440652 342907132 /nfs/dbraw/zinc/90/71/32/342907132.db2.gz HJQAUYWMZOKEMJ-UONOGXRCSA-N 1 3 280.416 1.198 10 30 CDEEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600716788 342244315 /nfs/dbraw/zinc/24/43/15/342244315.db2.gz MJJSMGHPZMODKC-OWCLPIDISA-N 1 3 293.455 1.999 10 30 CDEEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600716788 342244316 /nfs/dbraw/zinc/24/43/16/342244316.db2.gz MJJSMGHPZMODKC-OWCLPIDISA-N 1 3 293.455 1.999 10 30 CDEEHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600716788 342244317 /nfs/dbraw/zinc/24/43/17/342244317.db2.gz MJJSMGHPZMODKC-OWCLPIDISA-N 1 3 293.455 1.999 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000594424420 342904002 /nfs/dbraw/zinc/90/40/02/342904002.db2.gz DIFHFUNZBOPNDX-OAHLLOKOSA-N 1 3 292.427 1.388 10 30 CDEEHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](N)CCCCC#N ZINC000594424671 342904100 /nfs/dbraw/zinc/90/41/00/342904100.db2.gz HXBPEZQRTQSDAJ-OCCSQVGLSA-N 1 3 268.405 1.277 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000594425667 342904201 /nfs/dbraw/zinc/90/42/01/342904201.db2.gz LURBPKUNHCUAJV-CQSZACIVSA-N 1 3 286.379 1.682 10 30 CDEEHO C=C(C)C[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507336 345679250 /nfs/dbraw/zinc/67/92/50/345679250.db2.gz RZWCIPUEDHRICS-GJZGRUSLSA-N 1 3 283.460 1.977 10 30 CDEEHO C=C(C)C[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507336 345679251 /nfs/dbraw/zinc/67/92/51/345679251.db2.gz RZWCIPUEDHRICS-GJZGRUSLSA-N 1 3 283.460 1.977 10 30 CDEEHO C[NH+]=C(NCCCOC)NCCN1CCCCCC1 ZINC000069631647 378452419 /nfs/dbraw/zinc/45/24/19/378452419.db2.gz MQFQKNMXRXZGJN-UHFFFAOYSA-N 1 3 270.421 1.064 10 30 CDEEHO C[N@@H+]1CC[C@]2(CCN(CCCSCC#N)C2)C1 ZINC000368317624 390945254 /nfs/dbraw/zinc/94/52/54/390945254.db2.gz MZZWQHGICWPSKU-ZDUSSCGKSA-N 1 3 253.415 1.661 10 30 CDEEHO C[N@H+]1CC[C@]2(CCN(CCCSCC#N)C2)C1 ZINC000368317624 390945255 /nfs/dbraw/zinc/94/52/55/390945255.db2.gz MZZWQHGICWPSKU-ZDUSSCGKSA-N 1 3 253.415 1.661 10 30 CDEEHO CN1CCCC[C@H]1CC[N@H+](C)CCOCCC#N ZINC000339006125 391240085 /nfs/dbraw/zinc/24/00/85/391240085.db2.gz UIZRNTSDZYLGKO-AWEZNQCLSA-N 1 3 253.390 1.723 10 30 CDEEHO CN1CCCC[C@H]1CC[N@@H+](C)CCOCCC#N ZINC000339006125 391240090 /nfs/dbraw/zinc/24/00/90/391240090.db2.gz UIZRNTSDZYLGKO-AWEZNQCLSA-N 1 3 253.390 1.723 10 30 CDEEHO C=CCNC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294091 414620743 /nfs/dbraw/zinc/62/07/43/414620743.db2.gz IUCBBPLGQPCANB-CQSZACIVSA-N 1 3 265.401 1.000 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001666562797 1173152331 /nfs/dbraw/zinc/15/23/31/1173152331.db2.gz BGUQBMSAEZOOLA-AWEZNQCLSA-N 1 3 281.444 1.779 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001673380290 1173851283 /nfs/dbraw/zinc/85/12/83/1173851283.db2.gz KDLMLRUZTAYTPM-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001673380290 1173851289 /nfs/dbraw/zinc/85/12/89/1173851289.db2.gz KDLMLRUZTAYTPM-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)N1CCC(C)CC1 ZINC000261699441 329978451 /nfs/dbraw/zinc/97/84/51/329978451.db2.gz CHKNUOQBRJVRBD-KGLIPLIRSA-N 1 3 282.432 1.190 10 30 CDEEHO C[C@H]1CN(C(=[NH2+])NCC(C)(C)N2CCCCC2)CCO1 ZINC000262485453 330016792 /nfs/dbraw/zinc/01/67/92/330016792.db2.gz SJSXXRAYTUYWDD-ZDUSSCGKSA-N 1 3 282.432 1.286 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001267203858 1159173354 /nfs/dbraw/zinc/17/33/54/1159173354.db2.gz ZNDHNSUJVSJNTP-KGLIPLIRSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001267203858 1159173357 /nfs/dbraw/zinc/17/33/57/1159173357.db2.gz ZNDHNSUJVSJNTP-KGLIPLIRSA-N 1 3 265.401 1.237 10 30 CDEEHO CC#CCN[C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725495100 1159245959 /nfs/dbraw/zinc/24/59/59/1159245959.db2.gz LPLWVMGDKWPPLX-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN[C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001725495100 1159245963 /nfs/dbraw/zinc/24/59/63/1159245963.db2.gz LPLWVMGDKWPPLX-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001734041050 1183631268 /nfs/dbraw/zinc/63/12/68/1183631268.db2.gz SLRHQIKKLWHXJH-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001734041050 1183631269 /nfs/dbraw/zinc/63/12/69/1183631269.db2.gz SLRHQIKKLWHXJH-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO CCN1CCN(CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608712 521684063 /nfs/dbraw/zinc/68/40/63/521684063.db2.gz HRJBYULGHWPSLI-UHFFFAOYSA-N 1 3 287.407 1.013 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001690092940 1175371597 /nfs/dbraw/zinc/37/15/97/1175371597.db2.gz CNQLIBBFBXMFJR-KBPBESRZSA-N 1 3 285.407 1.433 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001690092940 1175371601 /nfs/dbraw/zinc/37/16/01/1175371601.db2.gz CNQLIBBFBXMFJR-KBPBESRZSA-N 1 3 285.407 1.433 10 30 CDEEHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001690211815 1175405374 /nfs/dbraw/zinc/40/53/74/1175405374.db2.gz ORZUOBHTJDEEQL-OKILXGFUSA-N 1 3 265.401 1.189 10 30 CDEEHO C[C@@H](NCC1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902794449 625413183 /nfs/dbraw/zinc/41/31/83/625413183.db2.gz VZKVVWLMNMQXBF-GFCCVEGCSA-N 1 3 258.369 1.946 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151199 630623877 /nfs/dbraw/zinc/62/38/77/630623877.db2.gz HMMGFROILZMXNK-WDEREUQCSA-N 1 3 273.808 1.351 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001690982198 1158512991 /nfs/dbraw/zinc/51/29/91/1158512991.db2.gz SPVULZBTEWDQMK-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001690982198 1158512996 /nfs/dbraw/zinc/51/29/96/1158512996.db2.gz SPVULZBTEWDQMK-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CCC ZINC001691378736 1159044106 /nfs/dbraw/zinc/04/41/06/1159044106.db2.gz PVEHKMYNEDBDKB-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001267203857 1159174068 /nfs/dbraw/zinc/17/40/68/1159174068.db2.gz ZNDHNSUJVSJNTP-KBPBESRZSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001267203857 1159174071 /nfs/dbraw/zinc/17/40/71/1159174071.db2.gz ZNDHNSUJVSJNTP-KBPBESRZSA-N 1 3 265.401 1.237 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000876738094 1165905238 /nfs/dbraw/zinc/90/52/38/1165905238.db2.gz 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1165938123 /nfs/dbraw/zinc/93/81/23/1165938123.db2.gz PSFNZXBFOFJXSM-AVGNSLFASA-N 1 3 285.819 1.447 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000876937457 1165944911 /nfs/dbraw/zinc/94/49/11/1165944911.db2.gz WZTPURBHZMHIRC-ZIAGYGMSSA-N 1 3 293.798 1.541 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000877206963 1165995396 /nfs/dbraw/zinc/99/53/96/1165995396.db2.gz TWRWUDAKLQQRLE-NSHDSACASA-N 1 3 273.808 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000877206963 1165995401 /nfs/dbraw/zinc/99/54/01/1165995401.db2.gz TWRWUDAKLQQRLE-NSHDSACASA-N 1 3 273.808 1.399 10 30 CDEEHO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001566694850 1168389594 /nfs/dbraw/zinc/38/95/94/1168389594.db2.gz OZBAADJDNWUNNY-HNNXBMFYSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001566905493 1168461645 /nfs/dbraw/zinc/46/16/45/1168461645.db2.gz QKEWGEHOUYJXEY-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001569921279 1170036232 /nfs/dbraw/zinc/03/62/32/1170036232.db2.gz IMGNJKNHHCTHPB-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001569921279 1170036239 /nfs/dbraw/zinc/03/62/39/1170036239.db2.gz IMGNJKNHHCTHPB-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CC[NH+]1CCC([C@@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001677335288 1174350547 /nfs/dbraw/zinc/35/05/47/1174350547.db2.gz UTTQOOUYEOILGM-CQSZACIVSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@H+]1CC[C@H](NC(=O)CN(C)CCC)CC(C)(C)C1 ZINC001692280138 1175723378 /nfs/dbraw/zinc/72/33/78/1175723378.db2.gz PQNACEMVAHEURQ-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[N@@H+]1CC[C@H](NC(=O)CN(C)CCC)CC(C)(C)C1 ZINC001692280138 1175723383 /nfs/dbraw/zinc/72/33/83/1175723383.db2.gz PQNACEMVAHEURQ-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001698847379 1175961669 /nfs/dbraw/zinc/96/16/69/1175961669.db2.gz HPSQZNHJJIFTNA-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCC1 ZINC001700159650 1176776399 /nfs/dbraw/zinc/77/63/99/1176776399.db2.gz ZHGPYBXZCSQKOS-AWEZNQCLSA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CC[NH2+][C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001700714627 1177087716 /nfs/dbraw/zinc/08/77/16/1177087716.db2.gz LQTAOPSSKFXIFS-CVEARBPZSA-N 1 3 295.471 1.716 10 30 CDEEHO CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001713278137 1178462849 /nfs/dbraw/zinc/46/28/49/1178462849.db2.gz REWWEEUSDYRXQD-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001713311678 1178490191 /nfs/dbraw/zinc/49/01/91/1178490191.db2.gz VVEGOEKAEQXZQK-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714446672 1179143405 /nfs/dbraw/zinc/14/34/05/1179143405.db2.gz VWXAJOWZIIWBJC-HZPDHXFCSA-N 1 3 293.455 1.519 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001714906815 1179447282 /nfs/dbraw/zinc/44/72/82/1179447282.db2.gz GEHBXIOPMZZPIN-MRXNPFEDSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001714906815 1179447287 /nfs/dbraw/zinc/44/72/87/1179447287.db2.gz GEHBXIOPMZZPIN-MRXNPFEDSA-N 1 3 293.455 1.829 10 30 CDEEHO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001716174066 1180083900 /nfs/dbraw/zinc/08/39/00/1180083900.db2.gz KKTXRMNXLGNQRR-CZUORRHYSA-N 1 3 297.418 1.317 10 30 CDEEHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001717632974 1180765280 /nfs/dbraw/zinc/76/52/80/1180765280.db2.gz XYSSYZDKKVXSMI-CALCHBBNSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001717632974 1180765284 /nfs/dbraw/zinc/76/52/84/1180765284.db2.gz XYSSYZDKKVXSMI-CALCHBBNSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CC[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001717705432 1180796923 /nfs/dbraw/zinc/79/69/23/1180796923.db2.gz FWFGAWBPWQRCSA-UHFFFAOYSA-N 1 3 267.417 1.435 10 30 CDEEHO C=CC[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001717705432 1180796933 /nfs/dbraw/zinc/79/69/33/1180796933.db2.gz FWFGAWBPWQRCSA-UHFFFAOYSA-N 1 3 267.417 1.435 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001724974780 1181810615 /nfs/dbraw/zinc/81/06/15/1181810615.db2.gz OXSCQSVKEMDGAW-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001725002903 1181820227 /nfs/dbraw/zinc/82/02/27/1181820227.db2.gz MQVMWRFHWKLDIW-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001725002903 1181820231 /nfs/dbraw/zinc/82/02/31/1181820231.db2.gz MQVMWRFHWKLDIW-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732971392 1183211928 /nfs/dbraw/zinc/21/19/28/1183211928.db2.gz AXJJZGKVMSJUHO-CJNGLKHVSA-N 1 3 299.434 1.869 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001733334721 1183400685 /nfs/dbraw/zinc/40/06/85/1183400685.db2.gz XKDZXDDLSZAGKB-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO CC#CCN1CCC(C)(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001733362648 1183410595 /nfs/dbraw/zinc/41/05/95/1183410595.db2.gz HWFQBIVZSDGRQX-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CCN1CCC(C)(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001733362648 1183410600 /nfs/dbraw/zinc/41/06/00/1183410600.db2.gz HWFQBIVZSDGRQX-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876753971 1165908930 /nfs/dbraw/zinc/90/89/30/1165908930.db2.gz AFBKAGQNGBDRKO-QWHCGFSZSA-N 1 3 265.401 1.126 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877249309 784113789 /nfs/dbraw/zinc/11/37/89/784113789.db2.gz ITCLSNBMTJPUQP-SRVKXCTJSA-N 1 3 271.792 1.009 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877249309 784113808 /nfs/dbraw/zinc/11/38/08/784113808.db2.gz ITCLSNBMTJPUQP-SRVKXCTJSA-N 1 3 271.792 1.009 10 30 CDEEHO CC[N@@H+]1CC[C@H](N(C)CCOCCC#N)[C@@H](C)C1 ZINC000815071038 784494747 /nfs/dbraw/zinc/49/47/47/784494747.db2.gz DAFBHADAPMDKAZ-KBPBESRZSA-N 1 3 253.390 1.579 10 30 CDEEHO CC[N@H+]1CC[C@H](N(C)CCOCCC#N)[C@@H](C)C1 ZINC000815071038 784494766 /nfs/dbraw/zinc/49/47/66/784494766.db2.gz DAFBHADAPMDKAZ-KBPBESRZSA-N 1 3 253.390 1.579 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000876873328 786393442 /nfs/dbraw/zinc/39/34/42/786393442.db2.gz CSHGWBXPWDUBID-CYBMUJFWSA-N 1 3 287.835 1.789 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876956441 787511536 /nfs/dbraw/zinc/51/15/36/787511536.db2.gz KDXXUPZWBADKIJ-RYUDHWBXSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876956441 787511558 /nfs/dbraw/zinc/51/15/58/787511558.db2.gz KDXXUPZWBADKIJ-RYUDHWBXSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000876787850 787804194 /nfs/dbraw/zinc/80/41/94/787804194.db2.gz WUVRMRBFOZPCOR-RWMBFGLXSA-N 1 3 285.819 1.447 10 30 CDEEHO C=CCNC(=O)CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156694 787892429 /nfs/dbraw/zinc/89/24/29/787892429.db2.gz CJHUCFZRRIOULS-ZBFHGGJFSA-N 1 3 293.455 1.908 10 30 CDEEHO CCCNC(N[C@@H]1CN(C(C)C)C[C@H]1C)=[NH+]CC ZINC000261962010 788084808 /nfs/dbraw/zinc/08/48/08/788084808.db2.gz KJFHZKGJLFKEKC-CHWSQXEVSA-N 1 3 254.422 1.680 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000876717037 789807155 /nfs/dbraw/zinc/80/71/55/789807155.db2.gz UGSDFDQQMWUUJI-LBPRGKRZSA-N 1 3 271.792 1.199 10 30 CDEEHO CC#CCN1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001566930575 1168471742 /nfs/dbraw/zinc/47/17/42/1168471742.db2.gz ZVRXFIYFJUMAIQ-OAHLLOKOSA-N 1 3 277.412 1.076 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001567409767 1168740821 /nfs/dbraw/zinc/74/08/21/1168740821.db2.gz OPHPRMATTUDTII-HNNXBMFYSA-N 1 3 295.471 1.979 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001567409767 1168740835 /nfs/dbraw/zinc/74/08/35/1168740835.db2.gz OPHPRMATTUDTII-HNNXBMFYSA-N 1 3 295.471 1.979 10 30 CDEEHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266897516 896299086 /nfs/dbraw/zinc/29/90/86/896299086.db2.gz NOYJMWCJZPMXLH-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+]C[C@@](C)(NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001267858042 899883484 /nfs/dbraw/zinc/88/34/84/899883484.db2.gz LIFASBJXIGHAHV-RHSMWYFYSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001342739377 901178412 /nfs/dbraw/zinc/17/84/12/901178412.db2.gz UCJYPZFQLCURSA-ZFWWWQNUSA-N 1 3 265.401 1.415 10 30 CDEEHO C=CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001269449058 903817459 /nfs/dbraw/zinc/81/74/59/903817459.db2.gz SOPIIMLMUJNCBO-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001482875660 908453458 /nfs/dbraw/zinc/45/34/58/908453458.db2.gz XGIUQNXRPPTQJD-NEPJUHHUSA-N 1 3 275.824 1.564 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001483915181 915187724 /nfs/dbraw/zinc/18/77/24/915187724.db2.gz VFXLAVQOBVMZTE-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484358133 915669635 /nfs/dbraw/zinc/66/96/35/915669635.db2.gz UOZRDRVRQCUZIN-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484358134 915670003 /nfs/dbraw/zinc/67/00/03/915670003.db2.gz UOZRDRVRQCUZIN-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001272844802 919904093 /nfs/dbraw/zinc/90/40/93/919904093.db2.gz LISFHBMXLYMJTJ-KGLIPLIRSA-N 1 3 267.417 1.080 10 30 CDEEHO C=C(C[NH+](C)C)C(=O)N(CCN(C)C)c1ccccc1 ZINC001142649242 937045852 /nfs/dbraw/zinc/04/58/52/937045852.db2.gz PXWZTOPAFOTQEF-UHFFFAOYSA-N 1 3 275.396 1.699 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001490708237 927292652 /nfs/dbraw/zinc/29/26/52/927292652.db2.gz AQUZCKKLWSBVNY-HIFRSBDPSA-N 1 3 279.428 1.389 10 30 CDEEHO C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001274362787 931493721 /nfs/dbraw/zinc/49/37/21/931493721.db2.gz HBPVEJYVIVZIHN-CQSZACIVSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCC[N@@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001275927934 932145228 /nfs/dbraw/zinc/14/52/28/932145228.db2.gz BLIKILBJIJPBCD-CQSZACIVSA-N 1 3 283.460 1.977 10 30 CDEEHO C=CCC[N@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001275927934 932145232 /nfs/dbraw/zinc/14/52/32/932145232.db2.gz BLIKILBJIJPBCD-CQSZACIVSA-N 1 3 283.460 1.977 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001122495017 937937104 /nfs/dbraw/zinc/93/71/04/937937104.db2.gz MJVZDVLWYMPDMO-STQMWFEESA-N 1 3 253.390 1.176 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001284248144 943131970 /nfs/dbraw/zinc/13/19/70/943131970.db2.gz SXPRBGQEDFMYRX-ZIAGYGMSSA-N 1 3 267.417 1.387 10 30 CDEEHO CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001284699171 943243897 /nfs/dbraw/zinc/24/38/97/943243897.db2.gz BQKGPGPMADNAOW-ZBFHGGJFSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001277694448 943343423 /nfs/dbraw/zinc/34/34/23/943343423.db2.gz POXCKQRAJQKBKR-HNNXBMFYSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001265682558 944468532 /nfs/dbraw/zinc/46/85/32/944468532.db2.gz UGGKESDTECADHH-CABCVRRESA-N 1 3 279.428 1.485 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001266011436 944628421 /nfs/dbraw/zinc/62/84/21/944628421.db2.gz WDVBHJLUHIURJL-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)CCCCCC)C1 ZINC001278403117 947622923 /nfs/dbraw/zinc/62/29/23/947622923.db2.gz GOCRRVUNMRZXDT-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001480238290 971641399 /nfs/dbraw/zinc/64/13/99/971641399.db2.gz QUXAFIYFHZZGMA-BETUJISGSA-N 1 3 253.390 1.140 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001328673947 955409388 /nfs/dbraw/zinc/40/93/88/955409388.db2.gz HWLWVSCUFSOGML-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001329032531 955641144 /nfs/dbraw/zinc/64/11/44/955641144.db2.gz GLBSGHAEKOIJKB-UONOGXRCSA-N 1 3 279.428 1.367 10 30 CDEEHO C=C(Cl)C[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001422294924 955923400 /nfs/dbraw/zinc/92/34/00/955923400.db2.gz XLKXNQUSJREVIZ-UHFFFAOYSA-N 1 3 287.835 1.564 10 30 CDEEHO C=C(C)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001330230939 956338344 /nfs/dbraw/zinc/33/83/44/956338344.db2.gz UFRIQXCASPMHMP-CQSZACIVSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001318482648 958126311 /nfs/dbraw/zinc/12/63/11/958126311.db2.gz LADDPZAFGSGICF-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001318482648 958126319 /nfs/dbraw/zinc/12/63/19/958126319.db2.gz LADDPZAFGSGICF-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001333237856 958179165 /nfs/dbraw/zinc/17/91/65/958179165.db2.gz SOGBUOPRLYXQNO-MNOVXSKESA-N 1 3 259.781 1.057 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001318851539 958281179 /nfs/dbraw/zinc/28/11/79/958281179.db2.gz RURWYGWOEDINAV-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C#CCNC[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001319593732 958643592 /nfs/dbraw/zinc/64/35/92/958643592.db2.gz QMKHXYMQPYFHDK-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001319594973 958646614 /nfs/dbraw/zinc/64/66/14/958646614.db2.gz XUSGAYFHKACERH-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001319594977 958646846 /nfs/dbraw/zinc/64/68/46/958646846.db2.gz XUSGAYFHKACERH-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001320548173 959232603 /nfs/dbraw/zinc/23/26/03/959232603.db2.gz JPANIHGVKFFCJP-ZIAGYGMSSA-N 1 3 267.417 1.389 10 30 CDEEHO C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCCN1CC ZINC001321419334 959776771 /nfs/dbraw/zinc/77/67/71/959776771.db2.gz OVTLZHRWCWTMPA-XHPSBEMXSA-N 1 3 279.428 1.699 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001342017232 963611529 /nfs/dbraw/zinc/61/15/29/963611529.db2.gz ZANOEXHPBYCGCH-STQMWFEESA-N 1 3 265.401 1.461 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001467728547 970097246 /nfs/dbraw/zinc/09/72/46/970097246.db2.gz KVKAGJYJDPBVFP-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001467728547 970097259 /nfs/dbraw/zinc/09/72/59/970097259.db2.gz KVKAGJYJDPBVFP-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001496603482 972985939 /nfs/dbraw/zinc/98/59/39/972985939.db2.gz SGORHQJWTSABSQ-KGLIPLIRSA-N 1 3 267.417 1.245 10 30 CDEEHO CC#CCNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001570108260 1170081760 /nfs/dbraw/zinc/08/17/60/1170081760.db2.gz PPDIHVZKEJGTRD-HNNXBMFYSA-N 1 3 291.439 1.513 10 30 CDEEHO CC#CCNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001570108260 1170081766 /nfs/dbraw/zinc/08/17/66/1170081766.db2.gz PPDIHVZKEJGTRD-HNNXBMFYSA-N 1 3 291.439 1.513 10 30 CDEEHO CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001571157409 1170342281 /nfs/dbraw/zinc/34/22/81/1170342281.db2.gz OYZFCMZKCDPBNB-SHTZXODSSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001571370895 1170388894 /nfs/dbraw/zinc/38/88/94/1170388894.db2.gz FOVPELJZAKROCJ-CABCVRRESA-N 1 3 279.428 1.032 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001571386475 1170403009 /nfs/dbraw/zinc/40/30/09/1170403009.db2.gz BJJYGOYWIAGUKF-HNNXBMFYSA-N 1 3 293.455 1.711 10 30 CDEEHO C[NH2+]CCC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594439114 342906629 /nfs/dbraw/zinc/90/66/29/342906629.db2.gz OIVDKFRCSJYCEP-AWEZNQCLSA-N 1 3 280.416 1.246 10 30 CDEEHO C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C[NH+]1CCCC1 ZINC000594441679 342907366 /nfs/dbraw/zinc/90/73/66/342907366.db2.gz URVRITFLLVAQAK-KBPBESRZSA-N 1 3 280.416 1.246 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000600714572 342242281 /nfs/dbraw/zinc/24/22/81/342242281.db2.gz AIRDQVFQNQHUCJ-BFHYXJOUSA-N 1 3 263.385 1.258 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000600714572 342242282 /nfs/dbraw/zinc/24/22/82/342242282.db2.gz AIRDQVFQNQHUCJ-BFHYXJOUSA-N 1 3 263.385 1.258 10 30 CDEEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc(C#N)cs1 ZINC000594966476 342990751 /nfs/dbraw/zinc/99/07/51/342990751.db2.gz SFJROHNWYFMDEI-ZDUSSCGKSA-N 1 3 294.468 1.981 10 30 CDEEHO C#CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCCCN1CC ZINC001660632938 1172246218 /nfs/dbraw/zinc/24/62/18/1172246218.db2.gz XMXCRSFJPXZWJE-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CCC[N@H+](CC)CCCNC(=O)[C@H]1CCCCN1CC ZINC001660632938 1172246224 /nfs/dbraw/zinc/24/62/24/1172246224.db2.gz XMXCRSFJPXZWJE-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CC3(C#N)CC3)CC[C@@H]21 ZINC000528408259 367830674 /nfs/dbraw/zinc/83/06/74/367830674.db2.gz SSIBXYVREXJESR-KFWWJZLASA-N 1 3 277.412 1.457 10 30 CDEEHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CC3(C#N)CC3)CC[C@@H]21 ZINC000528408259 367830681 /nfs/dbraw/zinc/83/06/81/367830681.db2.gz SSIBXYVREXJESR-KFWWJZLASA-N 1 3 277.412 1.457 10 30 CDEEHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CC3)CC[C@@H]21 ZINC000528408259 367830686 /nfs/dbraw/zinc/83/06/86/367830686.db2.gz SSIBXYVREXJESR-KFWWJZLASA-N 1 3 277.412 1.457 10 30 CDEEHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CC3)CC[C@@H]21 ZINC000528408259 367830690 /nfs/dbraw/zinc/83/06/90/367830690.db2.gz SSIBXYVREXJESR-KFWWJZLASA-N 1 3 277.412 1.457 10 30 CDEEHO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCN(C4CC4)C3)n2c1 ZINC000123276955 374094098 /nfs/dbraw/zinc/09/40/98/374094098.db2.gz JNTBRMRFNNYCGY-CQSZACIVSA-N 1 3 295.390 1.780 10 30 CDEEHO CC(C)N(CC#CC[N@H+](C[C@H](C)O)C(C)C)C[C@@H](C)O ZINC000341879202 263362067 /nfs/dbraw/zinc/36/20/67/263362067.db2.gz AYJBABXMEFLPLF-IYBDPMFKSA-N 1 3 284.444 1.172 10 30 CDEEHO CC(C)N(CC#CC[N@@H+](C[C@H](C)O)C(C)C)C[C@@H](C)O ZINC000341879202 263362069 /nfs/dbraw/zinc/36/20/69/263362069.db2.gz AYJBABXMEFLPLF-IYBDPMFKSA-N 1 3 284.444 1.172 10 30 CDEEHO CC(C)N(CC#CC[N@H+](C[C@@H](C)O)C(C)C)C[C@H](C)O ZINC000341879202 263362071 /nfs/dbraw/zinc/36/20/71/263362071.db2.gz AYJBABXMEFLPLF-IYBDPMFKSA-N 1 3 284.444 1.172 10 30 CDEEHO CC(C)N(CC#CC[N@@H+](C[C@@H](C)O)C(C)C)C[C@H](C)O ZINC000341879202 263362073 /nfs/dbraw/zinc/36/20/73/263362073.db2.gz AYJBABXMEFLPLF-IYBDPMFKSA-N 1 3 284.444 1.172 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001666920831 1173207793 /nfs/dbraw/zinc/20/77/93/1173207793.db2.gz KSBQQSDVUUNFNY-GFCCVEGCSA-N 1 3 253.390 1.093 10 30 CDEEHO N#Cc1ccc(OCCN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566482065 316611826 /nfs/dbraw/zinc/61/18/26/316611826.db2.gz MGAFBPAWRLKLRQ-KGLIPLIRSA-N 1 3 259.353 1.797 10 30 CDEEHO C=CCN1CCC(NC(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000171711285 329078979 /nfs/dbraw/zinc/07/89/79/329078979.db2.gz OSMSLGLNZGVIJR-CQSZACIVSA-N 1 3 296.459 1.666 10 30 CDEEHO CC1(C)OCC[C@@H]1NCC#CC[NH2+][C@H]1CCOC1(C)C ZINC000451241007 331021509 /nfs/dbraw/zinc/02/15/09/331021509.db2.gz JJZQBKNZIPFAKX-KBPBESRZSA-N 1 3 280.412 1.304 10 30 CDEEHO C#CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732210384 1159751432 /nfs/dbraw/zinc/75/14/32/1159751432.db2.gz GLRGBEHCPGOOAH-CJNGLKHVSA-N 1 3 297.418 1.317 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001691533798 1160584283 /nfs/dbraw/zinc/58/42/83/1160584283.db2.gz HAIZEXZISGNWSM-MGPQQGTHSA-N 1 3 267.417 1.243 10 30 CDEEHO C=C(C)[C@H](CO)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000678049601 482910417 /nfs/dbraw/zinc/91/04/17/482910417.db2.gz 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C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001699970008 1176702074 /nfs/dbraw/zinc/70/20/74/1176702074.db2.gz NTLFAOSHANUZRN-CABCVRRESA-N 1 3 281.444 1.587 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2CC2)CC1 ZINC001700430085 1176926907 /nfs/dbraw/zinc/92/69/07/1176926907.db2.gz KHQAFOWUNJVQCH-ZIAGYGMSSA-N 1 3 291.439 1.224 10 30 CDEEHO C#CC[NH2+]C[C@]1(NC(=O)CN(C)CCC)CCCC[C@@H]1C ZINC001714189012 1179008410 /nfs/dbraw/zinc/00/84/10/1179008410.db2.gz ZOXOYMXMLZNHDT-DOTOQJQBSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CCCN1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001714623146 1179274358 /nfs/dbraw/zinc/27/43/58/1179274358.db2.gz VXOAIHDGIYPJSD-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001716497611 1180254490 /nfs/dbraw/zinc/25/44/90/1180254490.db2.gz MQZHAZHMCQRIQI-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001716497611 1180254495 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FLSOZGICYQVXEX-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001491053116 936846787 /nfs/dbraw/zinc/84/67/87/936846787.db2.gz RIRAETHUHJYQMG-QLFBSQMISA-N 1 3 281.444 1.776 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001273200850 924501515 /nfs/dbraw/zinc/50/15/15/924501515.db2.gz HGAZLPOLIYAKSX-UHFFFAOYSA-N 1 3 267.417 1.531 10 30 CDEEHO CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001568433590 1169284677 /nfs/dbraw/zinc/28/46/77/1169284677.db2.gz DFSRAUHHNFWTDA-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)N(C)C ZINC001494999574 926615270 /nfs/dbraw/zinc/61/52/70/926615270.db2.gz JSJPDSZQARDDKN-KBPBESRZSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001280207362 942423550 /nfs/dbraw/zinc/42/35/50/942423550.db2.gz JVOKXPDDROKBPC-CYBMUJFWSA-N 1 3 276.384 1.357 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001283617577 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C#CCCN1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001330031264 956241874 /nfs/dbraw/zinc/24/18/74/956241874.db2.gz KGXAMQQQXCQSGY-CQSZACIVSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001330336814 956384296 /nfs/dbraw/zinc/38/42/96/956384296.db2.gz ALJIRYYUMDZHBF-JONQDZQNSA-N 1 3 291.439 1.034 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316859332 956646234 /nfs/dbraw/zinc/64/62/34/956646234.db2.gz NVEQZAHDRPOYKX-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001340918445 956761860 /nfs/dbraw/zinc/76/18/60/956761860.db2.gz WDDWDSMAOVLPEU-HZSPNIEDSA-N 1 3 265.401 1.271 10 30 CDEEHO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)CCC)CC1 ZINC001317007741 957198476 /nfs/dbraw/zinc/19/84/76/957198476.db2.gz QFSJGTUJHHKNCD-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001317810866 957673834 /nfs/dbraw/zinc/67/38/34/957673834.db2.gz GRDWQTCAMVWOSW-CVEARBPZSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001317810866 957673844 /nfs/dbraw/zinc/67/38/44/957673844.db2.gz GRDWQTCAMVWOSW-CVEARBPZSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CC(C)C)CC1 ZINC001318608898 958197619 /nfs/dbraw/zinc/19/76/19/958197619.db2.gz ZLHXCFXQUQUVCB-MRXNPFEDSA-N 1 3 293.455 1.472 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001321552172 959848832 /nfs/dbraw/zinc/84/88/32/959848832.db2.gz TXNSHJGYXUOQRH-OLZOCXBDSA-N 1 3 255.406 1.243 10 30 CDEEHO C=CC[C@]1(C(=O)Nc2cccc3c2CNC3)CCC[NH2+]1 ZINC001342397724 963731528 /nfs/dbraw/zinc/73/15/28/963731528.db2.gz KWYJUTXUSGQNBR-MRXNPFEDSA-N 1 3 271.364 1.927 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001496734240 973075669 /nfs/dbraw/zinc/07/56/69/973075669.db2.gz CTESLBHDHZTUPD-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001496734240 973075674 /nfs/dbraw/zinc/07/56/74/973075674.db2.gz CTESLBHDHZTUPD-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001496806483 973106599 /nfs/dbraw/zinc/10/65/99/973106599.db2.gz FOGWDOJORZUCSJ-UHFFFAOYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001496806483 973106605 /nfs/dbraw/zinc/10/66/05/973106605.db2.gz FOGWDOJORZUCSJ-UHFFFAOYSA-N 1 3 281.444 1.685 10 30 CDEEHO CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001569683987 1169964900 /nfs/dbraw/zinc/96/49/00/1169964900.db2.gz VQACYJQXZDBDRG-DOTOQJQBSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001499497487 974261665 /nfs/dbraw/zinc/26/16/65/974261665.db2.gz UDPRVACDLMWMRY-MQVJKMGUSA-N 1 3 291.439 1.462 10 30 CDEEHO C=CCN1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500520116 974447269 /nfs/dbraw/zinc/44/72/69/974447269.db2.gz YYBYPYSSXABKHS-MRXNPFEDSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501395315 974578352 /nfs/dbraw/zinc/57/83/52/974578352.db2.gz LYUXWUYRAHAEJB-CABCVRRESA-N 1 3 277.412 1.027 10 30 CDEEHO C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001502772800 974781241 /nfs/dbraw/zinc/78/12/41/974781241.db2.gz WOZYTRJCZZFEEU-AWEZNQCLSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCN1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001506578415 975181312 /nfs/dbraw/zinc/18/13/12/975181312.db2.gz GSNFCPSUWQVPIM-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CCN1CCCCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001506578415 975181314 /nfs/dbraw/zinc/18/13/14/975181314.db2.gz GSNFCPSUWQVPIM-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)N(C)C)C1 ZINC001506652629 975198170 /nfs/dbraw/zinc/19/81/70/975198170.db2.gz GIJFHHHKFMQLSJ-ZFWWWQNUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001507129931 975347384 /nfs/dbraw/zinc/34/73/84/975347384.db2.gz ZCLRLXBPHVNYMD-CYBMUJFWSA-N 1 3 269.433 1.587 10 30 CDEEHO C=CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001507129932 975347615 /nfs/dbraw/zinc/34/76/15/975347615.db2.gz ZCLRLXBPHVNYMD-ZDUSSCGKSA-N 1 3 269.433 1.587 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507326723 975417124 /nfs/dbraw/zinc/41/71/24/975417124.db2.gz WAFDTSOCWFEZCA-HOTGVXAUSA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001674140666 1173917643 /nfs/dbraw/zinc/91/76/43/1173917643.db2.gz HWBLMUIJBPXJQN-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001676854442 1174279872 /nfs/dbraw/zinc/27/98/72/1174279872.db2.gz UBQZOVNTANJVLK-BZUAXINKSA-N 1 3 291.439 1.177 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001570653244 1170223978 /nfs/dbraw/zinc/22/39/78/1170223978.db2.gz OSZQCALZRWXDIV-OLZOCXBDSA-N 1 3 255.406 1.386 10 30 CDEEHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594438762 342906356 /nfs/dbraw/zinc/90/63/56/342906356.db2.gz WWJPEXCPXPSLGY-KBPBESRZSA-N 1 3 280.416 1.340 10 30 CDEEHO C[NH+](C)CC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594441175 342907442 /nfs/dbraw/zinc/90/74/42/342907442.db2.gz OHAUZFHXXJXUTL-CQSZACIVSA-N 1 3 280.416 1.198 10 30 CDEEHO C[NH+](C)C1(CNC(=O)[C@H](N)CCCCC#N)CCCC1 ZINC000594445468 342908814 /nfs/dbraw/zinc/90/88/14/342908814.db2.gz GHWKHEJVCPUHOZ-CYBMUJFWSA-N 1 3 280.416 1.388 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000594425035 342903950 /nfs/dbraw/zinc/90/39/50/342903950.db2.gz JHDYOBYMRXXNDG-KGLIPLIRSA-N 1 3 280.416 1.421 10 30 CDEEHO N#CC1(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCCCC1 ZINC000594740562 342951612 /nfs/dbraw/zinc/95/16/12/342951612.db2.gz YZGURMDHDUEPKU-AWEZNQCLSA-N 1 3 292.427 1.247 10 30 CDEEHO N#CCCOCC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000339139110 391257445 /nfs/dbraw/zinc/25/74/45/391257445.db2.gz AOKLCWNQDXPNJB-ROUUACIJSA-N 1 3 299.418 1.980 10 30 CDEEHO C=CCC[C@@H](O)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104682 392012227 /nfs/dbraw/zinc/01/22/27/392012227.db2.gz LVLYZIUAVOISQD-CQSZACIVSA-N 1 3 268.401 1.110 10 30 CDEEHO C=CCOCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665263679 413990960 /nfs/dbraw/zinc/99/09/60/413990960.db2.gz RRGMTSMEXSYQPJ-RRFJBIMHSA-N 1 3 268.401 1.326 10 30 CDEEHO CN(Cc1ccc(C#CC[NH3+])s1)C[C@@H]1CCCO1 ZINC000043683884 175092338 /nfs/dbraw/zinc/09/23/38/175092338.db2.gz KZMXXHJKOHMZKU-LBPRGKRZSA-N 1 3 264.394 1.669 10 30 CDEEHO NC(=O)CC1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689081 175095199 /nfs/dbraw/zinc/09/51/99/175095199.db2.gz BZYORNUHJHUMSX-UHFFFAOYSA-N 1 3 291.420 1.146 10 30 CDEEHO CCCN[C@@](C)(C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000045182209 175325468 /nfs/dbraw/zinc/32/54/68/175325468.db2.gz GOZSLPMLCBPOLS-MRXNPFEDSA-N 1 3 280.460 1.932 10 30 CDEEHO CN[C@@](C)(C#N)CCC[NH+]1CCC(N(C)C)CC1 ZINC000045311096 175356704 /nfs/dbraw/zinc/35/67/04/175356704.db2.gz PMIKKBIBKMHUDU-CQSZACIVSA-N 1 3 252.406 1.294 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001667668630 1173310227 /nfs/dbraw/zinc/31/02/27/1173310227.db2.gz CTNAOYFPOGGGGC-UHFFFAOYSA-N 1 3 281.444 1.829 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001668652381 1173435838 /nfs/dbraw/zinc/43/58/38/1173435838.db2.gz NVYSEWXHYFDBTP-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672531407 1173782519 /nfs/dbraw/zinc/78/25/19/1173782519.db2.gz UQWSKVOLXQADNL-LSDHHAIUSA-N 1 3 277.412 1.027 10 30 CDEEHO CN(C)C1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCCCCC1 ZINC000261966244 329992047 /nfs/dbraw/zinc/99/20/47/329992047.db2.gz LNNLWSIWIMOMSS-AWEZNQCLSA-N 1 3 296.459 1.724 10 30 CDEEHO CNC(NC1CC(N2CCC(C(F)(F)F)CC2)C1)=[NH+]C ZINC000262422370 330009525 /nfs/dbraw/zinc/00/95/25/330009525.db2.gz VDYXENFUYGBXFM-UHFFFAOYSA-N 1 3 292.349 1.587 10 30 CDEEHO CCN1CCC[C@@H]1CN(C)C(NCC1(C)CC1)=[NH+]C ZINC000262446314 330013578 /nfs/dbraw/zinc/01/35/78/330013578.db2.gz VJHKTNZFNYXDHQ-CYBMUJFWSA-N 1 3 266.433 1.778 10 30 CDEEHO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](CC)N(C)C ZINC001700731305 1177097748 /nfs/dbraw/zinc/09/77/48/1177097748.db2.gz GRJGMIMWXSYCTR-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001716497610 1180255442 /nfs/dbraw/zinc/25/54/42/1180255442.db2.gz MQZHAZHMCQRIQI-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc(C#CCN)c1 ZINC000049232194 519793464 /nfs/dbraw/zinc/79/34/64/519793464.db2.gz MPASPYKSYQPIQK-MRXNPFEDSA-N 1 3 287.407 1.313 10 30 CDEEHO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(C#CCN)cc1 ZINC000061655669 521834235 /nfs/dbraw/zinc/83/42/35/521834235.db2.gz ANHJRXGRVCFBRS-INIZCTEOSA-N 1 3 285.391 1.163 10 30 CDEEHO CN[C@@H](C#N)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062439513 522319100 /nfs/dbraw/zinc/31/91/00/522319100.db2.gz ANBJKIPVBFYCKJ-OAHLLOKOSA-N 1 3 264.417 1.296 10 30 CDEEHO C[N@H+](CCOc1ccc(C#CCN)cc1)[C@@H]1CCSC1 ZINC000049608993 522906156 /nfs/dbraw/zinc/90/61/56/522906156.db2.gz RODVNKNPDSWJFU-OAHLLOKOSA-N 1 3 290.432 1.813 10 30 CDEEHO C[N@@H+](CCOc1ccc(C#CCN)cc1)[C@@H]1CCSC1 ZINC000049608993 522906165 /nfs/dbraw/zinc/90/61/65/522906165.db2.gz RODVNKNPDSWJFU-OAHLLOKOSA-N 1 3 290.432 1.813 10 30 CDEEHO COc1ccc(CN2CCC(CO)CC2)cc1C#CC[NH3+] ZINC000049608312 524024517 /nfs/dbraw/zinc/02/45/17/524024517.db2.gz UWLZELJCULHZQS-UHFFFAOYSA-N 1 3 288.391 1.210 10 30 CDEEHO COc1ccc(CN2CCC(OC)CC2)cc1C#CC[NH3+] ZINC000049609083 524024618 /nfs/dbraw/zinc/02/46/18/524024618.db2.gz DCSRATNBOYWWOQ-UHFFFAOYSA-N 1 3 288.391 1.616 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333417917 526436414 /nfs/dbraw/zinc/43/64/14/526436414.db2.gz SDHVZQIJRSJLGT-CQSZACIVSA-N 1 3 280.416 1.078 10 30 CDEEHO N#CC1CCC(CN2CCC([NH2+]CCO)CC2)CC1 ZINC000903476929 626005295 /nfs/dbraw/zinc/00/52/95/626005295.db2.gz OGROCQNCMPEFIF-UHFFFAOYSA-N 1 3 265.401 1.363 10 30 CDEEHO C=CCN(C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001690987772 1158514281 /nfs/dbraw/zinc/51/42/81/1158514281.db2.gz QFZBBXXASFSVKB-UHFFFAOYSA-N 1 3 279.428 1.342 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001275593080 1166692010 /nfs/dbraw/zinc/69/20/10/1166692010.db2.gz XTRQUQIKPPPPCX-QWHCGFSZSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001275593080 1166692012 /nfs/dbraw/zinc/69/20/12/1166692012.db2.gz XTRQUQIKPPPPCX-QWHCGFSZSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001567151314 1168599306 /nfs/dbraw/zinc/59/93/06/1168599306.db2.gz OQISWPNSYWWADJ-HUUCEWRRSA-N 1 3 281.444 1.587 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001569302738 1169755651 /nfs/dbraw/zinc/75/56/51/1169755651.db2.gz BBLIXBBYPGZIRO-JKSUJKDBSA-N 1 3 293.455 1.920 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001569308261 1169757767 /nfs/dbraw/zinc/75/77/67/1169757767.db2.gz YAMFUAGWDSRBJL-CABCVRRESA-N 1 3 279.428 1.080 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001664849630 1172920618 /nfs/dbraw/zinc/92/06/18/1172920618.db2.gz SRXAGPLVLRYCRO-HUUCEWRRSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001664849630 1172920621 /nfs/dbraw/zinc/92/06/21/1172920621.db2.gz SRXAGPLVLRYCRO-HUUCEWRRSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690814819 1175579080 /nfs/dbraw/zinc/57/90/80/1175579080.db2.gz LTPXETFNJVVLDP-OAHLLOKOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690814819 1175579087 /nfs/dbraw/zinc/57/90/87/1175579087.db2.gz LTPXETFNJVVLDP-OAHLLOKOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001691979695 1175661815 /nfs/dbraw/zinc/66/18/15/1175661815.db2.gz RBMHKBRORHNMPD-KGLIPLIRSA-N 1 3 267.417 1.293 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001691979695 1175661820 /nfs/dbraw/zinc/66/18/20/1175661820.db2.gz RBMHKBRORHNMPD-KGLIPLIRSA-N 1 3 267.417 1.293 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001699024067 1176047682 /nfs/dbraw/zinc/04/76/82/1176047682.db2.gz QERBMUQSMDGMDT-HOCLYGCPSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001700184670 1176788355 /nfs/dbraw/zinc/78/83/55/1176788355.db2.gz NJGHJSFRVOQLQJ-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001700184670 1176788360 /nfs/dbraw/zinc/78/83/60/1176788360.db2.gz NJGHJSFRVOQLQJ-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001713055012 1178334541 /nfs/dbraw/zinc/33/45/41/1178334541.db2.gz CELKEWREAMBTAM-UHFFFAOYSA-N 1 3 253.390 1.047 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713518013 1178619999 /nfs/dbraw/zinc/61/99/99/1178619999.db2.gz TYPMSFSEJWIEKP-UONOGXRCSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001713518013 1178619995 /nfs/dbraw/zinc/61/99/95/1178619995.db2.gz TYPMSFSEJWIEKP-UONOGXRCSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C1CCCCC1 ZINC001715404387 1179658585 /nfs/dbraw/zinc/65/85/85/1179658585.db2.gz KDMXQAIMOPXDJP-INIZCTEOSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001715572855 1179721647 /nfs/dbraw/zinc/72/16/47/1179721647.db2.gz VCLOXSXRPRQTLD-CABCVRRESA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001715655148 1179754705 /nfs/dbraw/zinc/75/47/05/1179754705.db2.gz KSXJRPYGFKGSGG-LBPRGKRZSA-N 1 3 287.835 1.708 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CC(=C)C)CC1 ZINC001715710735 1179771228 /nfs/dbraw/zinc/77/12/28/1179771228.db2.gz XQZWDVHOWXBHQT-OAHLLOKOSA-N 1 3 291.439 1.392 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001715878572 1179892598 /nfs/dbraw/zinc/89/25/98/1179892598.db2.gz PRVKUNCNKFKVLY-IDTUSYRASA-N 1 3 277.412 1.145 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715878572 1179892615 /nfs/dbraw/zinc/89/26/15/1179892615.db2.gz PRVKUNCNKFKVLY-IDTUSYRASA-N 1 3 277.412 1.145 10 30 CDEEHO C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001716497610 1180255440 /nfs/dbraw/zinc/25/54/40/1180255440.db2.gz MQZHAZHMCQRIQI-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717210269 1180575059 /nfs/dbraw/zinc/57/50/59/1180575059.db2.gz DIHDGEKKUCCHLG-GJZGRUSLSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001717210269 1180575062 /nfs/dbraw/zinc/57/50/62/1180575062.db2.gz DIHDGEKKUCCHLG-GJZGRUSLSA-N 1 3 279.428 1.130 10 30 CDEEHO C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001717472730 1180692922 /nfs/dbraw/zinc/69/29/22/1180692922.db2.gz QNHLLPMUQLAWJK-KGLIPLIRSA-N 1 3 267.417 1.482 10 30 CDEEHO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001717472730 1180692925 /nfs/dbraw/zinc/69/29/25/1180692925.db2.gz QNHLLPMUQLAWJK-KGLIPLIRSA-N 1 3 267.417 1.482 10 30 CDEEHO C#CCC[N@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001718022104 1180972681 /nfs/dbraw/zinc/97/26/81/1180972681.db2.gz JHCFTCVOUGLZIM-UHFFFAOYSA-N 1 3 289.423 1.242 10 30 CDEEHO C#CCC[N@@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001718022104 1180972685 /nfs/dbraw/zinc/97/26/85/1180972685.db2.gz JHCFTCVOUGLZIM-UHFFFAOYSA-N 1 3 289.423 1.242 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001723939163 1181625220 /nfs/dbraw/zinc/62/52/20/1181625220.db2.gz CMFJPDLIGGSTTJ-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+]CCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001725385091 1181983543 /nfs/dbraw/zinc/98/35/43/1181983543.db2.gz AHGCGFZLIGFZBF-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)C[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001731338203 1182326776 /nfs/dbraw/zinc/32/67/76/1182326776.db2.gz UPPXSVQJDXJYSF-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001731338203 1182326785 /nfs/dbraw/zinc/32/67/85/1182326785.db2.gz UPPXSVQJDXJYSF-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001731710260 1182526862 /nfs/dbraw/zinc/52/68/62/1182526862.db2.gz DZHKHPYEVOELDS-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001731960500 1182700425 /nfs/dbraw/zinc/70/04/25/1182700425.db2.gz BHYFDDHXJBMNRX-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001731960500 1182700429 /nfs/dbraw/zinc/70/04/29/1182700429.db2.gz BHYFDDHXJBMNRX-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[NH2+]C[C@@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001732253338 1182885951 /nfs/dbraw/zinc/88/59/51/1182885951.db2.gz JNKSQHSENXJGMF-MRXNPFEDSA-N 1 3 288.395 1.158 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001733182854 1183321442 /nfs/dbraw/zinc/32/14/42/1183321442.db2.gz AWGKDVCOUFMXHR-HOCLYGCPSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CCNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733251137 1183370292 /nfs/dbraw/zinc/37/02/92/1183370292.db2.gz UQTMSTIHHWDNSH-AWEZNQCLSA-N 1 3 277.412 1.123 10 30 CDEEHO CC#CCNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001733251137 1183370296 /nfs/dbraw/zinc/37/02/96/1183370296.db2.gz UQTMSTIHHWDNSH-AWEZNQCLSA-N 1 3 277.412 1.123 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001733296753 1183381637 /nfs/dbraw/zinc/38/16/37/1183381637.db2.gz JGYYZGUMUNQGPX-QGZVFWFLSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001733296753 1183381639 /nfs/dbraw/zinc/38/16/39/1183381639.db2.gz JGYYZGUMUNQGPX-QGZVFWFLSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001733901205 1183563140 /nfs/dbraw/zinc/56/31/40/1183563140.db2.gz NGKCJBZNSFVSEI-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001733901205 1183563144 /nfs/dbraw/zinc/56/31/44/1183563144.db2.gz NGKCJBZNSFVSEI-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CC[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001734579657 1183833145 /nfs/dbraw/zinc/83/31/45/1183833145.db2.gz HCEUQAQRPTYYCC-LSDHHAIUSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]([NH3+])CC(=C)Cl)CC1 ZINC000876754082 1165909058 /nfs/dbraw/zinc/90/90/58/1165909058.db2.gz BIJDIKTYZOPIEF-LBPRGKRZSA-N 1 3 271.792 1.223 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000876775104 1165912550 /nfs/dbraw/zinc/91/25/50/1165912550.db2.gz OIBSKEMTDZDXAV-VXGBXAGGSA-N 1 3 273.808 1.257 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000876775104 1165912557 /nfs/dbraw/zinc/91/25/57/1165912557.db2.gz OIBSKEMTDZDXAV-VXGBXAGGSA-N 1 3 273.808 1.257 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000876833005 1165924056 /nfs/dbraw/zinc/92/40/56/1165924056.db2.gz KKZLEIIBKIRIMZ-DCAQKATOSA-N 1 3 259.781 1.042 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000876939565 1165943998 /nfs/dbraw/zinc/94/39/98/1165943998.db2.gz HVRCDARDLPIZBR-GFCCVEGCSA-N 1 3 273.808 1.257 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000876979555 1165953179 /nfs/dbraw/zinc/95/31/79/1165953179.db2.gz JYDZVTFDEZHTSR-KGLIPLIRSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876979555 1165953183 /nfs/dbraw/zinc/95/31/83/1165953183.db2.gz JYDZVTFDEZHTSR-KGLIPLIRSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000876774601 797849517 /nfs/dbraw/zinc/84/95/17/797849517.db2.gz AWZZBSPAOFLNGD-KGLIPLIRSA-N 1 3 299.846 1.647 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000876774601 797849516 /nfs/dbraw/zinc/84/95/16/797849516.db2.gz AWZZBSPAOFLNGD-KGLIPLIRSA-N 1 3 299.846 1.647 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001566122098 1168239964 /nfs/dbraw/zinc/23/99/64/1168239964.db2.gz JUXTWRJSIASLNU-OWCLPIDISA-N 1 3 293.455 1.826 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001566122098 1168239974 /nfs/dbraw/zinc/23/99/74/1168239974.db2.gz JUXTWRJSIASLNU-OWCLPIDISA-N 1 3 293.455 1.826 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CCCC)CC1 ZINC001567240198 1168635483 /nfs/dbraw/zinc/63/54/83/1168635483.db2.gz GFBSISDPWZOQCW-OAHLLOKOSA-N 1 3 293.455 1.616 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480898324 896296283 /nfs/dbraw/zinc/29/62/83/896296283.db2.gz LDJNCTRXABIJIC-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCC(=C)C)CC1 ZINC001266993777 896513966 /nfs/dbraw/zinc/51/39/66/896513966.db2.gz FQEMKIJJEWOPIX-HNNXBMFYSA-N 1 3 291.439 1.392 10 30 CDEEHO C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001267493223 898148876 /nfs/dbraw/zinc/14/88/76/898148876.db2.gz DPBZNHIPRBYRIW-HOCLYGCPSA-N 1 3 293.455 1.423 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267580411 898515714 /nfs/dbraw/zinc/51/57/14/898515714.db2.gz WMORZCVUJWAMFP-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267580411 898515720 /nfs/dbraw/zinc/51/57/20/898515720.db2.gz WMORZCVUJWAMFP-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001268229719 901614739 /nfs/dbraw/zinc/61/47/39/901614739.db2.gz XMAFFGLTQCRXHG-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001268229719 901614742 /nfs/dbraw/zinc/61/47/42/901614742.db2.gz XMAFFGLTQCRXHG-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[NH2+]CCC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001482010972 902464700 /nfs/dbraw/zinc/46/47/00/902464700.db2.gz YQAXYXQSSGFGAA-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001269331442 903701593 /nfs/dbraw/zinc/70/15/93/903701593.db2.gz KHHYUCHXENCRFT-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCCN1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001567944370 1169086242 /nfs/dbraw/zinc/08/62/42/1169086242.db2.gz SDZXFVJCMFVUFY-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO C#CCCN1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001567944370 1169086247 /nfs/dbraw/zinc/08/62/47/1169086247.db2.gz SDZXFVJCMFVUFY-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO C=CCCC[N@@H+](C)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001485351582 916870547 /nfs/dbraw/zinc/87/05/47/916870547.db2.gz VGZCHOGLVGOWAL-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[N@H+](C)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001485351582 916870556 /nfs/dbraw/zinc/87/05/56/916870556.db2.gz VGZCHOGLVGOWAL-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO CN1CCN(CCCC[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921526933 918976236 /nfs/dbraw/zinc/97/62/36/918976236.db2.gz KDBRJKPHEKCYMP-UHFFFAOYSA-N 1 3 292.452 1.737 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001491478788 936922806 /nfs/dbraw/zinc/92/28/06/936922806.db2.gz SQIHABKQLFRUDJ-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C ZINC001273298652 925761779 /nfs/dbraw/zinc/76/17/79/925761779.db2.gz UKBNOYSAGADTKW-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001275659546 931938616 /nfs/dbraw/zinc/93/86/16/931938616.db2.gz XTRQUQIKPPPPCX-STQMWFEESA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001275659546 931938620 /nfs/dbraw/zinc/93/86/20/931938620.db2.gz XTRQUQIKPPPPCX-STQMWFEESA-N 1 3 255.406 1.339 10 30 CDEEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925607500 932913005 /nfs/dbraw/zinc/91/30/05/932913005.db2.gz BZLWSFXLOSNYSE-ILXRZTDVSA-N 1 3 276.428 1.341 10 30 CDEEHO C=CCOCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925633434 932919109 /nfs/dbraw/zinc/91/91/09/932919109.db2.gz WJCMGCOCVXLJFD-GJZGRUSLSA-N 1 3 252.402 1.947 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001122509396 937938191 /nfs/dbraw/zinc/93/81/91/937938191.db2.gz WKUMMRFHAQWDGO-GDBMZVCRSA-N 1 3 279.428 1.805 10 30 CDEEHO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001282399495 942706760 /nfs/dbraw/zinc/70/67/60/942706760.db2.gz SPHBXOAYYQESPB-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001282399495 942706764 /nfs/dbraw/zinc/70/67/64/942706764.db2.gz SPHBXOAYYQESPB-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001263864003 944012529 /nfs/dbraw/zinc/01/25/29/944012529.db2.gz LDFTVPRJSXLAAT-JOCQHMNTSA-N 1 3 265.401 1.141 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001265572249 944432577 /nfs/dbraw/zinc/43/25/77/944432577.db2.gz BWPXJNARQYVROJ-ZNMIVQPWSA-N 1 3 277.412 1.121 10 30 CDEEHO C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265655967 944459078 /nfs/dbraw/zinc/45/90/78/944459078.db2.gz SUDGAQYZWWPKCE-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001265655967 944459080 /nfs/dbraw/zinc/45/90/80/944459080.db2.gz SUDGAQYZWWPKCE-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001265682773 944467937 /nfs/dbraw/zinc/46/79/37/944467937.db2.gz YESYHEXTCALKGP-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001266195647 944745442 /nfs/dbraw/zinc/74/54/42/944745442.db2.gz XREPJKQKEFAVGO-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001479894904 971471118 /nfs/dbraw/zinc/47/11/18/971471118.db2.gz IZOFUKITSUUEKW-UHFFFAOYSA-N 1 3 293.455 1.971 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001279039694 948633140 /nfs/dbraw/zinc/63/31/40/948633140.db2.gz YCFZHTOEKGZCAG-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001278556869 950034831 /nfs/dbraw/zinc/03/48/31/950034831.db2.gz YIOKFHRGSVQABF-MRXNPFEDSA-N 1 3 290.411 1.747 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001493869783 972129917 /nfs/dbraw/zinc/12/99/17/972129917.db2.gz MSQVWYCABXUGKR-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001493869783 972129922 /nfs/dbraw/zinc/12/99/22/972129922.db2.gz MSQVWYCABXUGKR-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001493869782 972130052 /nfs/dbraw/zinc/13/00/52/972130052.db2.gz MSQVWYCABXUGKR-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001493869782 972130055 /nfs/dbraw/zinc/13/00/55/972130055.db2.gz MSQVWYCABXUGKR-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001340918446 956760821 /nfs/dbraw/zinc/76/08/21/956760821.db2.gz WDDWDSMAOVLPEU-IHRRRGAJSA-N 1 3 265.401 1.271 10 30 CDEEHO C#CC[N@@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001317884540 957810403 /nfs/dbraw/zinc/81/04/03/957810403.db2.gz SVVUBCRJYBQLEJ-UHFFFAOYSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CC[N@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001317884540 957810414 /nfs/dbraw/zinc/81/04/14/957810414.db2.gz SVVUBCRJYBQLEJ-UHFFFAOYSA-N 1 3 279.428 1.130 10 30 CDEEHO C=CC[NH2+]CCC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001495437152 972499393 /nfs/dbraw/zinc/49/93/93/972499393.db2.gz GQDBEZNULQQVSK-UHFFFAOYSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001324225198 961247522 /nfs/dbraw/zinc/24/75/22/961247522.db2.gz IZMBZGCSLXLFKG-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001496357636 972899061 /nfs/dbraw/zinc/89/90/61/972899061.db2.gz MDFIQJRUHLKUIF-OCCSQVGLSA-N 1 3 276.384 1.355 10 30 CDEEHO C#CCNC1(CNC(=O)CCC[NH+]2CCCC2)CCC1 ZINC001502028835 974677221 /nfs/dbraw/zinc/67/72/21/974677221.db2.gz BQSLAOASTOVXKM-UHFFFAOYSA-N 1 3 277.412 1.124 10 30 CDEEHO C=CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCN1C)C(C)C ZINC001506158224 975117864 /nfs/dbraw/zinc/11/78/64/975117864.db2.gz FXVLCHNNKKMFCT-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001569810047 1170001996 /nfs/dbraw/zinc/00/19/96/1170001996.db2.gz FJMAKOLTILKVQL-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001570634650 1170218016 /nfs/dbraw/zinc/21/80/16/1170218016.db2.gz XGJSCBLQMJTVAQ-QWHCGFSZSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001571493993 1170453380 /nfs/dbraw/zinc/45/33/80/1170453380.db2.gz YDBQHEPCGTWFLD-ZIAGYGMSSA-N 1 3 267.417 1.482 10 30 CDEEHO C#CCN1CCC(C(=O)N(CC[N@@H+](C)CC)C(C)C)CC1 ZINC001571616362 1170497190 /nfs/dbraw/zinc/49/71/90/1170497190.db2.gz AUQHFFFRKPNTGC-UHFFFAOYSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCN1CCC(C(=O)N(CC[N@H+](C)CC)C(C)C)CC1 ZINC001571616362 1170497193 /nfs/dbraw/zinc/49/71/93/1170497193.db2.gz AUQHFFFRKPNTGC-UHFFFAOYSA-N 1 3 293.455 1.520 10 30 CDEEHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](N)CCCCC#N)CC[C@H]21 ZINC000594443125 342908090 /nfs/dbraw/zinc/90/80/90/342908090.db2.gz LNJVSNAHANEZBM-RBSFLKMASA-N 1 3 292.427 1.340 10 30 CDEEHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H](N)CCCCC#N)CC[C@H]21 ZINC000594443125 342908091 /nfs/dbraw/zinc/90/80/91/342908091.db2.gz LNJVSNAHANEZBM-RBSFLKMASA-N 1 3 292.427 1.340 10 30 CDEEHO CCCN(C(=O)[C@H](N)CCCCC#N)C1CC[NH2+]CC1 ZINC000594445923 342908660 /nfs/dbraw/zinc/90/86/60/342908660.db2.gz NQCIAOXCBHCYIV-CQSZACIVSA-N 1 3 280.416 1.388 10 30 CDEEHO C=CCN(CC=C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639760780 364852947 /nfs/dbraw/zinc/85/29/47/364852947.db2.gz ADQCXADSWAPERF-UHFFFAOYSA-N 1 3 291.439 1.605 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001664739764 1172902138 /nfs/dbraw/zinc/90/21/38/1172902138.db2.gz CECPJTQXEDELSY-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CC[C@]1(C(=O)N2CCCN(C(C)C)CC2)CCC[NH2+]1 ZINC000662822295 413551172 /nfs/dbraw/zinc/55/11/72/413551172.db2.gz MPBJHWURQYGRKZ-MRXNPFEDSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCC[NH2+]1 ZINC000662835634 413570167 /nfs/dbraw/zinc/57/01/67/413570167.db2.gz QPDQCJPXFXHTHP-HLLBOEOZSA-N 1 3 291.439 1.818 10 30 CDEEHO CCN(CCOC)Cc1ccc(C#CC[NH3+])s1 ZINC000043683916 175092354 /nfs/dbraw/zinc/09/23/54/175092354.db2.gz ZHIXZVFBEXDRHF-UHFFFAOYSA-N 1 3 252.383 1.527 10 30 CDEEHO C#CCC[NH2+]C[C@@](C)(NC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001666021447 1173101484 /nfs/dbraw/zinc/10/14/84/1173101484.db2.gz DYEOBTNJOWFPLY-GOEBONIOSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001666619533 1173162514 /nfs/dbraw/zinc/16/25/14/1173162514.db2.gz FEISMGQBHUJCSA-AWEZNQCLSA-N 1 3 281.444 1.330 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)CCC[NH+]1CCCCC1 ZINC001669195672 1173517411 /nfs/dbraw/zinc/51/74/11/1173517411.db2.gz SXXGIBQMOUIEBB-AATRIKPKSA-N 1 3 291.439 1.538 10 30 CDEEHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001671805560 1173713297 /nfs/dbraw/zinc/71/32/97/1173713297.db2.gz ULEVGLWJEAFCKL-INIZCTEOSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001672448170 1173774382 /nfs/dbraw/zinc/77/43/82/1173774382.db2.gz YFBCEXROQMOARQ-IYBDPMFKSA-N 1 3 293.455 1.683 10 30 CDEEHO C=CCCC[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001672448170 1173774389 /nfs/dbraw/zinc/77/43/89/1173774389.db2.gz YFBCEXROQMOARQ-IYBDPMFKSA-N 1 3 293.455 1.683 10 30 CDEEHO C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001672869415 1173805532 /nfs/dbraw/zinc/80/55/32/1173805532.db2.gz SMIDBVCBIGSYGN-CQSZACIVSA-N 1 3 290.411 1.747 10 30 CDEEHO C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000262491138 330017377 /nfs/dbraw/zinc/01/73/77/330017377.db2.gz VAJFBLLSFQVFGG-HZSPNIEDSA-N 1 3 282.432 1.142 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001270813915 1160155263 /nfs/dbraw/zinc/15/52/63/1160155263.db2.gz ZFPNYDNRAIUAFC-OAHLLOKOSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCN1CCC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001671044443 1161412435 /nfs/dbraw/zinc/41/24/35/1161412435.db2.gz HJRIBAKGLIEARN-KRWDZBQOSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001717745144 1180823288 /nfs/dbraw/zinc/82/32/88/1180823288.db2.gz PRRLZYFARLPECK-GJZGRUSLSA-N 1 3 279.428 1.319 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001731651604 1182502462 /nfs/dbraw/zinc/50/24/62/1182502462.db2.gz GCSNMDCRAJQNFP-KBPBESRZSA-N 1 3 265.401 1.095 10 30 CDEEHO CCN1CCC[C@H](NC(=O)c2ccccc2C#CC[NH3+])C1 ZINC000049232051 521648708 /nfs/dbraw/zinc/64/87/08/521648708.db2.gz AKUPBPYOBBHOIB-HNNXBMFYSA-N 1 3 285.391 1.211 10 30 CDEEHO NCC#Cc1cccc(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052763115 527151830 /nfs/dbraw/zinc/15/18/30/527151830.db2.gz OZABUSDTEAHSFW-QGZVFWFLSA-N 1 3 272.392 1.734 10 30 CDEEHO NCC#Cc1cccc(C[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052763115 527151835 /nfs/dbraw/zinc/15/18/35/527151835.db2.gz OZABUSDTEAHSFW-QGZVFWFLSA-N 1 3 272.392 1.734 10 30 CDEEHO NCC#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000049608682 527152099 /nfs/dbraw/zinc/15/20/99/527152099.db2.gz BRPQIPHOCSAIIS-QGZVFWFLSA-N 1 3 272.392 1.734 10 30 CDEEHO NCC#Cc1cccc(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000049608682 527152105 /nfs/dbraw/zinc/15/21/05/527152105.db2.gz BRPQIPHOCSAIIS-QGZVFWFLSA-N 1 3 272.392 1.734 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908575466 628281491 /nfs/dbraw/zinc/28/14/91/628281491.db2.gz OQRUIUUQRYGCNS-UHFFFAOYSA-N 1 3 293.455 1.971 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000912285305 629893634 /nfs/dbraw/zinc/89/36/34/629893634.db2.gz VSZXZNHRDVGYEL-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CC[C@H](C)F)CC1 ZINC001772517053 1158551192 /nfs/dbraw/zinc/55/11/92/1158551192.db2.gz OBSSDCFJWOYINK-UONOGXRCSA-N 1 3 297.418 1.174 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CC[C@@H](C)F)CC1 ZINC001772517054 1158551395 /nfs/dbraw/zinc/55/13/95/1158551395.db2.gz OBSSDCFJWOYINK-ZIAGYGMSSA-N 1 3 297.418 1.174 10 30 CDEEHO C#CCN1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001671044443 1161412431 /nfs/dbraw/zinc/41/24/31/1161412431.db2.gz HJRIBAKGLIEARN-KRWDZBQOSA-N 1 3 291.439 1.276 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000876884967 1165934347 /nfs/dbraw/zinc/93/43/47/1165934347.db2.gz IIFOCPKWGAMOIV-AGIUHOORSA-N 1 3 285.819 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000876884967 1165934344 /nfs/dbraw/zinc/93/43/44/1165934344.db2.gz IIFOCPKWGAMOIV-AGIUHOORSA-N 1 3 285.819 1.399 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001275593079 1166690282 /nfs/dbraw/zinc/69/02/82/1166690282.db2.gz XTRQUQIKPPPPCX-CHWSQXEVSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001275593079 1166690280 /nfs/dbraw/zinc/69/02/80/1166690280.db2.gz XTRQUQIKPPPPCX-CHWSQXEVSA-N 1 3 255.406 1.339 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001566723092 1168400817 /nfs/dbraw/zinc/40/08/17/1168400817.db2.gz VXNHJRDWFKBNSS-HZPDHXFCSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001570608078 1170209317 /nfs/dbraw/zinc/20/93/17/1170209317.db2.gz MVWBULZXSSYRDB-KBPBESRZSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001661678596 1172425977 /nfs/dbraw/zinc/42/59/77/1172425977.db2.gz OQOKKXJGBITJKH-BETUJISGSA-N 1 3 287.835 1.708 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001664739764 1172902134 /nfs/dbraw/zinc/90/21/34/1172902134.db2.gz CECPJTQXEDELSY-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001665828136 1173068095 /nfs/dbraw/zinc/06/80/95/1173068095.db2.gz JUGPXMSLBOLHBJ-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001690356574 1175447088 /nfs/dbraw/zinc/44/70/88/1175447088.db2.gz NOFZSFWZXZATFF-OKILXGFUSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCN1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001690453244 1175473336 /nfs/dbraw/zinc/47/33/36/1175473336.db2.gz UNTUCOCHXHUDQC-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001690757444 1175564922 /nfs/dbraw/zinc/56/49/22/1175564922.db2.gz JAGIVCRJKHBJHW-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001692380439 1175755841 /nfs/dbraw/zinc/75/58/41/1175755841.db2.gz TWEALNHJCHHMRJ-PMPSAXMXSA-N 1 3 291.439 1.580 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001692380439 1175755850 /nfs/dbraw/zinc/75/58/50/1175755850.db2.gz TWEALNHJCHHMRJ-PMPSAXMXSA-N 1 3 291.439 1.580 10 30 CDEEHO C#CCCN1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001692391084 1175758613 /nfs/dbraw/zinc/75/86/13/1175758613.db2.gz QJUWNHBGWAHMGY-OWCLPIDISA-N 1 3 293.455 1.709 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001698767369 1175924903 /nfs/dbraw/zinc/92/49/03/1175924903.db2.gz UNDZRJBFHLOEBZ-HOTGVXAUSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001698860758 1175967665 /nfs/dbraw/zinc/96/76/65/1175967665.db2.gz KSDMJUKIZVEAMM-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001698991727 1176022073 /nfs/dbraw/zinc/02/20/73/1176022073.db2.gz UANYCXUNXJHMCO-LSDHHAIUSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001698991727 1176022081 /nfs/dbraw/zinc/02/20/81/1176022081.db2.gz UANYCXUNXJHMCO-LSDHHAIUSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001699374683 1176332422 /nfs/dbraw/zinc/33/24/22/1176332422.db2.gz QGJPXNMGGUHZKP-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001699582189 1176483162 /nfs/dbraw/zinc/48/31/62/1176483162.db2.gz XUHAGIYPRMWYIB-ZIAGYGMSSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C2 ZINC001699977033 1176703443 /nfs/dbraw/zinc/70/34/43/1176703443.db2.gz CDKWCOLYXVUNJZ-MUJYYYPQSA-N 1 3 293.455 1.872 10 30 CDEEHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C2 ZINC001699977033 1176703447 /nfs/dbraw/zinc/70/34/47/1176703447.db2.gz CDKWCOLYXVUNJZ-MUJYYYPQSA-N 1 3 293.455 1.872 10 30 CDEEHO C=CCC[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001700544925 1177008564 /nfs/dbraw/zinc/00/85/64/1177008564.db2.gz DAJRQYQGUYBQOA-UONOGXRCSA-N 1 3 279.428 1.341 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C ZINC001700993379 1177229607 /nfs/dbraw/zinc/22/96/07/1177229607.db2.gz SGZYUIABPQPINY-STQMWFEESA-N 1 3 269.433 1.633 10 30 CDEEHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001713094096 1178365863 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C=CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001717301453 1180609789 /nfs/dbraw/zinc/60/97/89/1180609789.db2.gz QETYVBNZPJDYSE-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001717337804 1180622010 /nfs/dbraw/zinc/62/20/10/1180622010.db2.gz ZWLREJUFXARJKZ-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001717337804 1180622014 /nfs/dbraw/zinc/62/20/14/1180622014.db2.gz ZWLREJUFXARJKZ-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CCC)[C@@H]2C1 ZINC001717605755 1180756211 /nfs/dbraw/zinc/75/62/11/1180756211.db2.gz NWNRFOWDKZMHNT-QKDCVEJESA-N 1 3 279.428 1.198 10 30 CDEEHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CCC)[C@@H]2C1 ZINC001717605755 1180756216 /nfs/dbraw/zinc/75/62/16/1180756216.db2.gz NWNRFOWDKZMHNT-QKDCVEJESA-N 1 3 279.428 1.198 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724174393 1181648178 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CDEEHO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001566879708 1168455227 /nfs/dbraw/zinc/45/52/27/1168455227.db2.gz RZVLICKZFDTROR-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001267169791 896992647 /nfs/dbraw/zinc/99/26/47/896992647.db2.gz XGZXMKKORPDWBX-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001267169791 896992652 /nfs/dbraw/zinc/99/26/52/896992652.db2.gz XGZXMKKORPDWBX-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001272625136 914210252 /nfs/dbraw/zinc/21/02/52/914210252.db2.gz SDMRSMJFWSVUBF-HOTGVXAUSA-N 1 3 293.455 1.424 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001268067313 901091118 /nfs/dbraw/zinc/09/11/18/901091118.db2.gz FBWBRSDNROPEKX-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001567743284 1168944225 /nfs/dbraw/zinc/94/42/25/1168944225.db2.gz 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C#CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)N1CCCCC1 ZINC001567958272 1169095309 /nfs/dbraw/zinc/09/53/09/1169095309.db2.gz LGKZPINBHPHDNL-OAHLLOKOSA-N 1 3 293.455 1.759 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483050559 909047682 /nfs/dbraw/zinc/04/76/82/909047682.db2.gz IRPBNLXSWKMORQ-BEWKBBBFSA-N 1 3 277.412 1.002 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483050559 909047700 /nfs/dbraw/zinc/04/77/00/909047700.db2.gz IRPBNLXSWKMORQ-BEWKBBBFSA-N 1 3 277.412 1.002 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1CC ZINC001483623334 911829981 /nfs/dbraw/zinc/82/99/81/911829981.db2.gz IHCKFJQFNVBEEB-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC2CC2)CC1 ZINC001485388659 916936220 /nfs/dbraw/zinc/93/62/20/916936220.db2.gz OLNHUVILBLEZOV-CQSZACIVSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC2CC2)CC1 ZINC001485388659 916936226 /nfs/dbraw/zinc/93/62/26/916936226.db2.gz 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C=CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001731453547 1182392275 /nfs/dbraw/zinc/39/22/75/1182392275.db2.gz OHVYFZRUISCILW-JOCQHMNTSA-N 1 3 267.417 1.387 10 30 CDEEHO C[N@H+](Cc1ccc(C#CCN)cc1)[C@H]1CCSC1 ZINC000049608998 523202686 /nfs/dbraw/zinc/20/26/86/523202686.db2.gz IFQMSUJAKBFLIX-HNNXBMFYSA-N 1 3 260.406 1.934 10 30 CDEEHO C[N@@H+](Cc1ccc(C#CCN)cc1)[C@H]1CCSC1 ZINC000049608998 523202691 /nfs/dbraw/zinc/20/26/91/523202691.db2.gz IFQMSUJAKBFLIX-HNNXBMFYSA-N 1 3 260.406 1.934 10 30 CDEEHO COc1ccc(C#CC[NH3+])cc1CN(C)[C@H]1CCSC1 ZINC000049609000 523514859 /nfs/dbraw/zinc/51/48/59/523514859.db2.gz BADPVFJALFQEPP-HNNXBMFYSA-N 1 3 290.432 1.943 10 30 CDEEHO N#C[C@@H](N)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062439504 526495759 /nfs/dbraw/zinc/49/57/59/526495759.db2.gz AXYMGKDQPMEYJU-AWEZNQCLSA-N 1 3 250.390 1.035 10 30 CDEEHO NCC#Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000052763105 527149285 /nfs/dbraw/zinc/14/92/85/527149285.db2.gz VDIXBLLYTVNNRA-CYBMUJFWSA-N 1 3 278.421 1.795 10 30 CDEEHO NCC#Cc1ccc(C[N@H+]2CCC[C@@H]2CCCO)s1 ZINC000052763105 527149288 /nfs/dbraw/zinc/14/92/88/527149288.db2.gz VDIXBLLYTVNNRA-CYBMUJFWSA-N 1 3 278.421 1.795 10 30 CDEEHO NCC#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000049608676 527153677 /nfs/dbraw/zinc/15/36/77/527153677.db2.gz HGPHCKLEAAMKCF-QGZVFWFLSA-N 1 3 272.392 1.734 10 30 CDEEHO NCC#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000049608676 527153683 /nfs/dbraw/zinc/15/36/83/527153683.db2.gz HGPHCKLEAAMKCF-QGZVFWFLSA-N 1 3 272.392 1.734 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000900585065 623295040 /nfs/dbraw/zinc/29/50/40/623295040.db2.gz HLBSFYHILVNVCH-HNNXBMFYSA-N 1 3 297.443 1.064 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000876707142 630560521 /nfs/dbraw/zinc/56/05/21/630560521.db2.gz UQBMFQLZYAKSOR-GFCCVEGCSA-N 1 3 273.808 1.447 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001691184582 1158949109 /nfs/dbraw/zinc/94/91/09/1158949109.db2.gz QVPHCGMVXVBCCZ-SHTZXODSSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001483592228 1160953753 /nfs/dbraw/zinc/95/37/53/1160953753.db2.gz LDSQDXJKKMNRDU-HZPDHXFCSA-N 1 3 291.439 1.367 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000876708508 1165897392 /nfs/dbraw/zinc/89/73/92/1165897392.db2.gz SDBQSZNLLLLHJD-KGLIPLIRSA-N 1 3 295.814 1.875 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000876728846 1165904057 /nfs/dbraw/zinc/90/40/57/1165904057.db2.gz XSTAQHRAATVRFE-VXGBXAGGSA-N 1 3 273.808 1.257 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000876728846 1165904063 /nfs/dbraw/zinc/90/40/63/1165904063.db2.gz XSTAQHRAATVRFE-VXGBXAGGSA-N 1 3 273.808 1.257 10 30 CDEEHO CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001568112949 1169138411 /nfs/dbraw/zinc/13/84/11/1169138411.db2.gz QJSGRUXDJTYEDD-KKUMJFAQSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C(C)C ZINC001568464447 1169299884 /nfs/dbraw/zinc/29/98/84/1169299884.db2.gz WKTVNDVAZPXHAX-HOTGVXAUSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001569306253 1169757179 /nfs/dbraw/zinc/75/71/79/1169757179.db2.gz KDKWHELRETULFA-CYBMUJFWSA-N 1 3 265.401 1.141 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001569317759 1169762962 /nfs/dbraw/zinc/76/29/62/1169762962.db2.gz FIMHDSBNPXXPJP-LSDHHAIUSA-N 1 3 281.444 1.633 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001569819764 1170006440 /nfs/dbraw/zinc/00/64/40/1170006440.db2.gz CWQUTDOYSQBOHS-CHWSQXEVSA-N 1 3 276.384 1.355 10 30 CDEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001569986402 1170053972 /nfs/dbraw/zinc/05/39/72/1170053972.db2.gz IMYBORQHNISSEX-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001661655077 1172422626 /nfs/dbraw/zinc/42/26/26/1172422626.db2.gz WZHPPQIXQZRPSK-YHUYYLMFSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCC[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001662304506 1172524691 /nfs/dbraw/zinc/52/46/91/1172524691.db2.gz YECNRRKDSVDVBM-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CC[NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001666245395 1173120998 /nfs/dbraw/zinc/12/09/98/1173120998.db2.gz YDJSOXINCHAQQF-OAHLLOKOSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCCN1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001692391085 1175757737 /nfs/dbraw/zinc/75/77/37/1175757737.db2.gz QJUWNHBGWAHMGY-PMPSAXMXSA-N 1 3 293.455 1.709 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001698910729 1175983954 /nfs/dbraw/zinc/98/39/54/1175983954.db2.gz ZXYSTMPQEGTNPO-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001699403409 1176368169 /nfs/dbraw/zinc/36/81/69/1176368169.db2.gz WULLQUCUBNWKFQ-UONOGXRCSA-N 1 3 267.417 1.530 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001699743904 1176601205 /nfs/dbraw/zinc/60/12/05/1176601205.db2.gz RNYVIEWLLRRNGV-GJZGRUSLSA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001700843052 1177162488 /nfs/dbraw/zinc/16/24/88/1177162488.db2.gz BNYMXEFMNFRWGV-ZIAGYGMSSA-N 1 3 277.412 1.073 10 30 CDEEHO C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001707160518 1177961250 /nfs/dbraw/zinc/96/12/50/1177961250.db2.gz NMVQLAGUZCSKQM-ZBFHGGJFSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001713206298 1178431774 /nfs/dbraw/zinc/43/17/74/1178431774.db2.gz LTKMXSODGBFYTG-FPMFFAJLSA-N 1 3 290.411 1.852 10 30 CDEEHO C=CCN(CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001713559730 1178647207 /nfs/dbraw/zinc/64/72/07/1178647207.db2.gz FZNKESZGEXDDQV-UHFFFAOYSA-N 1 3 277.412 1.381 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001714080871 1178965120 /nfs/dbraw/zinc/96/51/20/1178965120.db2.gz ZGVKGCGABVLRRP-GJZGRUSLSA-N 1 3 279.428 1.342 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001714351108 1179100914 /nfs/dbraw/zinc/10/09/14/1179100914.db2.gz IYEVHVDKTCIEOJ-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001714570377 1179225231 /nfs/dbraw/zinc/22/52/31/1179225231.db2.gz RDMIRNOGKJGZAN-UHFFFAOYSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001714713301 1179352308 /nfs/dbraw/zinc/35/23/08/1179352308.db2.gz BVZPQGMUTSCNTQ-HNNXBMFYSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001714713301 1179352316 /nfs/dbraw/zinc/35/23/16/1179352316.db2.gz BVZPQGMUTSCNTQ-HNNXBMFYSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715857784 1179873458 /nfs/dbraw/zinc/87/34/58/1179873458.db2.gz GFFIBEFKVAGSGH-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001715857784 1179873466 /nfs/dbraw/zinc/87/34/66/1179873466.db2.gz GFFIBEFKVAGSGH-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]CC2CC2)CC1 ZINC001716377915 1180174536 /nfs/dbraw/zinc/17/45/36/1180174536.db2.gz CKJINSKHLKGYCL-ONEGZZNKSA-N 1 3 289.423 1.004 10 30 CDEEHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001716874568 1180449628 /nfs/dbraw/zinc/44/96/28/1180449628.db2.gz MEJPLCAVYJLCBR-WBVHZDCISA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001716875447 1180450257 /nfs/dbraw/zinc/45/02/57/1180450257.db2.gz RACZHIDQTVVDCK-GOEBONIOSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001717376832 1180637817 /nfs/dbraw/zinc/63/78/17/1180637817.db2.gz YVYAOGNHTMAJBS-INIZCTEOSA-N 1 3 293.455 1.971 10 30 CDEEHO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001717376832 1180637821 /nfs/dbraw/zinc/63/78/21/1180637821.db2.gz YVYAOGNHTMAJBS-INIZCTEOSA-N 1 3 293.455 1.971 10 30 CDEEHO C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2CC)C1 ZINC001717394505 1180646127 /nfs/dbraw/zinc/64/61/27/1180646127.db2.gz NPAHNWXSBGESGP-UYSNPLJNSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001725084775 1181851434 /nfs/dbraw/zinc/85/14/34/1181851434.db2.gz CONSDXWGIJHRPN-OLZOCXBDSA-N 1 3 267.417 1.530 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001732455012 1182975354 /nfs/dbraw/zinc/97/53/54/1182975354.db2.gz RAQPJKPISOQICW-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001733917626 1183567557 /nfs/dbraw/zinc/56/75/57/1183567557.db2.gz DCBALCJCTKEUMM-INIZCTEOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001733917626 1183567559 /nfs/dbraw/zinc/56/75/59/1183567559.db2.gz DCBALCJCTKEUMM-INIZCTEOSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001734221006 1183696519 /nfs/dbraw/zinc/69/65/19/1183696519.db2.gz YOZFNONTUAYABV-JOCQHMNTSA-N 1 3 276.384 1.321 10 30 CDEEHO C#CCC[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001734252109 1183704818 /nfs/dbraw/zinc/70/48/18/1183704818.db2.gz FWVLJVFKXQEZJS-HUUCEWRRSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001734263353 1183707975 /nfs/dbraw/zinc/70/79/75/1183707975.db2.gz OYECBOBJWSBLSE-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001734429358 1183776556 /nfs/dbraw/zinc/77/65/56/1183776556.db2.gz DLWDOFYUGFTMEP-KGLIPLIRSA-N 1 3 265.401 1.237 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(C#N)CCCC1 ZINC000849047060 819076554 /nfs/dbraw/zinc/07/65/54/819076554.db2.gz OMXGXOJOLDBQLQ-CYBMUJFWSA-N 1 3 277.416 1.669 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000876800624 819899001 /nfs/dbraw/zinc/89/90/01/819899001.db2.gz OWZNQLCGQYQNOO-GFCCVEGCSA-N 1 3 297.790 1.216 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000876739882 821763295 /nfs/dbraw/zinc/76/32/95/821763295.db2.gz JUMMRFHACIYKQL-QWHCGFSZSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000876739882 821763302 /nfs/dbraw/zinc/76/33/02/821763302.db2.gz JUMMRFHACIYKQL-QWHCGFSZSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000876709401 821859346 /nfs/dbraw/zinc/85/93/46/821859346.db2.gz QTTXXDPKHXIDDE-CYBMUJFWSA-N 1 3 287.835 1.839 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC[NH+](CC)CC ZINC000876708692 822235153 /nfs/dbraw/zinc/23/51/53/822235153.db2.gz XZNFDJFPXDNFHQ-LLVKDONJSA-N 1 3 261.797 1.304 10 30 CDEEHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001566055301 1168222527 /nfs/dbraw/zinc/22/25/27/1168222527.db2.gz RUBKVQYGLDXPNA-CABCVRRESA-N 1 3 279.428 1.293 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001566055301 1168222535 /nfs/dbraw/zinc/22/25/35/1168222535.db2.gz RUBKVQYGLDXPNA-CABCVRRESA-N 1 3 279.428 1.293 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001566871741 1168452776 /nfs/dbraw/zinc/45/27/76/1168452776.db2.gz JVUZOBQERKLKQQ-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001566871741 1168452780 /nfs/dbraw/zinc/45/27/80/1168452780.db2.gz JVUZOBQERKLKQQ-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CC[N@H+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001481000452 898455579 /nfs/dbraw/zinc/45/55/79/898455579.db2.gz ZHOJQEYRWKIHFJ-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)CC[N@@H+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001481000452 898455583 /nfs/dbraw/zinc/45/55/83/898455583.db2.gz ZHOJQEYRWKIHFJ-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001567633594 1168895873 /nfs/dbraw/zinc/89/58/73/1168895873.db2.gz DYSJXXXFMBSSBI-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267780110 899712025 /nfs/dbraw/zinc/71/20/25/899712025.db2.gz ZDGLPXKPLDUGNG-MRXNPFEDSA-N 1 3 293.455 1.971 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001268003940 900256650 /nfs/dbraw/zinc/25/66/50/900256650.db2.gz BOKBSFYGWLIPBT-CABCVRRESA-N 1 3 281.444 1.777 10 30 CDEEHO C=CC[NH2+]C[C@H](CC(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001268110510 901312293 /nfs/dbraw/zinc/31/22/93/901312293.db2.gz GMRDBHOJFMQUTJ-GJZGRUSLSA-N 1 3 281.444 1.635 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001568072903 1169133121 /nfs/dbraw/zinc/13/31/21/1169133121.db2.gz ILZCYTGKBSZZOI-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CCCC[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001485766995 917266883 /nfs/dbraw/zinc/26/68/83/917266883.db2.gz NEKQCHDLTPCZGJ-UHFFFAOYSA-N 1 3 293.455 1.971 10 30 CDEEHO C=CCCC[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001485766995 917266899 /nfs/dbraw/zinc/26/68/99/917266899.db2.gz NEKQCHDLTPCZGJ-UHFFFAOYSA-N 1 3 293.455 1.971 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001273524497 920110261 /nfs/dbraw/zinc/11/02/61/920110261.db2.gz YKLVGUHIYSGMBD-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001273524497 920110270 /nfs/dbraw/zinc/11/02/70/920110270.db2.gz YKLVGUHIYSGMBD-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001490946768 936834346 /nfs/dbraw/zinc/83/43/46/936834346.db2.gz HLAHJEBBMHDVDF-HAQNSBGRSA-N 1 3 262.357 1.074 10 30 CDEEHO C#CCN1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491126444 936862323 /nfs/dbraw/zinc/86/23/23/936862323.db2.gz YGZFVBRYLWBRJD-CABCVRRESA-N 1 3 279.428 1.034 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001568417240 1169279068 /nfs/dbraw/zinc/27/90/68/1169279068.db2.gz UMXNHLYVRHVNLZ-GJZGRUSLSA-N 1 3 279.428 1.177 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001274152711 931205588 /nfs/dbraw/zinc/20/55/88/931205588.db2.gz HIDRCFWKZPFRQN-MWWKQMNYSA-N 1 3 291.439 1.392 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001274152711 931205593 /nfs/dbraw/zinc/20/55/93/931205593.db2.gz HIDRCFWKZPFRQN-MWWKQMNYSA-N 1 3 291.439 1.392 10 30 CDEEHO CC#CCN1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001273444352 932825763 /nfs/dbraw/zinc/82/57/63/932825763.db2.gz AVUXIVWHMYYKNY-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001122132893 937907795 /nfs/dbraw/zinc/90/77/95/937907795.db2.gz ZTKOQQSRGFAKOY-FRRDWIJNSA-N 1 3 253.390 1.126 10 30 CDEEHO C#CCCN1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001276453114 939754457 /nfs/dbraw/zinc/75/44/57/939754457.db2.gz IQTLGRFYYUCJSK-DZGCQCFKSA-N 1 3 279.428 1.032 10 30 CDEEHO CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001568700159 1169437929 /nfs/dbraw/zinc/43/79/29/1169437929.db2.gz LISFHBMXLYMJTJ-ZIAGYGMSSA-N 1 3 267.417 1.080 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001277189606 942151344 /nfs/dbraw/zinc/15/13/44/942151344.db2.gz QVCSXKCNILPEMI-HNNXBMFYSA-N 1 3 291.439 1.511 10 30 CDEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280174912 942421907 /nfs/dbraw/zinc/42/19/07/942421907.db2.gz ZWNZCJYPQZSGAL-ZDUSSCGKSA-N 1 3 287.835 1.519 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001280865582 942529872 /nfs/dbraw/zinc/52/98/72/942529872.db2.gz LCMLLQLOSUJINC-UHFFFAOYSA-N 1 3 278.400 1.699 10 30 CDEEHO C=C(C)CC[N@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001280865582 942529873 /nfs/dbraw/zinc/52/98/73/942529873.db2.gz LCMLLQLOSUJINC-UHFFFAOYSA-N 1 3 278.400 1.699 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001281458367 942579251 /nfs/dbraw/zinc/57/92/51/942579251.db2.gz OQSMOIRHGZPLIH-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001281956968 942636559 /nfs/dbraw/zinc/63/65/59/942636559.db2.gz NRDZHRDMMREPNQ-HUUCEWRRSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001281956968 942636563 /nfs/dbraw/zinc/63/65/63/942636563.db2.gz NRDZHRDMMREPNQ-HUUCEWRRSA-N 1 3 279.428 1.437 10 30 CDEEHO C=C(C)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157872 944091494 /nfs/dbraw/zinc/09/14/94/944091494.db2.gz VVQBLRFVMYGDLC-KGLIPLIRSA-N 1 3 279.428 1.483 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001265088168 944225182 /nfs/dbraw/zinc/22/51/82/944225182.db2.gz AMPKPJWHIPFZJR-DZGCQCFKSA-N 1 3 288.395 1.335 10 30 CDEEHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001279416229 944802777 /nfs/dbraw/zinc/80/27/77/944802777.db2.gz NAMVRWOABNOHDU-GASCZTMLSA-N 1 3 279.428 1.293 10 30 CDEEHO C=CCC[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001279416229 944802785 /nfs/dbraw/zinc/80/27/85/944802785.db2.gz NAMVRWOABNOHDU-GASCZTMLSA-N 1 3 279.428 1.293 10 30 CDEEHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001479988564 971525039 /nfs/dbraw/zinc/52/50/39/971525039.db2.gz RDGLPMXVQCRVRH-CQSZACIVSA-N 1 3 279.428 1.483 10 30 CDEEHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001278505410 949037636 /nfs/dbraw/zinc/03/76/36/949037636.db2.gz RGLIAYUOSXNPNA-INIZCTEOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001480174688 971613779 /nfs/dbraw/zinc/61/37/79/971613779.db2.gz YEWKLTVRPHMEJH-KKUMJFAQSA-N 1 3 279.428 1.674 10 30 CDEEHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001278572713 950213307 /nfs/dbraw/zinc/21/33/07/950213307.db2.gz QKKMQQMLGJRRJL-GOEBONIOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001480664737 971830229 /nfs/dbraw/zinc/83/02/29/971830229.db2.gz DPQDQXCNHRGCLU-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[NH2+][C@H](CCN(C)C(=O)C1(N(C)C)CCC1)C(C)C ZINC001329743257 956092070 /nfs/dbraw/zinc/09/20/70/956092070.db2.gz TZDMSKILMJNPCE-OAHLLOKOSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001317194293 957336931 /nfs/dbraw/zinc/33/69/31/957336931.db2.gz WYZXCFPZGGEICF-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1CCC)C(C)(C)C ZINC001332806589 957851762 /nfs/dbraw/zinc/85/17/62/957851762.db2.gz LQAQIZSHFOJOJP-CABCVRRESA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001494906787 972335338 /nfs/dbraw/zinc/33/53/38/972335338.db2.gz VBYPMALZCDNVGN-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001494906787 972335342 /nfs/dbraw/zinc/33/53/42/972335342.db2.gz VBYPMALZCDNVGN-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1nc[nH]c1C ZINC001319634269 958666595 /nfs/dbraw/zinc/66/65/95/958666595.db2.gz BBSNUIWMADZGPM-CQSZACIVSA-N 1 3 290.411 1.404 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)N(C)C)C1CCCCC1 ZINC001319663401 958678252 /nfs/dbraw/zinc/67/82/52/958678252.db2.gz NALDASCESAWHPV-CVEARBPZSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001320414741 959154846 /nfs/dbraw/zinc/15/48/46/959154846.db2.gz LBQTZVMURUQXNM-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001495247814 972458255 /nfs/dbraw/zinc/45/82/55/972458255.db2.gz FYWXPJHVIPGDKW-DOTOQJQBSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001342308897 963705514 /nfs/dbraw/zinc/70/55/14/963705514.db2.gz ZXYLFAOYJXBZCJ-BBRMVZONSA-N 1 3 281.444 1.894 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C[NH2+]C(C)(C)C ZINC001556465990 965044459 /nfs/dbraw/zinc/04/44/59/965044459.db2.gz FUDRQLALQIZYAJ-UHFFFAOYSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001354645851 968823638 /nfs/dbraw/zinc/82/36/38/968823638.db2.gz UQGCQTLABSKJSJ-QWRGUYRKSA-N 1 3 275.343 1.031 10 30 CDEEHO C[C@@H](CCC#N)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460943859 969569473 /nfs/dbraw/zinc/56/94/73/969569473.db2.gz MYALDBPVINFURK-HNNXBMFYSA-N 1 3 279.428 1.991 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001496734517 973074714 /nfs/dbraw/zinc/07/47/14/973074714.db2.gz GAKNIJNRXSRBCD-HNNXBMFYSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001496734517 973074727 /nfs/dbraw/zinc/07/47/27/973074727.db2.gz GAKNIJNRXSRBCD-HNNXBMFYSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001497877697 973562245 /nfs/dbraw/zinc/56/22/45/973562245.db2.gz OCCKJJRXOWAJIG-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCN1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001501422584 974582533 /nfs/dbraw/zinc/58/25/33/974582533.db2.gz WKACAOXIUVHEML-UONOGXRCSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CCC[NH2+]C1(C)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001502805543 974787059 /nfs/dbraw/zinc/78/70/59/974787059.db2.gz KFTHNEBFUWLLHL-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001507011398 975294925 /nfs/dbraw/zinc/29/49/25/975294925.db2.gz MLNUPBIGVMYDEN-CQSZACIVSA-N 1 3 279.428 1.483 10 30 CDEEHO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)CC1(C)C ZINC001677004818 1174308325 /nfs/dbraw/zinc/30/83/25/1174308325.db2.gz ZEIIBJCLFCBFGZ-UONOGXRCSA-N 1 3 297.418 1.126 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000594427076 342897309 /nfs/dbraw/zinc/89/73/09/342897309.db2.gz SOPLCHTYZDMSFL-CQSZACIVSA-N 1 3 278.400 1.141 10 30 CDEEHO N#CC1(C[C@@H](O)C[NH2+]CCCN2CCCC2)CCOCC1 ZINC000600714775 342242778 /nfs/dbraw/zinc/24/27/78/342242778.db2.gz PDCDFHTVXISCAN-OAHLLOKOSA-N 1 3 295.427 1.133 10 30 CDEEHO N#CC1(C[C@@H](O)CNCCC[NH+]2CCCC2)CCOCC1 ZINC000600714775 342242779 /nfs/dbraw/zinc/24/27/79/342242779.db2.gz PDCDFHTVXISCAN-OAHLLOKOSA-N 1 3 295.427 1.133 10 30 CDEEHO Cc1csc(CNC(NCCCN(C)C)=[NH+]C2CC2)n1 ZINC000075583535 346759445 /nfs/dbraw/zinc/75/94/45/346759445.db2.gz YWRCZDLOOGUWAK-UHFFFAOYSA-N 1 3 295.456 1.601 10 30 CDEEHO C[C@@H](CCN(C)C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000342724343 356148178 /nfs/dbraw/zinc/14/81/78/356148178.db2.gz HFMBAPYEYAUAKB-LBPRGKRZSA-N 1 3 271.368 1.636 10 30 CDEEHO CCN(CC#CCN(CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361597552 368926969 /nfs/dbraw/zinc/92/69/69/368926969.db2.gz ZDZRYHPWFRSFJD-HOTGVXAUSA-N 1 3 280.412 1.211 10 30 CDEEHO CCN(CC#CC[N@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361597552 368926971 /nfs/dbraw/zinc/92/69/71/368926971.db2.gz ZDZRYHPWFRSFJD-HOTGVXAUSA-N 1 3 280.412 1.211 10 30 CDEEHO CCN(CC#CC[N@@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361597552 368926973 /nfs/dbraw/zinc/92/69/73/368926973.db2.gz ZDZRYHPWFRSFJD-HOTGVXAUSA-N 1 3 280.412 1.211 10 30 CDEEHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc(C#N)cc1 ZINC000422986835 374366118 /nfs/dbraw/zinc/36/61/18/374366118.db2.gz DKSBAYCVPWXYEL-BBRMVZONSA-N 1 3 273.380 1.915 10 30 CDEEHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000417062910 391341833 /nfs/dbraw/zinc/34/18/33/391341833.db2.gz MTYZXCAPZMZITH-QLFBSQMISA-N 1 3 296.459 1.720 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000662700339 413338903 /nfs/dbraw/zinc/33/89/03/413338903.db2.gz HLXZIXQZMJZBPK-HIFRSBDPSA-N 1 3 265.401 1.143 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@@]2(N(C)C)CCSC2)CCC[NH2+]1 ZINC000662683132 424316041 /nfs/dbraw/zinc/31/60/41/424316041.db2.gz WOFRDHAUDWHKCP-LSDHHAIUSA-N 1 3 297.468 1.238 10 30 CDEEHO C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001667426489 1173265513 /nfs/dbraw/zinc/26/55/13/1173265513.db2.gz ONCHNKSDJFIXCH-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001667426489 1173265517 /nfs/dbraw/zinc/26/55/17/1173265517.db2.gz ONCHNKSDJFIXCH-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CC2CCC2)CC1 ZINC001669483215 1173555685 /nfs/dbraw/zinc/55/56/85/1173555685.db2.gz XPPMZLRPEJZSCD-CQSZACIVSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001698849501 1159088579 /nfs/dbraw/zinc/08/85/79/1159088579.db2.gz YAJFWTIHJGUUQT-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C[NH+]=C(NC1CC1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262814604 330033498 /nfs/dbraw/zinc/03/34/98/330033498.db2.gz RSAYYXVOMAXKEY-LBPRGKRZSA-N 1 3 250.390 1.331 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001670793912 1159857045 /nfs/dbraw/zinc/85/70/45/1159857045.db2.gz ZHXKJEGUBMRMGF-CQSZACIVSA-N 1 3 279.428 1.675 10 30 CDEEHO C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001700442095 1176930698 /nfs/dbraw/zinc/93/06/98/1176930698.db2.gz MFIMRFFECKXORF-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO CCN1CCC[C@@H](NC(=O)c2cccc(C#CC[NH3+])c2)C1 ZINC000049232058 521623181 /nfs/dbraw/zinc/62/31/81/521623181.db2.gz SGPGTGVPJRUXHK-MRXNPFEDSA-N 1 3 285.391 1.211 10 30 CDEEHO C[N@H+](CCOc1ccc(C#CCN)cc1)C1CCOCC1 ZINC000049609335 522903101 /nfs/dbraw/zinc/90/31/01/522903101.db2.gz HOCBKENZFAUBDN-UHFFFAOYSA-N 1 3 288.391 1.486 10 30 CDEEHO C[N@@H+](CCOc1ccc(C#CCN)cc1)C1CCOCC1 ZINC000049609335 522903105 /nfs/dbraw/zinc/90/31/05/522903105.db2.gz HOCBKENZFAUBDN-UHFFFAOYSA-N 1 3 288.391 1.486 10 30 CDEEHO NCC#Cc1ccccc1C[N@@H+]1CCCSCC1 ZINC000049609937 527152869 /nfs/dbraw/zinc/15/28/69/527152869.db2.gz KCFCROQZGXJYHA-UHFFFAOYSA-N 1 3 260.406 1.936 10 30 CDEEHO NCC#Cc1ccccc1C[N@H+]1CCCSCC1 ZINC000049609937 527152875 /nfs/dbraw/zinc/15/28/75/527152875.db2.gz KCFCROQZGXJYHA-UHFFFAOYSA-N 1 3 260.406 1.936 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001671359426 1158716581 /nfs/dbraw/zinc/71/65/81/1158716581.db2.gz GFFXXBCBQZNAFA-MRXNPFEDSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001691095514 1158906672 /nfs/dbraw/zinc/90/66/72/1158906672.db2.gz APLHWSAOVXABCN-OWCLPIDISA-N 1 3 291.439 1.367 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001691098386 1158907605 /nfs/dbraw/zinc/90/76/05/1158907605.db2.gz JYANFZYJKAJCJC-GASCZTMLSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001691158480 1158938169 /nfs/dbraw/zinc/93/81/69/1158938169.db2.gz FYEGDGSNOFLTIF-HDJSIYSDSA-N 1 3 279.428 1.531 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480903289 1158994648 /nfs/dbraw/zinc/99/46/48/1158994648.db2.gz PXGAJYPMRPARHS-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001480903289 1158994653 /nfs/dbraw/zinc/99/46/53/1158994653.db2.gz PXGAJYPMRPARHS-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001698849496 1159087949 /nfs/dbraw/zinc/08/79/49/1159087949.db2.gz YAJFWTIHJGUUQT-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001733046098 1160469661 /nfs/dbraw/zinc/46/96/61/1160469661.db2.gz VNUWIEWLZBXVFW-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001733046098 1160469664 /nfs/dbraw/zinc/46/96/64/1160469664.db2.gz VNUWIEWLZBXVFW-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000876720121 1165900491 /nfs/dbraw/zinc/90/04/91/1165900491.db2.gz CDJBAVCKVKXHPX-AWEZNQCLSA-N 1 3 299.846 1.980 10 30 CDEEHO CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001567232215 1168631768 /nfs/dbraw/zinc/63/17/68/1168631768.db2.gz ULPIHEUMXXMGJD-HZPDHXFCSA-N 1 3 293.455 1.757 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001569305953 1169757865 /nfs/dbraw/zinc/75/78/65/1169757865.db2.gz DPPBBVNTTVKLML-CVEARBPZSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001570683655 1170230861 /nfs/dbraw/zinc/23/08/61/1170230861.db2.gz BWWOFKXLQPXEFA-UHFFFAOYSA-N 1 3 292.427 1.993 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001669583792 1173572868 /nfs/dbraw/zinc/57/28/68/1173572868.db2.gz APNYCMVZUOKMJM-KBPBESRZSA-N 1 3 269.433 1.633 10 30 CDEEHO CC#CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001673982220 1173903861 /nfs/dbraw/zinc/90/38/61/1173903861.db2.gz QBJOZUBYQLRQLW-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001698927532 1175986641 /nfs/dbraw/zinc/98/66/41/1175986641.db2.gz FRYGBZOODVJVHQ-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001699363770 1176320959 /nfs/dbraw/zinc/32/09/59/1176320959.db2.gz UZQYMTWCIWYONK-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001699472626 1176433097 /nfs/dbraw/zinc/43/30/97/1176433097.db2.gz VWXGUUHFWFXYSR-KGLIPLIRSA-N 1 3 269.433 1.585 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001699472626 1176433099 /nfs/dbraw/zinc/43/30/99/1176433099.db2.gz VWXGUUHFWFXYSR-KGLIPLIRSA-N 1 3 269.433 1.585 10 30 CDEEHO C#CCNC1(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001699670110 1176562574 /nfs/dbraw/zinc/56/25/74/1176562574.db2.gz FJUFDEYZVQSEJN-UHFFFAOYSA-N 1 3 277.412 1.124 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)CCC)CC1 ZINC001699669189 1176563008 /nfs/dbraw/zinc/56/30/08/1176563008.db2.gz AIUYRLHGXNXJCM-UHFFFAOYSA-N 1 3 253.390 1.143 10 30 CDEEHO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001700769051 1177123670 /nfs/dbraw/zinc/12/36/70/1177123670.db2.gz VNLNHYKIXQLSGR-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001713221672 1178440884 /nfs/dbraw/zinc/44/08/84/1178440884.db2.gz NJNLDYQNPRXSBW-CQSZACIVSA-N 1 3 290.411 1.665 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001713221672 1178440889 /nfs/dbraw/zinc/44/08/89/1178440889.db2.gz NJNLDYQNPRXSBW-CQSZACIVSA-N 1 3 290.411 1.665 10 30 CDEEHO C=C(C)CN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001713838555 1178787604 /nfs/dbraw/zinc/78/76/04/1178787604.db2.gz QTJWNKRDKAUAMH-OAHLLOKOSA-N 1 3 279.428 1.629 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1nc[nH]c1C ZINC001714535766 1179192824 /nfs/dbraw/zinc/19/28/24/1179192824.db2.gz MTKUJYFFRPIMPK-AWEZNQCLSA-N 1 3 290.411 1.807 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1nc[nH]c1C ZINC001714535766 1179192825 /nfs/dbraw/zinc/19/28/25/1179192825.db2.gz MTKUJYFFRPIMPK-AWEZNQCLSA-N 1 3 290.411 1.807 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001716984526 1180491597 /nfs/dbraw/zinc/49/15/97/1180491597.db2.gz KHIJYRJWKLLDQG-GJZGRUSLSA-N 1 3 293.455 1.731 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001717111150 1180533258 /nfs/dbraw/zinc/53/32/58/1180533258.db2.gz MKHNMUCIZKGWMX-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001717337803 1180622722 /nfs/dbraw/zinc/62/27/22/1180622722.db2.gz ZWLREJUFXARJKZ-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001717337803 1180622718 /nfs/dbraw/zinc/62/27/18/1180622718.db2.gz ZWLREJUFXARJKZ-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCC)C2CC2)CC1 ZINC001723356822 1181543121 /nfs/dbraw/zinc/54/31/21/1181543121.db2.gz UFEWEHAAONHJQB-INIZCTEOSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CCCC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCC1 ZINC001724800450 1181757995 /nfs/dbraw/zinc/75/79/95/1181757995.db2.gz AHWFSVRSNWDXBR-UHFFFAOYSA-N 1 3 290.411 1.855 10 30 CDEEHO C=C(C)CN1CC([C@@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001725269016 1181946618 /nfs/dbraw/zinc/94/66/18/1181946618.db2.gz KTRYZKLDSZFWBW-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CN1CC([C@@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001725269016 1181946621 /nfs/dbraw/zinc/94/66/21/1181946621.db2.gz KTRYZKLDSZFWBW-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001480474116 967948108 /nfs/dbraw/zinc/94/81/08/967948108.db2.gz HNCGNEYBLCBPBY-GFCCVEGCSA-N 1 3 253.390 1.141 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877354411 823792614 /nfs/dbraw/zinc/79/26/14/823792614.db2.gz GWLOYMFSSZCZBM-YIZRAAEISA-N 1 3 299.724 1.052 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000876526133 824014497 /nfs/dbraw/zinc/01/44/97/824014497.db2.gz SUAILNUHLAAHJB-GHMZBOCLSA-N 1 3 259.781 1.057 10 30 CDEEHO CN1CCN(CC[NH2+]Cc2csc(C#N)c2)CC1(C)C ZINC000922098731 824189682 /nfs/dbraw/zinc/18/96/82/824189682.db2.gz LWNPYAOOEGHUKC-UHFFFAOYSA-N 1 3 292.452 1.735 10 30 CDEEHO C#C[C@@](C)(CC)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000852100354 824258202 /nfs/dbraw/zinc/25/82/02/824258202.db2.gz WKHJQORDAPTYBM-INIZCTEOSA-N 1 3 277.412 1.121 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000876539467 824353653 /nfs/dbraw/zinc/35/36/53/824353653.db2.gz HJPXWKCMHFCMLA-ZWNOBZJWSA-N 1 3 281.787 1.792 10 30 CDEEHO C[NH+]=C(NCC1(C)CC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261964952 824585551 /nfs/dbraw/zinc/58/55/51/824585551.db2.gz LDJOUSXMPUXOMZ-CHWSQXEVSA-N 1 3 266.433 1.680 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000876772507 824815686 /nfs/dbraw/zinc/81/56/86/824815686.db2.gz OKIIAXVESUJSPS-KGYLQXTDSA-N 1 3 287.835 1.645 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000876772507 824815687 /nfs/dbraw/zinc/81/56/87/824815687.db2.gz OKIIAXVESUJSPS-KGYLQXTDSA-N 1 3 287.835 1.645 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000876724355 824844490 /nfs/dbraw/zinc/84/44/90/824844490.db2.gz UYFRCBXVKJDHIH-AWEZNQCLSA-N 1 3 299.846 1.791 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000876967905 825323743 /nfs/dbraw/zinc/32/37/43/825323743.db2.gz MZWNLMKNDQZOBO-FGNRJIRKSA-N 1 3 271.792 1.198 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000876967905 825323755 /nfs/dbraw/zinc/32/37/55/825323755.db2.gz MZWNLMKNDQZOBO-FGNRJIRKSA-N 1 3 271.792 1.198 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000876524606 828812430 /nfs/dbraw/zinc/81/24/30/828812430.db2.gz QVJZUVQTAAYKAG-LBPRGKRZSA-N 1 3 283.759 1.433 10 30 CDEEHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000715569061 825727260 /nfs/dbraw/zinc/72/72/60/825727260.db2.gz GAZPMIKAVRIZKR-BFHYXJOUSA-N 1 3 280.416 1.387 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000877015640 826148091 /nfs/dbraw/zinc/14/80/91/826148091.db2.gz XRYPQSJBIKSTHT-ZDUSSCGKSA-N 1 3 293.798 1.894 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876842805 826879703 /nfs/dbraw/zinc/87/97/03/826879703.db2.gz LQLYSLUBBVDOJN-AAEUAGOBSA-N 1 3 271.792 1.058 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872277050 828316835 /nfs/dbraw/zinc/31/68/35/828316835.db2.gz OBXVASQKKCGDER-WDEREUQCSA-N 1 3 273.808 1.351 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001645360510 1167396312 /nfs/dbraw/zinc/39/63/12/1167396312.db2.gz YBHAZNYJFWIFLI-UONOGXRCSA-N 1 3 265.401 1.189 10 30 CDEEHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001502754782 1167774901 /nfs/dbraw/zinc/77/49/01/1167774901.db2.gz XBYVDUMMCIMNQQ-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CCCCN1CC ZINC001267257458 897357733 /nfs/dbraw/zinc/35/77/33/897357733.db2.gz WUHKFXSKSVZNSB-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCCCN1CC ZINC001267257458 897357741 /nfs/dbraw/zinc/35/77/41/897357741.db2.gz WUHKFXSKSVZNSB-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCCN1CC ZINC001267257457 897358574 /nfs/dbraw/zinc/35/85/74/897358574.db2.gz WUHKFXSKSVZNSB-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCCCN1CC ZINC001267257457 897358585 /nfs/dbraw/zinc/35/85/85/897358585.db2.gz WUHKFXSKSVZNSB-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001267571897 898444971 /nfs/dbraw/zinc/44/49/71/898444971.db2.gz UQMGUTPIYIBSTI-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001267571897 898444977 /nfs/dbraw/zinc/44/49/77/898444977.db2.gz UQMGUTPIYIBSTI-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001567633686 1168896268 /nfs/dbraw/zinc/89/62/68/1168896268.db2.gz MWTSGPDETOEABG-GDBMZVCRSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267639088 899123658 /nfs/dbraw/zinc/12/36/58/899123658.db2.gz XYUBWWHUVMYGFX-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267639088 899123665 /nfs/dbraw/zinc/12/36/65/899123665.db2.gz XYUBWWHUVMYGFX-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268252814 901671663 /nfs/dbraw/zinc/67/16/63/901671663.db2.gz GQEVBJDLMGOHIF-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001268252814 901671667 /nfs/dbraw/zinc/67/16/67/901671667.db2.gz GQEVBJDLMGOHIF-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[NH2+]C[C@@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001481947188 902394294 /nfs/dbraw/zinc/39/42/94/902394294.db2.gz IDBGSWRQTYBFMO-MRXNPFEDSA-N 1 3 290.411 1.711 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001482065331 902583158 /nfs/dbraw/zinc/58/31/58/902583158.db2.gz ZFIYUHUTVRMGGO-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001284195349 902667819 /nfs/dbraw/zinc/66/78/19/902667819.db2.gz JZPDJIFACPIFQD-GJZGRUSLSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001482229925 903909962 /nfs/dbraw/zinc/90/99/62/903909962.db2.gz KETOSBDMOOSPAA-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001485076937 916476665 /nfs/dbraw/zinc/47/66/65/916476665.db2.gz LNJBSWSUCGGEHG-JKSUJKDBSA-N 1 3 293.455 1.519 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001485076937 916476675 /nfs/dbraw/zinc/47/66/75/916476675.db2.gz LNJBSWSUCGGEHG-JKSUJKDBSA-N 1 3 293.455 1.519 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001279169613 917220368 /nfs/dbraw/zinc/22/03/68/917220368.db2.gz HLGDYGCWCPDZAY-JKSUJKDBSA-N 1 3 291.439 1.036 10 30 CDEEHO CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001486133328 920736103 /nfs/dbraw/zinc/73/61/03/920736103.db2.gz AVVXANWOYVYNMA-HZPDHXFCSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001486399732 920964891 /nfs/dbraw/zinc/96/48/91/920964891.db2.gz WZENMEPBFHGVJF-OAHLLOKOSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001488880234 926748996 /nfs/dbraw/zinc/74/89/96/926748996.db2.gz PWIUQKUZUUEWAP-HDJSIYSDSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001275001135 931631120 /nfs/dbraw/zinc/63/11/20/931631120.db2.gz LLUBGAUYNVKHMH-LLVKDONJSA-N 1 3 264.373 1.321 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001283618544 942950110 /nfs/dbraw/zinc/95/01/10/942950110.db2.gz VMTVRGPZWYERKX-KBPBESRZSA-N 1 3 267.417 1.032 10 30 CDEEHO C#CCC[NH+]1CCC([C@H](C)NC(=O)CN(C)CCC)CC1 ZINC001284726038 943248140 /nfs/dbraw/zinc/24/81/40/943248140.db2.gz NAOJODARMKPEOQ-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001265655990 944458373 /nfs/dbraw/zinc/45/83/73/944458373.db2.gz UDKJUMMIKFIKTQ-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001265655990 944458378 /nfs/dbraw/zinc/45/83/78/944458378.db2.gz UDKJUMMIKFIKTQ-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001278324093 946152501 /nfs/dbraw/zinc/15/25/01/946152501.db2.gz CICQKHNLSJXSCC-OLZOCXBDSA-N 1 3 253.390 1.092 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479833345 971441493 /nfs/dbraw/zinc/44/14/93/971441493.db2.gz XVYCBQWSCFUOKI-HOTGVXAUSA-N 1 3 293.455 1.709 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001480020315 971541536 /nfs/dbraw/zinc/54/15/36/971541536.db2.gz RICKBTZTLCKAMM-GJZGRUSLSA-N 1 3 279.428 1.530 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001480254595 971649830 /nfs/dbraw/zinc/64/98/30/971649830.db2.gz FTUWDQQVLLGUBQ-LSDHHAIUSA-N 1 3 299.434 1.681 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001480254595 971649835 /nfs/dbraw/zinc/64/98/35/971649835.db2.gz FTUWDQQVLLGUBQ-LSDHHAIUSA-N 1 3 299.434 1.681 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001480287661 971659018 /nfs/dbraw/zinc/65/90/18/971659018.db2.gz GADHUEOELYDIMD-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CC[NH2+][C@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001480792423 971880222 /nfs/dbraw/zinc/88/02/22/971880222.db2.gz NDJUCJLUMSTDQN-CYBMUJFWSA-N 1 3 269.433 1.635 10 30 CDEEHO C#CCN1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001328281415 955250861 /nfs/dbraw/zinc/25/08/61/955250861.db2.gz CPKMQWFPSPPFDF-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491965100 955548805 /nfs/dbraw/zinc/54/88/05/955548805.db2.gz GZDFAIQSNKDLBM-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491965100 955548820 /nfs/dbraw/zinc/54/88/20/955548820.db2.gz GZDFAIQSNKDLBM-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001493869918 972130637 /nfs/dbraw/zinc/13/06/37/972130637.db2.gz BVONDSYOTILMTL-MRXNPFEDSA-N 1 3 295.471 1.813 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001493869918 972130640 /nfs/dbraw/zinc/13/06/40/972130640.db2.gz BVONDSYOTILMTL-MRXNPFEDSA-N 1 3 295.471 1.813 10 30 CDEEHO C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001422293146 955920428 /nfs/dbraw/zinc/92/04/28/955920428.db2.gz JLXYBBSTBLASDR-WXRRBKDZSA-N 1 3 287.835 1.564 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001331559978 957137680 /nfs/dbraw/zinc/13/76/80/957137680.db2.gz IBMGFYNSMVNPLZ-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001317140585 957301248 /nfs/dbraw/zinc/30/12/48/957301248.db2.gz QZGITJGVEXETDF-HNNXBMFYSA-N 1 3 295.471 1.979 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001317140585 957301257 /nfs/dbraw/zinc/30/12/57/957301257.db2.gz QZGITJGVEXETDF-HNNXBMFYSA-N 1 3 295.471 1.979 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001333319182 958246649 /nfs/dbraw/zinc/24/66/49/958246649.db2.gz BODVIXYNDSVBSM-LBPRGKRZSA-N 1 3 267.760 1.231 10 30 CDEEHO C#CCNC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001319593733 958642919 /nfs/dbraw/zinc/64/29/19/958642919.db2.gz QMKHXYMQPYFHDK-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001320756921 959374081 /nfs/dbraw/zinc/37/40/81/959374081.db2.gz UNCVSKWTYGRCIG-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001320756921 959374094 /nfs/dbraw/zinc/37/40/94/959374094.db2.gz UNCVSKWTYGRCIG-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)CC[NH2+]CCN(CC)C(=O)CN1CC[C@H](C)C1 ZINC001320841511 959421057 /nfs/dbraw/zinc/42/10/57/959421057.db2.gz ZHOYCXCAAUHKRK-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001321097537 959589132 /nfs/dbraw/zinc/58/91/32/959589132.db2.gz OZKGLXJPSMPZBU-NFAHFFEMSA-N 1 3 277.412 1.146 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001321097537 959589149 /nfs/dbraw/zinc/58/91/49/959589149.db2.gz OZKGLXJPSMPZBU-NFAHFFEMSA-N 1 3 277.412 1.146 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1CC ZINC001569339853 1169773223 /nfs/dbraw/zinc/77/32/23/1169773223.db2.gz FROCSDDVSNTWML-HIFRSBDPSA-N 1 3 290.411 1.745 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1CC ZINC001323166576 960490723 /nfs/dbraw/zinc/49/07/23/960490723.db2.gz DEYDESXTTUUBGR-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[NH+]1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001479888508 965649730 /nfs/dbraw/zinc/64/97/30/965649730.db2.gz HSPFFZCGUVVQHQ-UHFFFAOYSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001569642162 1169949575 /nfs/dbraw/zinc/94/95/75/1169949575.db2.gz YGSAPXJWMUWYJX-GOEBONIOSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001569642162 1169949580 /nfs/dbraw/zinc/94/95/80/1169949580.db2.gz YGSAPXJWMUWYJX-GOEBONIOSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCCN1CC ZINC001497500514 973369149 /nfs/dbraw/zinc/36/91/49/973369149.db2.gz HPQHBCXDFPWTTJ-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001506754184 975216075 /nfs/dbraw/zinc/21/60/75/975216075.db2.gz VNCUUMLPMNXLRK-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001507443904 975473095 /nfs/dbraw/zinc/47/30/95/975473095.db2.gz RNMLNMAVBDTDFG-HUUCEWRRSA-N 1 3 293.455 1.423 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001403466195 976967994 /nfs/dbraw/zinc/96/79/94/976967994.db2.gz XLKXNQUSJREVIZ-JOCQHMNTSA-N 1 3 287.835 1.564 10 30 CDEEHO C#CCN1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001570185537 1170105131 /nfs/dbraw/zinc/10/51/31/1170105131.db2.gz NGBGCAGQBIMSBY-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCN1CCC[C@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001570185537 1170105133 /nfs/dbraw/zinc/10/51/33/1170105133.db2.gz NGBGCAGQBIMSBY-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H](O)CC1(C#N)CC1 ZINC000599300073 343999100 /nfs/dbraw/zinc/99/91/00/343999100.db2.gz MGOSJEXGNRECJE-HUUCEWRRSA-N 1 3 279.428 1.847 10 30 CDEEHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H](O)CC1(C#N)CC1 ZINC000599300073 343999102 /nfs/dbraw/zinc/99/91/02/343999102.db2.gz MGOSJEXGNRECJE-HUUCEWRRSA-N 1 3 279.428 1.847 10 30 CDEEHO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000592504165 342706320 /nfs/dbraw/zinc/70/63/20/342706320.db2.gz NSDOUKCFDNSTRZ-AWEZNQCLSA-N 1 3 280.416 1.030 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000594435510 342898829 /nfs/dbraw/zinc/89/88/29/342898829.db2.gz GNZCMQSCVPPUIC-STQMWFEESA-N 1 3 266.389 1.046 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000594449405 342909609 /nfs/dbraw/zinc/90/96/09/342909609.db2.gz IOOZNJAQRISZEG-STQMWFEESA-N 1 3 278.400 1.189 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000594450354 342909789 /nfs/dbraw/zinc/90/97/89/342909789.db2.gz ZEKUHZWDWFSUHV-CHWSQXEVSA-N 1 3 278.400 1.189 10 30 CDEEHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](N)CCCCC#N ZINC000596577334 343353796 /nfs/dbraw/zinc/35/37/96/343353796.db2.gz CZPSFDLKELTMNX-ZDUSSCGKSA-N 1 3 282.432 1.634 10 30 CDEEHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](N)CCCCC#N ZINC000596577334 343353797 /nfs/dbraw/zinc/35/37/97/343353797.db2.gz CZPSFDLKELTMNX-ZDUSSCGKSA-N 1 3 282.432 1.634 10 30 CDEEHO CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCN(C2CC2)C1 ZINC000594436314 358623992 /nfs/dbraw/zinc/62/39/92/358623992.db2.gz DBAWWIWMPYCKQS-KBPBESRZSA-N 1 3 278.400 1.093 10 30 CDEEHO C=CCC[C@H](O)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104681 392012032 /nfs/dbraw/zinc/01/20/32/392012032.db2.gz LVLYZIUAVOISQD-AWEZNQCLSA-N 1 3 268.401 1.110 10 30 CDEEHO C=CCNC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295144 414620512 /nfs/dbraw/zinc/62/05/12/414620512.db2.gz FNZCCYVERMHKRT-DZGCQCFKSA-N 1 3 279.428 1.389 10 30 CDEEHO C[NH+](C)C1CCN(Cc2sccc2C#CCN)CC1 ZINC000043683698 175091942 /nfs/dbraw/zinc/09/19/42/175091942.db2.gz XIGJKMVTFDVWPV-UHFFFAOYSA-N 1 3 277.437 1.584 10 30 CDEEHO COC[C@@H](C)N(C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683832 175092474 /nfs/dbraw/zinc/09/24/74/175092474.db2.gz TZVREHYKAUWOQS-LLVKDONJSA-N 1 3 252.383 1.525 10 30 CDEEHO CCN[C@](C)(C#N)CCC[NH+]1CCC(N(C)C)CC1 ZINC000045311104 175356166 /nfs/dbraw/zinc/35/61/66/175356166.db2.gz QATKKOMIUXBYCX-HNNXBMFYSA-N 1 3 266.433 1.684 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001667751636 1173320382 /nfs/dbraw/zinc/32/03/82/1173320382.db2.gz LXCWUWRUKIGRQL-LSDHHAIUSA-N 1 3 293.455 1.472 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001668279745 1173391940 /nfs/dbraw/zinc/39/19/40/1173391940.db2.gz XDRLZRLLPRCVPP-CHWSQXEVSA-N 1 3 255.406 1.387 10 30 CDEEHO CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001671804352 1173713871 /nfs/dbraw/zinc/71/38/71/1173713871.db2.gz AHQGUUPMVIJSID-RDJZCZTQSA-N 1 3 293.455 1.424 10 30 CDEEHO CN1CCC[C@H]2C[N@H+](CCOCCC#N)CC[C@H]21 ZINC000339020154 327008101 /nfs/dbraw/zinc/00/81/01/327008101.db2.gz DEXQYVKTUBALAK-UONOGXRCSA-N 1 3 251.374 1.333 10 30 CDEEHO CN1CCC[C@H]2C[N@@H+](CCOCCC#N)CC[C@H]21 ZINC000339020154 327008103 /nfs/dbraw/zinc/00/81/03/327008103.db2.gz DEXQYVKTUBALAK-UONOGXRCSA-N 1 3 251.374 1.333 10 30 CDEEHO CC(C)CN1CCCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262474157 330015802 /nfs/dbraw/zinc/01/58/02/330015802.db2.gz BQFYQZINWIGTDY-STQMWFEESA-N 1 3 252.406 1.434 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(C)CCC1 ZINC000262722083 330028736 /nfs/dbraw/zinc/02/87/36/330028736.db2.gz WHNZZVVBUULKOF-LBPRGKRZSA-N 1 3 252.406 1.565 10 30 CDEEHO CC[NH+]=C(NC1CCC1)N1CC[C@H](N(CC)CC)C1 ZINC000262798873 330032201 /nfs/dbraw/zinc/03/22/01/330032201.db2.gz QMCRJXCEZMYOCX-AWEZNQCLSA-N 1 3 266.433 1.921 10 30 CDEEHO C#CCN(C)CCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000491636530 332257339 /nfs/dbraw/zinc/25/73/39/332257339.db2.gz SXFCBGOCZVGFEV-HNNXBMFYSA-N 1 3 296.459 1.217 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001698983775 1176007833 /nfs/dbraw/zinc/00/78/33/1176007833.db2.gz NTCTZGNUIUSLCU-ZDUSSCGKSA-N 1 3 253.390 1.047 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001698983775 1176007840 /nfs/dbraw/zinc/00/78/40/1176007840.db2.gz NTCTZGNUIUSLCU-ZDUSSCGKSA-N 1 3 253.390 1.047 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483016376 1160665891 /nfs/dbraw/zinc/66/58/91/1160665891.db2.gz COOXAOKSHLWNRV-OGZRUICASA-N 1 3 289.423 1.289 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001483016376 1160665894 /nfs/dbraw/zinc/66/58/94/1160665894.db2.gz COOXAOKSHLWNRV-OGZRUICASA-N 1 3 289.423 1.289 10 30 CDEEHO CC#CCN1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001713278135 1178464100 /nfs/dbraw/zinc/46/41/00/1178464100.db2.gz REWWEEUSDYRXQD-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001713635948 1178690819 /nfs/dbraw/zinc/69/08/19/1178690819.db2.gz SCGUDZRDINMOTI-OAHLLOKOSA-N 1 3 285.407 1.433 10 30 CDEEHO C#CC[N@H+](C)CCCN[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894631655 618998179 /nfs/dbraw/zinc/99/81/79/618998179.db2.gz NFKJYXFOQYBIBP-KGLIPLIRSA-N 1 3 284.375 1.165 10 30 CDEEHO C#CC[N@@H+](C)CCCN[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894631655 618998180 /nfs/dbraw/zinc/99/81/80/618998180.db2.gz NFKJYXFOQYBIBP-KGLIPLIRSA-N 1 3 284.375 1.165 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691180453 1158947598 /nfs/dbraw/zinc/94/75/98/1158947598.db2.gz CONPBCINYCRWSC-INIZCTEOSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001496487027 1159925901 /nfs/dbraw/zinc/92/59/01/1159925901.db2.gz KHNHCMZHVPKJEH-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001565914445 1168201685 /nfs/dbraw/zinc/20/16/85/1168201685.db2.gz HZVXLLOFPSXJDP-RRFJBIMHSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001567109065 1168564742 /nfs/dbraw/zinc/56/47/42/1168564742.db2.gz LMKROXOADTVZDT-INIZCTEOSA-N 1 3 291.439 1.466 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001567192510 1168614494 /nfs/dbraw/zinc/61/44/94/1168614494.db2.gz BGHPVCGJVKDQDK-OAHLLOKOSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001567192510 1168614499 /nfs/dbraw/zinc/61/44/99/1168614499.db2.gz BGHPVCGJVKDQDK-OAHLLOKOSA-N 1 3 291.439 1.417 10 30 CDEEHO C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001567744234 1168944788 /nfs/dbraw/zinc/94/47/88/1168944788.db2.gz FMNBMPKNMFWRSY-OAHLLOKOSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001567744234 1168944795 /nfs/dbraw/zinc/94/47/95/1168944795.db2.gz FMNBMPKNMFWRSY-OAHLLOKOSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCC[NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1 ZINC001568940283 1169554763 /nfs/dbraw/zinc/55/47/63/1169554763.db2.gz UCEKVKYAQIFATC-WAYWQWQTSA-N 1 3 279.428 1.556 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001571486359 1170451033 /nfs/dbraw/zinc/45/10/33/1170451033.db2.gz CWJQBNFILUAHDI-KGLIPLIRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001661496010 1172398656 /nfs/dbraw/zinc/39/86/56/1172398656.db2.gz LDUVLLOOUHODKU-MGPQQGTHSA-N 1 3 267.417 1.530 10 30 CDEEHO C=C(C)CC[NH2+]C/C=C\CNC(=O)Cc1nc[nH]c1C ZINC001669162780 1173513944 /nfs/dbraw/zinc/51/39/44/1173513944.db2.gz RBKZUNNAJQRYLE-PLNGDYQASA-N 1 3 276.384 1.489 10 30 CDEEHO C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001673491243 1173864062 /nfs/dbraw/zinc/86/40/62/1173864062.db2.gz HDBJZRAFWWAQBG-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001673491243 1173864066 /nfs/dbraw/zinc/86/40/66/1173864066.db2.gz HDBJZRAFWWAQBG-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001690435396 1175469884 /nfs/dbraw/zinc/46/98/84/1175469884.db2.gz BJCLOJHUIQWSCZ-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001690737887 1175559406 /nfs/dbraw/zinc/55/94/06/1175559406.db2.gz AFQHHUULNFGNSC-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC=C)CC2)CC1 ZINC001699676863 1176566693 /nfs/dbraw/zinc/56/66/93/1176566693.db2.gz XDRNXTYPGCRKOF-UHFFFAOYSA-N 1 3 289.423 1.146 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001699734445 1176596426 /nfs/dbraw/zinc/59/64/26/1176596426.db2.gz NKYXZUYPNZSIOS-HUUCEWRRSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001699859850 1176658947 /nfs/dbraw/zinc/65/89/47/1176658947.db2.gz UVEZNHOYPPZETG-INIZCTEOSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001700317822 1176845744 /nfs/dbraw/zinc/84/57/44/1176845744.db2.gz MLJIJHXFZUWIIM-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCC)C[C@@H]2C1 ZINC001700618363 1177038881 /nfs/dbraw/zinc/03/88/81/1177038881.db2.gz YEMQPSVWLVHWRR-XHSDSOJGSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCC)C[C@@H]2C1 ZINC001700618363 1177038890 /nfs/dbraw/zinc/03/88/90/1177038890.db2.gz YEMQPSVWLVHWRR-XHSDSOJGSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001700928887 1177197664 /nfs/dbraw/zinc/19/76/64/1177197664.db2.gz DFSDWUGKAKGSGK-STQMWFEESA-N 1 3 276.384 1.321 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001713215888 1178438756 /nfs/dbraw/zinc/43/87/56/1178438756.db2.gz ULXZMYGVIMHXNI-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001713215888 1178438762 /nfs/dbraw/zinc/43/87/62/1178438762.db2.gz ULXZMYGVIMHXNI-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCCC[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001713541858 1178634947 /nfs/dbraw/zinc/63/49/47/1178634947.db2.gz OCMRPLOHSCPGDS-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001713541858 1178634950 /nfs/dbraw/zinc/63/49/50/1178634950.db2.gz OCMRPLOHSCPGDS-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001714155944 1178993959 /nfs/dbraw/zinc/99/39/59/1178993959.db2.gz LLVKPSCCZIRDNM-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001714155944 1178993963 /nfs/dbraw/zinc/99/39/63/1178993963.db2.gz LLVKPSCCZIRDNM-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001715386134 1179652782 /nfs/dbraw/zinc/65/27/82/1179652782.db2.gz MEDKJEZYOVRJPC-ZBFHGGJFSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001715466782 1179674641 /nfs/dbraw/zinc/67/46/41/1179674641.db2.gz OBBMNDWYNVSDEN-UONOGXRCSA-N 1 3 288.395 1.192 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716354494 1180165413 /nfs/dbraw/zinc/16/54/13/1180165413.db2.gz FNKXGEHJHJZOQC-SREVYHEPSA-N 1 3 299.418 1.647 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001716769713 1180406811 /nfs/dbraw/zinc/40/68/11/1180406811.db2.gz FEHCHHSNZASNIH-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001716796866 1180418216 /nfs/dbraw/zinc/41/82/16/1180418216.db2.gz KEUVKODAEHOJFW-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001717673169 1180787394 /nfs/dbraw/zinc/78/73/94/1180787394.db2.gz RTROVAZPMPBWKU-UONOGXRCSA-N 1 3 267.417 1.224 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001717732719 1180816109 /nfs/dbraw/zinc/81/61/09/1180816109.db2.gz RMYXHTVDQDQOMA-INIZCTEOSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001724962302 1181809177 /nfs/dbraw/zinc/80/91/77/1181809177.db2.gz VEVDBWMTMKJOFZ-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001725039578 1181831253 /nfs/dbraw/zinc/83/12/53/1181831253.db2.gz DFTBXTWEEVTCJP-HRCADAONSA-N 1 3 293.455 1.826 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001725039578 1181831256 /nfs/dbraw/zinc/83/12/56/1181831256.db2.gz DFTBXTWEEVTCJP-HRCADAONSA-N 1 3 293.455 1.826 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001725567341 1182052833 /nfs/dbraw/zinc/05/28/33/1182052833.db2.gz MKKZHUDODMZNLA-DGCLKSJQSA-N 1 3 262.357 1.107 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001732134588 1182793998 /nfs/dbraw/zinc/79/39/98/1182793998.db2.gz PCQYWACDFHQTOV-CQSZACIVSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001733549377 1183463449 /nfs/dbraw/zinc/46/34/49/1183463449.db2.gz JNROYHCARHEORX-CABCVRRESA-N 1 3 293.455 1.731 10 30 CDEEHO CC#CC[NH2+]C1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001734597497 1183840043 /nfs/dbraw/zinc/84/00/43/1183840043.db2.gz RBPVUWNBPXLLLD-UHFFFAOYSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000876763458 829061880 /nfs/dbraw/zinc/06/18/80/829061880.db2.gz OGRWMEQTYRUNHA-QWHCGFSZSA-N 1 3 287.835 1.550 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000876763458 829061892 /nfs/dbraw/zinc/06/18/92/829061892.db2.gz OGRWMEQTYRUNHA-QWHCGFSZSA-N 1 3 287.835 1.550 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC(=O)OC(C)(C)C ZINC000178569693 833083577 /nfs/dbraw/zinc/08/35/77/833083577.db2.gz YCGVBGZGBWYFLL-LBPRGKRZSA-N 1 3 298.431 1.107 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000876768110 830777079 /nfs/dbraw/zinc/77/70/79/830777079.db2.gz DMJQRLUJBKLDET-KGLIPLIRSA-N 1 3 299.846 1.933 10 30 CDEEHO C#CC[C@H](Cc1ccccc1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000819304063 832491442 /nfs/dbraw/zinc/49/14/42/832491442.db2.gz BUJSVDMLRAIKPT-AEFFLSMTSA-N 1 3 286.419 1.666 10 30 CDEEHO C#CC[C@H](Cc1ccccc1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000819304063 832491445 /nfs/dbraw/zinc/49/14/45/832491445.db2.gz BUJSVDMLRAIKPT-AEFFLSMTSA-N 1 3 286.419 1.666 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000876781062 833883334 /nfs/dbraw/zinc/88/33/34/833883334.db2.gz ITDUYFBMHPEBOP-SCVCMEIPSA-N 1 3 271.792 1.198 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000876781062 833883335 /nfs/dbraw/zinc/88/33/35/833883335.db2.gz ITDUYFBMHPEBOP-SCVCMEIPSA-N 1 3 271.792 1.198 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000877121599 834203907 /nfs/dbraw/zinc/20/39/07/834203907.db2.gz WVOWTVKEEOEOHH-LLVKDONJSA-N 1 3 295.770 1.341 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000876779577 834658307 /nfs/dbraw/zinc/65/83/07/834658307.db2.gz JOIXMAODSROXBW-ZDUSSCGKSA-N 1 3 294.786 1.200 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000876869095 834741481 /nfs/dbraw/zinc/74/14/81/834741481.db2.gz PYMOTIJOOYYHID-XQQFMLRXSA-N 1 3 285.819 1.304 10 30 CDEEHO C#CCN(CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001567433144 1168758096 /nfs/dbraw/zinc/75/80/96/1168758096.db2.gz UKHSQLFNCKQKFY-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001267058387 896652643 /nfs/dbraw/zinc/65/26/43/896652643.db2.gz KSCNVXCOFPKYKK-OAHLLOKOSA-N 1 3 293.455 1.426 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001272625138 914210069 /nfs/dbraw/zinc/21/00/69/914210069.db2.gz SDMRSMJFWSVUBF-JKSUJKDBSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267568297 898392206 /nfs/dbraw/zinc/39/22/06/898392206.db2.gz IJCOOBCAOILQRI-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267568297 898392226 /nfs/dbraw/zinc/39/22/26/898392226.db2.gz IJCOOBCAOILQRI-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001267986622 900199919 /nfs/dbraw/zinc/19/99/19/900199919.db2.gz NPLPKJPLFTXIQN-AWEZNQCLSA-N 1 3 281.444 1.779 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCC1 ZINC001268039858 900716895 /nfs/dbraw/zinc/71/68/95/900716895.db2.gz ZIEJDNMMKMFDFN-UHFFFAOYSA-N 1 3 291.439 1.513 10 30 CDEEHO C=CCC[NH+]1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481632313 901529044 /nfs/dbraw/zinc/52/90/44/901529044.db2.gz BKOGTNSMNCQATO-AWEZNQCLSA-N 1 3 267.417 1.197 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001268226542 901602111 /nfs/dbraw/zinc/60/21/11/901602111.db2.gz BGHCGNMEVXIPOJ-CQSZACIVSA-N 1 3 267.417 1.080 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001268248019 901664222 /nfs/dbraw/zinc/66/42/22/901664222.db2.gz ZMCRRHCCBZYJNB-UHFFFAOYSA-N 1 3 267.417 1.295 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268254894 901679578 /nfs/dbraw/zinc/67/95/78/901679578.db2.gz GMEHUDHSRUGGGD-LSDHHAIUSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001482131891 902684337 /nfs/dbraw/zinc/68/43/37/902684337.db2.gz YUBJZMAIPZFIOK-AWEZNQCLSA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001270829847 905111737 /nfs/dbraw/zinc/11/17/37/905111737.db2.gz NKRPSMKEVMHSAT-NVXWUHKLSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273566536 921133566 /nfs/dbraw/zinc/13/35/66/921133566.db2.gz VZSSWGLKISHIRH-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001271600930 906537433 /nfs/dbraw/zinc/53/74/33/906537433.db2.gz VHZSURILQIILIZ-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1CCC)C(C)C ZINC001271846422 906890921 /nfs/dbraw/zinc/89/09/21/906890921.db2.gz PXTCJRVFJDKAHJ-GJZGRUSLSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C ZINC001272048777 907724099 /nfs/dbraw/zinc/72/40/99/907724099.db2.gz KPINQTFYWXZVOH-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C ZINC001272048777 907724104 /nfs/dbraw/zinc/72/41/04/907724104.db2.gz KPINQTFYWXZVOH-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCCC[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001482602848 907855499 /nfs/dbraw/zinc/85/54/99/907855499.db2.gz JAPCRSNCRZNHIS-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCCC[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001482602848 907855514 /nfs/dbraw/zinc/85/55/14/907855514.db2.gz JAPCRSNCRZNHIS-UHFFFAOYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001483952489 915233755 /nfs/dbraw/zinc/23/37/55/915233755.db2.gz XHGOXSJOAGVMMH-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001568459523 1169298661 /nfs/dbraw/zinc/29/86/61/1169298661.db2.gz RHKBXMCGHWLCNU-AWEZNQCLSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001280207363 942423401 /nfs/dbraw/zinc/42/34/01/942423401.db2.gz JVOKXPDDROKBPC-ZDUSSCGKSA-N 1 3 276.384 1.357 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001283079282 942817998 /nfs/dbraw/zinc/81/79/98/942817998.db2.gz BIHKRVDKEFWSOZ-RBSFLKMASA-N 1 3 281.444 1.633 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](CC)N(C)C ZINC001283552139 942930737 /nfs/dbraw/zinc/93/07/37/942930737.db2.gz BPHFDTPWZGHGBD-KBPBESRZSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001277865090 943892247 /nfs/dbraw/zinc/89/22/47/943892247.db2.gz CWCNAYPFYQNSLS-AWEZNQCLSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001265359168 944358813 /nfs/dbraw/zinc/35/88/13/944358813.db2.gz YSFBZQDVFFYVCH-CABCVRRESA-N 1 3 279.428 1.531 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001266011437 944628007 /nfs/dbraw/zinc/62/80/07/944628007.db2.gz WDVBHJLUHIURJL-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@H+](C)CCCNC(=O)CN1CCC(C)CC1 ZINC001479803995 971429550 /nfs/dbraw/zinc/42/95/50/971429550.db2.gz MWAVBDKGRGMAAJ-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CC[N@@H+](C)CCCNC(=O)CN1CCC(C)CC1 ZINC001479803995 971429555 /nfs/dbraw/zinc/42/95/55/971429555.db2.gz MWAVBDKGRGMAAJ-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001480088484 971568834 /nfs/dbraw/zinc/56/88/34/971568834.db2.gz IXDQZGHWUFMQDZ-LSDHHAIUSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001480088484 971568841 /nfs/dbraw/zinc/56/88/41/971568841.db2.gz IXDQZGHWUFMQDZ-LSDHHAIUSA-N 1 3 281.444 1.683 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]C(C)C)CC1 ZINC001480814110 971891149 /nfs/dbraw/zinc/89/11/49/971891149.db2.gz TZBRTAKTGWQAMP-CQSZACIVSA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001324832853 953598587 /nfs/dbraw/zinc/59/85/87/953598587.db2.gz JZGQGHVSKFFENN-INIZCTEOSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001327258641 954796510 /nfs/dbraw/zinc/79/65/10/954796510.db2.gz SXOQJZXXROFDEC-OAHLLOKOSA-N 1 3 281.444 1.376 10 30 CDEEHO C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001327258641 954796522 /nfs/dbraw/zinc/79/65/22/954796522.db2.gz SXOQJZXXROFDEC-OAHLLOKOSA-N 1 3 281.444 1.376 10 30 CDEEHO CC#CC[N@H+](C)CCCNC(=O)CN(C)CC(C)(C)C ZINC001316851541 957071365 /nfs/dbraw/zinc/07/13/65/957071365.db2.gz YZTHOAKIDPSCKS-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO CC#CC[N@@H+](C)CCCNC(=O)CN(C)CC(C)(C)C ZINC001316851541 957071378 /nfs/dbraw/zinc/07/13/78/957071378.db2.gz YZTHOAKIDPSCKS-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317142783 957302636 /nfs/dbraw/zinc/30/26/36/957302636.db2.gz GRFTYMMYDTXVIW-HZPDHXFCSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317142783 957302644 /nfs/dbraw/zinc/30/26/44/957302644.db2.gz GRFTYMMYDTXVIW-HZPDHXFCSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001332064729 957420600 /nfs/dbraw/zinc/42/06/00/957420600.db2.gz OUARPGXQRLKTTM-ZIAGYGMSSA-N 1 3 267.417 1.482 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001318482647 958125587 /nfs/dbraw/zinc/12/55/87/958125587.db2.gz LADDPZAFGSGICF-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001318482647 958125596 /nfs/dbraw/zinc/12/55/96/958125596.db2.gz LADDPZAFGSGICF-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001318525144 958154901 /nfs/dbraw/zinc/15/49/01/958154901.db2.gz URCAOLCUMRNDCC-CABCVRRESA-N 1 3 279.428 1.367 10 30 CDEEHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001318956808 958320641 /nfs/dbraw/zinc/32/06/41/958320641.db2.gz SCVVJKZOALXWMR-HDJSIYSDSA-N 1 3 277.412 1.121 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001320016699 958869103 /nfs/dbraw/zinc/86/91/03/958869103.db2.gz UWWHBCXGSVXJEI-UHFFFAOYSA-N 1 3 265.401 1.191 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320890805 959443240 /nfs/dbraw/zinc/44/32/40/959443240.db2.gz ACRSHCOFUPVUNG-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCNCCN(CC)C(=O)CCC[NH+]1CCCCC1 ZINC001320922322 959456931 /nfs/dbraw/zinc/45/69/31/959456931.db2.gz ZHJOTDFJIFFYPO-UHFFFAOYSA-N 1 3 293.455 1.714 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001321532440 959838248 /nfs/dbraw/zinc/83/82/48/959838248.db2.gz GXIPHHKIPIDNPV-ZIAGYGMSSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(Cl)CNC[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001495278747 972464199 /nfs/dbraw/zinc/46/41/99/972464199.db2.gz XCZJGXZDWNNOJV-CQSZACIVSA-N 1 3 287.835 1.565 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001324066118 961149309 /nfs/dbraw/zinc/14/93/09/961149309.db2.gz BXVVUAJLPOIJLL-CABCVRRESA-N 1 3 291.439 1.463 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001419522480 961789877 /nfs/dbraw/zinc/78/98/77/961789877.db2.gz VKIKVCRYLVDCHU-TXEJJXNPSA-N 1 3 273.808 1.318 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001419522480 961789885 /nfs/dbraw/zinc/78/98/85/961789885.db2.gz VKIKVCRYLVDCHU-TXEJJXNPSA-N 1 3 273.808 1.318 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001436952329 962522294 /nfs/dbraw/zinc/52/22/94/962522294.db2.gz INIZVBJLXRKLFB-MJBXVCDLSA-N 1 3 299.846 1.850 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001436952329 962522308 /nfs/dbraw/zinc/52/23/08/962522308.db2.gz INIZVBJLXRKLFB-MJBXVCDLSA-N 1 3 299.846 1.850 10 30 CDEEHO CC#CCN1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569479333 1169891317 /nfs/dbraw/zinc/89/13/17/1169891317.db2.gz UNHYJCXFEOVJFE-KRWDZBQOSA-N 1 3 291.439 1.276 10 30 CDEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001448611214 967171865 /nfs/dbraw/zinc/17/18/65/967171865.db2.gz BVUSNNZHPMXPEL-KBPBESRZSA-N 1 3 299.846 1.517 10 30 CDEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448611214 967171870 /nfs/dbraw/zinc/17/18/70/967171870.db2.gz BVUSNNZHPMXPEL-KBPBESRZSA-N 1 3 299.846 1.517 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCC1 ZINC001569612472 1169937177 /nfs/dbraw/zinc/93/71/77/1169937177.db2.gz FAZYOZMCKGCXGR-HZPDHXFCSA-N 1 3 293.455 1.470 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001357993666 969676989 /nfs/dbraw/zinc/67/69/89/969676989.db2.gz PZTFHAAVOHFKFP-HZSPNIEDSA-N 1 3 265.401 1.223 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001357993666 969676991 /nfs/dbraw/zinc/67/69/91/969676991.db2.gz PZTFHAAVOHFKFP-HZSPNIEDSA-N 1 3 265.401 1.223 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001522169935 970407032 /nfs/dbraw/zinc/40/70/32/970407032.db2.gz CGQAGTWLEXNUOR-RYUDHWBXSA-N 1 3 251.374 1.071 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497414046 973336790 /nfs/dbraw/zinc/33/67/90/973336790.db2.gz FCPZFBGIRDZXHX-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497414046 973336800 /nfs/dbraw/zinc/33/68/00/973336800.db2.gz FCPZFBGIRDZXHX-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCNC1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001499462038 974258157 /nfs/dbraw/zinc/25/81/57/974258157.db2.gz WXSIKAVJNFVQER-KBPBESRZSA-N 1 3 277.412 1.121 10 30 CDEEHO C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001499997395 974349809 /nfs/dbraw/zinc/34/98/09/974349809.db2.gz 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ZINC001571324502 1170365240 /nfs/dbraw/zinc/36/52/40/1170365240.db2.gz HNQQAQCCMONSBL-CHWSQXEVSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571324502 1170365246 /nfs/dbraw/zinc/36/52/46/1170365246.db2.gz HNQQAQCCMONSBL-CHWSQXEVSA-N 1 3 287.835 1.565 10 30 CDEEHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](N)CCCCC#N ZINC000594437668 342905801 /nfs/dbraw/zinc/90/58/01/342905801.db2.gz KKQYZAZONYWSMF-QWHCGFSZSA-N 1 3 268.405 1.244 10 30 CDEEHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](N)CCCCC#N ZINC000594437668 342905802 /nfs/dbraw/zinc/90/58/02/342905802.db2.gz KKQYZAZONYWSMF-QWHCGFSZSA-N 1 3 268.405 1.244 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594439593 342906708 /nfs/dbraw/zinc/90/67/08/342906708.db2.gz XPCRMCKMVNNCES-CABCVRRESA-N 1 3 292.427 1.484 10 30 CDEEHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594441301 342907435 /nfs/dbraw/zinc/90/74/35/342907435.db2.gz QPNGPHKHUIYCNY-KGLIPLIRSA-N 1 3 280.416 1.244 10 30 CDEEHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594441301 342907436 /nfs/dbraw/zinc/90/74/36/342907436.db2.gz QPNGPHKHUIYCNY-KGLIPLIRSA-N 1 3 280.416 1.244 10 30 CDEEHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594441738 342907805 /nfs/dbraw/zinc/90/78/05/342907805.db2.gz VXNUPQCCGJQRLR-ZIAGYGMSSA-N 1 3 280.416 1.340 10 30 CDEEHO C[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)CN1CCCCC1 ZINC000600722218 342244863 /nfs/dbraw/zinc/24/48/63/342244863.db2.gz ZNFYRMLLODPDHJ-CABCVRRESA-N 1 3 279.428 1.753 10 30 CDEEHO C[C@H](CNC[C@@H](O)CC1(C#N)CC1)C[NH+]1CCCCC1 ZINC000600722218 342244864 /nfs/dbraw/zinc/24/48/64/342244864.db2.gz ZNFYRMLLODPDHJ-CABCVRRESA-N 1 3 279.428 1.753 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000594425037 342903878 /nfs/dbraw/zinc/90/38/78/342903878.db2.gz JHDYOBYMRXXNDG-ZIAGYGMSSA-N 1 3 280.416 1.421 10 30 CDEEHO C[C@@H](O)C[NH+]1CCC(CN(C)C[C@H](C#N)CCC#N)CC1 ZINC000069849174 376740620 /nfs/dbraw/zinc/74/06/20/376740620.db2.gz 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/nfs/dbraw/zinc/09/22/11/175092211.db2.gz IAGQXUPZKHKJEY-UHFFFAOYSA-N 1 3 264.394 1.669 10 30 CDEEHO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1sccc1C#CCN ZINC000043684125 175092645 /nfs/dbraw/zinc/09/26/45/175092645.db2.gz XYCDUAUTKOWBNX-WCQYABFASA-N 1 3 291.420 1.144 10 30 CDEEHO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1sccc1C#CCN ZINC000043684125 175092646 /nfs/dbraw/zinc/09/26/46/175092646.db2.gz XYCDUAUTKOWBNX-WCQYABFASA-N 1 3 291.420 1.144 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001667668575 1173309884 /nfs/dbraw/zinc/30/98/84/1173309884.db2.gz AMVODLCJPYAFCM-UHFFFAOYSA-N 1 3 281.444 1.829 10 30 CDEEHO CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672531406 1173782511 /nfs/dbraw/zinc/78/25/11/1173782511.db2.gz UQWSKVOLXQADNL-HUUCEWRRSA-N 1 3 277.412 1.027 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CCNC(=O)Cc1nc[nH]c1C ZINC001267153557 1159140498 /nfs/dbraw/zinc/14/04/98/1159140498.db2.gz LJUHERUUMYFOKF-GFCCVEGCSA-N 1 3 278.400 1.711 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001482969156 1160652803 /nfs/dbraw/zinc/65/28/03/1160652803.db2.gz BDFCPAKOADVPHE-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001725167179 1181901373 /nfs/dbraw/zinc/90/13/73/1181901373.db2.gz UZFYSAYSISSBLZ-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001725167179 1181901378 /nfs/dbraw/zinc/90/13/78/1181901378.db2.gz UZFYSAYSISSBLZ-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO CC(C)N1CCN(Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000049609280 519682645 /nfs/dbraw/zinc/68/26/45/519682645.db2.gz QZFGGNBQQDMMPY-UHFFFAOYSA-N 1 3 271.408 1.523 10 30 CDEEHO CC[N@@H+](Cc1cccc(C#CCN)c1)C[C@H]1CCCO1 ZINC000049609563 521338767 /nfs/dbraw/zinc/33/87/67/521338767.db2.gz ANFVNNDQKRIHTM-QGZVFWFLSA-N 1 3 272.392 1.998 10 30 CDEEHO CC[N@H+](Cc1cccc(C#CCN)c1)C[C@H]1CCCO1 ZINC000049609563 521338773 /nfs/dbraw/zinc/33/87/73/521338773.db2.gz ANFVNNDQKRIHTM-QGZVFWFLSA-N 1 3 272.392 1.998 10 30 CDEEHO C[C@H](CC[NH+](C)C)NC(=O)c1cc(C#CCN)ccc1F ZINC000049561930 524160341 /nfs/dbraw/zinc/16/03/41/524160341.db2.gz UPMXNSOOBWYJSK-GFCCVEGCSA-N 1 3 291.370 1.206 10 30 CDEEHO C[C@@H]1CC[N@H+](CCOc2cccc(C#CCN)c2)C1 ZINC000049609471 524508268 /nfs/dbraw/zinc/50/82/68/524508268.db2.gz WGSXUYSGOHVARZ-CQSZACIVSA-N 1 3 258.365 1.717 10 30 CDEEHO C[C@@H]1CC[N@@H+](CCOc2cccc(C#CCN)c2)C1 ZINC000049609471 524508273 /nfs/dbraw/zinc/50/82/73/524508273.db2.gz WGSXUYSGOHVARZ-CQSZACIVSA-N 1 3 258.365 1.717 10 30 CDEEHO Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1C#N ZINC000925836741 617866286 /nfs/dbraw/zinc/86/62/86/617866286.db2.gz CLEJIFDKIUAVNJ-UHOFOFEASA-N 1 3 273.380 1.709 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000877266317 618419412 /nfs/dbraw/zinc/41/94/12/618419412.db2.gz QKGVQUGBWSUDEZ-WOPDTQHZSA-N 1 3 271.792 1.057 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000901105177 623887605 /nfs/dbraw/zinc/88/76/05/623887605.db2.gz CMJHRJPQYVNRAP-UHFFFAOYSA-N 1 3 293.455 1.971 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000907764723 627822822 /nfs/dbraw/zinc/82/28/22/627822822.db2.gz ZZMBJAAVLGMLRI-HNNXBMFYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001266942167 1159002423 /nfs/dbraw/zinc/00/24/23/1159002423.db2.gz LCSFCVDGTDTEPT-OLZOCXBDSA-N 1 3 253.390 1.141 10 30 CDEEHO C=C(C)C[NH2+]CCN(C)C(=O)CN(C)C1CCC1 ZINC001691348383 1159030148 /nfs/dbraw/zinc/03/01/48/1159030148.db2.gz ZBXHQZBKXFONLE-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001567971215 1169101008 /nfs/dbraw/zinc/10/10/08/1169101008.db2.gz ATMJSSRVDXLNCU-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO CC#CC[NH2+]CCC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001666263572 1173121833 /nfs/dbraw/zinc/12/18/33/1173121833.db2.gz YRHFHHBXNWBTQS-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001698991726 1176022737 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C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCC)C[C@H]2C1 ZINC001700618361 1177039036 /nfs/dbraw/zinc/03/90/36/1177039036.db2.gz YEMQPSVWLVHWRR-HRCADAONSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCC)C[C@H]2C1 ZINC001700618361 1177039045 /nfs/dbraw/zinc/03/90/45/1177039045.db2.gz YEMQPSVWLVHWRR-HRCADAONSA-N 1 3 291.439 1.178 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001713039373 1178325076 /nfs/dbraw/zinc/32/50/76/1178325076.db2.gz SUZAJCYBYKXFTH-UHFFFAOYSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001713039373 1178325084 /nfs/dbraw/zinc/32/50/84/1178325084.db2.gz SUZAJCYBYKXFTH-UHFFFAOYSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001714106429 1178975988 /nfs/dbraw/zinc/97/59/88/1178975988.db2.gz LZAGKPUEWOEEOZ-XJKSGUPXSA-N 1 3 299.434 1.869 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001714384785 1179116579 /nfs/dbraw/zinc/11/65/79/1179116579.db2.gz IRSMQTWFCDSHEH-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001714563368 1179219125 /nfs/dbraw/zinc/21/91/25/1179219125.db2.gz GDFMFFQIOPXMBC-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001714563368 1179219131 /nfs/dbraw/zinc/21/91/31/1179219131.db2.gz GDFMFFQIOPXMBC-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001717499790 1180711029 /nfs/dbraw/zinc/71/10/29/1180711029.db2.gz LQFNJNUIDWSEBK-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001722906446 1181490615 /nfs/dbraw/zinc/49/06/15/1181490615.db2.gz OOVWNUHXTSZAKU-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001722906446 1181490618 /nfs/dbraw/zinc/49/06/18/1181490618.db2.gz OOVWNUHXTSZAKU-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCC)CC1 ZINC001725129914 1181876451 /nfs/dbraw/zinc/87/64/51/1181876451.db2.gz PNVDHYSUGHCXFU-CABCVRRESA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001725630474 1182078261 /nfs/dbraw/zinc/07/82/61/1182078261.db2.gz FXHKQMBXRABCDN-GJZGRUSLSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCCCCC)[C@@H]1C ZINC001725686884 1182097335 /nfs/dbraw/zinc/09/73/35/1182097335.db2.gz WKKGLOCORDLZPD-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001732188124 1182842017 /nfs/dbraw/zinc/84/20/17/1182842017.db2.gz XJJZKIVRWIWZIV-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001733446290 1183435104 /nfs/dbraw/zinc/43/51/04/1183435104.db2.gz UFUTUJWYTKPQRP-HNNXBMFYSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001734039295 1183630179 /nfs/dbraw/zinc/63/01/79/1183630179.db2.gz KAYXXOBCKQDSSV-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001734039295 1183630181 /nfs/dbraw/zinc/63/01/81/1183630181.db2.gz KAYXXOBCKQDSSV-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000876533239 837574395 /nfs/dbraw/zinc/57/43/95/837574395.db2.gz GMQZGRORWOEKGE-MIMYLULJSA-N 1 3 259.781 1.042 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000876538780 838725432 /nfs/dbraw/zinc/72/54/32/838725432.db2.gz WSBHGJVQVXMGIV-ZDUSSCGKSA-N 1 3 285.819 1.447 10 30 CDEEHO C#C[C@@H](NC1CC[NH+](CC)CC1)C1CCOCC1 ZINC000827559366 838794767 /nfs/dbraw/zinc/79/47/67/838794767.db2.gz DVXYPTKDPQYADW-OAHLLOKOSA-N 1 3 250.386 1.489 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000876764169 839411023 /nfs/dbraw/zinc/41/10/23/839411023.db2.gz KOPYLUSETVTCLZ-AXFHLTTASA-N 1 3 259.781 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000876764169 839411057 /nfs/dbraw/zinc/41/10/57/839411057.db2.gz KOPYLUSETVTCLZ-AXFHLTTASA-N 1 3 259.781 1.055 10 30 CDEEHO CC[NH+]=C(NCC1CC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262012737 839937010 /nfs/dbraw/zinc/93/70/10/839937010.db2.gz XCBLSNDLTYNKPZ-TZMCWYRMSA-N 1 3 266.433 1.680 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000876707878 840126891 /nfs/dbraw/zinc/12/68/91/840126891.db2.gz DGMZUFVKBRKDTL-WDEREUQCSA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000876707878 840126895 /nfs/dbraw/zinc/12/68/95/840126895.db2.gz DGMZUFVKBRKDTL-WDEREUQCSA-N 1 3 259.781 1.057 10 30 CDEEHO CC[N@@H+]1CC[C@@H](N(C)CCOCCC#N)[C@@H](C)C1 ZINC000815071042 840554668 /nfs/dbraw/zinc/55/46/68/840554668.db2.gz DAFBHADAPMDKAZ-UONOGXRCSA-N 1 3 253.390 1.579 10 30 CDEEHO CC[N@H+]1CC[C@@H](N(C)CCOCCC#N)[C@@H](C)C1 ZINC000815071042 840554687 /nfs/dbraw/zinc/55/46/87/840554687.db2.gz DAFBHADAPMDKAZ-UONOGXRCSA-N 1 3 253.390 1.579 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000876938710 840613331 /nfs/dbraw/zinc/61/33/31/840613331.db2.gz OJYUILQKDIMYJS-GFCCVEGCSA-N 1 3 267.760 1.231 10 30 CDEEHO C#CCN1CCC(C(=O)NC(C)(C)C[N@@H+](C)CCC)CC1 ZINC000856283229 840858689 /nfs/dbraw/zinc/85/86/89/840858689.db2.gz RMRDDOKIUHSFJV-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC(C(=O)NC(C)(C)C[N@H+](C)CCC)CC1 ZINC000856283229 840858691 /nfs/dbraw/zinc/85/86/91/840858691.db2.gz RMRDDOKIUHSFJV-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138989 841024510 /nfs/dbraw/zinc/02/45/10/841024510.db2.gz UZMSBIQWVZYBQN-XQQFMLRXSA-N 1 3 279.771 1.910 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000876883158 841033244 /nfs/dbraw/zinc/03/32/44/841033244.db2.gz ARCHPQNMPVZLAH-NEPJUHHUSA-N 1 3 273.808 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000876781063 841438973 /nfs/dbraw/zinc/43/89/73/841438973.db2.gz ITDUYFBMHPEBOP-UMNHJUIQSA-N 1 3 271.792 1.198 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000876781063 841438997 /nfs/dbraw/zinc/43/89/97/841438997.db2.gz ITDUYFBMHPEBOP-UMNHJUIQSA-N 1 3 271.792 1.198 10 30 CDEEHO CN(CCNC(=[NH2+])N1CCSCC1)C1CCCCC1 ZINC000261976107 841767379 /nfs/dbraw/zinc/76/73/79/841767379.db2.gz FZESAXJOZHXEOT-UHFFFAOYSA-N 1 3 284.473 1.614 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000876952139 842073092 /nfs/dbraw/zinc/07/30/92/842073092.db2.gz XMPFEVCDIJXEFC-LBPRGKRZSA-N 1 3 273.808 1.401 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973485 842714697 /nfs/dbraw/zinc/71/46/97/842714697.db2.gz XUQIZPRZSTZTHI-CRWXNKLISA-N 1 3 278.400 1.044 10 30 CDEEHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001565900252 1168198548 /nfs/dbraw/zinc/19/85/48/1168198548.db2.gz FFCYBJRNROYZQD-RRFJBIMHSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001566528035 1168321252 /nfs/dbraw/zinc/32/12/52/1168321252.db2.gz HAVCZYPKJXOUCW-ZBFHGGJFSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566895776 1168458987 /nfs/dbraw/zinc/45/89/87/1168458987.db2.gz OYWVTJUBQKCXCM-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001567281577 1168657939 /nfs/dbraw/zinc/65/79/39/1168657939.db2.gz QAJHZHMZSLFYRV-ZDUSSCGKSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001567281577 1168657944 /nfs/dbraw/zinc/65/79/44/1168657944.db2.gz QAJHZHMZSLFYRV-ZDUSSCGKSA-N 1 3 253.390 1.093 10 30 CDEEHO C=C(C)C[N@H+](CCC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001493318029 897830913 /nfs/dbraw/zinc/83/09/13/897830913.db2.gz KDLIJGMQCHNHCJ-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)C[N@@H+](CCC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001493318029 897830919 /nfs/dbraw/zinc/83/09/19/897830919.db2.gz KDLIJGMQCHNHCJ-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCCC[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001267468751 898069441 /nfs/dbraw/zinc/06/94/41/898069441.db2.gz BXMPFGVYLVIESH-UHFFFAOYSA-N 1 3 253.390 1.096 10 30 CDEEHO C#CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267491887 898147461 /nfs/dbraw/zinc/14/74/61/898147461.db2.gz PMSFZXZVBVYDHR-CABCVRRESA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CCCF)CC1 ZINC001481880087 902258604 /nfs/dbraw/zinc/25/86/04/902258604.db2.gz BSOAUYQXBRSQIV-HNNXBMFYSA-N 1 3 297.418 1.176 10 30 CDEEHO C#CC[NH2+]CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001481999379 902455330 /nfs/dbraw/zinc/45/53/30/902455330.db2.gz MARSDUXRTGTRRW-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001269331440 903700240 /nfs/dbraw/zinc/70/02/40/903700240.db2.gz KHHYUCHXENCRFT-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001269449059 903818075 /nfs/dbraw/zinc/81/80/75/903818075.db2.gz SOPIIMLMUJNCBO-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCCC1 ZINC001270757263 905025223 /nfs/dbraw/zinc/02/52/23/905025223.db2.gz MXZWEJBALRWZGI-HNNXBMFYSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001272048776 907724238 /nfs/dbraw/zinc/72/42/38/907724238.db2.gz KPINQTFYWXZVOH-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001272048776 907724243 /nfs/dbraw/zinc/72/42/43/907724243.db2.gz KPINQTFYWXZVOH-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[NH2+]C/C=C\CNC(=O)CN(C)CC(C)(C)C ZINC001483061187 909207313 /nfs/dbraw/zinc/20/73/13/909207313.db2.gz SRRIVCYCJDSJCS-FPLPWBNLSA-N 1 3 267.417 1.412 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001568153478 1169149701 /nfs/dbraw/zinc/14/97/01/1169149701.db2.gz VWECCMMJPLPYDS-CQSZACIVSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001485386482 916939069 /nfs/dbraw/zinc/93/90/69/916939069.db2.gz AEAUXEMRGZUGCZ-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CC[NH2+][C@H](C)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001485961502 920629224 /nfs/dbraw/zinc/62/92/24/920629224.db2.gz SJMRDBLQIBWNJH-CQSZACIVSA-N 1 3 287.407 1.432 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001486127933 920759886 /nfs/dbraw/zinc/75/98/86/920759886.db2.gz HZOXOYOOYGBMGE-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001649445255 1169255913 /nfs/dbraw/zinc/25/59/13/1169255913.db2.gz JPHMCEAJHWNWIJ-CABCVRRESA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001568367174 1169261590 /nfs/dbraw/zinc/26/15/90/1169261590.db2.gz FNWQSLASNJTZAQ-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001491251732 936884058 /nfs/dbraw/zinc/88/40/58/936884058.db2.gz ASEMKLPJQRZZMY-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001568468613 1169301799 /nfs/dbraw/zinc/30/17/99/1169301799.db2.gz LANJZQIDSBOXSM-GJZGRUSLSA-N 1 3 283.460 1.879 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001274785890 931576708 /nfs/dbraw/zinc/57/67/08/931576708.db2.gz FMIRKEUGPZTGSA-KGLIPLIRSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001275114313 931668736 /nfs/dbraw/zinc/66/87/36/931668736.db2.gz IBBMAAMOPYRPAJ-HNNXBMFYSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001275114313 931668737 /nfs/dbraw/zinc/66/87/37/931668737.db2.gz IBBMAAMOPYRPAJ-HNNXBMFYSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001121922823 937890826 /nfs/dbraw/zinc/89/08/26/937890826.db2.gz PUJJCBPTCMYJSF-KKUMJFAQSA-N 1 3 281.444 1.859 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001121922823 937890827 /nfs/dbraw/zinc/89/08/27/937890827.db2.gz PUJJCBPTCMYJSF-KKUMJFAQSA-N 1 3 281.444 1.859 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]C(C)C)CC1 ZINC001568714552 1169442988 /nfs/dbraw/zinc/44/29/88/1169442988.db2.gz VOEVMPOWJPNGPG-CQSZACIVSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001282397329 942704350 /nfs/dbraw/zinc/70/43/50/942704350.db2.gz DCLJZTTUGCEWSI-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001282397329 942704353 /nfs/dbraw/zinc/70/43/53/942704353.db2.gz DCLJZTTUGCEWSI-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001282478464 942720140 /nfs/dbraw/zinc/72/01/40/942720140.db2.gz RBIJTYIZXQNHRV-QWHCGFSZSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001282478464 942720142 /nfs/dbraw/zinc/72/01/42/942720142.db2.gz RBIJTYIZXQNHRV-QWHCGFSZSA-N 1 3 255.406 1.339 10 30 CDEEHO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001284001539 943044080 /nfs/dbraw/zinc/04/40/80/943044080.db2.gz BPLAGCZNEMNDQZ-LSDHHAIUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001284132857 943085016 /nfs/dbraw/zinc/08/50/16/943085016.db2.gz SGBFGHBPPRFGAV-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001277954173 944207488 /nfs/dbraw/zinc/20/74/88/944207488.db2.gz NHQHPIMJJDRPEK-HOTGVXAUSA-N 1 3 293.455 1.709 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001480024618 971543085 /nfs/dbraw/zinc/54/30/85/971543085.db2.gz LWRUOYZMZZNGHZ-HZPDHXFCSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001326420131 954371301 /nfs/dbraw/zinc/37/13/01/954371301.db2.gz YZUYNUNRQKVDGL-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001327455280 954885683 /nfs/dbraw/zinc/88/56/83/954885683.db2.gz LLJKGEYDQYHTGU-OAHLLOKOSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001491765703 955408980 /nfs/dbraw/zinc/40/89/80/955408980.db2.gz VJGKLRDVHJYEBD-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001491856129 955469257 /nfs/dbraw/zinc/46/92/57/955469257.db2.gz JXBXBSFMHMARQF-OAHLLOKOSA-N 1 3 279.428 1.487 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001491813106 955477098 /nfs/dbraw/zinc/47/70/98/955477098.db2.gz ZCZVAYNDZRCRKG-CYBMUJFWSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)N(C)C)C1 ZINC001330052809 956254749 /nfs/dbraw/zinc/25/47/49/956254749.db2.gz CZGPEKBCBOKTEG-ZFWWWQNUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001330229073 956339449 /nfs/dbraw/zinc/33/94/49/956339449.db2.gz BLHLDSAQKFHCDA-LSDHHAIUSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001330229073 956339458 /nfs/dbraw/zinc/33/94/58/956339458.db2.gz BLHLDSAQKFHCDA-LSDHHAIUSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001331323676 956968876 /nfs/dbraw/zinc/96/88/76/956968876.db2.gz GHJFTXLMHKUVFY-HUUCEWRRSA-N 1 3 281.444 1.585 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001317069167 957243423 /nfs/dbraw/zinc/24/34/23/957243423.db2.gz GNFDXHZVGXPWIX-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[NH2+]C[C@](C)(NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001495278588 972463233 /nfs/dbraw/zinc/46/32/33/972463233.db2.gz WWOTUUCWDXOCRY-PBHICJAKSA-N 1 3 293.455 1.779 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001322243178 960149534 /nfs/dbraw/zinc/14/95/34/960149534.db2.gz CMQVHDATJUCONY-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001322243178 960149541 /nfs/dbraw/zinc/14/95/41/960149541.db2.gz CMQVHDATJUCONY-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[NH2+]CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001322693073 960298182 /nfs/dbraw/zinc/29/81/82/960298182.db2.gz BLIWXWWISVTJAY-MRXNPFEDSA-N 1 3 297.418 1.270 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001324225199 961247909 /nfs/dbraw/zinc/24/79/09/961247909.db2.gz IZMBZGCSLXLFKG-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(CC(C)C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001350067533 966569911 /nfs/dbraw/zinc/56/99/11/966569911.db2.gz RNRHUIKJKXFFGU-HNNXBMFYSA-N 1 3 283.460 1.977 10 30 CDEEHO C=C(CC(C)C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001350067533 966569915 /nfs/dbraw/zinc/56/99/15/966569915.db2.gz RNRHUIKJKXFFGU-HNNXBMFYSA-N 1 3 283.460 1.977 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001502147762 974706255 /nfs/dbraw/zinc/70/62/55/974706255.db2.gz PMWHTPSMQMPFOI-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001502147762 974706261 /nfs/dbraw/zinc/70/62/61/974706261.db2.gz PMWHTPSMQMPFOI-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001502798757 974786208 /nfs/dbraw/zinc/78/62/08/974786208.db2.gz OBFGMRZAZMNKJV-UHFFFAOYSA-N 1 3 262.357 1.109 10 30 CDEEHO CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001505537737 974902092 /nfs/dbraw/zinc/90/20/92/974902092.db2.gz KILOHRRGNQAOKB-GPANFISMSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001492879798 976387498 /nfs/dbraw/zinc/38/74/98/976387498.db2.gz WXPMTEUPWFTCFR-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCC[N@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001492879798 976387507 /nfs/dbraw/zinc/38/75/07/976387507.db2.gz WXPMTEUPWFTCFR-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001394367189 978142658 /nfs/dbraw/zinc/14/26/58/978142658.db2.gz TXUAZNHAQOSDTR-JOCQHMNTSA-N 1 3 299.846 1.708 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001674154540 1173920088 /nfs/dbraw/zinc/92/00/88/1173920088.db2.gz LZQYKLIVEUKVBK-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001674154540 1173920100 /nfs/dbraw/zinc/92/01/00/1173920100.db2.gz LZQYKLIVEUKVBK-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CC[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001674348018 1173934332 /nfs/dbraw/zinc/93/43/32/1173934332.db2.gz NEBJKBWOKZDBOA-UHFFFAOYSA-N 1 3 288.395 1.146 10 30 CDEEHO C#CC[N@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001674348018 1173934343 /nfs/dbraw/zinc/93/43/43/1173934343.db2.gz NEBJKBWOKZDBOA-UHFFFAOYSA-N 1 3 288.395 1.146 10 30 CDEEHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594437184 342905744 /nfs/dbraw/zinc/90/57/44/342905744.db2.gz IZOMTOICZFVRQH-HUUCEWRRSA-N 1 3 294.443 1.634 10 30 CDEEHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594437184 342905745 /nfs/dbraw/zinc/90/57/45/342905745.db2.gz IZOMTOICZFVRQH-HUUCEWRRSA-N 1 3 294.443 1.634 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000594456887 342911662 /nfs/dbraw/zinc/91/16/62/342911662.db2.gz UTKQHQBPNXINPL-OAHLLOKOSA-N 1 3 292.427 1.388 10 30 CDEEHO CC1(C)CC(NC[C@@H](O)CC2(C#N)CC2)CC(C)(C)[NH2+]1 ZINC000600738670 342246659 /nfs/dbraw/zinc/24/66/59/342246659.db2.gz JMRLOVAMUDGWDQ-ZDUSSCGKSA-N 1 3 279.428 1.940 10 30 CDEEHO CC1(C)CC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC(C)(C)N1 ZINC000600738670 342246660 /nfs/dbraw/zinc/24/66/60/342246660.db2.gz JMRLOVAMUDGWDQ-ZDUSSCGKSA-N 1 3 279.428 1.940 10 30 CDEEHO N#Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000600768889 349879221 /nfs/dbraw/zinc/87/92/21/349879221.db2.gz HOSVVIAPLNOAJY-XEZPLFJOSA-N 1 3 289.379 1.870 10 30 CDEEHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166184 198188658 /nfs/dbraw/zinc/18/86/58/198188658.db2.gz PAJCQONYXSTJCS-IAGOWNOFSA-N 1 3 285.391 1.619 10 30 CDEEHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166184 198188660 /nfs/dbraw/zinc/18/86/60/198188660.db2.gz PAJCQONYXSTJCS-IAGOWNOFSA-N 1 3 285.391 1.619 10 30 CDEEHO C=CCNC(=O)[C@@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759609 364820784 /nfs/dbraw/zinc/82/07/84/364820784.db2.gz DNPWIYZUDXVGMC-CYBMUJFWSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CC[C@@]1(C(=O)N(C)CCN(C)C2CC2)CCC[NH2+]1 ZINC000662803078 413521427 /nfs/dbraw/zinc/52/14/27/413521427.db2.gz VDVZMHYBOSDYNH-HNNXBMFYSA-N 1 3 265.401 1.237 10 30 CDEEHO C=C(C)CC[NH2+][C@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001665800120 1173063845 /nfs/dbraw/zinc/06/38/45/1173063845.db2.gz YXFVVJFBIMOKRD-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO COC[C@@H](C)N(C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688962 175095425 /nfs/dbraw/zinc/09/54/25/175095425.db2.gz CMBCKIVXIAYYHR-LLVKDONJSA-N 1 3 252.383 1.525 10 30 CDEEHO CN(Cc1ccc(F)c(C#CCN)c1)C[C@H]1CC[N@H+](C)C1 ZINC000071190483 176066708 /nfs/dbraw/zinc/06/67/08/176066708.db2.gz QRMQYBRRIRPGFV-HNNXBMFYSA-N 1 3 289.398 1.519 10 30 CDEEHO CN(Cc1ccc(F)c(C#CCN)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190483 176066709 /nfs/dbraw/zinc/06/67/09/176066709.db2.gz QRMQYBRRIRPGFV-HNNXBMFYSA-N 1 3 289.398 1.519 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001669411770 1173547879 /nfs/dbraw/zinc/54/78/79/1173547879.db2.gz VNUXRXLKHOINEO-HUUCEWRRSA-N 1 3 279.428 1.367 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001671570155 1173689856 /nfs/dbraw/zinc/68/98/56/1173689856.db2.gz QXNYCUKTKODYBK-MRXNPFEDSA-N 1 3 293.455 1.615 10 30 CDEEHO C[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262739714 330029118 /nfs/dbraw/zinc/02/91/18/330029118.db2.gz DJAHCOHYINNEOP-TZMCWYRMSA-N 1 3 278.444 1.967 10 30 CDEEHO C[NH+]=C(NC1CCC1)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000262756791 330029633 /nfs/dbraw/zinc/02/96/33/330029633.db2.gz BRKGHBOUZSHAFI-OAHLLOKOSA-N 1 3 278.444 1.968 10 30 CDEEHO C=C(CN(C)C)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000764568824 575921200 /nfs/dbraw/zinc/92/12/00/575921200.db2.gz CKAZVASLMLPPIJ-JSGCOSHPSA-N 1 3 267.417 1.293 10 30 CDEEHO C=C(CN(C)C)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000764568824 575921203 /nfs/dbraw/zinc/92/12/03/575921203.db2.gz CKAZVASLMLPPIJ-JSGCOSHPSA-N 1 3 267.417 1.293 10 30 CDEEHO N#Cc1ccc(CCN[C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925714887 617826921 /nfs/dbraw/zinc/82/69/21/617826921.db2.gz YHVWKUNKHOAOTM-LSDHHAIUSA-N 1 3 255.365 1.960 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000912285306 629893784 /nfs/dbraw/zinc/89/37/84/629893784.db2.gz VSZXZNHRDVGYEL-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001266942165 1159003151 /nfs/dbraw/zinc/00/31/51/1159003151.db2.gz LCSFCVDGTDTEPT-CHWSQXEVSA-N 1 3 253.390 1.141 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267032708 1159094386 /nfs/dbraw/zinc/09/43/86/1159094386.db2.gz LGTICAIGIPUOMZ-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001483355514 1160911647 /nfs/dbraw/zinc/91/16/47/1160911647.db2.gz DHKFSVFZLAJIBR-ZDUSSCGKSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001567847241 1169014141 /nfs/dbraw/zinc/01/41/41/1169014141.db2.gz ZLWPOKPEOGBCKK-OAHLLOKOSA-N 1 3 281.444 1.587 10 30 CDEEHO C#CCC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)N(C)C ZINC001568749643 1169460588 /nfs/dbraw/zinc/46/05/88/1169460588.db2.gz MNCIYXSAKUSVFQ-AWEZNQCLSA-N 1 3 267.417 1.034 10 30 CDEEHO C#CCN1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001570185538 1170104480 /nfs/dbraw/zinc/10/44/80/1170104480.db2.gz NGBGCAGQBIMSBY-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCN1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001570185538 1170104486 /nfs/dbraw/zinc/10/44/86/1170104486.db2.gz NGBGCAGQBIMSBY-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001656650477 1171857283 /nfs/dbraw/zinc/85/72/83/1171857283.db2.gz GEMBHVXFASQJAJ-FVQBIDKESA-N 1 3 291.439 1.177 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001662219234 1172509670 /nfs/dbraw/zinc/50/96/70/1172509670.db2.gz DOJKNFMBYHYTNH-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001664818245 1172917040 /nfs/dbraw/zinc/91/70/40/1172917040.db2.gz RBMHKBRORHNMPD-UONOGXRCSA-N 1 3 267.417 1.293 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001664818245 1172917048 /nfs/dbraw/zinc/91/70/48/1172917048.db2.gz RBMHKBRORHNMPD-UONOGXRCSA-N 1 3 267.417 1.293 10 30 CDEEHO C#CC[NH+]1CCC(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001666379393 1173130744 /nfs/dbraw/zinc/13/07/44/1173130744.db2.gz MEUVFOKQJKJHAU-HNNXBMFYSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001690540558 1175490914 /nfs/dbraw/zinc/49/09/14/1175490914.db2.gz SOECFBCJMXYFTP-QQFBHYJXSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001690737876 1175559795 /nfs/dbraw/zinc/55/97/95/1175559795.db2.gz ACHXEQIBBBBOBL-CABCVRRESA-N 1 3 279.428 1.342 10 30 CDEEHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001691917104 1175652313 /nfs/dbraw/zinc/65/23/13/1175652313.db2.gz FTNZXCYAUYAYIZ-HRCADAONSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001698920957 1175984641 /nfs/dbraw/zinc/98/46/41/1175984641.db2.gz QQJIWHBJPSJFHF-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001699474065 1176433696 /nfs/dbraw/zinc/43/36/96/1176433696.db2.gz IGNUXLQQAVTYKL-ZDUSSCGKSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001699474065 1176433699 /nfs/dbraw/zinc/43/36/99/1176433699.db2.gz IGNUXLQQAVTYKL-ZDUSSCGKSA-N 1 3 255.406 1.339 10 30 CDEEHO C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001700843051 1177162510 /nfs/dbraw/zinc/16/25/10/1177162510.db2.gz BNYMXEFMNFRWGV-UONOGXRCSA-N 1 3 277.412 1.073 10 30 CDEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CCCC)CC1 ZINC001707424283 1178039154 /nfs/dbraw/zinc/03/91/54/1178039154.db2.gz VETVIKUSDHDIOV-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CCCC)CC1 ZINC001707424283 1178039165 /nfs/dbraw/zinc/03/91/65/1178039165.db2.gz VETVIKUSDHDIOV-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001707442184 1178047188 /nfs/dbraw/zinc/04/71/88/1178047188.db2.gz YECRJFJGSDGPAA-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001713530342 1178630105 /nfs/dbraw/zinc/63/01/05/1178630105.db2.gz CVCZEWWLEIFZTE-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001713530342 1178630108 /nfs/dbraw/zinc/63/01/08/1178630108.db2.gz CVCZEWWLEIFZTE-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCCN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001713704625 1178716233 /nfs/dbraw/zinc/71/62/33/1178716233.db2.gz ZFCMZJIYDIMKLX-SJORKVTESA-N 1 3 299.418 1.409 10 30 CDEEHO C#CCCN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001713704625 1178716238 /nfs/dbraw/zinc/71/62/38/1178716238.db2.gz ZFCMZJIYDIMKLX-SJORKVTESA-N 1 3 299.418 1.409 10 30 CDEEHO C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001713761846 1178742062 /nfs/dbraw/zinc/74/20/62/1178742062.db2.gz UFJIQGHUAUMYAD-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001713761846 1178742068 /nfs/dbraw/zinc/74/20/68/1178742068.db2.gz UFJIQGHUAUMYAD-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C1 ZINC001714016749 1178928551 /nfs/dbraw/zinc/92/85/51/1178928551.db2.gz ZLNVAPKXJFTEOE-BETUJISGSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001714384786 1179116319 /nfs/dbraw/zinc/11/63/19/1179116319.db2.gz IRSMQTWFCDSHEH-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001715008027 1179506752 /nfs/dbraw/zinc/50/67/52/1179506752.db2.gz DRPFVAAUBIRVNP-HOCLYGCPSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001715798102 1179825608 /nfs/dbraw/zinc/82/56/08/1179825608.db2.gz JMZXGNXLCRDORL-AFNCTOJWSA-N 1 3 265.401 1.309 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001717887730 1180913651 /nfs/dbraw/zinc/91/36/51/1180913651.db2.gz TWGFAZLYULPQDM-LSDHHAIUSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCC[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001724014639 1181630221 /nfs/dbraw/zinc/63/02/21/1181630221.db2.gz QZVCJDVNHFMWSG-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCN1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001724659949 1181717997 /nfs/dbraw/zinc/71/79/97/1181717997.db2.gz VORMIFODPAUCNT-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001724754329 1181739602 /nfs/dbraw/zinc/73/96/02/1181739602.db2.gz FBWSWFYNHFGGIO-WKILWMFISA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001732071422 1182751690 /nfs/dbraw/zinc/75/16/90/1182751690.db2.gz MUPHFPGOWZCMCY-AWEZNQCLSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001732071422 1182751694 /nfs/dbraw/zinc/75/16/94/1182751694.db2.gz MUPHFPGOWZCMCY-AWEZNQCLSA-N 1 3 279.428 1.437 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000876728845 1165902475 /nfs/dbraw/zinc/90/24/75/1165902475.db2.gz XSTAQHRAATVRFE-RYUDHWBXSA-N 1 3 273.808 1.257 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000876728845 1165902483 /nfs/dbraw/zinc/90/24/83/1165902483.db2.gz XSTAQHRAATVRFE-RYUDHWBXSA-N 1 3 273.808 1.257 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC)CC1 ZINC001037120392 844016499 /nfs/dbraw/zinc/01/64/99/844016499.db2.gz ILXSBXAKOSOOBU-HZPDHXFCSA-N 1 3 291.439 1.226 10 30 CDEEHO N#CCCC[C@@H](N)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000818551915 843075821 /nfs/dbraw/zinc/07/58/21/843075821.db2.gz UDMQULPAZVLFIP-CQSZACIVSA-N 1 3 286.379 1.446 10 30 CDEEHO C=CCNC(=O)[C@H](C)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000714448271 845129969 /nfs/dbraw/zinc/12/99/69/845129969.db2.gz RYJSUUKROYRLCA-LBPRGKRZSA-N 1 3 267.417 1.374 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000876849036 845673005 /nfs/dbraw/zinc/67/30/05/845673005.db2.gz VWOMRCCHSAQJHW-ZDUSSCGKSA-N 1 3 287.835 1.824 10 30 CDEEHO C=CC[NH+]1CCC(NC[C@H](O)c2ccc(F)cn2)CC1 ZINC000819022699 845711691 /nfs/dbraw/zinc/71/16/91/845711691.db2.gz VTZIHPLAYRMJHW-HNNXBMFYSA-N 1 3 279.359 1.494 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000876723216 845882807 /nfs/dbraw/zinc/88/28/07/845882807.db2.gz PZDWRYWXLQYCGW-ZYHUDNBSSA-N 1 3 273.808 1.304 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000876723216 845882810 /nfs/dbraw/zinc/88/28/10/845882810.db2.gz PZDWRYWXLQYCGW-ZYHUDNBSSA-N 1 3 273.808 1.304 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001566774799 1168416841 /nfs/dbraw/zinc/41/68/41/1168416841.db2.gz XETGBJKKDTXROE-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266596867 895500337 /nfs/dbraw/zinc/50/03/37/895500337.db2.gz QIXXXBUEOBFLQB-AWEZNQCLSA-N 1 3 267.417 1.339 10 30 CDEEHO CC#CCN[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266984266 896497546 /nfs/dbraw/zinc/49/75/46/896497546.db2.gz WMACMNHDVVDWIU-CQSZACIVSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267174393 897007607 /nfs/dbraw/zinc/00/76/07/897007607.db2.gz XTQDJNAZVVAXPB-DZGCQCFKSA-N 1 3 279.428 1.483 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CCCC)CC1 ZINC001267831363 899832657 /nfs/dbraw/zinc/83/26/57/899832657.db2.gz QBJRBIXQODKTAP-INIZCTEOSA-N 1 3 293.455 1.616 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001567711614 1168931486 /nfs/dbraw/zinc/93/14/86/1168931486.db2.gz CZBVWSQQCUNBAL-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001567711614 1168931491 /nfs/dbraw/zinc/93/14/91/1168931491.db2.gz CZBVWSQQCUNBAL-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001268266659 901703815 /nfs/dbraw/zinc/70/38/15/901703815.db2.gz DOYXSRBLWVOYLR-HOTGVXAUSA-N 1 3 291.439 1.273 10 30 CDEEHO CC#CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001268266659 901703824 /nfs/dbraw/zinc/70/38/24/901703824.db2.gz DOYXSRBLWVOYLR-HOTGVXAUSA-N 1 3 291.439 1.273 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001268270820 901717937 /nfs/dbraw/zinc/71/79/37/901717937.db2.gz QHBDZWUDROOPFN-HUUCEWRRSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001268270820 901717926 /nfs/dbraw/zinc/71/79/26/901717926.db2.gz QHBDZWUDROOPFN-HUUCEWRRSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001271100790 905648251 /nfs/dbraw/zinc/64/82/51/905648251.db2.gz IQSHHSHREWZGNG-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)N1CCCC1 ZINC001271284916 906225306 /nfs/dbraw/zinc/22/53/06/906225306.db2.gz AUWJVQFLLCKPHY-OAHLLOKOSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001484401817 915727514 /nfs/dbraw/zinc/72/75/14/915727514.db2.gz SZNLCPCUVUGNHI-KRWDZBQOSA-N 1 3 299.418 1.190 10 30 CDEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001484401817 915727527 /nfs/dbraw/zinc/72/75/27/915727527.db2.gz SZNLCPCUVUGNHI-KRWDZBQOSA-N 1 3 299.418 1.190 10 30 CDEEHO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001275827978 932072736 /nfs/dbraw/zinc/07/27/36/932072736.db2.gz QETCCMBLZHJWQT-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001275827978 932072743 /nfs/dbraw/zinc/07/27/43/932072743.db2.gz QETCCMBLZHJWQT-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO CC#CC[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001276237040 932672804 /nfs/dbraw/zinc/67/28/04/932672804.db2.gz DVYJVKGRGGNWFY-HNNXBMFYSA-N 1 3 293.455 1.759 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001277258996 942252513 /nfs/dbraw/zinc/25/25/13/942252513.db2.gz GLKUGUBFHGFGPS-STQMWFEESA-N 1 3 265.401 1.284 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317160858 942400328 /nfs/dbraw/zinc/40/03/28/942400328.db2.gz CDXITKRFCFFAOV-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCC1 ZINC001280505192 942454580 /nfs/dbraw/zinc/45/45/80/942454580.db2.gz GNBCBMMZMLHWGT-UHFFFAOYSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001282337108 942691270 /nfs/dbraw/zinc/69/12/70/942691270.db2.gz GZDKKLBLEGSHOQ-ZDUSSCGKSA-N 1 3 267.417 1.034 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001282928933 942780797 /nfs/dbraw/zinc/78/07/97/942780797.db2.gz MVKYRZNIDDODBW-HUUCEWRRSA-N 1 3 297.443 1.108 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001316623485 942806768 /nfs/dbraw/zinc/80/67/68/942806768.db2.gz HIOKBIZJTNBYKR-KFWWJZLASA-N 1 3 279.428 1.389 10 30 CDEEHO CC#CC[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001283309940 942873970 /nfs/dbraw/zinc/87/39/70/942873970.db2.gz CDHPDXFCSDESHS-UHFFFAOYSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CC[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001283309940 942873973 /nfs/dbraw/zinc/87/39/73/942873973.db2.gz CDHPDXFCSDESHS-UHFFFAOYSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN1CC[C@@]2(NC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001284071021 943068787 /nfs/dbraw/zinc/06/87/87/943068787.db2.gz LBZRWACLHFZVOL-WBVHZDCISA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN1CC[C@@]2(NC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001284071021 943068796 /nfs/dbraw/zinc/06/87/96/943068796.db2.gz LBZRWACLHFZVOL-WBVHZDCISA-N 1 3 291.439 1.465 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C ZINC001284639527 943230813 /nfs/dbraw/zinc/23/08/13/943230813.db2.gz AQFZSCBYWWDHDU-QWHCGFSZSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001264437569 944136728 /nfs/dbraw/zinc/13/67/28/944136728.db2.gz CWLQOARNPVOPLT-KKUMJFAQSA-N 1 3 281.444 1.633 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001265782419 944506632 /nfs/dbraw/zinc/50/66/32/944506632.db2.gz XQWCSCHICCHNJN-CABCVRRESA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001265931133 944579049 /nfs/dbraw/zinc/57/90/49/944579049.db2.gz YOVCHAGAMKDOQF-KBPBESRZSA-N 1 3 265.401 1.095 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479833346 971441810 /nfs/dbraw/zinc/44/18/10/971441810.db2.gz XVYCBQWSCFUOKI-HZPDHXFCSA-N 1 3 293.455 1.709 10 30 CDEEHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001479986231 971526057 /nfs/dbraw/zinc/52/60/57/971526057.db2.gz GOZCMMXPBXETSV-GJZGRUSLSA-N 1 3 293.455 1.729 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480254454 971649894 /nfs/dbraw/zinc/64/98/94/971649894.db2.gz AYMINJZZJYSFRZ-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480254454 971649898 /nfs/dbraw/zinc/64/98/98/971649898.db2.gz AYMINJZZJYSFRZ-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001480711390 971846420 /nfs/dbraw/zinc/84/64/20/971846420.db2.gz ZGNXKNBLZXGXPN-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001317127592 957290120 /nfs/dbraw/zinc/29/01/20/957290120.db2.gz KDLJIUVBNDBRCB-KFWWJZLASA-N 1 3 281.444 1.918 10 30 CDEEHO C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001333043894 958039818 /nfs/dbraw/zinc/03/98/18/958039818.db2.gz YGFJIESPOCKGMV-NRXISQOPSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001319114160 958380106 /nfs/dbraw/zinc/38/01/06/958380106.db2.gz UCCJVHFGPUCCJG-CYBMUJFWSA-N 1 3 262.357 1.109 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001344081523 964228754 /nfs/dbraw/zinc/22/87/54/964228754.db2.gz MAQVFTMIUYQPTM-HUUCEWRRSA-N 1 3 297.443 1.239 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001441362952 964475742 /nfs/dbraw/zinc/47/57/42/964475742.db2.gz HHEHMLVVRSUTDJ-UBHSHLNASA-N 1 3 299.846 1.565 10 30 CDEEHO C[C@H](CCC#N)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460943880 969569603 /nfs/dbraw/zinc/56/96/03/969569603.db2.gz MYALDBPVINFURK-OAHLLOKOSA-N 1 3 279.428 1.991 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)CCC ZINC001496915886 973143790 /nfs/dbraw/zinc/14/37/90/973143790.db2.gz NKWMUOKEFBMVPZ-GJZGRUSLSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001497991064 973601170 /nfs/dbraw/zinc/60/11/70/973601170.db2.gz SPKCOTWEGGPPNR-CQSZACIVSA-N 1 3 287.407 1.479 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001498610850 973999458 /nfs/dbraw/zinc/99/94/58/973999458.db2.gz LBIHTGNPAUPAOL-CQSZACIVSA-N 1 3 269.433 1.587 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001499943974 974342178 /nfs/dbraw/zinc/34/21/78/974342178.db2.gz JHUQBCHYXGDPLD-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)CN1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500253614 974410544 /nfs/dbraw/zinc/41/05/44/974410544.db2.gz IRPBEANKSXWBEH-OAHLLOKOSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001501579150 974602708 /nfs/dbraw/zinc/60/27/08/974602708.db2.gz YQQJKNZCFNBVTK-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001501617848 974609068 /nfs/dbraw/zinc/60/90/68/974609068.db2.gz GAIQSGMDRVFNMV-HZPDHXFCSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(C)CN1C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001506752021 975216926 /nfs/dbraw/zinc/21/69/26/975216926.db2.gz NBMWMCUJONPHGE-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CN1C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001506752021 975216934 /nfs/dbraw/zinc/21/69/34/975216934.db2.gz NBMWMCUJONPHGE-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+]CCF)CC1 ZINC001506951554 975272041 /nfs/dbraw/zinc/27/20/41/975272041.db2.gz UNMAQKGGVDCCFD-CQSZACIVSA-N 1 3 297.418 1.176 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001507089380 975332147 /nfs/dbraw/zinc/33/21/47/975332147.db2.gz MUGFTXNNIKYGCV-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001507454361 975474474 /nfs/dbraw/zinc/47/44/74/975474474.db2.gz VMWQXAKSYFUQIM-CQSZACIVSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[NH+]1CC([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001570863543 1170305997 /nfs/dbraw/zinc/30/59/97/1170305997.db2.gz HBMPFHFGDTWRGC-CYBMUJFWSA-N 1 3 267.417 1.339 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000594435649 342899238 /nfs/dbraw/zinc/89/92/38/342899238.db2.gz IICHVQDRTMTVMD-ILXRZTDVSA-N 1 3 292.427 1.246 10 30 CDEEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594441674 342907552 /nfs/dbraw/zinc/90/75/52/342907552.db2.gz UMANQRIGPZVIHA-ZIAGYGMSSA-N 1 3 280.416 1.388 10 30 CDEEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594441674 342907553 /nfs/dbraw/zinc/90/75/53/342907553.db2.gz UMANQRIGPZVIHA-ZIAGYGMSSA-N 1 3 280.416 1.388 10 30 CDEEHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)CCCCC#N)CC[C@@H]21 ZINC000594443122 342908206 /nfs/dbraw/zinc/90/82/06/342908206.db2.gz LNJVSNAHANEZBM-ILXRZTDVSA-N 1 3 292.427 1.340 10 30 CDEEHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)CCCCC#N)CC[C@@H]21 ZINC000594443122 342908208 /nfs/dbraw/zinc/90/82/08/342908208.db2.gz LNJVSNAHANEZBM-ILXRZTDVSA-N 1 3 292.427 1.340 10 30 CDEEHO C=C(C)C[NH+]1CCC(NC(=O)[C@H](CCC)N(C)C)CC1 ZINC000153115981 370435854 /nfs/dbraw/zinc/43/58/54/370435854.db2.gz JRPJIQCDVJAGEU-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662861549 1172605692 /nfs/dbraw/zinc/60/56/92/1172605692.db2.gz BJBVGIACICYWAN-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662861549 1172605695 /nfs/dbraw/zinc/60/56/95/1172605695.db2.gz BJBVGIACICYWAN-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN1CCC(NC(=O)c2cc(C(C)(C)N)no2)CC1 ZINC000662720774 413380221 /nfs/dbraw/zinc/38/02/21/413380221.db2.gz CYSOFCITVJREAL-UHFFFAOYSA-N 1 3 292.383 1.249 10 30 CDEEHO C=CC[NH+]1CCC(NC(=O)c2cc(C(C)(C)N)no2)CC1 ZINC000662720774 413380231 /nfs/dbraw/zinc/38/02/31/413380231.db2.gz CYSOFCITVJREAL-UHFFFAOYSA-N 1 3 292.383 1.249 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001665681402 1173035995 /nfs/dbraw/zinc/03/59/95/1173035995.db2.gz FEKUOFSVYGENQE-HUUCEWRRSA-N 1 3 281.444 1.681 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001665681402 1173036001 /nfs/dbraw/zinc/03/60/01/1173036001.db2.gz FEKUOFSVYGENQE-HUUCEWRRSA-N 1 3 281.444 1.681 10 30 CDEEHO CC(C)(C)N1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689017 175095392 /nfs/dbraw/zinc/09/53/92/175095392.db2.gz YHBNZGWIBOLZNP-UHFFFAOYSA-N 1 3 291.464 1.974 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001666115353 1173112184 /nfs/dbraw/zinc/11/21/84/1173112184.db2.gz NEXOLBMLZORCAP-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001666318294 1173125669 /nfs/dbraw/zinc/12/56/69/1173125669.db2.gz BGWDCYWDEFGUOR-KKUMJFAQSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001666558346 1173152342 /nfs/dbraw/zinc/15/23/42/1173152342.db2.gz NHYZAJUMABQVPQ-LSDHHAIUSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001672990736 1173815853 /nfs/dbraw/zinc/81/58/53/1173815853.db2.gz HQFHFPCGRWHBRV-JYJNAYRXSA-N 1 3 293.455 1.615 10 30 CDEEHO CC#CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001673982221 1173903941 /nfs/dbraw/zinc/90/39/41/1173903941.db2.gz QBJOZUBYQLRQLW-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171907753 329081949 /nfs/dbraw/zinc/08/19/49/329081949.db2.gz XDPXEHJPNPFVIX-OAHLLOKOSA-N 1 3 292.427 1.126 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171907753 329081951 /nfs/dbraw/zinc/08/19/51/329081951.db2.gz XDPXEHJPNPFVIX-OAHLLOKOSA-N 1 3 292.427 1.126 10 30 CDEEHO C[C@@H]1CN(C(=[NH2+])NCC(C)(C)N2CCC[C@H](C)C2)CCO1 ZINC000262496799 330017864 /nfs/dbraw/zinc/01/78/64/330017864.db2.gz WUVVWQUHHFLSHN-UONOGXRCSA-N 1 3 296.459 1.532 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001699738356 1176596877 /nfs/dbraw/zinc/59/68/77/1176596877.db2.gz KYSAMSFVNGONTP-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482969155 1160652854 /nfs/dbraw/zinc/65/28/54/1160652854.db2.gz BDFCPAKOADVPHE-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO CC[N@H+](Cc1ccc(OC)c(C#CCN)c1)C1CC1 ZINC000049608877 521323111 /nfs/dbraw/zinc/32/31/11/521323111.db2.gz YBAIXBLGGSSSHV-UHFFFAOYSA-N 1 3 258.365 1.990 10 30 CDEEHO CC[N@@H+](Cc1ccc(OC)c(C#CCN)c1)C1CC1 ZINC000049608877 521323115 /nfs/dbraw/zinc/32/31/15/521323115.db2.gz YBAIXBLGGSSSHV-UHFFFAOYSA-N 1 3 258.365 1.990 10 30 CDEEHO COC[C@@H](C)[N@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609579 522216417 /nfs/dbraw/zinc/21/64/17/522216417.db2.gz AOLUQJQLTCEGNY-CQSZACIVSA-N 1 3 276.380 1.342 10 30 CDEEHO COC[C@@H](C)[N@@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609579 522216430 /nfs/dbraw/zinc/21/64/30/522216430.db2.gz AOLUQJQLTCEGNY-CQSZACIVSA-N 1 3 276.380 1.342 10 30 CDEEHO COc1ccc(CN2CCC[C@@H](CO)C2)cc1C#CC[NH3+] ZINC000049608327 524028257 /nfs/dbraw/zinc/02/82/57/524028257.db2.gz UZKHLRNPXLFQAQ-OAHLLOKOSA-N 1 3 288.391 1.210 10 30 CDEEHO Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1C#N ZINC000925836739 617865793 /nfs/dbraw/zinc/86/57/93/617865793.db2.gz CLEJIFDKIUAVNJ-DAXOMENPSA-N 1 3 273.380 1.709 10 30 CDEEHO C=CCN1CC[C@@H](N2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000903791094 626088932 /nfs/dbraw/zinc/08/89/32/626088932.db2.gz MGXTZXZKOFKPPU-CQSZACIVSA-N 1 3 279.428 1.470 10 30 CDEEHO C[NH+](C)C1CCN(CCNCc2csc(C#N)c2)CC1 ZINC000921817328 633316863 /nfs/dbraw/zinc/31/68/63/633316863.db2.gz SHKCHSNZXQRBGH-UHFFFAOYSA-N 1 3 292.452 1.735 10 30 CDEEHO C=C(C[NH+](C)C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC001636931699 1166709739 /nfs/dbraw/zinc/70/97/39/1166709739.db2.gz IRHJLWVTAQFIFS-UHFFFAOYSA-N 1 3 279.428 1.581 10 30 CDEEHO CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001662971051 1172622007 /nfs/dbraw/zinc/62/20/07/1172622007.db2.gz POGXFGNDFHYNRH-ZIAGYGMSSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001690435395 1175470024 /nfs/dbraw/zinc/47/00/24/1175470024.db2.gz BJCLOJHUIQWSCZ-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001690737879 1175560538 /nfs/dbraw/zinc/56/05/38/1175560538.db2.gz ACHXEQIBBBBOBL-LSDHHAIUSA-N 1 3 279.428 1.342 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CC2CC2)CC1 ZINC001698773588 1175926760 /nfs/dbraw/zinc/92/67/60/1175926760.db2.gz ADMAALWOJSBKOB-AWEZNQCLSA-N 1 3 291.439 1.084 10 30 CDEEHO C=CCN1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001700888964 1177179123 /nfs/dbraw/zinc/17/91/23/1177179123.db2.gz RUYJZPASHCZLDB-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001700888964 1177179126 /nfs/dbraw/zinc/17/91/26/1177179126.db2.gz RUYJZPASHCZLDB-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001713220421 1178437917 /nfs/dbraw/zinc/43/79/17/1178437917.db2.gz KVUDCCLRXVTUEK-CVEARBPZSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001713220421 1178437922 /nfs/dbraw/zinc/43/79/22/1178437922.db2.gz KVUDCCLRXVTUEK-CVEARBPZSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001713558391 1178645579 /nfs/dbraw/zinc/64/55/79/1178645579.db2.gz ILGPMZQICZISET-CVEARBPZSA-N 1 3 291.439 1.770 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001713558391 1178645583 /nfs/dbraw/zinc/64/55/83/1178645583.db2.gz ILGPMZQICZISET-CVEARBPZSA-N 1 3 291.439 1.770 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001713751525 1178737449 /nfs/dbraw/zinc/73/74/49/1178737449.db2.gz WYZQILQVLGCMGM-HOTGVXAUSA-N 1 3 295.471 1.929 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001713751525 1178737454 /nfs/dbraw/zinc/73/74/54/1178737454.db2.gz WYZQILQVLGCMGM-HOTGVXAUSA-N 1 3 295.471 1.929 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001714157569 1178994977 /nfs/dbraw/zinc/99/49/77/1178994977.db2.gz SZZAPJGXUMSVMG-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001714157569 1178994980 /nfs/dbraw/zinc/99/49/80/1178994980.db2.gz SZZAPJGXUMSVMG-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001715572858 1179721349 /nfs/dbraw/zinc/72/13/49/1179721349.db2.gz VCLOXSXRPRQTLD-GJZGRUSLSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001716668122 1180353958 /nfs/dbraw/zinc/35/39/58/1180353958.db2.gz OAYGPPRWPROOKJ-GJZGRUSLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716668122 1180353966 /nfs/dbraw/zinc/35/39/66/1180353966.db2.gz OAYGPPRWPROOKJ-GJZGRUSLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCCN1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001717585576 1180750557 /nfs/dbraw/zinc/75/05/57/1180750557.db2.gz UBTWBJURTZDTIJ-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)CN(C)CCC)C(C)(C)C1 ZINC001724969381 1181812180 /nfs/dbraw/zinc/81/21/80/1181812180.db2.gz HRYMGBCRHAJBFR-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)CCC)C(C)(C)C1 ZINC001724969381 1181812189 /nfs/dbraw/zinc/81/21/89/1181812189.db2.gz HRYMGBCRHAJBFR-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001725475903 1182014101 /nfs/dbraw/zinc/01/41/01/1182014101.db2.gz WPOLSZAWTTVJFV-AWEZNQCLSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CC[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001731569264 1182452502 /nfs/dbraw/zinc/45/25/02/1182452502.db2.gz WLCKSDVYWMWBDW-UHFFFAOYSA-N 1 3 279.428 1.674 10 30 CDEEHO CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001732003782 1182719888 /nfs/dbraw/zinc/71/98/88/1182719888.db2.gz IBENSWSZMFQLNL-HNNXBMFYSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCCN1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001732176575 1182832342 /nfs/dbraw/zinc/83/23/42/1182832342.db2.gz VHNSUSXDBMASDG-INIZCTEOSA-N 1 3 291.439 1.418 10 30 CDEEHO C=C(C)C[NH2+]C[C@@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001732252278 1182884443 /nfs/dbraw/zinc/88/44/43/1182884443.db2.gz FUUHWKPQABMCAQ-MRXNPFEDSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC(C)C)CC1 ZINC001733067860 1183275629 /nfs/dbraw/zinc/27/56/29/1183275629.db2.gz RSTWQCVCPQGRKS-HNNXBMFYSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC(C)C)CC1 ZINC001733067860 1183275633 /nfs/dbraw/zinc/27/56/33/1183275633.db2.gz RSTWQCVCPQGRKS-HNNXBMFYSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733222327 1183348625 /nfs/dbraw/zinc/34/86/25/1183348625.db2.gz AGENVLXWVPWTQQ-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001734594607 1183838423 /nfs/dbraw/zinc/83/84/23/1183838423.db2.gz QNZXJFZRBTZXAE-UHFFFAOYSA-N 1 3 279.428 1.626 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000876536436 697939062 /nfs/dbraw/zinc/93/90/62/697939062.db2.gz ZCUKEZFEKWSUGX-VWYCJHECSA-N 1 3 259.781 1.090 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000876971220 698091041 /nfs/dbraw/zinc/09/10/41/698091041.db2.gz DCCMXRHDYFQJHV-KGYLQXTDSA-N 1 3 287.835 1.822 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000876755856 698099581 /nfs/dbraw/zinc/09/95/81/698099581.db2.gz XYLBHTZPVPJUHS-VXGBXAGGSA-N 1 3 271.792 1.151 10 30 CDEEHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000870989102 698355145 /nfs/dbraw/zinc/35/51/45/698355145.db2.gz FDXOJNMTPSJZSP-CZUORRHYSA-N 1 3 294.443 1.621 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1C ZINC001263275045 1167442266 /nfs/dbraw/zinc/44/22/66/1167442266.db2.gz UESFOAOYEHSZDR-QWRGUYRKSA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000876728843 848140720 /nfs/dbraw/zinc/14/07/20/848140720.db2.gz XSTAQHRAATVRFE-NEPJUHHUSA-N 1 3 273.808 1.257 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000876728843 848140714 /nfs/dbraw/zinc/14/07/14/848140714.db2.gz XSTAQHRAATVRFE-NEPJUHHUSA-N 1 3 273.808 1.257 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cl)cn1 ZINC000305778623 848236618 /nfs/dbraw/zinc/23/66/18/848236618.db2.gz QWYUOIVVPZMEQZ-ZDUSSCGKSA-N 1 3 295.818 1.624 10 30 CDEEHO C[NH+]=C(NCC(C)(C)OC)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261952778 849331139 /nfs/dbraw/zinc/33/11/39/849331139.db2.gz HVXQMFOCLUZEAB-QWHCGFSZSA-N 1 3 284.448 1.305 10 30 CDEEHO C#C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)C1CCOCC1 ZINC000877636441 849402966 /nfs/dbraw/zinc/40/29/66/849402966.db2.gz XOAYMEQDQAZYAS-INIZCTEOSA-N 1 3 294.439 1.240 10 30 CDEEHO C=CC[C@@H]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000625702361 849491252 /nfs/dbraw/zinc/49/12/52/849491252.db2.gz XVJZYJSPSLAQDN-OAHLLOKOSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000876707876 849675170 /nfs/dbraw/zinc/67/51/70/849675170.db2.gz DGMZUFVKBRKDTL-MNOVXSKESA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000876707876 849675174 /nfs/dbraw/zinc/67/51/74/849675174.db2.gz DGMZUFVKBRKDTL-MNOVXSKESA-N 1 3 259.781 1.057 10 30 CDEEHO CCN(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)CC(C)C ZINC000066243267 849994034 /nfs/dbraw/zinc/99/40/34/849994034.db2.gz NNLUNJQBBVAJRV-CABCVRRESA-N 1 3 298.475 1.826 10 30 CDEEHO C=C(C)CN1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567914162 1168072691 /nfs/dbraw/zinc/07/26/91/1168072691.db2.gz AADZTNNCRAUCOM-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CN1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567914162 1168072695 /nfs/dbraw/zinc/07/26/95/1168072695.db2.gz AADZTNNCRAUCOM-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[C@H](C)[N@H+](C)CCNC(=O)Cc1nc[nH]c1C ZINC001567316207 1168674310 /nfs/dbraw/zinc/67/43/10/1168674310.db2.gz RQUVOBXRUSXQTQ-LBPRGKRZSA-N 1 3 278.400 1.663 10 30 CDEEHO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)Cc1nc[nH]c1C ZINC001567316207 1168674313 /nfs/dbraw/zinc/67/43/13/1168674313.db2.gz RQUVOBXRUSXQTQ-LBPRGKRZSA-N 1 3 278.400 1.663 10 30 CDEEHO C#CCC[N@@H+](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001480920426 896939076 /nfs/dbraw/zinc/93/90/76/896939076.db2.gz PDTUUIURQKMOMQ-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@H+](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001480920426 896939086 /nfs/dbraw/zinc/93/90/86/896939086.db2.gz PDTUUIURQKMOMQ-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267317026 897573854 /nfs/dbraw/zinc/57/38/54/897573854.db2.gz LVHDMWYRZGMYFG-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267317026 897573872 /nfs/dbraw/zinc/57/38/72/897573872.db2.gz LVHDMWYRZGMYFG-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCNCCN(CC)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001268500581 902411402 /nfs/dbraw/zinc/41/14/02/902411402.db2.gz XJZWKLTUSZPKEH-GASCZTMLSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCNCCN(CC)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001268500581 902411409 /nfs/dbraw/zinc/41/14/09/902411409.db2.gz XJZWKLTUSZPKEH-GASCZTMLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268753976 903085265 /nfs/dbraw/zinc/08/52/65/903085265.db2.gz YKYFNDYLBFOWKU-GJZGRUSLSA-N 1 3 283.460 1.975 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268753976 903085279 /nfs/dbraw/zinc/08/52/79/903085279.db2.gz YKYFNDYLBFOWKU-GJZGRUSLSA-N 1 3 283.460 1.975 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001269790721 904117974 /nfs/dbraw/zinc/11/79/74/904117974.db2.gz KBPIZBSOFHBKIO-JKSUJKDBSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001567861046 1169024981 /nfs/dbraw/zinc/02/49/81/1169024981.db2.gz HPBSZHPICNTNIU-GJZGRUSLSA-N 1 3 291.439 1.580 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001483794164 915074910 /nfs/dbraw/zinc/07/49/10/915074910.db2.gz PWKIEUFBGBPOKW-ZIAGYGMSSA-N 1 3 279.428 1.674 10 30 CDEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](C(C)C)CC1 ZINC001483987689 915265636 /nfs/dbraw/zinc/26/56/36/915265636.db2.gz ZWXMPODEVAAKTC-INIZCTEOSA-N 1 3 293.455 1.661 10 30 CDEEHO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2 ZINC001484390113 915707440 /nfs/dbraw/zinc/70/74/40/915707440.db2.gz HJRGLAMROYERHE-FZKCQIBNSA-N 1 3 291.439 1.319 10 30 CDEEHO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2 ZINC001484390113 915707451 /nfs/dbraw/zinc/70/74/51/915707451.db2.gz HJRGLAMROYERHE-FZKCQIBNSA-N 1 3 291.439 1.319 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485343553 916858329 /nfs/dbraw/zinc/85/83/29/916858329.db2.gz GSYGKVKCDJFXQR-IHRRRGAJSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485343553 916858334 /nfs/dbraw/zinc/85/83/34/916858334.db2.gz GSYGKVKCDJFXQR-IHRRRGAJSA-N 1 3 267.417 1.339 10 30 CDEEHO C=C(C)C[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001485739287 917232951 /nfs/dbraw/zinc/23/29/51/917232951.db2.gz PJZBOQAVLGRYPE-GJZGRUSLSA-N 1 3 281.444 1.779 10 30 CDEEHO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](CC)N(C)C ZINC001485825719 918766686 /nfs/dbraw/zinc/76/66/86/918766686.db2.gz GRJGMIMWXSYCTR-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001485837560 920086233 /nfs/dbraw/zinc/08/62/33/920086233.db2.gz PVKWDCXFXIZODK-JKSUJKDBSA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001490216361 927032400 /nfs/dbraw/zinc/03/24/00/927032400.db2.gz ORXSXSFAAKOARJ-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001490216361 927032412 /nfs/dbraw/zinc/03/24/12/927032412.db2.gz ORXSXSFAAKOARJ-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001274608423 931518497 /nfs/dbraw/zinc/51/84/97/931518497.db2.gz FUZARWJRDAFHGH-YVACAVLKSA-N 1 3 277.412 1.002 10 30 CDEEHO C=CC[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001283239812 942863721 /nfs/dbraw/zinc/86/37/21/942863721.db2.gz PGUSOVCSHIGMCV-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001284244977 943130129 /nfs/dbraw/zinc/13/01/29/943130129.db2.gz RXCGCMAQYNUVBG-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCC[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)C 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1.567 10 30 CDEEHO C#CCC[NH2+][C@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001332436793 957565170 /nfs/dbraw/zinc/56/51/70/957565170.db2.gz HXPAGGJYKRZTSA-KBPBESRZSA-N 1 3 279.428 1.177 10 30 CDEEHO CC#CC[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001317684189 957639026 /nfs/dbraw/zinc/63/90/26/957639026.db2.gz HCQDEPBXGDWTPV-CYBMUJFWSA-N 1 3 288.395 1.192 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001318593824 958189996 /nfs/dbraw/zinc/18/99/96/958189996.db2.gz UKJLQSCZZXNQOA-ZIAGYGMSSA-N 1 3 269.433 1.633 10 30 CDEEHO C#CCCN1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001494909563 972334262 /nfs/dbraw/zinc/33/42/62/972334262.db2.gz KAYGTQYLFRSLTI-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001319711852 958695121 /nfs/dbraw/zinc/69/51/21/958695121.db2.gz IBHLNVMBBAKIKT-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001319831420 958740885 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C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CCCF)CC1 ZINC001497331289 973288960 /nfs/dbraw/zinc/28/89/60/973288960.db2.gz LDZSANFBEMBLMT-CQSZACIVSA-N 1 3 297.418 1.176 10 30 CDEEHO C=CC[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001498314849 973825787 /nfs/dbraw/zinc/82/57/87/973825787.db2.gz WCVPMFSGMCGTMG-LBPRGKRZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001498314849 973825796 /nfs/dbraw/zinc/82/57/96/973825796.db2.gz WCVPMFSGMCGTMG-LBPRGKRZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001499927199 974338121 /nfs/dbraw/zinc/33/81/21/974338121.db2.gz ZPONZGRIMHIACQ-CABCVRRESA-N 1 3 279.428 1.485 10 30 CDEEHO C#CC[NH+]1CCC(C)(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001500457363 974439412 /nfs/dbraw/zinc/43/94/12/974439412.db2.gz JMFXLIOIVRYPQC-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001505456246 974886070 /nfs/dbraw/zinc/88/60/70/974886070.db2.gz QQSRZIZAKUSMHF-CABCVRRESA-N 1 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CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594439634 342906828 /nfs/dbraw/zinc/90/68/28/342906828.db2.gz TUWJICFFSSRSDZ-KGLIPLIRSA-N 1 3 280.416 1.198 10 30 CDEEHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594439634 342906829 /nfs/dbraw/zinc/90/68/29/342906829.db2.gz TUWJICFFSSRSDZ-KGLIPLIRSA-N 1 3 280.416 1.198 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000594440845 342907507 /nfs/dbraw/zinc/90/75/07/342907507.db2.gz INVYCFINDSSNIH-MJBXVCDLSA-N 1 3 278.400 1.141 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000594440845 342907508 /nfs/dbraw/zinc/90/75/08/342907508.db2.gz INVYCFINDSSNIH-MJBXVCDLSA-N 1 3 278.400 1.141 10 30 CDEEHO CC[NH+](CC)CCCNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600713323 342243753 /nfs/dbraw/zinc/24/37/53/342243753.db2.gz HQZYPNUXJYXNAK-HNNXBMFYSA-N 1 3 297.443 1.379 10 30 CDEEHO CCN(CC)CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600713323 342243754 /nfs/dbraw/zinc/24/37/54/342243754.db2.gz HQZYPNUXJYXNAK-HNNXBMFYSA-N 1 3 297.443 1.379 10 30 CDEEHO C=CCCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000562628683 361659658 /nfs/dbraw/zinc/65/96/58/361659658.db2.gz UMSXLIJBEHKLBU-UHFFFAOYSA-N 1 3 270.421 1.087 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626970287 367106638 /nfs/dbraw/zinc/10/66/38/367106638.db2.gz JKMHFTAHJNLMQO-TZMCWYRMSA-N 1 3 280.416 1.077 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](F)CN(CC)CC ZINC001661926163 1172467453 /nfs/dbraw/zinc/46/74/53/1172467453.db2.gz SNCDZOWAQXKBGY-HUUCEWRRSA-N 1 3 297.418 1.270 10 30 CDEEHO N#CCCOCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000339044926 391245463 /nfs/dbraw/zinc/24/54/63/391245463.db2.gz QNTOROFKMMGVIP-GDBMZVCRSA-N 1 3 277.412 1.865 10 30 CDEEHO N#CCCOCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000339044926 391245464 /nfs/dbraw/zinc/24/54/64/391245464.db2.gz QNTOROFKMMGVIP-GDBMZVCRSA-N 1 3 277.412 1.865 10 30 CDEEHO C=CC[C@]1(C(=O)NCc2ccc3c(c2)CNC3)CCC[NH2+]1 ZINC000662769479 413465672 /nfs/dbraw/zinc/46/56/72/413465672.db2.gz FFNVFTJHLGOQAD-QGZVFWFLSA-N 1 3 285.391 1.604 10 30 CDEEHO CN(Cc1sccc1C#CC[NH3+])C[C@H]1CCCO1 ZINC000043683890 175092375 /nfs/dbraw/zinc/09/23/75/175092375.db2.gz NINBSFPDVRPAMZ-CYBMUJFWSA-N 1 3 264.394 1.669 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001667584515 1173293629 /nfs/dbraw/zinc/29/36/29/1173293629.db2.gz BLCVGNAYARVBEF-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001667584515 1173293633 /nfs/dbraw/zinc/29/36/33/1173293633.db2.gz BLCVGNAYARVBEF-HZPDHXFCSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001669822184 1173615528 /nfs/dbraw/zinc/61/55/28/1173615528.db2.gz TUYGAJBBSBARHT-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001669822184 1173615532 /nfs/dbraw/zinc/61/55/32/1173615532.db2.gz TUYGAJBBSBARHT-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000262240351 330002451 /nfs/dbraw/zinc/00/24/51/330002451.db2.gz XXSNFDMLNJEDTP-XGUBFFRZSA-N 1 3 296.459 1.579 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001707442191 1178046424 /nfs/dbraw/zinc/04/64/24/1178046424.db2.gz YECRJFJGSDGPAA-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001734358556 1183745814 /nfs/dbraw/zinc/74/58/14/1183745814.db2.gz ZGKIRNRFWPOYIX-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCN(CC=C)CCn1cc(C[NH2+]CCC)nn1 ZINC000052376551 518770307 /nfs/dbraw/zinc/77/03/07/518770307.db2.gz CZOYPCMKVBPAGO-UHFFFAOYSA-N 1 3 263.389 1.452 10 30 CDEEHO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C#CCN)s1 ZINC000049561934 524163082 /nfs/dbraw/zinc/16/30/82/524163082.db2.gz IJUAFXNINNGCOE-LLVKDONJSA-N 1 3 279.409 1.128 10 30 CDEEHO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001690183507 1175397866 /nfs/dbraw/zinc/39/78/66/1175397866.db2.gz 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CDEEHO C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001715572862 1179721892 /nfs/dbraw/zinc/72/18/92/1179721892.db2.gz VCLOXSXRPRQTLD-LSDHHAIUSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001725074858 1181846768 /nfs/dbraw/zinc/84/67/68/1181846768.db2.gz AHTOQEWQUIIISW-GPANFISMSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCN1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725240417 1181933689 /nfs/dbraw/zinc/93/36/89/1181933689.db2.gz LRLFEZCERZPIBT-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725240417 1181933693 /nfs/dbraw/zinc/93/36/93/1181933693.db2.gz LRLFEZCERZPIBT-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001731476385 1182409672 /nfs/dbraw/zinc/40/96/72/1182409672.db2.gz OEECZYNWKVDHTB-ZNMIVQPWSA-N 1 3 277.412 1.119 10 30 CDEEHO C=C(C)CC[NH2+][C@H](CC)CNC(=O)Cc1nc[nH]c1C ZINC001732219344 1182865458 /nfs/dbraw/zinc/86/54/58/1182865458.db2.gz XPUXDQIGGNNRIO-CYBMUJFWSA-N 1 3 278.400 1.711 10 30 CDEEHO C=CC[NH2+]C[C@@](C)(NC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001732247449 1182882468 /nfs/dbraw/zinc/88/24/68/1182882468.db2.gz LCFHTPBWHJBWPF-DZGCQCFKSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733222325 1183349439 /nfs/dbraw/zinc/34/94/39/1183349439.db2.gz AGENVLXWVPWTQQ-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001733970679 1183594149 /nfs/dbraw/zinc/59/41/49/1183594149.db2.gz HZOKCZUCDMLZIX-GJZGRUSLSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001734395623 1183761810 /nfs/dbraw/zinc/76/18/10/1183761810.db2.gz OJRQDVBXGYZFGD-DZGCQCFKSA-N 1 3 279.428 1.626 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734456974 1183786208 /nfs/dbraw/zinc/78/62/08/1183786208.db2.gz HRKDKUNYAJDQMC-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[N@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001734633761 1183855524 /nfs/dbraw/zinc/85/55/24/1183855524.db2.gz STYXBRVNBBEBCZ-HNNXBMFYSA-N 1 3 289.423 1.100 10 30 CDEEHO C#CCC[N@@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001734633761 1183855525 /nfs/dbraw/zinc/85/55/25/1183855525.db2.gz STYXBRVNBBEBCZ-HNNXBMFYSA-N 1 3 289.423 1.100 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000876846962 710703526 /nfs/dbraw/zinc/70/35/26/710703526.db2.gz GXRAUEJJMDBSRO-GHMZBOCLSA-N 1 3 259.781 1.186 10 30 CDEEHO CN(C(=O)[C@@H](N)CCCCC#N)C1CCC([NH3+])CC1 ZINC000848395295 705460487 /nfs/dbraw/zinc/46/04/87/705460487.db2.gz BHXZGGMBBCDHAS-BPCQOVAHSA-N 1 3 266.389 1.126 10 30 CDEEHO CN(CCNC(=[NH2+])NCC1CCC1)C1CCCCC1 ZINC000303911150 705480693 /nfs/dbraw/zinc/48/06/93/705480693.db2.gz ZHGBHRMXZFIEGO-UHFFFAOYSA-N 1 3 266.433 1.955 10 30 CDEEHO CN(C)CCN(C(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852863422 705720028 /nfs/dbraw/zinc/72/00/28/705720028.db2.gz OCZPRHNGKPTZOJ-UHFFFAOYSA-N 1 3 299.418 1.584 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000876728265 705732770 /nfs/dbraw/zinc/73/27/70/705732770.db2.gz ZKBZERYVXJKQSH-ZDUSSCGKSA-N 1 3 285.819 1.447 10 30 CDEEHO C#CCCCCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000878247895 705950925 /nfs/dbraw/zinc/95/09/25/705950925.db2.gz LATMIXPNRUBNLD-KRWDZBQOSA-N 1 3 277.456 1.892 10 30 CDEEHO C#CCCCCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000878247895 705950927 /nfs/dbraw/zinc/95/09/27/705950927.db2.gz LATMIXPNRUBNLD-KRWDZBQOSA-N 1 3 277.456 1.892 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)CCCCCC[NH3+] ZINC000877436397 709501683 /nfs/dbraw/zinc/50/16/83/709501683.db2.gz HFYKVOIXXGLQHS-NSHDSACASA-N 1 3 261.797 1.434 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000876855703 709834109 /nfs/dbraw/zinc/83/41/09/709834109.db2.gz ZREUMHAQVOJURI-GFCCVEGCSA-N 1 3 295.770 1.577 10 30 CDEEHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]([NH3+])CCCCC#N ZINC000720886440 710094366 /nfs/dbraw/zinc/09/43/66/710094366.db2.gz GTFUDZOXCSDHJW-HZSPNIEDSA-N 1 3 278.400 1.093 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000876901103 710186722 /nfs/dbraw/zinc/18/67/22/710186722.db2.gz ZEXUAXMWFIRNLC-FRRDWIJNSA-N 1 3 285.819 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000876901103 710186730 /nfs/dbraw/zinc/18/67/30/710186730.db2.gz ZEXUAXMWFIRNLC-FRRDWIJNSA-N 1 3 285.819 1.399 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000876787470 710318388 /nfs/dbraw/zinc/31/83/88/710318388.db2.gz QVZVWADQNAXUEH-LLVKDONJSA-N 1 3 259.781 1.009 10 30 CDEEHO C=CCC[C@H](O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931311545 710406812 /nfs/dbraw/zinc/40/68/12/710406812.db2.gz RLHMWWVNGHPCOF-SOUVJXGZSA-N 1 3 252.402 1.587 10 30 CDEEHO C=CCC[C@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931311545 710406815 /nfs/dbraw/zinc/40/68/15/710406815.db2.gz RLHMWWVNGHPCOF-SOUVJXGZSA-N 1 3 252.402 1.587 10 30 CDEEHO CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001567177230 1168605776 /nfs/dbraw/zinc/60/57/76/1168605776.db2.gz SRMWSQNUKKHYDV-LSDHHAIUSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001266593936 895494255 /nfs/dbraw/zinc/49/42/55/895494255.db2.gz BQHBBEGZZXIKLP-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001266593936 895494260 /nfs/dbraw/zinc/49/42/60/895494260.db2.gz BQHBBEGZZXIKLP-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001266877943 896267610 /nfs/dbraw/zinc/26/76/10/896267610.db2.gz HIAWCDUSEURFOH-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001266881241 896271979 /nfs/dbraw/zinc/27/19/79/896271979.db2.gz UGIPQDHNXGLHSE-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CCN1CC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267301679 897521349 /nfs/dbraw/zinc/52/13/49/897521349.db2.gz DHRVZKSNPAWZBO-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567574098 1168866467 /nfs/dbraw/zinc/86/64/67/1168866467.db2.gz XGQSOXBZHAZUIH-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001567574098 1168866481 /nfs/dbraw/zinc/86/64/81/1168866481.db2.gz XGQSOXBZHAZUIH-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001267589583 898595589 /nfs/dbraw/zinc/59/55/89/898595589.db2.gz KTZCOUFZHLWSCO-JKSUJKDBSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001267589583 898595597 /nfs/dbraw/zinc/59/55/97/898595597.db2.gz KTZCOUFZHLWSCO-JKSUJKDBSA-N 1 3 293.455 1.685 10 30 CDEEHO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267595110 898644991 /nfs/dbraw/zinc/64/49/91/898644991.db2.gz FZEFCTZFIYLDHI-HNNXBMFYSA-N 1 3 279.428 1.130 10 30 CDEEHO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267595110 898644996 /nfs/dbraw/zinc/64/49/96/898644996.db2.gz FZEFCTZFIYLDHI-HNNXBMFYSA-N 1 3 279.428 1.130 10 30 CDEEHO CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001267820694 899809365 /nfs/dbraw/zinc/80/93/65/899809365.db2.gz HHIAVIBGABBGON-CVEARBPZSA-N 1 3 293.455 1.757 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001481355153 900489752 /nfs/dbraw/zinc/48/97/52/900489752.db2.gz XLJCXVNEHHIXHK-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001481355153 900489745 /nfs/dbraw/zinc/48/97/45/900489745.db2.gz XLJCXVNEHHIXHK-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001481660634 901748640 /nfs/dbraw/zinc/74/86/40/901748640.db2.gz KSKDQUDDJPXPGZ-HUUCEWRRSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001268582110 902664783 /nfs/dbraw/zinc/66/47/83/902664783.db2.gz GAKWEDJTJLGGBE-NFAHFFEMSA-N 1 3 277.412 1.004 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268582110 902664793 /nfs/dbraw/zinc/66/47/93/902664793.db2.gz GAKWEDJTJLGGBE-NFAHFFEMSA-N 1 3 277.412 1.004 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001482131894 902684093 /nfs/dbraw/zinc/68/40/93/902684093.db2.gz YUBJZMAIPZFIOK-CQSZACIVSA-N 1 3 281.444 1.779 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001271675188 906588152 /nfs/dbraw/zinc/58/81/52/906588152.db2.gz DNSJHOIFIXLRAM-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]C(C)C)C(C)C)CC1 ZINC001482571482 907279185 /nfs/dbraw/zinc/27/91/85/907279185.db2.gz IMHKVLICDHWLLL-MRXNPFEDSA-N 1 3 293.455 1.470 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001568059759 1169130324 /nfs/dbraw/zinc/13/03/24/1169130324.db2.gz ADEJURZZVOKLHM-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484122183 915444806 /nfs/dbraw/zinc/44/48/06/915444806.db2.gz BQQPWBDFEXRBFY-HOCLYGCPSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CCCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001484910895 916261269 /nfs/dbraw/zinc/26/12/69/916261269.db2.gz YLCNVHDUYDHLMV-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C#CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001649463861 1169266059 /nfs/dbraw/zinc/26/60/59/1169266059.db2.gz NJLVKRPXEWAKIA-UONOGXRCSA-N 1 3 279.428 1.034 10 30 CDEEHO C#CCNC/C=C/CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001274367576 931494322 /nfs/dbraw/zinc/49/43/22/931494322.db2.gz CILZYNFNAZCPIU-AATRIKPKSA-N 1 3 299.418 1.300 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001274411993 931498033 /nfs/dbraw/zinc/49/80/33/931498033.db2.gz BYQWGOIXDFOORF-PTZVLDCSSA-N 1 3 291.439 1.536 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001493006301 931712502 /nfs/dbraw/zinc/71/25/02/931712502.db2.gz FPQAYSYPYPNCDM-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001493006301 931712505 /nfs/dbraw/zinc/71/25/05/931712505.db2.gz FPQAYSYPYPNCDM-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001275729748 931983186 /nfs/dbraw/zinc/98/31/86/931983186.db2.gz OQZJBMPMQDMAFQ-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001122494947 937937068 /nfs/dbraw/zinc/93/70/68/937937068.db2.gz MJVZDVLWYMPDMO-QWHCGFSZSA-N 1 3 253.390 1.176 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276970460 941751854 /nfs/dbraw/zinc/75/18/54/941751854.db2.gz RAGQNMAVVQBWMS-KBPBESRZSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001276970460 941751857 /nfs/dbraw/zinc/75/18/57/941751857.db2.gz RAGQNMAVVQBWMS-KBPBESRZSA-N 1 3 265.401 1.095 10 30 CDEEHO C=C(C)CC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001277177374 942121488 /nfs/dbraw/zinc/12/14/88/942121488.db2.gz KQEHNFVJRYSJEY-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001281967724 942638642 /nfs/dbraw/zinc/63/86/42/942638642.db2.gz IVDNZAQWLSHZGJ-AWEZNQCLSA-N 1 3 267.417 1.435 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001281967724 942638647 /nfs/dbraw/zinc/63/86/47/942638647.db2.gz IVDNZAQWLSHZGJ-AWEZNQCLSA-N 1 3 267.417 1.435 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001265073214 944220250 /nfs/dbraw/zinc/22/02/50/944220250.db2.gz UGQYTBXHTTUQRB-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001265433746 944385797 /nfs/dbraw/zinc/38/57/97/944385797.db2.gz IPEGMSKWWCWKFE-AWEZNQCLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001279396528 944800313 /nfs/dbraw/zinc/80/03/13/944800313.db2.gz XIDUFYGMKSQLEZ-OKILXGFUSA-N 1 3 288.395 1.309 10 30 CDEEHO C=CCCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001279396528 944800315 /nfs/dbraw/zinc/80/03/15/944800315.db2.gz XIDUFYGMKSQLEZ-OKILXGFUSA-N 1 3 288.395 1.309 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568870921 1169527072 /nfs/dbraw/zinc/52/70/72/1169527072.db2.gz HXZXZKATIWLGMF-SNAWJCMRSA-N 1 3 289.423 1.148 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001480349660 971683912 /nfs/dbraw/zinc/68/39/12/971683912.db2.gz IRKAJKDLTLXZAA-AWEZNQCLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H](CC)N(C)C ZINC001328441248 955296076 /nfs/dbraw/zinc/29/60/76/955296076.db2.gz RIMGGSMHXUANAL-STQMWFEESA-N 1 3 255.406 1.387 10 30 CDEEHO C#CCN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491684444 955358479 /nfs/dbraw/zinc/35/84/79/955358479.db2.gz VPVLQFXNDGURMF-CABCVRRESA-N 1 3 279.428 1.224 10 30 CDEEHO C#CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001491684444 955358492 /nfs/dbraw/zinc/35/84/92/955358492.db2.gz VPVLQFXNDGURMF-CABCVRRESA-N 1 3 279.428 1.224 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001491813107 955477518 /nfs/dbraw/zinc/47/75/18/955477518.db2.gz ZCZVAYNDZRCRKG-ZDUSSCGKSA-N 1 3 265.401 1.095 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)CCC ZINC001329170578 955733835 /nfs/dbraw/zinc/73/38/35/955733835.db2.gz IOASSMHXFLKECD-CHWSQXEVSA-N 1 3 255.406 1.387 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001494053555 972163938 /nfs/dbraw/zinc/16/39/38/972163938.db2.gz CZBVWSQQCUNBAL-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001494053555 972163942 /nfs/dbraw/zinc/16/39/42/972163942.db2.gz CZBVWSQQCUNBAL-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001330001962 956230221 /nfs/dbraw/zinc/23/02/21/956230221.db2.gz ZBAHKNWQHWLZST-CQSZACIVSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001330230937 956339395 /nfs/dbraw/zinc/33/93/95/956339395.db2.gz UFRIQXCASPMHMP-AWEZNQCLSA-N 1 3 293.455 1.731 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001317540442 956839821 /nfs/dbraw/zinc/83/98/21/956839821.db2.gz KRNJELXKDUKCKN-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001317540442 956839834 /nfs/dbraw/zinc/83/98/34/956839834.db2.gz KRNJELXKDUKCKN-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)CN1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316993030 957191806 /nfs/dbraw/zinc/19/18/06/957191806.db2.gz WYZGVVWGLRXTKU-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=C(C)CN1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001316993030 957191813 /nfs/dbraw/zinc/19/18/13/957191813.db2.gz WYZGVVWGLRXTKU-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001317140586 957300014 /nfs/dbraw/zinc/30/00/14/957300014.db2.gz QZGITJGVEXETDF-OAHLLOKOSA-N 1 3 295.471 1.979 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001317140586 957300024 /nfs/dbraw/zinc/30/00/24/957300024.db2.gz QZGITJGVEXETDF-OAHLLOKOSA-N 1 3 295.471 1.979 10 30 CDEEHO C=C(C)CN(CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001317559408 957554786 /nfs/dbraw/zinc/55/47/86/957554786.db2.gz XGVRWDKQSFVTGF-UHFFFAOYSA-N 1 3 277.412 1.239 10 30 CDEEHO C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001317810868 957675393 /nfs/dbraw/zinc/67/53/93/957675393.db2.gz GRDWQTCAMVWOSW-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001317810868 957675401 /nfs/dbraw/zinc/67/54/01/957675401.db2.gz GRDWQTCAMVWOSW-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001319508750 958600793 /nfs/dbraw/zinc/60/07/93/958600793.db2.gz CXDJFFQBBPABIP-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320890803 959441836 /nfs/dbraw/zinc/44/18/36/959441836.db2.gz ACRSHCOFUPVUNG-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001357999537 969678154 /nfs/dbraw/zinc/67/81/54/969678154.db2.gz HOKYENBTKKCWSI-XQQFMLRXSA-N 1 3 251.374 1.023 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001495815675 972648077 /nfs/dbraw/zinc/64/80/77/972648077.db2.gz RKRNRPXOQATSHU-CYBMUJFWSA-N 1 3 255.406 1.245 10 30 CDEEHO C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001498376271 973869668 /nfs/dbraw/zinc/86/96/68/973869668.db2.gz PNXCWQVTQJKSKN-QWHCGFSZSA-N 1 3 255.406 1.195 10 30 CDEEHO C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001498376271 973869676 /nfs/dbraw/zinc/86/96/76/973869676.db2.gz PNXCWQVTQJKSKN-QWHCGFSZSA-N 1 3 255.406 1.195 10 30 CDEEHO C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001500225549 974406207 /nfs/dbraw/zinc/40/62/07/974406207.db2.gz LYZDUSOIQWVLAW-GDBMZVCRSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001500225549 974406209 /nfs/dbraw/zinc/40/62/09/974406209.db2.gz LYZDUSOIQWVLAW-GDBMZVCRSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001500225550 974407253 /nfs/dbraw/zinc/40/72/53/974407253.db2.gz LYZDUSOIQWVLAW-GOEBONIOSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001500225550 974407255 /nfs/dbraw/zinc/40/72/55/974407255.db2.gz LYZDUSOIQWVLAW-GOEBONIOSA-N 1 3 299.434 1.823 10 30 CDEEHO C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501395316 974579175 /nfs/dbraw/zinc/57/91/75/974579175.db2.gz LYUXWUYRAHAEJB-GJZGRUSLSA-N 1 3 277.412 1.027 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)CCC)CCO1 ZINC001506853237 975235690 /nfs/dbraw/zinc/23/56/90/975235690.db2.gz TUWJDXWJCDSEPF-LSDHHAIUSA-N 1 3 297.443 1.110 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001507150682 975356376 /nfs/dbraw/zinc/35/63/76/975356376.db2.gz ZRNOJGXONMVEFW-STQMWFEESA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001674759094 1174005821 /nfs/dbraw/zinc/00/58/21/1174005821.db2.gz ASETWFRMYYPWKZ-NWDGAFQWSA-N 1 3 278.400 1.710 10 30 CDEEHO C#CCCN1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001675343041 1174105402 /nfs/dbraw/zinc/10/54/02/1174105402.db2.gz IOLOWDSIFULAAW-GOEBONIOSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)(C)C ZINC001571624919 1170500094 /nfs/dbraw/zinc/50/00/94/1170500094.db2.gz SMSKHDBMNXYKSX-HUUCEWRRSA-N 1 3 293.455 1.613 10 30 CDEEHO C#CCN1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001571644860 1170507732 /nfs/dbraw/zinc/50/77/32/1170507732.db2.gz IQUTZGIFBZAXQM-CQSZACIVSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCCCN1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001656102667 1171765267 /nfs/dbraw/zinc/76/52/67/1171765267.db2.gz OLAJOQFOWYYNDH-OAHLLOKOSA-N 1 3 291.439 1.581 10 30 CDEEHO C[NH+](C)CC1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594435132 342898807 /nfs/dbraw/zinc/89/88/07/342898807.db2.gz AZKYVAZLQFLXJN-NRXISQOPSA-N 1 3 294.443 1.634 10 30 CDEEHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594438766 342906254 /nfs/dbraw/zinc/90/62/54/342906254.db2.gz WWJPEXCPXPSLGY-UONOGXRCSA-N 1 3 280.416 1.340 10 30 CDEEHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](N)CCCCC#N)CC[C@@H]21 ZINC000594443123 342908151 /nfs/dbraw/zinc/90/81/51/342908151.db2.gz LNJVSNAHANEZBM-KFWWJZLASA-N 1 3 292.427 1.340 10 30 CDEEHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H](N)CCCCC#N)CC[C@@H]21 ZINC000594443123 342908153 /nfs/dbraw/zinc/90/81/53/342908153.db2.gz LNJVSNAHANEZBM-KFWWJZLASA-N 1 3 292.427 1.340 10 30 CDEEHO C[C@H]1CC2(CN1C(=O)[C@H](N)CCCCC#N)CC[NH2+]CC2 ZINC000594450279 342909848 /nfs/dbraw/zinc/90/98/48/342909848.db2.gz WPWWPBKQNHIRLP-UONOGXRCSA-N 1 3 292.427 1.388 10 30 CDEEHO C[NH2+]CCOCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000600710213 349876756 /nfs/dbraw/zinc/87/67/56/349876756.db2.gz MPJUJBMFAAADSX-OAHLLOKOSA-N 1 3 259.353 1.371 10 30 CDEEHO CCC1([NH+](C)C)CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000602600381 344504868 /nfs/dbraw/zinc/50/48/68/344504868.db2.gz FZOXRYTUVXQBMY-CYBMUJFWSA-N 1 3 280.416 1.340 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCCCN1CC ZINC001660409085 1172211986 /nfs/dbraw/zinc/21/19/86/1172211986.db2.gz TZUDNEVOJLXWIM-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CCCCN1CC ZINC001660409085 1172211992 /nfs/dbraw/zinc/21/19/92/1172211992.db2.gz TZUDNEVOJLXWIM-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)[C@H](CO)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001660591544 1172238392 /nfs/dbraw/zinc/23/83/92/1172238392.db2.gz DEXSYKOVGUBPOO-HNNXBMFYSA-N 1 3 282.428 1.236 10 30 CDEEHO C[C@H](N)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000530234434 374477525 /nfs/dbraw/zinc/47/75/25/374477525.db2.gz PHOGWOQVMLNHCY-LBPRGKRZSA-N 1 3 259.353 1.501 10 30 CDEEHO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659450414 413835558 /nfs/dbraw/zinc/83/55/58/413835558.db2.gz ONWHHGMMSLCKAX-ZIAGYGMSSA-N 1 3 298.406 1.108 10 30 CDEEHO COCCN(Cc1ccc(C#CC[NH3+])s1)C1CC1 ZINC000043683908 175091978 /nfs/dbraw/zinc/09/19/78/175091978.db2.gz LRLSDFSVLLQFMN-UHFFFAOYSA-N 1 3 264.394 1.669 10 30 CDEEHO COCCN(Cc1ccc(C#CC[NH3+])s1)[C@H](C)COC ZINC000043684201 175093003 /nfs/dbraw/zinc/09/30/03/175093003.db2.gz OCGIPJJHQBYYPW-CYBMUJFWSA-N 1 3 296.436 1.542 10 30 CDEEHO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(C#CCN)s1 ZINC000043684117 175093277 /nfs/dbraw/zinc/09/32/77/175093277.db2.gz XIBRSZSZMNTLRE-NWDGAFQWSA-N 1 3 291.420 1.144 10 30 CDEEHO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(C#CCN)s1 ZINC000043684117 175093278 /nfs/dbraw/zinc/09/32/78/175093278.db2.gz XIBRSZSZMNTLRE-NWDGAFQWSA-N 1 3 291.420 1.144 10 30 CDEEHO N#CCCC[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580433012 330132101 /nfs/dbraw/zinc/13/21/01/330132101.db2.gz ANDNTKZWLRZMPS-GJZGRUSLSA-N 1 3 286.379 1.092 10 30 CDEEHO C#CCNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001699387766 1176345906 /nfs/dbraw/zinc/34/59/06/1176345906.db2.gz HEIHFNQRVBCMGJ-HUUCEWRRSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715829016 1179852936 /nfs/dbraw/zinc/85/29/36/1179852936.db2.gz REQALKMPCZGZFS-CQSZACIVSA-N 1 3 267.417 1.435 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715829016 1179852943 /nfs/dbraw/zinc/85/29/43/1179852943.db2.gz REQALKMPCZGZFS-CQSZACIVSA-N 1 3 267.417 1.435 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001733065432 1183272975 /nfs/dbraw/zinc/27/29/75/1183272975.db2.gz IILIIWQBQLRGMR-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001733065432 1183272978 /nfs/dbraw/zinc/27/29/78/1183272978.db2.gz IILIIWQBQLRGMR-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO COC[C@@H](C)N(C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609585 522218468 /nfs/dbraw/zinc/21/84/68/522218468.db2.gz GWYLCCLLUYEAMW-GFCCVEGCSA-N 1 3 264.344 1.603 10 30 CDEEHO COc1ccc(C#CC[NH3+])cc1CN1CCCCC1 ZINC000049608670 523512644 /nfs/dbraw/zinc/51/26/44/523512644.db2.gz RTZQQOYROBYJTJ-UHFFFAOYSA-N 1 3 258.365 1.991 10 30 CDEEHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C#CCN)cc1F ZINC000049561931 524472653 /nfs/dbraw/zinc/47/26/53/524472653.db2.gz DGZYGEHXYNYVEK-LBPRGKRZSA-N 1 3 291.370 1.206 10 30 CDEEHO C#CC[N@@H+](C[C@H](O)CN(C)C(C)C)C1CCCC1 ZINC000851807133 617650659 /nfs/dbraw/zinc/65/06/59/617650659.db2.gz AAPIIPVWTIMWID-OAHLLOKOSA-N 1 3 252.402 1.565 10 30 CDEEHO C#CC[N@H+](C[C@H](O)CN(C)C(C)C)C1CCCC1 ZINC000851807133 617650664 /nfs/dbraw/zinc/65/06/64/617650664.db2.gz AAPIIPVWTIMWID-OAHLLOKOSA-N 1 3 252.402 1.565 10 30 CDEEHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001672531463 1159740630 /nfs/dbraw/zinc/74/06/30/1159740630.db2.gz VDEKAFLQXVYEFE-LSDHHAIUSA-N 1 3 291.439 1.580 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566738488 1168404920 /nfs/dbraw/zinc/40/49/20/1168404920.db2.gz HQZVIAOIUCACQV-HOTGVXAUSA-N 1 3 295.471 1.929 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566738488 1168404922 /nfs/dbraw/zinc/40/49/22/1168404922.db2.gz HQZVIAOIUCACQV-HOTGVXAUSA-N 1 3 295.471 1.929 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567141410 1168594078 /nfs/dbraw/zinc/59/40/78/1168594078.db2.gz AXWLIBXKAQACES-ZDUSSCGKSA-N 1 3 276.384 1.357 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001567144966 1168594715 /nfs/dbraw/zinc/59/47/15/1168594715.db2.gz GRMAWBFFOVLYIO-MRXNPFEDSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001569449201 1169883672 /nfs/dbraw/zinc/88/36/72/1169883672.db2.gz ZFRZMLKCSWYEAT-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001569449201 1169883679 /nfs/dbraw/zinc/88/36/79/1169883679.db2.gz ZFRZMLKCSWYEAT-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001571181198 1170343369 /nfs/dbraw/zinc/34/33/69/1170343369.db2.gz LERQWOFMLLTTTA-RBSFLKMASA-N 1 3 279.428 1.080 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CCC=C)CC1 ZINC001665888512 1173080937 /nfs/dbraw/zinc/08/09/37/1173080937.db2.gz TYFRYYLDXXHAEO-MRXNPFEDSA-N 1 3 291.439 1.392 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001666558345 1173152036 /nfs/dbraw/zinc/15/20/36/1173152036.db2.gz NHYZAJUMABQVPQ-HUUCEWRRSA-N 1 3 279.428 1.226 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001690737877 1175559550 /nfs/dbraw/zinc/55/95/50/1175559550.db2.gz ACHXEQIBBBBOBL-GJZGRUSLSA-N 1 3 279.428 1.342 10 30 CDEEHO C=C(C)C[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001698635057 1175881013 /nfs/dbraw/zinc/88/10/13/1175881013.db2.gz WFWFHQGNTWEDNE-HNNXBMFYSA-N 1 3 293.455 1.923 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001698767368 1175925119 /nfs/dbraw/zinc/92/51/19/1175925119.db2.gz UNDZRJBFHLOEBZ-CVEARBPZSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001699423612 1176387460 /nfs/dbraw/zinc/38/74/60/1176387460.db2.gz YCCZCNLXNAVQMK-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(Cl)C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001699551870 1176472623 /nfs/dbraw/zinc/47/26/23/1176472623.db2.gz WVGWDCLEWLFXIR-UHFFFAOYSA-N 1 3 273.808 1.273 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001699949080 1176693211 /nfs/dbraw/zinc/69/32/11/1176693211.db2.gz BKPJXHXMUULQGF-GJZGRUSLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CC[NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001700434284 1176927417 /nfs/dbraw/zinc/92/74/17/1176927417.db2.gz GXIKSIXDBXAHCP-UHFFFAOYSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCCN1C(C)C ZINC001700517235 1176991527 /nfs/dbraw/zinc/99/15/27/1176991527.db2.gz KMXUUVAYFXGUCZ-CVEARBPZSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001714235568 1179038666 /nfs/dbraw/zinc/03/86/66/1179038666.db2.gz KUABUCLPPWMING-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCN(C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714547056 1179202501 /nfs/dbraw/zinc/20/25/01/1179202501.db2.gz DZNOPYZUTUUZRN-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCN(C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001714547056 1179202505 /nfs/dbraw/zinc/20/25/05/1179202505.db2.gz DZNOPYZUTUUZRN-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC)CC(C)C)CC1 ZINC001714946630 1179470746 /nfs/dbraw/zinc/47/07/46/1179470746.db2.gz YYDINYSKEBGKTF-INIZCTEOSA-N 1 3 293.455 1.472 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716140379 1180068399 /nfs/dbraw/zinc/06/83/99/1180068399.db2.gz TWYAUCBMHSYOFR-TZMCWYRMSA-N 1 3 299.846 1.565 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001716334462 1180158847 /nfs/dbraw/zinc/15/88/47/1180158847.db2.gz RWVHFKUSHBIMPI-MWWKQMNYSA-N 1 3 291.439 1.394 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001716334462 1180158853 /nfs/dbraw/zinc/15/88/53/1180158853.db2.gz RWVHFKUSHBIMPI-MWWKQMNYSA-N 1 3 291.439 1.394 10 30 CDEEHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001716874565 1180448947 /nfs/dbraw/zinc/44/89/47/1180448947.db2.gz MEJPLCAVYJLCBR-DOTOQJQBSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001717356993 1180626650 /nfs/dbraw/zinc/62/66/50/1180626650.db2.gz TVLBILHRQWFKEC-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CC[N@H+](CC)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001717356993 1180626653 /nfs/dbraw/zinc/62/66/53/1180626653.db2.gz TVLBILHRQWFKEC-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)N(C)C)C1 ZINC001717551978 1180736128 /nfs/dbraw/zinc/73/61/28/1180736128.db2.gz DITAKWILPRJOFV-TZMCWYRMSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001717800968 1180861208 /nfs/dbraw/zinc/86/12/08/1180861208.db2.gz DGVAFQDDLYZOOE-OLZOCXBDSA-N 1 3 253.390 1.093 10 30 CDEEHO C=C(C)C[N@H+]1CC=C(CNC(=O)CN(C)CCC)CC1 ZINC001718032449 1180976909 /nfs/dbraw/zinc/97/69/09/1180976909.db2.gz OXEUFCSQNJOLKB-UHFFFAOYSA-N 1 3 279.428 1.653 10 30 CDEEHO C=C(C)C[N@@H+]1CC=C(CNC(=O)CN(C)CCC)CC1 ZINC001718032449 1180976912 /nfs/dbraw/zinc/97/69/12/1180976912.db2.gz OXEUFCSQNJOLKB-UHFFFAOYSA-N 1 3 279.428 1.653 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001725567342 1182052400 /nfs/dbraw/zinc/05/24/00/1182052400.db2.gz MKKZHUDODMZNLA-WCQYABFASA-N 1 3 262.357 1.107 10 30 CDEEHO CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001725600512 1182068118 /nfs/dbraw/zinc/06/81/18/1182068118.db2.gz WRCVDCNSCCYNME-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001725600512 1182068124 /nfs/dbraw/zinc/06/81/24/1182068124.db2.gz WRCVDCNSCCYNME-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001731338193 1182327671 /nfs/dbraw/zinc/32/76/71/1182327671.db2.gz UKOUUMWNKLMHKO-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001731338193 1182327678 /nfs/dbraw/zinc/32/76/78/1182327678.db2.gz UKOUUMWNKLMHKO-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001732133172 1182794144 /nfs/dbraw/zinc/79/41/44/1182794144.db2.gz FUJSWTYSHQZRPC-UHFFFAOYSA-N 1 3 295.471 1.979 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001733013258 1183237698 /nfs/dbraw/zinc/23/76/98/1183237698.db2.gz MHLUYCXTBVVUNE-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001733176530 1183318647 /nfs/dbraw/zinc/31/86/47/1183318647.db2.gz KPKLUTVPNABLET-AWEZNQCLSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001733549379 1183463923 /nfs/dbraw/zinc/46/39/23/1183463923.db2.gz JNROYHCARHEORX-LSDHHAIUSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001733853994 1183551459 /nfs/dbraw/zinc/55/14/59/1183551459.db2.gz MJRYQDHSPWVQJD-JSGCOSHPSA-N 1 3 276.384 1.355 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001733942983 1183576634 /nfs/dbraw/zinc/57/66/34/1183576634.db2.gz FMZRNEAKQKWVJN-HNNXBMFYSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001733942983 1183576636 /nfs/dbraw/zinc/57/66/36/1183576636.db2.gz FMZRNEAKQKWVJN-HNNXBMFYSA-N 1 3 279.428 1.273 10 30 CDEEHO C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001734060517 1183643140 /nfs/dbraw/zinc/64/31/40/1183643140.db2.gz VRGTVIIQUMASLA-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001734060517 1183643143 /nfs/dbraw/zinc/64/31/43/1183643143.db2.gz VRGTVIIQUMASLA-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCN1C(C)C ZINC001734299939 1183719587 /nfs/dbraw/zinc/71/95/87/1183719587.db2.gz GKEWAMSPSUJXGX-HZPDHXFCSA-N 1 3 293.455 1.872 10 30 CDEEHO CC#CCN[C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001734424027 1183773620 /nfs/dbraw/zinc/77/36/20/1183773620.db2.gz DIPPOOJMRRSUQF-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000876781060 711919578 /nfs/dbraw/zinc/91/95/78/711919578.db2.gz ITDUYFBMHPEBOP-NHCYSSNCSA-N 1 3 271.792 1.198 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000876781060 711919580 /nfs/dbraw/zinc/91/95/80/711919580.db2.gz ITDUYFBMHPEBOP-NHCYSSNCSA-N 1 3 271.792 1.198 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000876713600 712134610 /nfs/dbraw/zinc/13/46/10/712134610.db2.gz RMHYSZUOJNVARD-QWHCGFSZSA-N 1 3 287.835 1.837 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000876713600 712134612 /nfs/dbraw/zinc/13/46/12/712134612.db2.gz RMHYSZUOJNVARD-QWHCGFSZSA-N 1 3 287.835 1.837 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000876838480 712422111 /nfs/dbraw/zinc/42/21/11/712422111.db2.gz KMTFYUXQOSLJND-QWRGUYRKSA-N 1 3 259.781 1.044 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCCC(=O)OC ZINC000303770388 712456875 /nfs/dbraw/zinc/45/68/75/712456875.db2.gz BXNRSYDTVQSGMV-ZDUSSCGKSA-N 1 3 298.431 1.108 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567914164 1168073239 /nfs/dbraw/zinc/07/32/39/1168073239.db2.gz AADZTNNCRAUCOM-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567914164 1168073242 /nfs/dbraw/zinc/07/32/42/1168073242.db2.gz AADZTNNCRAUCOM-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001567291254 1168663345 /nfs/dbraw/zinc/66/33/45/1168663345.db2.gz ZNBCWQARHDDJLQ-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001567291254 1168663350 /nfs/dbraw/zinc/66/33/50/1168663350.db2.gz ZNBCWQARHDDJLQ-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCN(CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001267337632 897631660 /nfs/dbraw/zinc/63/16/60/897631660.db2.gz CPIGWAQKJBXMLV-OKILXGFUSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CCN(CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001267337632 897631668 /nfs/dbraw/zinc/63/16/68/897631668.db2.gz CPIGWAQKJBXMLV-OKILXGFUSA-N 1 3 279.428 1.626 10 30 CDEEHO C#CCC[NH2+]C[C@](C)(NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001267858041 899884433 /nfs/dbraw/zinc/88/44/33/899884433.db2.gz LIFASBJXIGHAHV-PBHICJAKSA-N 1 3 291.439 1.226 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267966631 900105637 /nfs/dbraw/zinc/10/56/37/900105637.db2.gz NEWYWGDHOUMETH-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001268087051 901167043 /nfs/dbraw/zinc/16/70/43/901167043.db2.gz OHUJVPYGXIQIQX-HOTGVXAUSA-N 1 3 293.455 1.709 10 30 CDEEHO CCCCCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303694560 902086118 /nfs/dbraw/zinc/08/61/18/902086118.db2.gz DAQVTUCZPMTMPR-ZDUSSCGKSA-N 1 3 254.422 1.955 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)CN(C)C1CCC1 ZINC001269413472 903792369 /nfs/dbraw/zinc/79/23/69/903792369.db2.gz VOWPNKWSVSZFDQ-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001270921169 905447502 /nfs/dbraw/zinc/44/75/02/905447502.db2.gz FXZPJRZHIAZQMG-QWHCGFSZSA-N 1 3 253.390 1.093 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001271610579 906544402 /nfs/dbraw/zinc/54/44/02/906544402.db2.gz XFRAIXCROCARSJ-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001505456248 906994722 /nfs/dbraw/zinc/99/47/22/906994722.db2.gz QQSRZIZAKUSMHF-HUUCEWRRSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001505456248 906994733 /nfs/dbraw/zinc/99/47/33/906994733.db2.gz QQSRZIZAKUSMHF-HUUCEWRRSA-N 1 3 279.428 1.273 10 30 CDEEHO C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001483484791 911178651 /nfs/dbraw/zinc/17/86/51/911178651.db2.gz TYYVOVXLODRFHX-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001485064865 916444319 /nfs/dbraw/zinc/44/43/19/916444319.db2.gz BZJGFRYFOYFCRA-HNNXBMFYSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CC[C@H]1CCCN(CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000829768712 936431035 /nfs/dbraw/zinc/43/10/35/936431035.db2.gz IWRBDYDZXCZXPM-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001568379199 1169268057 /nfs/dbraw/zinc/26/80/57/1169268057.db2.gz OKCCIDCBDFOEIF-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001568459524 1169298126 /nfs/dbraw/zinc/29/81/26/1169298126.db2.gz RHKBXMCGHWLCNU-CQSZACIVSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001274632670 931526509 /nfs/dbraw/zinc/52/65/09/931526509.db2.gz AXJXAOXYCDPAOB-HUUCEWRRSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001274632670 931526513 /nfs/dbraw/zinc/52/65/13/931526513.db2.gz AXJXAOXYCDPAOB-HUUCEWRRSA-N 1 3 291.439 1.463 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001275115620 931668553 /nfs/dbraw/zinc/66/85/53/931668553.db2.gz PORZTWVTJSVNIN-OAHLLOKOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001275115620 931668558 /nfs/dbraw/zinc/66/85/58/931668558.db2.gz PORZTWVTJSVNIN-OAHLLOKOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001283679590 942965322 /nfs/dbraw/zinc/96/53/22/942965322.db2.gz QSFJGWJEYBIVOZ-BBRMVZONSA-N 1 3 299.434 1.821 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001283701992 942973071 /nfs/dbraw/zinc/97/30/71/942973071.db2.gz HKHRZDSQLSMIGU-KGLIPLIRSA-N 1 3 269.433 1.729 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001263849388 944001581 /nfs/dbraw/zinc/00/15/81/944001581.db2.gz HORMVHLWEWYOSP-MJBXVCDLSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001265164822 944257520 /nfs/dbraw/zinc/25/75/20/944257520.db2.gz VLJQLDQBRWUVJF-UHFFFAOYSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001265164822 944257530 /nfs/dbraw/zinc/25/75/30/944257530.db2.gz VLJQLDQBRWUVJF-UHFFFAOYSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H](F)CC)CC1 ZINC001265869902 944549530 /nfs/dbraw/zinc/54/95/30/944549530.db2.gz FBCGBAUCADEWTH-ZFWWWQNUSA-N 1 3 297.418 1.174 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001278988039 948498999 /nfs/dbraw/zinc/49/89/99/948498999.db2.gz AEQMOUMFTOZFBP-CQSZACIVSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CCCC1 ZINC001324497825 953414755 /nfs/dbraw/zinc/41/47/55/953414755.db2.gz OEORFWSAZJRCJC-GOEBONIOSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001317127593 957290930 /nfs/dbraw/zinc/29/09/30/957290930.db2.gz KDLJIUVBNDBRCB-SOUVJXGZSA-N 1 3 281.444 1.918 10 30 CDEEHO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001317366470 957437498 /nfs/dbraw/zinc/43/74/98/957437498.db2.gz QMZFRUQWDONRRY-ZIAGYGMSSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C ZINC001332881133 957913288 /nfs/dbraw/zinc/91/32/88/957913288.db2.gz GXUWRQKPECJPSC-ZIAGYGMSSA-N 1 3 281.444 1.470 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC001340295424 962870801 /nfs/dbraw/zinc/87/08/01/962870801.db2.gz BRKIQQIYPIHIRU-INIZCTEOSA-N 1 3 289.423 1.700 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001344081522 964229182 /nfs/dbraw/zinc/22/91/82/964229182.db2.gz MAQVFTMIUYQPTM-GJZGRUSLSA-N 1 3 297.443 1.239 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001344374078 964291318 /nfs/dbraw/zinc/29/13/18/964291318.db2.gz KJAKHJKYYPAINI-AEGPPILISA-N 1 3 265.401 1.128 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1 ZINC001528459081 968856861 /nfs/dbraw/zinc/85/68/61/968856861.db2.gz ZVNNRRKNMNNDDN-XHSDSOJGSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001528459081 968856871 /nfs/dbraw/zinc/85/68/71/968856871.db2.gz ZVNNRRKNMNNDDN-XHSDSOJGSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001522262967 970415458 /nfs/dbraw/zinc/41/54/58/970415458.db2.gz DCSOHPGNSWRSNU-STQMWFEESA-N 1 3 253.390 1.400 10 30 CDEEHO C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCCCN1CC ZINC001497500516 973368544 /nfs/dbraw/zinc/36/85/44/973368544.db2.gz HPQHBCXDFPWTTJ-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498189687 973733931 /nfs/dbraw/zinc/73/39/31/973733931.db2.gz FLSBTURYMHBIBO-RDJZCZTQSA-N 1 3 299.418 1.084 10 30 CDEEHO C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001498189687 973733941 /nfs/dbraw/zinc/73/39/41/973733941.db2.gz FLSBTURYMHBIBO-RDJZCZTQSA-N 1 3 299.418 1.084 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001498504664 973953311 /nfs/dbraw/zinc/95/33/11/973953311.db2.gz PASAGJVTNXRCHN-LSDHHAIUSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001498659542 974014922 /nfs/dbraw/zinc/01/49/22/974014922.db2.gz ZPAXTTUCLJTILR-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001499074789 974178920 /nfs/dbraw/zinc/17/89/20/974178920.db2.gz YUDKZITYONYUOI-INIZCTEOSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001501091133 974531363 /nfs/dbraw/zinc/53/13/63/974531363.db2.gz LFUSTKKKDXOXBS-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCC1 ZINC001502029389 974677081 /nfs/dbraw/zinc/67/70/81/974677081.db2.gz WIGSQBKYFIHQBY-ZIAGYGMSSA-N 1 3 279.428 1.674 10 30 CDEEHO C=C(Cl)C[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001505518376 974899327 /nfs/dbraw/zinc/89/93/27/974899327.db2.gz HHEHMLVVRSUTDJ-LMWSTFAQSA-N 1 3 299.846 1.565 10 30 CDEEHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001507028624 975299949 /nfs/dbraw/zinc/29/99/49/975299949.db2.gz RUWRKNQSAMXYOU-GOEBONIOSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001507327256 975416972 /nfs/dbraw/zinc/41/69/72/975416972.db2.gz IRFKUMRYLDORFH-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCCN1CC([C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001675343042 1174104772 /nfs/dbraw/zinc/10/47/72/1174104772.db2.gz IOLOWDSIFULAAW-HOCLYGCPSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001677032608 1174309417 /nfs/dbraw/zinc/30/94/17/1174309417.db2.gz HHSMZCHEEBJEIY-ZIAGYGMSSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001656164152 1171781947 /nfs/dbraw/zinc/78/19/47/1171781947.db2.gz NWOKBNMHUGFREQ-OAGGEKHMSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C ZINC000121233993 342088194 /nfs/dbraw/zinc/08/81/94/342088194.db2.gz BLKNXWJHMMXBPU-NVXWUHKLSA-N 1 3 293.455 1.943 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000594438456 342906181 /nfs/dbraw/zinc/90/61/81/342906181.db2.gz INKSFKVIWFDJSN-LSDHHAIUSA-N 1 3 292.427 1.342 10 30 CDEEHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](N)CCCCC#N ZINC000594424672 342904104 /nfs/dbraw/zinc/90/41/04/342904104.db2.gz HXBPEZQRTQSDAJ-TZMCWYRMSA-N 1 3 268.405 1.277 10 30 CDEEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(C#N)s1 ZINC000594965098 342990635 /nfs/dbraw/zinc/99/06/35/342990635.db2.gz OFLUIDYGRCBHMS-ZDUSSCGKSA-N 1 3 294.468 1.981 10 30 CDEEHO C=CCCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504786 345676334 /nfs/dbraw/zinc/67/63/34/345676334.db2.gz KFPNPUMEAZZXIK-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504786 345676337 /nfs/dbraw/zinc/67/63/37/345676337.db2.gz KFPNPUMEAZZXIK-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529308430 368072368 /nfs/dbraw/zinc/07/23/68/368072368.db2.gz QZGHBYYJCPGGPJ-AWEZNQCLSA-N 1 3 292.427 1.221 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001661740277 1172438579 /nfs/dbraw/zinc/43/85/79/1172438579.db2.gz YDIBTRSNMPOUKT-LSDHHAIUSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001661740277 1172438581 /nfs/dbraw/zinc/43/85/81/1172438581.db2.gz YDIBTRSNMPOUKT-LSDHHAIUSA-N 1 3 281.444 1.587 10 30 CDEEHO CN1C[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193618603 375882437 /nfs/dbraw/zinc/88/24/37/375882437.db2.gz FNNFGEUIUWRWDS-OWCLPIDISA-N 1 3 271.364 1.085 10 30 CDEEHO CN1C[C@@H]2C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193618603 375882443 /nfs/dbraw/zinc/88/24/43/375882443.db2.gz FNNFGEUIUWRWDS-OWCLPIDISA-N 1 3 271.364 1.085 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001662503871 1172555408 /nfs/dbraw/zinc/55/54/08/1172555408.db2.gz MLLRDZRPTIWLDP-ZDUSSCGKSA-N 1 3 265.401 1.237 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001663201338 1172654824 /nfs/dbraw/zinc/65/48/24/1172654824.db2.gz PXWQQGWCBCJTFR-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001663201338 1172654833 /nfs/dbraw/zinc/65/48/33/1172654833.db2.gz PXWQQGWCBCJTFR-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@H](C)N(C)C2CC2)CCC[NH2+]1 ZINC000662712832 413364391 /nfs/dbraw/zinc/36/43/91/413364391.db2.gz LQRBOKBBWXXTRD-WFASDCNBSA-N 1 3 265.401 1.284 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001665658952 1173033668 /nfs/dbraw/zinc/03/36/68/1173033668.db2.gz GOEQITDPCJUVTB-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@@H](C)N2CCC(C)CC2)CCC[NH2+]1 ZINC000662701755 424342233 /nfs/dbraw/zinc/34/22/33/424342233.db2.gz UXBJEWMAQOVGOJ-WBVHZDCISA-N 1 3 293.455 1.921 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001691922825 1159156173 /nfs/dbraw/zinc/15/61/73/1159156173.db2.gz SWASSFNOPUUDMW-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001691922825 1159156174 /nfs/dbraw/zinc/15/61/74/1159156174.db2.gz SWASSFNOPUUDMW-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001699403408 1176368632 /nfs/dbraw/zinc/36/86/32/1176368632.db2.gz WULLQUCUBNWKFQ-KBPBESRZSA-N 1 3 267.417 1.530 10 30 CDEEHO C[C@@H](C[C@@](C)(N)C#N)N1CCC(C[NH+]2CCCC2)CC1 ZINC000068615389 524849072 /nfs/dbraw/zinc/84/90/72/524849072.db2.gz LBXDLBZJBCKFKO-GOEBONIOSA-N 1 3 278.444 1.814 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001688903241 1175062889 /nfs/dbraw/zinc/06/28/89/1175062889.db2.gz AHAGRPVGCKRZFV-XHSDSOJGSA-N 1 3 291.439 1.369 10 30 CDEEHO C#C[C@@](C)(CC)[NH2+][C@@H](C)CNC(=O)CN[C@](C)(C#C)CC ZINC000930601778 617464362 /nfs/dbraw/zinc/46/43/62/617464362.db2.gz WNUBXDOTBANTAA-UAGQMJEPSA-N 1 3 291.439 1.274 10 30 CDEEHO N#CC1CCC(CN2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000903458574 625994507 /nfs/dbraw/zinc/99/45/07/625994507.db2.gz DNPBGNAENUFLCX-RUXDESIVSA-N 1 3 251.374 1.366 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001691345832 1159028521 /nfs/dbraw/zinc/02/85/21/1159028521.db2.gz KIUUIWZJMOWPQY-MRXNPFEDSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001691345832 1159028528 /nfs/dbraw/zinc/02/85/28/1159028528.db2.gz KIUUIWZJMOWPQY-MRXNPFEDSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001496487053 1159925997 /nfs/dbraw/zinc/92/59/97/1159925997.db2.gz KHNHCMZHVPKJEH-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC000876737392 1165905557 /nfs/dbraw/zinc/90/55/57/1165905557.db2.gz SPTRZBKIDWGGHN-AWEZNQCLSA-N 1 3 295.814 1.705 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001566779099 1168417306 /nfs/dbraw/zinc/41/73/06/1168417306.db2.gz MFUMFQXUCSYXFT-KRWDZBQOSA-N 1 3 299.418 1.576 10 30 CDEEHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001566802871 1168428371 /nfs/dbraw/zinc/42/83/71/1168428371.db2.gz HGRMJGBHAZNJOB-QAQDUYKDSA-N 1 3 299.418 1.227 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001570363541 1170143022 /nfs/dbraw/zinc/14/30/22/1170143022.db2.gz CRIKZZUCFXMQTD-KBPBESRZSA-N 1 3 267.417 1.339 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001661723867 1172436020 /nfs/dbraw/zinc/43/60/20/1172436020.db2.gz RHQYSUIKDXCYGD-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001661723867 1172436023 /nfs/dbraw/zinc/43/60/23/1172436023.db2.gz RHQYSUIKDXCYGD-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001664036695 1172803236 /nfs/dbraw/zinc/80/32/36/1172803236.db2.gz QTVRXGHYJDLMHH-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001664036695 1172803241 /nfs/dbraw/zinc/80/32/41/1172803241.db2.gz QTVRXGHYJDLMHH-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)CCC ZINC001667764499 1173323528 /nfs/dbraw/zinc/32/35/28/1173323528.db2.gz QHUQGBZKSLRGNG-LSDHHAIUSA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672208947 1173752290 /nfs/dbraw/zinc/75/22/90/1173752290.db2.gz JZBMPGSMZVKHLD-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001698861618 1175968942 /nfs/dbraw/zinc/96/89/42/1175968942.db2.gz QZMQINLWYUGLBE-CYBMUJFWSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001698910727 1175983455 /nfs/dbraw/zinc/98/34/55/1175983455.db2.gz ZXYSTMPQEGTNPO-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001700928886 1177196824 /nfs/dbraw/zinc/19/68/24/1177196824.db2.gz DFSDWUGKAKGSGK-QWHCGFSZSA-N 1 3 276.384 1.321 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001713310572 1178488529 /nfs/dbraw/zinc/48/85/29/1178488529.db2.gz XJXXUTGMCUIPOO-KBPBESRZSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001713518011 1178620414 /nfs/dbraw/zinc/62/04/14/1178620414.db2.gz TYPMSFSEJWIEKP-KBPBESRZSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713518011 1178620418 /nfs/dbraw/zinc/62/04/18/1178620418.db2.gz TYPMSFSEJWIEKP-KBPBESRZSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001716790479 1180416295 /nfs/dbraw/zinc/41/62/95/1180416295.db2.gz DGFDJKOWLOQOIM-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001716989512 1180494074 /nfs/dbraw/zinc/49/40/74/1180494074.db2.gz SUEZWSVFBAAPBM-STQMWFEESA-N 1 3 276.384 1.212 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001717110168 1180532557 /nfs/dbraw/zinc/53/25/57/1180532557.db2.gz BXGFPNAYSKBTMZ-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001717202025 1180569719 /nfs/dbraw/zinc/56/97/19/1180569719.db2.gz MVHITIOJACVYQF-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001717202025 1180569726 /nfs/dbraw/zinc/56/97/26/1180569726.db2.gz MVHITIOJACVYQF-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001717394504 1180646304 /nfs/dbraw/zinc/64/63/04/1180646304.db2.gz NPAHNWXSBGESGP-GPANFISMSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCCN1CC([C@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001725266105 1181943895 /nfs/dbraw/zinc/94/38/95/1181943895.db2.gz GMZPTXJNWYGPKH-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCCN1CC([C@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001725266105 1181943900 /nfs/dbraw/zinc/94/39/00/1181943900.db2.gz GMZPTXJNWYGPKH-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001725364859 1181976529 /nfs/dbraw/zinc/97/65/29/1181976529.db2.gz VVLGMOZNTOLMMH-HDJSIYSDSA-N 1 3 279.428 1.082 10 30 CDEEHO C=CCC[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001725421413 1181995870 /nfs/dbraw/zinc/99/58/70/1181995870.db2.gz VAUGQLDVYDIDJH-UHFFFAOYSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001725421413 1181995873 /nfs/dbraw/zinc/99/58/73/1181995873.db2.gz VAUGQLDVYDIDJH-UHFFFAOYSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001732077891 1182755347 /nfs/dbraw/zinc/75/53/47/1182755347.db2.gz HNZQDSOGZNOMOF-MRXNPFEDSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001732077891 1182755353 /nfs/dbraw/zinc/75/53/53/1182755353.db2.gz HNZQDSOGZNOMOF-MRXNPFEDSA-N 1 3 293.455 1.685 10 30 CDEEHO C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001732542392 1183001735 /nfs/dbraw/zinc/00/17/35/1183001735.db2.gz YUWKYVGQKLKEFX-GOEBONIOSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCC[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001733188304 1183323784 /nfs/dbraw/zinc/32/37/84/1183323784.db2.gz ITUWESAWOCYDBK-AWEZNQCLSA-N 1 3 276.384 1.321 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001733264946 1183376980 /nfs/dbraw/zinc/37/69/80/1183376980.db2.gz IVIOHRQSJVRJCK-HNNXBMFYSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001733938118 1183575526 /nfs/dbraw/zinc/57/55/26/1183575526.db2.gz NUKHVKCDGFVVSF-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001733938118 1183575529 /nfs/dbraw/zinc/57/55/29/1183575529.db2.gz NUKHVKCDGFVVSF-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C=C(C)CN1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001734120152 1183666984 /nfs/dbraw/zinc/66/69/84/1183666984.db2.gz NHZFSFQZGLCXMM-CYBMUJFWSA-N 1 3 279.428 1.341 10 30 CDEEHO C#CCN1CCC(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000874844813 1165684586 /nfs/dbraw/zinc/68/45/86/1165684586.db2.gz TYRDHBACQPWAKR-HOTGVXAUSA-N 1 3 289.423 1.027 10 30 CDEEHO C#CCN1CCC(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000874844813 1165684590 /nfs/dbraw/zinc/68/45/90/1165684590.db2.gz TYRDHBACQPWAKR-HOTGVXAUSA-N 1 3 289.423 1.027 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001566814025 1168431387 /nfs/dbraw/zinc/43/13/87/1168431387.db2.gz VQCHOYJWPBJLNB-AJNGGQMLSA-N 1 3 277.412 1.119 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C ZINC001120811139 912552061 /nfs/dbraw/zinc/55/20/61/912552061.db2.gz XYGIJUKQNZSNTR-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001567475098 1168792341 /nfs/dbraw/zinc/79/23/41/1168792341.db2.gz BNECOCQXRKGSGT-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266362616 894568919 /nfs/dbraw/zinc/56/89/19/894568919.db2.gz NMQSQPWSRIDTOK-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001266431075 894841126 /nfs/dbraw/zinc/84/11/26/894841126.db2.gz JTDZKJSSSHCASY-HNNXBMFYSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCN1CC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001266533592 895255745 /nfs/dbraw/zinc/25/57/45/895255745.db2.gz MTGXIRYONLXTQP-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO CN(C)C(=[NH+]CCN(C)C1CCCCC1)N(C)C ZINC000261974589 896346509 /nfs/dbraw/zinc/34/65/09/896346509.db2.gz FGVSJORAKMUEIB-UHFFFAOYSA-N 1 3 254.422 1.730 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267070348 896686184 /nfs/dbraw/zinc/68/61/84/896686184.db2.gz LJTLTORQCRQSMT-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H](CC)N(C)C ZINC001481245557 899624706 /nfs/dbraw/zinc/62/47/06/899624706.db2.gz JWCPHTPYJQOAJM-CYBMUJFWSA-N 1 3 255.406 1.341 10 30 CDEEHO C#CCCN1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267792327 899739964 /nfs/dbraw/zinc/73/99/64/899739964.db2.gz YGCMJWXFSHJRQR-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)N(C)C ZINC001267826840 899825593 /nfs/dbraw/zinc/82/55/93/899825593.db2.gz CNFVZIVMLHTSEV-STQMWFEESA-N 1 3 255.406 1.243 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001268002349 900250693 /nfs/dbraw/zinc/25/06/93/900250693.db2.gz VNDIKXONJMQJGZ-ZIAGYGMSSA-N 1 3 269.433 1.491 10 30 CDEEHO CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2CC)C1 ZINC001279328932 902039106 /nfs/dbraw/zinc/03/91/06/902039106.db2.gz MZCRZDFNHFLSLZ-GPANFISMSA-N 1 3 291.439 1.463 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001270166266 904410755 /nfs/dbraw/zinc/41/07/55/904410755.db2.gz USNPXQKYZKSZAF-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001270992147 905527844 /nfs/dbraw/zinc/52/78/44/905527844.db2.gz SFHRHYWYKGJTRN-HNNXBMFYSA-N 1 3 267.417 1.342 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001482460774 905696785 /nfs/dbraw/zinc/69/67/85/905696785.db2.gz DUPKNPHWMJWMEQ-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001271676581 906588910 /nfs/dbraw/zinc/58/89/10/906588910.db2.gz JADCJSPRCKKTSC-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)N(C)C ZINC001483056197 909183844 /nfs/dbraw/zinc/18/38/44/909183844.db2.gz GIDLONJYDIISOA-HSBSLETESA-N 1 3 267.417 1.411 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001483448659 911131513 /nfs/dbraw/zinc/13/15/13/911131513.db2.gz XJXHNMGYEMFZLU-HUUCEWRRSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484347457 915656947 /nfs/dbraw/zinc/65/69/47/915656947.db2.gz IJAZRWSPNOXXDW-OLZOCXBDSA-N 1 3 276.384 1.355 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](NC(=O)CN(C)CCC)CC1 ZINC001484727522 916086061 /nfs/dbraw/zinc/08/60/61/916086061.db2.gz SUSWQMNUDOWDBL-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN(C)CCC)CC1 ZINC001484727522 916086076 /nfs/dbraw/zinc/08/60/76/916086076.db2.gz SUSWQMNUDOWDBL-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001485076934 916474908 /nfs/dbraw/zinc/47/49/08/916474908.db2.gz LNJBSWSUCGGEHG-HZPDHXFCSA-N 1 3 293.455 1.519 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001485076934 916474913 /nfs/dbraw/zinc/47/49/13/916474913.db2.gz LNJBSWSUCGGEHG-HZPDHXFCSA-N 1 3 293.455 1.519 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCN1CCC ZINC001485252880 916695747 /nfs/dbraw/zinc/69/57/47/916695747.db2.gz RPIQOZQGZGVTAH-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001485618651 917130853 /nfs/dbraw/zinc/13/08/53/917130853.db2.gz KYOYMRSVIUXQCG-QKDCVEJESA-N 1 3 293.455 1.444 10 30 CDEEHO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001485618651 917130859 /nfs/dbraw/zinc/13/08/59/917130859.db2.gz KYOYMRSVIUXQCG-QKDCVEJESA-N 1 3 293.455 1.444 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001485651790 917151749 /nfs/dbraw/zinc/15/17/49/917151749.db2.gz YHASITICNBLBJT-HUUCEWRRSA-N 1 3 297.443 1.108 10 30 CDEEHO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCC)C[C@H]2C1 ZINC001485656962 917164284 /nfs/dbraw/zinc/16/42/84/917164284.db2.gz HEKUMASHKWKJOE-HRCADAONSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCC)C[C@H]2C1 ZINC001485656962 917164300 /nfs/dbraw/zinc/16/43/00/917164300.db2.gz HEKUMASHKWKJOE-HRCADAONSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCC[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001485763473 917261297 /nfs/dbraw/zinc/26/12/97/917261297.db2.gz OPSVQRVQKFSZLH-OAHLLOKOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001485763473 917261309 /nfs/dbraw/zinc/26/13/09/917261309.db2.gz OPSVQRVQKFSZLH-OAHLLOKOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)N(C)C ZINC001489047715 926775675 /nfs/dbraw/zinc/77/56/75/926775675.db2.gz DGIDYAKZCJRARJ-ILXRZTDVSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)C(C)C ZINC001568450931 1169294616 /nfs/dbraw/zinc/29/46/16/1169294616.db2.gz FPTWPVMOWMTYNO-CABCVRRESA-N 1 3 279.428 1.223 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001274411991 931497927 /nfs/dbraw/zinc/49/79/27/931497927.db2.gz BYQWGOIXDFOORF-KXPUMZMLSA-N 1 3 291.439 1.536 10 30 CDEEHO C=CC[C@H](CO)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925627809 932917900 /nfs/dbraw/zinc/91/79/00/932917900.db2.gz ABPLQIZDZAYANB-CWRNSKLLSA-N 1 3 266.429 1.929 10 30 CDEEHO C=CCCCN(CC)CC(=O)NC1CC[NH+](C)CC1 ZINC000934648364 933963676 /nfs/dbraw/zinc/96/36/76/933963676.db2.gz YOJHOVIFPPATFJ-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])CCCCC#N ZINC000720886437 935266060 /nfs/dbraw/zinc/26/60/60/935266060.db2.gz GTFUDZOXCSDHJW-BFHYXJOUSA-N 1 3 278.400 1.093 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001280769677 942484780 /nfs/dbraw/zinc/48/47/80/942484780.db2.gz JJIKQBNRGDMZOB-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001280769677 942484785 /nfs/dbraw/zinc/48/47/85/942484785.db2.gz JJIKQBNRGDMZOB-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001282397328 942704140 /nfs/dbraw/zinc/70/41/40/942704140.db2.gz DCLJZTTUGCEWSI-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001282397328 942704146 /nfs/dbraw/zinc/70/41/46/942704146.db2.gz DCLJZTTUGCEWSI-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001283701994 942972762 /nfs/dbraw/zinc/97/27/62/942972762.db2.gz HKHRZDSQLSMIGU-UONOGXRCSA-N 1 3 269.433 1.729 10 30 CDEEHO C=CC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001284348392 943153539 /nfs/dbraw/zinc/15/35/39/943153539.db2.gz KCWNIQAIAYZDRX-ZDUSSCGKSA-N 1 3 267.417 1.339 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001263250972 943807010 /nfs/dbraw/zinc/80/70/10/943807010.db2.gz WJWYZUFWCMJDRV-MNOVXSKESA-N 1 3 259.781 1.105 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001263864519 944011855 /nfs/dbraw/zinc/01/18/55/944011855.db2.gz WHUWDZUIJATYEX-HDJSIYSDSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CCCN1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001264376954 944119427 /nfs/dbraw/zinc/11/94/27/944119427.db2.gz RHBHMULJVYLHHJ-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCCN1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001264376954 944119430 /nfs/dbraw/zinc/11/94/30/944119430.db2.gz RHBHMULJVYLHHJ-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001265089817 944225846 /nfs/dbraw/zinc/22/58/46/944225846.db2.gz RVNKGCRHJWDAPH-JSGCOSHPSA-N 1 3 276.384 1.497 10 30 CDEEHO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001265330166 944346232 /nfs/dbraw/zinc/34/62/32/944346232.db2.gz VBZLQQXYSHLNBZ-HUUCEWRRSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001265433733 944386617 /nfs/dbraw/zinc/38/66/17/944386617.db2.gz ICQJGJXLXGZPJA-AWEZNQCLSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CC[NH+]1CCC([C@H](C)NC(=O)CN(C)CCC)CC1 ZINC001279163943 944783415 /nfs/dbraw/zinc/78/34/15/944783415.db2.gz IWCDPMCESFWIKJ-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001278324094 946152676 /nfs/dbraw/zinc/15/26/76/946152676.db2.gz CICQKHNLSJXSCC-QWHCGFSZSA-N 1 3 253.390 1.092 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C1 ZINC001480168814 971611075 /nfs/dbraw/zinc/61/10/75/971611075.db2.gz ZLNVAPKXJFTEOE-JOCQHMNTSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001480173215 971612420 /nfs/dbraw/zinc/61/24/20/971612420.db2.gz BPACSRXCIQAPLM-BIQWYFBQSA-N 1 3 279.428 1.672 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCOCC1 ZINC001278728927 951944035 /nfs/dbraw/zinc/94/40/35/951944035.db2.gz XNTBJQKUGGELGX-CQSZACIVSA-N 1 3 297.443 1.158 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001493108757 971952156 /nfs/dbraw/zinc/95/21/56/971952156.db2.gz REEKNFMTOLJCCZ-CABCVRRESA-N 1 3 297.418 1.270 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001493108757 971952162 /nfs/dbraw/zinc/95/21/62/971952162.db2.gz REEKNFMTOLJCCZ-CABCVRRESA-N 1 3 297.418 1.270 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001493257825 971998389 /nfs/dbraw/zinc/99/83/89/971998389.db2.gz XBHZDWSJUBJGOM-ZDUSSCGKSA-N 1 3 276.384 1.275 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001493257825 971998397 /nfs/dbraw/zinc/99/83/97/971998397.db2.gz XBHZDWSJUBJGOM-ZDUSSCGKSA-N 1 3 276.384 1.275 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001297373685 955006933 /nfs/dbraw/zinc/00/69/33/955006933.db2.gz ZJNQPZMWRAAWNZ-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001297373685 955006943 /nfs/dbraw/zinc/00/69/43/955006943.db2.gz ZJNQPZMWRAAWNZ-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001328281412 955251100 /nfs/dbraw/zinc/25/11/00/955251100.db2.gz CPKMQWFPSPPFDF-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN(C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001491952903 955542485 /nfs/dbraw/zinc/54/24/85/955542485.db2.gz UDNVQLLRUCZMPG-OAHLLOKOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCN(C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001491952903 955542494 /nfs/dbraw/zinc/54/24/94/955542494.db2.gz UDNVQLLRUCZMPG-OAHLLOKOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H](CC)N(C)C)C(C)C ZINC001329741377 956093179 /nfs/dbraw/zinc/09/31/79/956093179.db2.gz HXNMJBJCEZDHAN-LSDHHAIUSA-N 1 3 281.444 1.423 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001316735040 956231095 /nfs/dbraw/zinc/23/10/95/956231095.db2.gz XIWUDMOQDFDPMB-XHSDSOJGSA-N 1 3 293.455 1.565 10 30 CDEEHO C=CC[N@H+](CC)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001316903828 957111755 /nfs/dbraw/zinc/11/17/55/957111755.db2.gz RGJTYDCMMIQCTF-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CC[N@@H+](CC)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001316903828 957111761 /nfs/dbraw/zinc/11/17/61/957111761.db2.gz RGJTYDCMMIQCTF-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCN1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001317180678 957326126 /nfs/dbraw/zinc/32/61/26/957326126.db2.gz LYXMHRVDAMBJNR-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001317348817 957433475 /nfs/dbraw/zinc/43/34/75/957433475.db2.gz CPPQGRINRCSJGK-GJZGRUSLSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CC[NH2+][C@H](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001317414578 957461289 /nfs/dbraw/zinc/46/12/89/957461289.db2.gz BJKPOIFSCJLAIO-CQSZACIVSA-N 1 3 287.407 1.479 10 30 CDEEHO CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001317678531 957636107 /nfs/dbraw/zinc/63/61/07/957636107.db2.gz FOZIJZYHAXYJFJ-GOEBONIOSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCN[C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001317722101 957646678 /nfs/dbraw/zinc/64/66/78/957646678.db2.gz NDDGBTHXYXBLMY-HNNXBMFYSA-N 1 3 275.396 1.571 10 30 CDEEHO C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001318525145 958154974 /nfs/dbraw/zinc/15/49/74/958154974.db2.gz URCAOLCUMRNDCC-GJZGRUSLSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001319946615 958806289 /nfs/dbraw/zinc/80/62/89/958806289.db2.gz ZSKGRVJZDFIGPS-AWEZNQCLSA-N 1 3 283.460 1.881 10 30 CDEEHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1CC ZINC001569343107 1169773767 /nfs/dbraw/zinc/77/37/67/1169773767.db2.gz PCTTVYYXCWRYQO-GJZGRUSLSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001495402869 972487731 /nfs/dbraw/zinc/48/77/31/972487731.db2.gz GBSFSBIUFUTWQN-INIZCTEOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001420079303 962455489 /nfs/dbraw/zinc/45/54/89/962455489.db2.gz KQSBYSSQIKKYCU-GXTWGEPZSA-N 1 3 299.846 1.565 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001569543404 1169917408 /nfs/dbraw/zinc/91/74/08/1169917408.db2.gz CTVCXTAUOBMAGC-HNNXBMFYSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001569689748 1169967361 /nfs/dbraw/zinc/96/73/61/1169967361.db2.gz GSJBLFHBEYAJPD-HIFRSBDPSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501395318 974578886 /nfs/dbraw/zinc/57/88/86/974578886.db2.gz LYUXWUYRAHAEJB-LSDHHAIUSA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001501962038 974664669 /nfs/dbraw/zinc/66/46/69/974664669.db2.gz QDGCJJDDGKIXGQ-UHFFFAOYSA-N 1 3 277.412 1.123 10 30 CDEEHO C=CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCN1C)C(C)C ZINC001506158223 975117225 /nfs/dbraw/zinc/11/72/25/975117225.db2.gz FXVLCHNNKKMFCT-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CCC)C1 ZINC001507419570 975461419 /nfs/dbraw/zinc/46/14/19/975461419.db2.gz VEMJVARPJLJCEQ-GJZGRUSLSA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(C)CC[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001677445173 1174361450 /nfs/dbraw/zinc/36/14/50/1174361450.db2.gz NNSGPEDCBWZZAV-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[C@H]1CC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000651720796 398165493 /nfs/dbraw/zinc/16/54/93/398165493.db2.gz KXICETWIPGUSPD-KBPBESRZSA-N 1 3 252.402 1.778 10 30 CDEEHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCCC#N)CC[N@@H+]1C ZINC000594437388 342905870 /nfs/dbraw/zinc/90/58/70/342905870.db2.gz BQZMJVUBGZMKCG-MGPQQGTHSA-N 1 3 280.416 1.339 10 30 CDEEHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCCC#N)CC[N@H+]1C ZINC000594437388 342905871 /nfs/dbraw/zinc/90/58/71/342905871.db2.gz BQZMJVUBGZMKCG-MGPQQGTHSA-N 1 3 280.416 1.339 10 30 CDEEHO C[C@H](CNC(=O)[C@H](N)CCCCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000594440627 342907039 /nfs/dbraw/zinc/90/70/39/342907039.db2.gz HDCDBZRBCAREJJ-RBSFLKMASA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@H](CNC(=O)[C@H](N)CCCCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000594440627 342907040 /nfs/dbraw/zinc/90/70/40/342907040.db2.gz HDCDBZRBCAREJJ-RBSFLKMASA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC(C)(C)C#N ZINC000597942716 343674405 /nfs/dbraw/zinc/67/44/05/343674405.db2.gz MBORBVOKTDPCEX-ZDUSSCGKSA-N 1 3 282.432 1.314 10 30 CDEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC(C)(C)C#N ZINC000597942716 343674406 /nfs/dbraw/zinc/67/44/06/343674406.db2.gz MBORBVOKTDPCEX-ZDUSSCGKSA-N 1 3 282.432 1.314 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001661655071 1172421969 /nfs/dbraw/zinc/42/19/69/1172421969.db2.gz WZHPPQIXQZRPSK-FPCVCCKLSA-N 1 3 293.455 1.920 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001662871957 1172605332 /nfs/dbraw/zinc/60/53/32/1172605332.db2.gz BLQUCDBAQSWSMS-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001662871957 1172605338 /nfs/dbraw/zinc/60/53/38/1172605338.db2.gz BLQUCDBAQSWSMS-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO N#CCCOCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000339044928 391244958 /nfs/dbraw/zinc/24/49/58/391244958.db2.gz QNTOROFKMMGVIP-HOCLYGCPSA-N 1 3 277.412 1.865 10 30 CDEEHO N#CCCOCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000339044928 391244962 /nfs/dbraw/zinc/24/49/62/391244962.db2.gz QNTOROFKMMGVIP-HOCLYGCPSA-N 1 3 277.412 1.865 10 30 CDEEHO C=CC[NH+]1CCC(NC(=O)[C@@H](CCC)N(C)C)CC1 ZINC000179229141 391768799 /nfs/dbraw/zinc/76/87/99/391768799.db2.gz FEJZUAZECNJEOA-CQSZACIVSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001663633468 1172737813 /nfs/dbraw/zinc/73/78/13/1172737813.db2.gz GHAPDVSZXNBTKM-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001663633468 1172737821 /nfs/dbraw/zinc/73/78/21/1172737821.db2.gz GHAPDVSZXNBTKM-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000662700340 413338814 /nfs/dbraw/zinc/33/88/14/413338814.db2.gz HLXZIXQZMJZBPK-UKRRQHHQSA-N 1 3 265.401 1.143 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001667492800 1173275002 /nfs/dbraw/zinc/27/50/02/1173275002.db2.gz DDNBDPQPFBZBPV-LSDHHAIUSA-N 1 3 281.444 1.635 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001672911169 1173809163 /nfs/dbraw/zinc/80/91/63/1173809163.db2.gz QSPCMVOXVYGGMU-AWEZNQCLSA-N 1 3 265.401 1.096 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001673877126 1173894122 /nfs/dbraw/zinc/89/41/22/1173894122.db2.gz DQMAGZAVXHMISB-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO CC(C)CN1CCC[C@@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262477971 330016414 /nfs/dbraw/zinc/01/64/14/330016414.db2.gz QPOOWELWYHQNTM-ZIAGYGMSSA-N 1 3 282.432 1.142 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CC12CCCC2 ZINC000263270286 330051323 /nfs/dbraw/zinc/05/13/23/330051323.db2.gz OYZOCQAENICIFY-QWHCGFSZSA-N 1 3 264.417 1.708 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001690862465 1175593706 /nfs/dbraw/zinc/59/37/06/1175593706.db2.gz FMIRKEUGPZTGSA-ZIAGYGMSSA-N 1 3 267.417 1.389 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268414036 1159932135 /nfs/dbraw/zinc/93/21/35/1159932135.db2.gz QCOCUNQLHBIISO-KBPBESRZSA-N 1 3 269.433 1.633 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001716532133 1180271669 /nfs/dbraw/zinc/27/16/69/1180271669.db2.gz BOICPGJXBLZUNG-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO CC[NH+](CC)[C@H]1CCN(Cc2ccccc2C#CCN)C1 ZINC000062967853 520874581 /nfs/dbraw/zinc/87/45/81/520874581.db2.gz KHJQQKTVGQZXQL-SFHVURJKSA-N 1 3 285.435 1.913 10 30 CDEEHO CCCN(CCO)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609658 521667101 /nfs/dbraw/zinc/66/71/01/521667101.db2.gz RGECPDBODMJMOX-UHFFFAOYSA-N 1 3 276.380 1.210 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001266601959 1158653284 /nfs/dbraw/zinc/65/32/84/1158653284.db2.gz QWFCRIIVDHOLHW-JHJVBQTASA-N 1 3 253.390 1.140 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001691167336 1158941817 /nfs/dbraw/zinc/94/18/17/1158941817.db2.gz TYGCXBBJHQGFPI-KKUMJFAQSA-N 1 3 279.428 1.389 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](N)c1ccccc1OC ZINC000876505967 1165859211 /nfs/dbraw/zinc/85/92/11/1165859211.db2.gz DITHHEUYOOTJOR-NEPJUHHUSA-N 1 3 297.786 1.281 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000876510971 1165860558 /nfs/dbraw/zinc/86/05/58/1165860558.db2.gz ZGJDBCAKKAXGAV-GARJFASQSA-N 1 3 259.781 1.185 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000877425535 1166034747 /nfs/dbraw/zinc/03/47/47/1166034747.db2.gz CTDQMDDSWOQEIR-WCQYABFASA-N 1 3 293.798 1.936 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001566711859 1168396582 /nfs/dbraw/zinc/39/65/82/1168396582.db2.gz WRZPBDBAJNBJQO-ZDUSSCGKSA-N 1 3 265.401 1.141 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001566775386 1168417219 /nfs/dbraw/zinc/41/72/19/1168417219.db2.gz BVJBFBZBAGDZCR-INIZCTEOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001566906097 1168461681 /nfs/dbraw/zinc/46/16/81/1168461681.db2.gz VUCKIMNWNWZABU-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C[C@H](CC#N)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001647287938 1168528064 /nfs/dbraw/zinc/52/80/64/1168528064.db2.gz OOBOIIDXYVFLNZ-CYBMUJFWSA-N 1 3 292.427 1.211 10 30 CDEEHO C=CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001567971216 1169101604 /nfs/dbraw/zinc/10/16/04/1169101604.db2.gz ATMJSSRVDXLNCU-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]C[C@H](F)CC)CC1 ZINC001569038084 1169607113 /nfs/dbraw/zinc/60/71/13/1169607113.db2.gz HBQUMXFILBRTPH-UKRRQHHQSA-N 1 3 297.418 1.174 10 30 CDEEHO C=C(C)CC[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001570564240 1170190173 /nfs/dbraw/zinc/19/01/73/1170190173.db2.gz SAXQPBPYTKXOLT-UHFFFAOYSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCC[NH2+]CCN(CC)C(=O)CN1CCC(C)CC1 ZINC001668596963 1173430940 /nfs/dbraw/zinc/43/09/40/1173430940.db2.gz NYNJKJCEXQYUCV-UHFFFAOYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001690866904 1175595240 /nfs/dbraw/zinc/59/52/40/1175595240.db2.gz FFOAVWPPYFCPGU-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001691917105 1175651879 /nfs/dbraw/zinc/65/18/79/1175651879.db2.gz FTNZXCYAUYAYIZ-OWCLPIDISA-N 1 3 291.439 1.226 10 30 CDEEHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001699681852 1176567522 /nfs/dbraw/zinc/56/75/22/1176567522.db2.gz CMMQPTOWJICSNE-CABCVRRESA-N 1 3 279.428 1.580 10 30 CDEEHO C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001700015530 1176719877 /nfs/dbraw/zinc/71/98/77/1176719877.db2.gz DPFXIKIVALURMB-GJZGRUSLSA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001700015530 1176719882 /nfs/dbraw/zinc/71/98/82/1176719882.db2.gz DPFXIKIVALURMB-GJZGRUSLSA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001700088278 1176744153 /nfs/dbraw/zinc/74/41/53/1176744153.db2.gz RXDIJANGBIJKKH-HOTGVXAUSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001700203924 1176797845 /nfs/dbraw/zinc/79/78/45/1176797845.db2.gz WCGAYDGIMRFNRU-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001700203924 1176797848 /nfs/dbraw/zinc/79/78/48/1176797848.db2.gz WCGAYDGIMRFNRU-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+]C[C@H](CCCC)NC(=O)CN1CC[C@H](C)C1 ZINC001700520775 1176993729 /nfs/dbraw/zinc/99/37/29/1176993729.db2.gz PXGUPNHWYGXLDA-HOTGVXAUSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CCN1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001700870115 1177171463 /nfs/dbraw/zinc/17/14/63/1177171463.db2.gz YRTFROOLSJQZKV-WBVHZDCISA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001713175428 1178413553 /nfs/dbraw/zinc/41/35/53/1178413553.db2.gz BWPXJNARQYVROJ-KKUMJFAQSA-N 1 3 277.412 1.121 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001713362296 1178521366 /nfs/dbraw/zinc/52/13/66/1178521366.db2.gz VZIWCIUSECXUBF-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCN1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714020835 1178930104 /nfs/dbraw/zinc/93/01/04/1178930104.db2.gz LEXDRPIGSNWXDU-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001714043001 1178944889 /nfs/dbraw/zinc/94/48/89/1178944889.db2.gz KWTVFHCVNNKNFB-HUUCEWRRSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001714043001 1178944893 /nfs/dbraw/zinc/94/48/93/1178944893.db2.gz KWTVFHCVNNKNFB-HUUCEWRRSA-N 1 3 279.428 1.342 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](CC)CNC(=O)CN1CC[C@H](C)C1 ZINC001715081573 1179544287 /nfs/dbraw/zinc/54/42/87/1179544287.db2.gz OBMVLCKIJMFCAC-GJZGRUSLSA-N 1 3 281.444 1.779 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001715318921 1179620777 /nfs/dbraw/zinc/62/07/77/1179620777.db2.gz ZEWIHERUXFVDOC-KGLIPLIRSA-N 1 3 288.395 1.192 10 30 CDEEHO CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001716179691 1180085515 /nfs/dbraw/zinc/08/55/15/1180085515.db2.gz ZBSZXXKEIBNXJJ-HOTGVXAUSA-N 1 3 293.455 1.757 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001716681678 1180366352 /nfs/dbraw/zinc/36/63/52/1180366352.db2.gz UUPDCEOIMCKYLX-AWEZNQCLSA-N 1 3 277.412 1.121 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001716974205 1180487105 /nfs/dbraw/zinc/48/71/05/1180487105.db2.gz XGEAEKZMTJISEW-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001717476836 1180696651 /nfs/dbraw/zinc/69/66/51/1180696651.db2.gz UPIYBWBWQIBHNZ-KGLIPLIRSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001717476836 1180696654 /nfs/dbraw/zinc/69/66/54/1180696654.db2.gz UPIYBWBWQIBHNZ-KGLIPLIRSA-N 1 3 269.433 1.585 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001717886893 1180914238 /nfs/dbraw/zinc/91/42/38/1180914238.db2.gz IUCWEQYYKPOGMQ-HUUCEWRRSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCC[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001717996747 1180962328 /nfs/dbraw/zinc/96/23/28/1180962328.db2.gz QQUSOCQOOACFRO-WLYUNCDWSA-N 1 3 279.428 1.483 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001724109942 1181637401 /nfs/dbraw/zinc/63/74/01/1181637401.db2.gz OIBSTASRDURXQO-OAHLLOKOSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCC[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001725167176 1181900228 /nfs/dbraw/zinc/90/02/28/1181900228.db2.gz UZFYSAYSISSBLZ-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001725167176 1181900233 /nfs/dbraw/zinc/90/02/33/1181900233.db2.gz UZFYSAYSISSBLZ-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CCN[C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001725600510 1182068030 /nfs/dbraw/zinc/06/80/30/1182068030.db2.gz WRCVDCNSCCYNME-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN[C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001725600510 1182068036 /nfs/dbraw/zinc/06/80/36/1182068036.db2.gz WRCVDCNSCCYNME-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001731965961 1182703875 /nfs/dbraw/zinc/70/38/75/1182703875.db2.gz BKWWNKYRJNKQGY-UHFFFAOYSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001733287786 1183379448 /nfs/dbraw/zinc/37/94/48/1183379448.db2.gz HSWHAOVTCAGLCN-KRWDZBQOSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001733287786 1183379452 /nfs/dbraw/zinc/37/94/52/1183379452.db2.gz HSWHAOVTCAGLCN-KRWDZBQOSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001734120153 1183666762 /nfs/dbraw/zinc/66/67/62/1183666762.db2.gz NHZFSFQZGLCXMM-ZDUSSCGKSA-N 1 3 279.428 1.341 10 30 CDEEHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001734294946 1183716763 /nfs/dbraw/zinc/71/67/63/1183716763.db2.gz HYTHUPYCUYCDCC-OAHLLOKOSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001771857963 1184776785 /nfs/dbraw/zinc/77/67/85/1184776785.db2.gz VGGAGQPNDZILAJ-SDDRHHMPSA-N 1 3 273.808 1.445 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001481111714 898877628 /nfs/dbraw/zinc/87/76/28/898877628.db2.gz JWVHTPIWFFPHMU-OAHLLOKOSA-N 1 3 295.471 1.979 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001481111714 898877637 /nfs/dbraw/zinc/87/76/37/898877637.db2.gz JWVHTPIWFFPHMU-OAHLLOKOSA-N 1 3 295.471 1.979 10 30 CDEEHO CC#CC[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCC1 ZINC001267846805 899862454 /nfs/dbraw/zinc/86/24/54/899862454.db2.gz LIPPHTNDJMVMKI-UHFFFAOYSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CC[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268002664 900249256 /nfs/dbraw/zinc/24/92/56/900249256.db2.gz BZVOIVHVWUEMJO-BBRMVZONSA-N 1 3 297.418 1.174 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001481340131 900454064 /nfs/dbraw/zinc/45/40/64/900454064.db2.gz OPTPQBZEUHRKCQ-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001268084243 901149695 /nfs/dbraw/zinc/14/96/95/901149695.db2.gz MXBUNSSKUWBLPD-CHWSQXEVSA-N 1 3 255.406 1.195 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001268161022 901454327 /nfs/dbraw/zinc/45/43/27/901454327.db2.gz NIZAFXXEMPLFSW-HNNXBMFYSA-N 1 3 290.411 1.889 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C ZINC001268440127 902060308 /nfs/dbraw/zinc/06/03/08/902060308.db2.gz WWDYVWGYMXYLAK-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001482058522 902569308 /nfs/dbraw/zinc/56/93/08/902569308.db2.gz KRJCDEBHFJRGRX-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558166 903930045 /nfs/dbraw/zinc/93/00/45/903930045.db2.gz WZAURMSNMJWJCM-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CCC)CC1 ZINC001270604838 904784101 /nfs/dbraw/zinc/78/41/01/904784101.db2.gz SFPZZPQKRANLSX-CQSZACIVSA-N 1 3 279.428 1.084 10 30 CDEEHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001270829846 905111786 /nfs/dbraw/zinc/11/17/86/905111786.db2.gz NKRPSMKEVMHSAT-DOTOQJQBSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001271100791 905648541 /nfs/dbraw/zinc/64/85/41/905648541.db2.gz IQSHHSHREWZGNG-CQSZACIVSA-N 1 3 283.460 1.977 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001273571741 921220133 /nfs/dbraw/zinc/22/01/33/921220133.db2.gz LNENYHDFENBBLB-UHFFFAOYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001273571741 921220138 /nfs/dbraw/zinc/22/01/38/921220138.db2.gz LNENYHDFENBBLB-UHFFFAOYSA-N 1 3 281.444 1.685 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001271402431 906304609 /nfs/dbraw/zinc/30/46/09/906304609.db2.gz FBIWYZHVPKPJLE-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)C[NH2+]CCN(CC)C(=O)CN(C)C(C)C ZINC001482970235 908555384 /nfs/dbraw/zinc/55/53/84/908555384.db2.gz PQYIFZKLONQQKT-UHFFFAOYSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CCC[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001272172622 908663704 /nfs/dbraw/zinc/66/37/04/908663704.db2.gz POZBXVGVDHZHTK-UHFFFAOYSA-N 1 3 253.390 1.049 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001272172622 908663698 /nfs/dbraw/zinc/66/36/98/908663698.db2.gz POZBXVGVDHZHTK-UHFFFAOYSA-N 1 3 253.390 1.049 10 30 CDEEHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001484124473 915449266 /nfs/dbraw/zinc/44/92/66/915449266.db2.gz YZSRFCRDKCMZEJ-MRXNPFEDSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485343554 916858899 /nfs/dbraw/zinc/85/88/99/916858899.db2.gz GSYGKVKCDJFXQR-MJBXVCDLSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485343554 916858908 /nfs/dbraw/zinc/85/89/08/916858908.db2.gz GSYGKVKCDJFXQR-MJBXVCDLSA-N 1 3 267.417 1.339 10 30 CDEEHO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001485960705 920627762 /nfs/dbraw/zinc/62/77/62/920627762.db2.gz KNLKFGSROQSQPQ-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491161259 936867491 /nfs/dbraw/zinc/86/74/91/936867491.db2.gz VYVBTEMNQWKPQU-CVEARBPZSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001491251733 936884175 /nfs/dbraw/zinc/88/41/75/936884175.db2.gz ASEMKLPJQRZZMY-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[NH2+]C1(CC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001273789366 925885305 /nfs/dbraw/zinc/88/53/05/925885305.db2.gz HBWHYVXEHJMLBN-UHFFFAOYSA-N 1 3 290.411 1.889 10 30 CDEEHO C=C(C[NH+](C)C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001136800460 931370696 /nfs/dbraw/zinc/37/06/96/931370696.db2.gz XWNUDWGZMMSHNG-UHFFFAOYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001274753673 931567820 /nfs/dbraw/zinc/56/78/20/931567820.db2.gz XYTMRPHMCWWMRA-CHWSQXEVSA-N 1 3 253.390 1.140 10 30 CDEEHO C#CC[NH2+][C@H](CCN(C)C(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001276147680 932567160 /nfs/dbraw/zinc/56/71/60/932567160.db2.gz TWMVBXLARSXUSX-CVEARBPZSA-N 1 3 295.471 1.669 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001121922822 937890728 /nfs/dbraw/zinc/89/07/28/937890728.db2.gz PUJJCBPTCMYJSF-ILXRZTDVSA-N 1 3 281.444 1.859 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001121922822 937890730 /nfs/dbraw/zinc/89/07/30/937890730.db2.gz PUJJCBPTCMYJSF-ILXRZTDVSA-N 1 3 281.444 1.859 10 30 CDEEHO CC#CCNCCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001568765548 1169468192 /nfs/dbraw/zinc/46/81/92/1169468192.db2.gz QENYVGWOOJEEOT-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=C(C)C[NH2+]CC1CC(NC(=O)CN(C)CCC)C1 ZINC001282075969 942655060 /nfs/dbraw/zinc/65/50/60/942655060.db2.gz MSAPOBISLXKMOC-UHFFFAOYSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CC[NH2+]CC1(NC(=O)CN(C)CCC)CCCCC1 ZINC001282627508 942733169 /nfs/dbraw/zinc/73/31/69/942733169.db2.gz PCDMZHGMQLKPQS-UHFFFAOYSA-N 1 3 281.444 1.923 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001316625636 942877054 /nfs/dbraw/zinc/87/70/54/942877054.db2.gz VYFSFPUKKCNYKA-HRCADAONSA-N 1 3 293.455 1.779 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001316635866 943286849 /nfs/dbraw/zinc/28/68/49/943286849.db2.gz HORMVHLWEWYOSP-IHRRRGAJSA-N 1 3 267.417 1.387 10 30 CDEEHO CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001264682455 944162259 /nfs/dbraw/zinc/16/22/59/944162259.db2.gz XRUFKMKDOHVZKB-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001265193409 944267733 /nfs/dbraw/zinc/26/77/33/944267733.db2.gz HGZJXKSDXRSSFU-INIZCTEOSA-N 1 3 293.455 1.519 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001265378161 944365156 /nfs/dbraw/zinc/36/51/56/944365156.db2.gz HTRIZYNDEPJVNY-ZIAGYGMSSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001265540087 944421692 /nfs/dbraw/zinc/42/16/92/944421692.db2.gz FTLYKNSUHQWDNW-GASCZTMLSA-N 1 3 291.439 1.511 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001265613808 944447284 /nfs/dbraw/zinc/44/72/84/944447284.db2.gz WRCHXYMFBNUHRY-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001266040985 944651452 /nfs/dbraw/zinc/65/14/52/944651452.db2.gz PTGXPASQCXABJQ-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]C1CC(N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001279315307 944793278 /nfs/dbraw/zinc/79/32/78/944793278.db2.gz GUFLBRUGCWJHLE-BPCQOVAHSA-N 1 3 253.390 1.092 10 30 CDEEHO C=CCN1CCC(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC001262571283 946721958 /nfs/dbraw/zinc/72/19/58/946721958.db2.gz QIIWPPQQNKWAMS-CYBMUJFWSA-N 1 3 280.416 1.016 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001569031698 1169603947 /nfs/dbraw/zinc/60/39/47/1169603947.db2.gz TXNSHJGYXUOQRH-CHWSQXEVSA-N 1 3 255.406 1.243 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001480233696 971640314 /nfs/dbraw/zinc/64/03/14/971640314.db2.gz NBBTZIQQUFDBHH-BETUJISGSA-N 1 3 287.835 1.708 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001480233696 971640316 /nfs/dbraw/zinc/64/03/16/971640316.db2.gz NBBTZIQQUFDBHH-BETUJISGSA-N 1 3 287.835 1.708 10 30 CDEEHO C=C(C)C[NH2+]CC1(NC(=O)CN(C)C(C)C)CCOCC1 ZINC001327670927 954991880 /nfs/dbraw/zinc/99/18/80/954991880.db2.gz BVUHTHHRCQOBPV-UHFFFAOYSA-N 1 3 297.443 1.158 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001331615658 957170154 /nfs/dbraw/zinc/17/01/54/957170154.db2.gz LTFSUDWHTUXVNM-CHWSQXEVSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001317126941 957290842 /nfs/dbraw/zinc/29/08/42/957290842.db2.gz BPACSRXCIQAPLM-ZQDZILKHSA-N 1 3 279.428 1.672 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001495361608 972482616 /nfs/dbraw/zinc/48/26/16/972482616.db2.gz ZMODCQOWJSSKBN-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001341716579 963520049 /nfs/dbraw/zinc/52/00/49/963520049.db2.gz IVAYWPYTLIDJNT-IHRRRGAJSA-N 1 3 267.417 1.611 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001341716579 963520057 /nfs/dbraw/zinc/52/00/57/963520057.db2.gz IVAYWPYTLIDJNT-IHRRRGAJSA-N 1 3 267.417 1.611 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001480624785 970081667 /nfs/dbraw/zinc/08/16/67/970081667.db2.gz UYKZHZJNWKAIGB-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001498504661 973952793 /nfs/dbraw/zinc/95/27/93/973952793.db2.gz PASAGJVTNXRCHN-GJZGRUSLSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001500292436 974415801 /nfs/dbraw/zinc/41/58/01/974415801.db2.gz JGEKHRQPCFUELK-MRXNPFEDSA-N 1 3 279.428 1.629 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001503583492 974825093 /nfs/dbraw/zinc/82/50/93/974825093.db2.gz POGXFGNDFHYNRH-UONOGXRCSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001507026233 975298951 /nfs/dbraw/zinc/29/89/51/975298951.db2.gz ARUOXRUFRJMBMI-UKRRQHHQSA-N 1 3 279.428 1.341 10 30 CDEEHO C=C(C)CN(C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001507863151 975552983 /nfs/dbraw/zinc/55/29/83/975552983.db2.gz PCKNUROODSTDMO-HNNXBMFYSA-N 1 3 281.444 1.683 10 30 CDEEHO C=C(C)CN(C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001507863151 975552994 /nfs/dbraw/zinc/55/29/94/975552994.db2.gz PCKNUROODSTDMO-HNNXBMFYSA-N 1 3 281.444 1.683 10 30 CDEEHO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001656386397 1171815609 /nfs/dbraw/zinc/81/56/09/1171815609.db2.gz RWGNMUDPGAGQLQ-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CC[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000651720797 398165487 /nfs/dbraw/zinc/16/54/87/398165487.db2.gz KXICETWIPGUSPD-KGLIPLIRSA-N 1 3 252.402 1.778 10 30 CDEEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](N)CCCCC#N ZINC000594439247 342906549 /nfs/dbraw/zinc/90/65/49/342906549.db2.gz UMHGTAMISBUNAV-MGPQQGTHSA-N 1 3 278.400 1.093 10 30 CDEEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](N)CCCCC#N ZINC000594439247 342906550 /nfs/dbraw/zinc/90/65/50/342906550.db2.gz UMHGTAMISBUNAV-MGPQQGTHSA-N 1 3 278.400 1.093 10 30 CDEEHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594441925 342907705 /nfs/dbraw/zinc/90/77/05/342907705.db2.gz YPZRJKXVYAPPTH-OAHLLOKOSA-N 1 3 294.443 1.729 10 30 CDEEHO CN1CCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123696555 347659698 /nfs/dbraw/zinc/65/96/98/347659698.db2.gz XWOYZSRLUQOUNF-AWEZNQCLSA-N 1 3 283.379 1.637 10 30 CDEEHO C=CC[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000629650147 363250155 /nfs/dbraw/zinc/25/01/55/363250155.db2.gz PIDZUWFOMXYAAO-KBPBESRZSA-N 1 3 265.401 1.082 10 30 CDEEHO C=CC[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000629650147 363250159 /nfs/dbraw/zinc/25/01/59/363250159.db2.gz PIDZUWFOMXYAAO-KBPBESRZSA-N 1 3 265.401 1.082 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001660476877 1172218142 /nfs/dbraw/zinc/21/81/42/1172218142.db2.gz ZOVBFXLSPAEQOW-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C[NH+](C)CCNc1cc(Nc2cnc(C#N)cn2)ncc1N ZINC000098178650 358756327 /nfs/dbraw/zinc/75/63/27/358756327.db2.gz YXZPTTJDOPURBJ-UHFFFAOYSA-N 1 3 298.354 1.043 10 30 CDEEHO C=CCNC(=O)[C@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759610 364821088 /nfs/dbraw/zinc/82/10/88/364821088.db2.gz DNPWIYZUDXVGMC-ZDUSSCGKSA-N 1 3 265.401 1.095 10 30 CDEEHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000528408263 367830398 /nfs/dbraw/zinc/83/03/98/367830398.db2.gz SSIBXYVREXJESR-RBSFLKMASA-N 1 3 277.412 1.457 10 30 CDEEHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000528408263 367830400 /nfs/dbraw/zinc/83/04/00/367830400.db2.gz SSIBXYVREXJESR-RBSFLKMASA-N 1 3 277.412 1.457 10 30 CDEEHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000528408263 367830402 /nfs/dbraw/zinc/83/04/02/367830402.db2.gz SSIBXYVREXJESR-RBSFLKMASA-N 1 3 277.412 1.457 10 30 CDEEHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000528408263 367830405 /nfs/dbraw/zinc/83/04/05/367830405.db2.gz SSIBXYVREXJESR-RBSFLKMASA-N 1 3 277.412 1.457 10 30 CDEEHO C=CCN1CCC(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000417528431 377878166 /nfs/dbraw/zinc/87/81/66/377878166.db2.gz ONBIFGLGDFSGRC-OAHLLOKOSA-N 1 3 292.427 1.173 10 30 CDEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001664443093 1172854695 /nfs/dbraw/zinc/85/46/95/1172854695.db2.gz RNQPSIYAUOVZEE-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO CN1CC[C@H](C[N@H+](C)Cc2cccc(C#CCO)c2)C1 ZINC000071190503 176066289 /nfs/dbraw/zinc/06/62/89/176066289.db2.gz WHXBKRUGYKTAMF-KRWDZBQOSA-N 1 3 272.392 1.414 10 30 CDEEHO CN1CC[C@H](C[N@@H+](C)Cc2cccc(C#CCO)c2)C1 ZINC000071190503 176066291 /nfs/dbraw/zinc/06/62/91/176066291.db2.gz WHXBKRUGYKTAMF-KRWDZBQOSA-N 1 3 272.392 1.414 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653117869 424304555 /nfs/dbraw/zinc/30/45/55/424304555.db2.gz XXMCLRLGBIFQLW-GJZGRUSLSA-N 1 3 277.412 1.284 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001673492179 1173864716 /nfs/dbraw/zinc/86/47/16/1173864716.db2.gz ZENNKYVOELFWNJ-HZPDHXFCSA-N 1 3 293.455 1.663 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001267046491 1159098018 /nfs/dbraw/zinc/09/80/18/1159098018.db2.gz DPQDQXCNHRGCLU-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262506398 330018613 /nfs/dbraw/zinc/01/86/13/330018613.db2.gz ZZBFYUOFSNSQLJ-BFHYXJOUSA-N 1 3 264.417 1.530 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001670793824 1159856313 /nfs/dbraw/zinc/85/63/13/1159856313.db2.gz XNUNNULPRRGFLU-CQSZACIVSA-N 1 3 277.412 1.123 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001670793824 1159856321 /nfs/dbraw/zinc/85/63/21/1159856321.db2.gz XNUNNULPRRGFLU-CQSZACIVSA-N 1 3 277.412 1.123 10 30 CDEEHO C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001268364277 1159902635 /nfs/dbraw/zinc/90/26/35/1159902635.db2.gz BZBDLWKZGSKJMD-CABCVRRESA-N 1 3 279.428 1.367 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001716482857 1180244367 /nfs/dbraw/zinc/24/43/67/1180244367.db2.gz SGVXSKWGGNCRJN-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001716482857 1180244370 /nfs/dbraw/zinc/24/43/70/1180244370.db2.gz SGVXSKWGGNCRJN-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001725183592 1181910817 /nfs/dbraw/zinc/91/08/17/1181910817.db2.gz WCGXNMLDRQQPBQ-CQSZACIVSA-N 1 3 283.460 1.977 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001725183592 1181910824 /nfs/dbraw/zinc/91/08/24/1181910824.db2.gz WCGXNMLDRQQPBQ-CQSZACIVSA-N 1 3 283.460 1.977 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000907764724 627822810 /nfs/dbraw/zinc/82/28/10/627822810.db2.gz ZZMBJAAVLGMLRI-OAHLLOKOSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000876734045 679450866 /nfs/dbraw/zinc/45/08/66/679450866.db2.gz NXZIQSAQFPOIJK-VXGBXAGGSA-N 1 3 273.808 1.303 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000876734045 679450869 /nfs/dbraw/zinc/45/08/69/679450869.db2.gz NXZIQSAQFPOIJK-VXGBXAGGSA-N 1 3 273.808 1.303 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000876774603 677813648 /nfs/dbraw/zinc/81/36/48/677813648.db2.gz AWZZBSPAOFLNGD-ZIAGYGMSSA-N 1 3 299.846 1.647 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000876774603 677813650 /nfs/dbraw/zinc/81/36/50/677813650.db2.gz AWZZBSPAOFLNGD-ZIAGYGMSSA-N 1 3 299.846 1.647 10 30 CDEEHO C#CC[C@@H](Cc1ccccc1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000819304066 677889323 /nfs/dbraw/zinc/88/93/23/677889323.db2.gz BUJSVDMLRAIKPT-WMZOPIPTSA-N 1 3 286.419 1.666 10 30 CDEEHO C#CC[C@@H](Cc1ccccc1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000819304066 677889326 /nfs/dbraw/zinc/88/93/26/677889326.db2.gz BUJSVDMLRAIKPT-WMZOPIPTSA-N 1 3 286.419 1.666 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000877452289 678571953 /nfs/dbraw/zinc/57/19/53/678571953.db2.gz WJPLAAJDAJPTKA-SDDRHHMPSA-N 1 3 271.792 1.151 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000877452289 678571955 /nfs/dbraw/zinc/57/19/55/678571955.db2.gz WJPLAAJDAJPTKA-SDDRHHMPSA-N 1 3 271.792 1.151 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000876772506 678572706 /nfs/dbraw/zinc/57/27/06/678572706.db2.gz OKIIAXVESUJSPS-DRZSPHRISA-N 1 3 287.835 1.645 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000876772506 678572711 /nfs/dbraw/zinc/57/27/11/678572711.db2.gz OKIIAXVESUJSPS-DRZSPHRISA-N 1 3 287.835 1.645 10 30 CDEEHO C[C@@H]1CCC[C@](CNC(=[NH2+])NC[C@@H]2CCCO2)(N(C)C)C1 ZINC000066245702 678689036 /nfs/dbraw/zinc/68/90/36/678689036.db2.gz PIHBGJCDFLIXPR-YCPHGPKFSA-N 1 3 296.459 1.580 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000876876865 679105759 /nfs/dbraw/zinc/10/57/59/679105759.db2.gz WFVRNNLSHJRUTJ-DGCLKSJQSA-N 1 3 287.835 1.645 10 30 CDEEHO C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315440 679371277 /nfs/dbraw/zinc/37/12/77/679371277.db2.gz MHWIDZSIQQFVQY-ZBFHGGJFSA-N 1 3 277.412 1.459 10 30 CDEEHO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315440 679371279 /nfs/dbraw/zinc/37/12/79/679371279.db2.gz MHWIDZSIQQFVQY-ZBFHGGJFSA-N 1 3 277.412 1.459 10 30 CDEEHO 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C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001267988514 900207434 /nfs/dbraw/zinc/20/74/34/900207434.db2.gz UJZYSXDBRKFFGA-CABCVRRESA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)CN(C)CCC)C(C)C ZINC001268223866 901599178 /nfs/dbraw/zinc/59/91/78/901599178.db2.gz QSQZGXMWAYNWGT-AWEZNQCLSA-N 1 3 267.417 1.082 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001268427337 902041905 /nfs/dbraw/zinc/04/19/05/902041905.db2.gz WABLLOZXBXJHFC-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001567777879 1168965525 /nfs/dbraw/zinc/96/55/25/1168965525.db2.gz XGGJEWWRQWCQCV-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[NH2+]C[C@](C)(NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001481941872 902384324 /nfs/dbraw/zinc/38/43/24/902384324.db2.gz YIAQTTJVGXAOBU-CJNGLKHVSA-N 1 3 279.428 1.389 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268555802 902555994 /nfs/dbraw/zinc/55/59/94/902555994.db2.gz 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905408021 /nfs/dbraw/zinc/40/80/21/905408021.db2.gz XMUSPKCGXGAJNY-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484123989 915450302 /nfs/dbraw/zinc/45/03/02/915450302.db2.gz VVFNXKASILPYIM-DOTOQJQBSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001484724005 916084123 /nfs/dbraw/zinc/08/41/23/916084123.db2.gz MDBXEPGIJRSZRZ-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001484724005 916084139 /nfs/dbraw/zinc/08/41/39/916084139.db2.gz MDBXEPGIJRSZRZ-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCCC[N@@H+](C)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001485351580 916872781 /nfs/dbraw/zinc/87/27/81/916872781.db2.gz VGZCHOGLVGOWAL-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[N@H+](C)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001485351580 916872788 /nfs/dbraw/zinc/87/27/88/916872788.db2.gz VGZCHOGLVGOWAL-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001272780855 919267338 /nfs/dbraw/zinc/26/73/38/919267338.db2.gz CHZNNYDAKVZXGS-HNNXBMFYSA-N 1 3 293.455 1.759 10 30 CDEEHO C#CCCN1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001276388525 936725451 /nfs/dbraw/zinc/72/54/51/936725451.db2.gz IQTLGRFYYUCJSK-HIFRSBDPSA-N 1 3 279.428 1.032 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001568367176 1169262019 /nfs/dbraw/zinc/26/20/19/1169262019.db2.gz FNWQSLASNJTZAQ-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)[C@H](C)N1CCCCCC1)C(C)C ZINC001568464449 1169299650 /nfs/dbraw/zinc/29/96/50/1169299650.db2.gz WKTVNDVAZPXHAX-JKSUJKDBSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001568514730 1169342040 /nfs/dbraw/zinc/34/20/40/1169342040.db2.gz BEEHKTNNUMDCRZ-HOTGVXAUSA-N 1 3 293.455 1.826 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001568514730 1169342050 /nfs/dbraw/zinc/34/20/50/1169342050.db2.gz BEEHKTNNUMDCRZ-HOTGVXAUSA-N 1 3 293.455 1.826 10 30 CDEEHO C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001274345462 931493012 /nfs/dbraw/zinc/49/30/12/931493012.db2.gz VEVDBWMTMKJOFZ-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001275729749 931983216 /nfs/dbraw/zinc/98/32/16/931983216.db2.gz OQZJBMPMQDMAFQ-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001275827744 932069755 /nfs/dbraw/zinc/06/97/55/932069755.db2.gz LMDRDLNWYKXXNP-HNNXBMFYSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001275827744 932069760 /nfs/dbraw/zinc/06/97/60/932069760.db2.gz LMDRDLNWYKXXNP-HNNXBMFYSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001280197488 942422716 /nfs/dbraw/zinc/42/27/16/942422716.db2.gz ILIQMAIJHORPED-JKSUJKDBSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001282399494 942706917 /nfs/dbraw/zinc/70/69/17/942706917.db2.gz SPHBXOAYYQESPB-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001282399494 942706922 /nfs/dbraw/zinc/70/69/22/942706922.db2.gz SPHBXOAYYQESPB-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001277539564 942938509 /nfs/dbraw/zinc/93/85/09/942938509.db2.gz XKDHZCHSWFIBFE-MRXNPFEDSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001277539564 942938512 /nfs/dbraw/zinc/93/85/12/942938512.db2.gz XKDHZCHSWFIBFE-MRXNPFEDSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001283680411 942967208 /nfs/dbraw/zinc/96/72/08/942967208.db2.gz PGVYSJPQIRQZEQ-LBPRGKRZSA-N 1 3 264.373 1.355 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001266142991 944710852 /nfs/dbraw/zinc/71/08/52/944710852.db2.gz JDEZJTVQCBSKRF-INIZCTEOSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001266142991 944710862 /nfs/dbraw/zinc/71/08/62/944710862.db2.gz JDEZJTVQCBSKRF-INIZCTEOSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)CC[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001279288585 944790612 /nfs/dbraw/zinc/79/06/12/944790612.db2.gz VZKRBHVXLHKYDQ-FHERZECASA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CCN1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001479987549 971524639 /nfs/dbraw/zinc/52/46/39/971524639.db2.gz ZXLZCYGTLLWDMD-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001479987549 971524645 /nfs/dbraw/zinc/52/46/45/971524645.db2.gz ZXLZCYGTLLWDMD-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001278572714 950215078 /nfs/dbraw/zinc/21/50/78/950215078.db2.gz QKKMQQMLGJRRJL-HOCLYGCPSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480666065 971830354 /nfs/dbraw/zinc/83/03/54/971830354.db2.gz RJAPAUDFVUZVBW-CVEARBPZSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480666858 971832062 /nfs/dbraw/zinc/83/20/62/971832062.db2.gz ZPZAVJKPTCELGU-CQSZACIVSA-N 1 3 279.428 1.036 10 30 CDEEHO CC#CCN1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001493269727 972004003 /nfs/dbraw/zinc/00/40/03/972004003.db2.gz YRLHGSLCBYVQBO-MRXNPFEDSA-N 1 3 291.439 1.324 10 30 CDEEHO CC#CCN1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001327162206 954742582 /nfs/dbraw/zinc/74/25/82/954742582.db2.gz HZTBFIAJIJHTPA-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001328459106 955301490 /nfs/dbraw/zinc/30/14/90/955301490.db2.gz MGQQEYDZFYIFJB-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001328859324 955517750 /nfs/dbraw/zinc/51/77/50/955517750.db2.gz PIXHLNWSLBUGMC-UYSNPLJNSA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001493255472 955887809 /nfs/dbraw/zinc/88/78/09/955887809.db2.gz UQDLPHCYQGEJLN-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001493255472 955887816 /nfs/dbraw/zinc/88/78/16/955887816.db2.gz UQDLPHCYQGEJLN-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001317454076 957486667 /nfs/dbraw/zinc/48/66/67/957486667.db2.gz YXUKXIPPFYMPRE-ZDUSSCGKSA-N 1 3 255.406 1.197 10 30 CDEEHO C=C(C)C[N@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001317454076 957486671 /nfs/dbraw/zinc/48/66/71/957486671.db2.gz YXUKXIPPFYMPRE-ZDUSSCGKSA-N 1 3 255.406 1.197 10 30 CDEEHO C#CC[N@@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001317880127 957706230 /nfs/dbraw/zinc/70/62/30/957706230.db2.gz RRWIXIBNRAZSKA-OAHLLOKOSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CC[N@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001317880127 957706242 /nfs/dbraw/zinc/70/62/42/957706242.db2.gz RRWIXIBNRAZSKA-OAHLLOKOSA-N 1 3 291.439 1.132 10 30 CDEEHO CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCN1CCC ZINC001494985745 972365186 /nfs/dbraw/zinc/36/51/86/972365186.db2.gz BMNIUVMFVAVZBI-GJZGRUSLSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320890801 959442510 /nfs/dbraw/zinc/44/25/10/959442510.db2.gz ACRSHCOFUPVUNG-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001322306144 960176463 /nfs/dbraw/zinc/17/64/63/960176463.db2.gz IHXVMIIFWVCKLY-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001322306144 960176465 /nfs/dbraw/zinc/17/64/65/960176465.db2.gz IHXVMIIFWVCKLY-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001322305600 960177660 /nfs/dbraw/zinc/17/76/60/960177660.db2.gz FPAULZLEQMLUNM-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001322305600 960177665 /nfs/dbraw/zinc/17/76/65/960177665.db2.gz FPAULZLEQMLUNM-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001322998892 960398410 /nfs/dbraw/zinc/39/84/10/960398410.db2.gz DJTVSAWBAFODGR-OAHLLOKOSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC001346289768 965030633 /nfs/dbraw/zinc/03/06/33/965030633.db2.gz ZOOBGXHVCQRHEO-CZUORRHYSA-N 1 3 292.427 1.160 10 30 CDEEHO C#CCN(C(=O)[C@H](C)CC[NH+](C)C)C1CCN(C)CC1 ZINC001558506910 965302848 /nfs/dbraw/zinc/30/28/48/965302848.db2.gz JZURLQSLTUAABD-CQSZACIVSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH+](CC)CC)CC1 ZINC001347659870 965645756 /nfs/dbraw/zinc/64/57/56/965645756.db2.gz KQPNCIFQJVQDMH-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001353331767 967906294 /nfs/dbraw/zinc/90/62/94/967906294.db2.gz YUEJBBRNUOCQQI-MRXNPFEDSA-N 1 3 292.427 1.174 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001496639980 973004688 /nfs/dbraw/zinc/00/46/88/973004688.db2.gz WGHHMYWGJOAPPI-CQSZACIVSA-N 1 3 269.433 1.633 10 30 CDEEHO CC#CCNC1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001499260671 974223687 /nfs/dbraw/zinc/22/36/87/974223687.db2.gz BITOGCWYJZHAFM-UHFFFAOYSA-N 1 3 289.423 1.124 10 30 CDEEHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C2 ZINC001501172011 974544579 /nfs/dbraw/zinc/54/45/79/974544579.db2.gz LPZIPBCGEVNWKF-QKPAOTATSA-N 1 3 293.455 1.872 10 30 CDEEHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C2 ZINC001501172011 974544583 /nfs/dbraw/zinc/54/45/83/974544583.db2.gz LPZIPBCGEVNWKF-QKPAOTATSA-N 1 3 293.455 1.872 10 30 CDEEHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001507289606 975400890 /nfs/dbraw/zinc/40/08/90/975400890.db2.gz SLPOGYYKWOJABG-KGLIPLIRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001390041234 976099334 /nfs/dbraw/zinc/09/93/34/976099334.db2.gz VNXCLAVKDQVBOK-OKILXGFUSA-N 1 3 299.846 1.852 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001674140662 1173917698 /nfs/dbraw/zinc/91/76/98/1173917698.db2.gz HWBLMUIJBPXJQN-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCN1CCC ZINC001676222655 1174193255 /nfs/dbraw/zinc/19/32/55/1174193255.db2.gz WKFOWUQALRHPKQ-HZPDHXFCSA-N 1 3 293.455 1.873 10 30 CDEEHO CC(C#N)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592879789 342743299 /nfs/dbraw/zinc/74/32/99/342743299.db2.gz CPDISPKPRVBISE-YUELXQCFSA-N 1 3 271.364 1.608 10 30 CDEEHO CC(C#N)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592879789 342743300 /nfs/dbraw/zinc/74/33/00/342743300.db2.gz CPDISPKPRVBISE-YUELXQCFSA-N 1 3 271.364 1.608 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000594424317 342904046 /nfs/dbraw/zinc/90/40/46/342904046.db2.gz ANOKHYUHJVNWHF-LBPRGKRZSA-N 1 3 266.389 1.175 10 30 CDEEHO C=C(C)[C@@H](CO)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000643255224 359246239 /nfs/dbraw/zinc/24/62/39/359246239.db2.gz GVVLRUZCEXLQDX-QGZVFWFLSA-N 1 3 295.471 1.415 10 30 CDEEHO C=C(C)[C@@H](CO)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000643255224 359246242 /nfs/dbraw/zinc/24/62/42/359246242.db2.gz GVVLRUZCEXLQDX-QGZVFWFLSA-N 1 3 295.471 1.415 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001661473996 1172396113 /nfs/dbraw/zinc/39/61/13/1172396113.db2.gz TVKBELPBEUZGSH-RBSFLKMASA-N 1 3 279.428 1.531 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001661753572 1172440939 /nfs/dbraw/zinc/44/09/39/1172440939.db2.gz YHNFRJJLHNYBMA-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001661753572 1172440945 /nfs/dbraw/zinc/44/09/45/1172440945.db2.gz YHNFRJJLHNYBMA-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO COC[C@@H](CCC[NH3+])NC1(c2cccc(C#N)c2)CC1 ZINC000423028814 392956730 /nfs/dbraw/zinc/95/67/30/392956730.db2.gz 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/nfs/dbraw/zinc/06/68/51/176066851.db2.gz HIIHPZSOVULISQ-CYBMUJFWSA-N 1 3 277.437 1.442 10 30 CDEEHO CN(Cc1sccc1C#CCN)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190472 176066852 /nfs/dbraw/zinc/06/68/52/176066852.db2.gz HIIHPZSOVULISQ-CYBMUJFWSA-N 1 3 277.437 1.442 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CCC=C)CC1 ZINC001666673538 1173169820 /nfs/dbraw/zinc/16/98/20/1173169820.db2.gz QCICTIYXGMOEJK-HNNXBMFYSA-N 1 3 291.439 1.250 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@@]2(N(C)C)CCSC2)CCC[NH2+]1 ZINC000662683130 424315486 /nfs/dbraw/zinc/31/54/86/424315486.db2.gz WOFRDHAUDWHKCP-GJZGRUSLSA-N 1 3 297.468 1.238 10 30 CDEEHO CCN1CCC[C@@H]1CN(C)C(NC[C@@H]1CCC[C@@H]1O)=[NH+]C ZINC000262776428 330030926 /nfs/dbraw/zinc/03/09/26/330030926.db2.gz JLRCPEYKZKFELK-ZNMIVQPWSA-N 1 3 296.459 1.139 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001670793823 1159856825 /nfs/dbraw/zinc/85/68/25/1159856825.db2.gz XNUNNULPRRGFLU-AWEZNQCLSA-N 1 3 277.412 1.123 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001670793823 1159856831 /nfs/dbraw/zinc/85/68/31/1159856831.db2.gz XNUNNULPRRGFLU-AWEZNQCLSA-N 1 3 277.412 1.123 10 30 CDEEHO CC#CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001700920841 1160103011 /nfs/dbraw/zinc/10/30/11/1160103011.db2.gz BSEHDDGJHARWLT-LSDHHAIUSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001486448313 1161455427 /nfs/dbraw/zinc/45/54/27/1161455427.db2.gz IQUTZGIFBZAXQM-AWEZNQCLSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001717376038 1180635053 /nfs/dbraw/zinc/63/50/53/1180635053.db2.gz IZIWHHVPTXGUCL-UONOGXRCSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001717376038 1180635054 /nfs/dbraw/zinc/63/50/54/1180635054.db2.gz IZIWHHVPTXGUCL-UONOGXRCSA-N 1 3 265.401 1.047 10 30 CDEEHO N#CCN1CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925609436 617553864 /nfs/dbraw/zinc/55/38/64/617553864.db2.gz UCHDVLHQWVQAPD-DLBZAZTESA-N 1 3 290.455 1.732 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCCC(=O)OC ZINC000303770385 681817412 /nfs/dbraw/zinc/81/74/12/681817412.db2.gz BXNRSYDTVQSGMV-CYBMUJFWSA-N 1 3 298.431 1.108 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCC[NH2+]1 ZINC000877339466 682500433 /nfs/dbraw/zinc/50/04/33/682500433.db2.gz ANPKQNBTVFGRCP-WMZOPIPTSA-N 1 3 299.418 1.515 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000876729800 683222164 /nfs/dbraw/zinc/22/21/64/683222164.db2.gz XQHOLAAYOMNMQM-JQWIXIFHSA-N 1 3 273.808 1.304 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000876716687 683283075 /nfs/dbraw/zinc/28/30/75/683283075.db2.gz KCTLQJRGGRXEDH-VXGBXAGGSA-N 1 3 275.824 1.549 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCC[NH2+]1 ZINC000877339464 683652657 /nfs/dbraw/zinc/65/26/57/683652657.db2.gz ANPKQNBTVFGRCP-FUHWJXTLSA-N 1 3 299.418 1.515 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000876756099 683841452 /nfs/dbraw/zinc/84/14/52/683841452.db2.gz ZKADIPZGOKFSRI-OLZOCXBDSA-N 1 3 285.819 1.543 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1C[NH2+]C ZINC000876946280 683968514 /nfs/dbraw/zinc/96/85/14/683968514.db2.gz PWYJJKUSGDKBSS-ZDUSSCGKSA-N 1 3 281.787 1.492 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000876944806 684002953 /nfs/dbraw/zinc/00/29/53/684002953.db2.gz UFFVRNVKXDNQBD-LBPRGKRZSA-N 1 3 275.824 1.550 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@H+](C)CC(C)C ZINC000876944806 684002957 /nfs/dbraw/zinc/00/29/57/684002957.db2.gz UFFVRNVKXDNQBD-LBPRGKRZSA-N 1 3 275.824 1.550 10 30 CDEEHO C[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261997678 684022475 /nfs/dbraw/zinc/02/24/75/684022475.db2.gz SWAJGAVYTRNPHU-FMKPAKJESA-N 1 3 296.459 1.307 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877409716 684180015 /nfs/dbraw/zinc/18/00/15/684180015.db2.gz YUPLEBZAAJVPIE-QWHCGFSZSA-N 1 3 299.846 1.885 10 30 CDEEHO C#CCOc1ccc([C@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000863540510 684247175 /nfs/dbraw/zinc/24/71/75/684247175.db2.gz FDBGJRKXGUMSFT-AWEZNQCLSA-N 1 3 288.391 1.857 10 30 CDEEHO C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@@H](C)C1 ZINC001691370225 1159041775 /nfs/dbraw/zinc/04/17/75/1159041775.db2.gz INKVFHUGDAANGG-OAGGEKHMSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)C[N@@H+](CCNC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001567450466 1168771124 /nfs/dbraw/zinc/77/11/24/1168771124.db2.gz HCINNUBVJAQSBW-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@H+](CCNC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001567450466 1168771132 /nfs/dbraw/zinc/77/11/32/1168771132.db2.gz HCINNUBVJAQSBW-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001568506825 1169339310 /nfs/dbraw/zinc/33/93/10/1169339310.db2.gz WQQPBCVUVBVVMK-UHFFFAOYSA-N 1 3 289.423 1.938 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001657101907 1171930095 /nfs/dbraw/zinc/93/00/95/1171930095.db2.gz KJFWHRPOFOEHSY-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001661963808 1172470396 /nfs/dbraw/zinc/47/03/96/1172470396.db2.gz KMGTYJBCFHCPBO-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCN(C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001690951765 1175625415 /nfs/dbraw/zinc/62/54/15/1175625415.db2.gz YGKMNAVUPGIUPZ-UHFFFAOYSA-N 1 3 265.401 1.096 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001699315672 1176217241 /nfs/dbraw/zinc/21/72/41/1176217241.db2.gz USDOTRHQHAEOPL-AATRIKPKSA-N 1 3 277.412 1.004 10 30 CDEEHO C#CCNC/C=C\CNC(=O)c1ccccc1CC[NH+](C)C ZINC001699324876 1176235977 /nfs/dbraw/zinc/23/59/77/1176235977.db2.gz WALLSZFZWQHQGR-FPLPWBNLSA-N 1 3 299.418 1.300 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001699472625 1176433615 /nfs/dbraw/zinc/43/36/15/1176433615.db2.gz VWXGUUHFWFXYSR-KBPBESRZSA-N 1 3 269.433 1.585 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001699472625 1176433619 /nfs/dbraw/zinc/43/36/19/1176433619.db2.gz VWXGUUHFWFXYSR-KBPBESRZSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CCN1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001700888963 1177179577 /nfs/dbraw/zinc/17/95/77/1177179577.db2.gz RUYJZPASHCZLDB-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001700888963 1177179582 /nfs/dbraw/zinc/17/95/82/1177179582.db2.gz RUYJZPASHCZLDB-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001707067095 1177937865 /nfs/dbraw/zinc/93/78/65/1177937865.db2.gz ZUXIZIYEJJIPOE-OWCLPIDISA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713150716 1178397220 /nfs/dbraw/zinc/39/72/20/1178397220.db2.gz SCXICYITEQCMGK-INIZCTEOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001713220922 1178440849 /nfs/dbraw/zinc/44/08/49/1178440849.db2.gz VZELUMJLQWIHGO-JKSUJKDBSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001713220922 1178440852 /nfs/dbraw/zinc/44/08/52/1178440852.db2.gz VZELUMJLQWIHGO-JKSUJKDBSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001713410609 1178543107 /nfs/dbraw/zinc/54/31/07/1178543107.db2.gz VSPXKIVQLHFWCZ-OLZOCXBDSA-N 1 3 255.406 1.243 10 30 CDEEHO C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001713478192 1178594119 /nfs/dbraw/zinc/59/41/19/1178594119.db2.gz RXJOSELXRATVEE-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001713478192 1178594123 /nfs/dbraw/zinc/59/41/23/1178594123.db2.gz RXJOSELXRATVEE-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001714048192 1178945572 /nfs/dbraw/zinc/94/55/72/1178945572.db2.gz FLSQSRPROUKYMR-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001714048192 1178945575 /nfs/dbraw/zinc/94/55/75/1178945575.db2.gz FLSQSRPROUKYMR-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001714080125 1178963905 /nfs/dbraw/zinc/96/39/05/1178963905.db2.gz SVACSBPGPKURCS-HZPDHXFCSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001714384966 1179115955 /nfs/dbraw/zinc/11/59/55/1179115955.db2.gz KCUWZHNLOWQKSP-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001714412864 1179128686 /nfs/dbraw/zinc/12/86/86/1179128686.db2.gz SUXJGNHGONKNBC-GJZGRUSLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001714798875 1179402736 /nfs/dbraw/zinc/40/27/36/1179402736.db2.gz YQZYBHIDIWZNSD-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001714866309 1179429221 /nfs/dbraw/zinc/42/92/21/1179429221.db2.gz LZLNLKWUNIRUEG-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001714866309 1179429224 /nfs/dbraw/zinc/42/92/24/1179429224.db2.gz LZLNLKWUNIRUEG-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001715422911 1179662450 /nfs/dbraw/zinc/66/24/50/1179662450.db2.gz VOQWNXSIDWYACX-UONOGXRCSA-N 1 3 267.417 1.339 10 30 CDEEHO C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001715441614 1179668266 /nfs/dbraw/zinc/66/82/66/1179668266.db2.gz ZOULQXXIJCXPBF-GJZGRUSLSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[NH2+]CCCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001716586378 1180294762 /nfs/dbraw/zinc/29/47/62/1180294762.db2.gz TUULVCAGBSEGLJ-UHFFFAOYSA-N 1 3 289.423 1.986 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001725084774 1181851807 /nfs/dbraw/zinc/85/18/07/1181851807.db2.gz CONSDXWGIJHRPN-CHWSQXEVSA-N 1 3 267.417 1.530 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001725184338 1181912483 /nfs/dbraw/zinc/91/24/83/1181912483.db2.gz YEAAZJLQMHJSTF-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001725184338 1181912488 /nfs/dbraw/zinc/91/24/88/1181912488.db2.gz YEAAZJLQMHJSTF-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001731994327 1182718377 /nfs/dbraw/zinc/71/83/77/1182718377.db2.gz QGFBEGXBVMSHPA-HOCLYGCPSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[NH2+]C1(CC)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001733809672 1183537056 /nfs/dbraw/zinc/53/70/56/1183537056.db2.gz POTKALDKEAYKPL-UHFFFAOYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001734432616 1183777762 /nfs/dbraw/zinc/77/77/62/1183777762.db2.gz NUQYRHFGPDEMOL-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691706125 1164426054 /nfs/dbraw/zinc/42/60/54/1164426054.db2.gz MDWQGYMWJLOVSJ-GASCZTMLSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001266431357 894844407 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C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001488683885 926647165 /nfs/dbraw/zinc/64/71/65/926647165.db2.gz PBUDIORITCOOPO-CABCVRRESA-N 1 3 279.428 1.437 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC000824083750 931394575 /nfs/dbraw/zinc/39/45/75/931394575.db2.gz BXNPXDCKOLUWFN-LSDHHAIUSA-N 1 3 291.439 1.177 10 30 CDEEHO CC#CCN1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001273444350 932825883 /nfs/dbraw/zinc/82/58/83/932825883.db2.gz AVUXIVWHMYYKNY-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001277225553 942197200 /nfs/dbraw/zinc/19/72/00/942197200.db2.gz WAKWNZVKLRWOIG-GJZGRUSLSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001281897580 942628231 /nfs/dbraw/zinc/62/82/31/942628231.db2.gz RCMZKRMNPWAUDL-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCN1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001284959015 943302253 /nfs/dbraw/zinc/30/22/53/943302253.db2.gz FIRSYGLHGIZAJI-UHFFFAOYSA-N 1 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C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317384281 956241560 /nfs/dbraw/zinc/24/15/60/956241560.db2.gz VEJKUAGOURHAJU-CABCVRRESA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317384281 956241570 /nfs/dbraw/zinc/24/15/70/956241570.db2.gz VEJKUAGOURHAJU-CABCVRRESA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)N(C)C)C1 ZINC001330052808 956252443 /nfs/dbraw/zinc/25/24/43/956252443.db2.gz CZGPEKBCBOKTEG-HIFRSBDPSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001330229072 956339852 /nfs/dbraw/zinc/33/98/52/956339852.db2.gz BLHLDSAQKFHCDA-HUUCEWRRSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001330229072 956339863 /nfs/dbraw/zinc/33/98/63/956339863.db2.gz BLHLDSAQKFHCDA-HUUCEWRRSA-N 1 3 295.471 1.975 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001480683572 956535895 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C=CCN1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494842460 972321663 /nfs/dbraw/zinc/32/16/63/972321663.db2.gz QWSZHQSXRSNDRM-ZDUSSCGKSA-N 1 3 253.390 1.047 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CC(C)C)CC1 ZINC001318608897 958195247 /nfs/dbraw/zinc/19/52/47/958195247.db2.gz ZLHXCFXQUQUVCB-INIZCTEOSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001319688191 958689556 /nfs/dbraw/zinc/68/95/56/958689556.db2.gz AIGFSFUIERRXLU-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001495474737 972514457 /nfs/dbraw/zinc/51/44/57/972514457.db2.gz PUOALPQATMIEFI-SHTZXODSSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001324264144 961270589 /nfs/dbraw/zinc/27/05/89/961270589.db2.gz RERBTMFHCFGGDC-UONOGXRCSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N(CCC[NH3+])CC(F)(F)F ZINC001340954959 963209655 /nfs/dbraw/zinc/20/96/55/963209655.db2.gz ZBFASQRLCSYODM-SNVBAGLBSA-N 1 3 281.322 1.410 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001340982978 963220486 /nfs/dbraw/zinc/22/04/86/963220486.db2.gz IXTNAUQHSVHHKH-HOCLYGCPSA-N 1 3 279.428 1.662 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001515597361 969903655 /nfs/dbraw/zinc/90/36/55/969903655.db2.gz DFTORSIQBNBQHZ-ZOBORPQBSA-N 1 3 265.401 1.126 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001515597361 969903661 /nfs/dbraw/zinc/90/36/61/969903661.db2.gz DFTORSIQBNBQHZ-ZOBORPQBSA-N 1 3 265.401 1.126 10 30 CDEEHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001371832343 972652699 /nfs/dbraw/zinc/65/26/99/972652699.db2.gz KCOOECRCBBAIHQ-YPMHNXCESA-N 1 3 287.835 1.565 10 30 CDEEHO C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC[NH+](C)C ZINC001497898556 973569133 /nfs/dbraw/zinc/56/91/33/973569133.db2.gz BLMYNLUYRQCJJS-LLVKDONJSA-N 1 3 294.424 1.166 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001498118550 973693178 /nfs/dbraw/zinc/69/31/78/973693178.db2.gz RMSNPFPMQBUDMB-BBRMVZONSA-N 1 3 297.418 1.317 10 30 CDEEHO C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001498526232 973967846 /nfs/dbraw/zinc/96/78/46/973967846.db2.gz MURJOVVAEWISTK-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001500354116 974426348 /nfs/dbraw/zinc/42/63/48/974426348.db2.gz LAINYWBZQIVPIH-QGZVFWFLSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[NH2+]C[C@@H](CCCC)NC(=O)CN1CC[C@@H](C)C1 ZINC001506549760 975177908 /nfs/dbraw/zinc/17/79/08/975177908.db2.gz UAFOCXSDXFOLTE-HUUCEWRRSA-N 1 3 279.428 1.226 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001507327258 975417387 /nfs/dbraw/zinc/41/73/87/975417387.db2.gz IRFKUMRYLDORFH-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CCC)C1 ZINC001403458827 976967249 /nfs/dbraw/zinc/96/72/49/976967249.db2.gz NIZVQUPSSMYBGY-JOCQHMNTSA-N 1 3 287.835 1.565 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001570009938 1170057843 /nfs/dbraw/zinc/05/78/43/1170057843.db2.gz QCNPTLZSVGUOFO-INIZCTEOSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCC[N@@H+](C)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001570736374 1170261897 /nfs/dbraw/zinc/26/18/97/1170261897.db2.gz WNWXXPIYUBPDNM-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@H+](C)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001570736374 1170261900 /nfs/dbraw/zinc/26/19/00/1170261900.db2.gz WNWXXPIYUBPDNM-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO CCN(CCC[NH+](C)C)C(=O)[C@@H](N)CCCCC#N ZINC000594439047 342906545 /nfs/dbraw/zinc/90/65/45/342906545.db2.gz ZKAQMFHJJOCBDD-ZDUSSCGKSA-N 1 3 268.405 1.198 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000594444544 342908435 /nfs/dbraw/zinc/90/84/35/342908435.db2.gz SQBNDTJHSUQITA-HNNXBMFYSA-N 1 3 294.443 1.765 10 30 CDEEHO N#CC1(C[C@@H](O)CNC2CC[NH+](CC3CC3)CC2)CC1 ZINC000600718570 342244472 /nfs/dbraw/zinc/24/44/72/342244472.db2.gz YGTXEMKIMBYZMR-OAHLLOKOSA-N 1 3 277.412 1.505 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000594424453 342904031 /nfs/dbraw/zinc/90/40/31/342904031.db2.gz DTMUXSYKNFDDMD-HNNXBMFYSA-N 1 3 294.443 1.826 10 30 CDEEHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](N)CCCCC#N ZINC000594425060 342904361 /nfs/dbraw/zinc/90/43/61/342904361.db2.gz JMKUMOHMRKAISE-QWHCGFSZSA-N 1 3 268.405 1.229 10 30 CDEEHO CN(C)CCC[N@H+](C)CCNc1cccc(C#N)n1 ZINC000596425838 343311935 /nfs/dbraw/zinc/31/19/35/343311935.db2.gz WOBUQUUMZYNGOH-UHFFFAOYSA-N 1 3 261.373 1.249 10 30 CDEEHO CN(C)CCC[N@@H+](C)CCNc1cccc(C#N)n1 ZINC000596425838 343311936 /nfs/dbraw/zinc/31/19/36/343311936.db2.gz WOBUQUUMZYNGOH-UHFFFAOYSA-N 1 3 261.373 1.249 10 30 CDEEHO C[NH2+]CCOCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000600712285 349877028 /nfs/dbraw/zinc/87/70/28/349877028.db2.gz WDSYVDVCAXDVFO-NSHDSACASA-N 1 3 265.332 1.584 10 30 CDEEHO C#CCC1([NH2+]CCCN2CCN(C(C)C)CC2)CCC1 ZINC000933297114 684559204 /nfs/dbraw/zinc/55/92/04/684559204.db2.gz XKWVPZLWOOLUDK-UHFFFAOYSA-N 1 3 277.456 1.938 10 30 CDEEHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166192 198188513 /nfs/dbraw/zinc/18/85/13/198188513.db2.gz PAJCQONYXSTJCS-SJORKVTESA-N 1 3 285.391 1.619 10 30 CDEEHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166192 198188514 /nfs/dbraw/zinc/18/85/14/198188514.db2.gz PAJCQONYXSTJCS-SJORKVTESA-N 1 3 285.391 1.619 10 30 CDEEHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000568632231 371228663 /nfs/dbraw/zinc/22/86/63/371228663.db2.gz MUXMRJRHODLRRJ-RCBQFDQVSA-N 1 3 273.380 1.595 10 30 CDEEHO CC1(C)OCC[C@H]1NCC#CC[NH2+][C@@H]1CCOC1(C)C ZINC000451241015 391646172 /nfs/dbraw/zinc/64/61/72/391646172.db2.gz JJZQBKNZIPFAKX-ZIAGYGMSSA-N 1 3 280.412 1.304 10 30 CDEEHO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662299617 414623897 /nfs/dbraw/zinc/62/38/97/414623897.db2.gz SHZAKRCOTBITGH-ZIAGYGMSSA-N 1 3 250.386 1.796 10 30 CDEEHO C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662299617 414623900 /nfs/dbraw/zinc/62/39/00/414623900.db2.gz SHZAKRCOTBITGH-ZIAGYGMSSA-N 1 3 250.386 1.796 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001667701759 1173311738 /nfs/dbraw/zinc/31/17/38/1173311738.db2.gz PNIHBZAJFHVYKM-JKSUJKDBSA-N 1 3 293.455 1.826 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001667701759 1173311745 /nfs/dbraw/zinc/31/17/45/1173311745.db2.gz PNIHBZAJFHVYKM-JKSUJKDBSA-N 1 3 293.455 1.826 10 30 CDEEHO C#CC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862823 275379802 /nfs/dbraw/zinc/37/98/02/275379802.db2.gz DVMMSEKXJDHDOW-GOSISDBHSA-N 1 3 286.419 1.997 10 30 CDEEHO C#CC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862823 275379803 /nfs/dbraw/zinc/37/98/03/275379803.db2.gz DVMMSEKXJDHDOW-GOSISDBHSA-N 1 3 286.419 1.997 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262674212 330026183 /nfs/dbraw/zinc/02/61/83/330026183.db2.gz QKYXNXDAEZWEEB-BMFZPTHFSA-N 1 3 291.439 1.674 10 30 CDEEHO C[NH+]=C(NC1CCC1)NC1CCN(C2CC2)CC1 ZINC000262808635 330032903 /nfs/dbraw/zinc/03/29/03/330032903.db2.gz UHXNCIMAIBBUFY-UHFFFAOYSA-N 1 3 250.390 1.331 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001699403421 1176368661 /nfs/dbraw/zinc/36/86/61/1176368661.db2.gz XIEHXLNMZLGGEJ-KBPBESRZSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001483512104 1160932716 /nfs/dbraw/zinc/93/27/16/1160932716.db2.gz OYQDMICSVDVQDU-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000917136340 632159820 /nfs/dbraw/zinc/15/98/20/632159820.db2.gz AJTMCWSCRQZFAI-TZMCWYRMSA-N 1 3 280.416 1.029 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000917136340 632159822 /nfs/dbraw/zinc/15/98/22/632159822.db2.gz AJTMCWSCRQZFAI-TZMCWYRMSA-N 1 3 280.416 1.029 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000876729218 685837035 /nfs/dbraw/zinc/83/70/35/685837035.db2.gz HTNAXFXTPHUWHW-TUAOUCFPSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000876729218 685837037 /nfs/dbraw/zinc/83/70/37/685837037.db2.gz HTNAXFXTPHUWHW-TUAOUCFPSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC000876737393 685987229 /nfs/dbraw/zinc/98/72/29/685987229.db2.gz SPTRZBKIDWGGHN-CQSZACIVSA-N 1 3 295.814 1.705 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000876523673 686813312 /nfs/dbraw/zinc/81/33/12/686813312.db2.gz AYWMHUQNEWUKJN-RYUDHWBXSA-N 1 3 267.760 1.273 10 30 CDEEHO C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)N1CCC(C)CC1 ZINC000261699440 687162347 /nfs/dbraw/zinc/16/23/47/687162347.db2.gz CHKNUOQBRJVRBD-KBPBESRZSA-N 1 3 282.432 1.190 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000876507975 687318228 /nfs/dbraw/zinc/31/82/28/687318228.db2.gz QYJVDRQNEJBMPX-LBPRGKRZSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000876541904 687961014 /nfs/dbraw/zinc/96/10/14/687961014.db2.gz LSPUNASTSCQGDA-GHMZBOCLSA-N 1 3 261.797 1.288 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000876941928 688147770 /nfs/dbraw/zinc/14/77/70/688147770.db2.gz NERZZMBCRRNTMJ-QWKFWESOSA-N 1 3 271.792 1.186 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001691208691 1158956052 /nfs/dbraw/zinc/95/60/52/1158956052.db2.gz GFPFWMHTYBYRAR-OAHLLOKOSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001691208691 1158956055 /nfs/dbraw/zinc/95/60/55/1158956055.db2.gz GFPFWMHTYBYRAR-OAHLLOKOSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CCN(CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001663761283 1172757534 /nfs/dbraw/zinc/75/75/34/1172757534.db2.gz OTXHSRBOOBYURG-UHFFFAOYSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[NH2+]CCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001666244823 1173120494 /nfs/dbraw/zinc/12/04/94/1173120494.db2.gz JLIYLAHESBGFGD-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001669411769 1173547604 /nfs/dbraw/zinc/54/76/04/1173547604.db2.gz VNUXRXLKHOINEO-CABCVRRESA-N 1 3 279.428 1.367 10 30 CDEEHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001675545700 1174126282 /nfs/dbraw/zinc/12/62/82/1174126282.db2.gz QTOAECMTZLCOFU-YHUYYLMFSA-N 1 3 291.439 1.198 10 30 CDEEHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001675545700 1174126288 /nfs/dbraw/zinc/12/62/88/1174126288.db2.gz QTOAECMTZLCOFU-YHUYYLMFSA-N 1 3 291.439 1.198 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001690824982 1175581021 /nfs/dbraw/zinc/58/10/21/1175581021.db2.gz OPCYCHPIOBKGON-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001691989250 1175663481 /nfs/dbraw/zinc/66/34/81/1175663481.db2.gz CHTLTPLSNZKPSW-LSDHHAIUSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001691989250 1175663476 /nfs/dbraw/zinc/66/34/76/1175663476.db2.gz CHTLTPLSNZKPSW-LSDHHAIUSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](CC)N(C)C ZINC001698880673 1175976223 /nfs/dbraw/zinc/97/62/23/1175976223.db2.gz VXIHGICXPLIIDJ-UONOGXRCSA-N 1 3 267.417 1.080 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699003529 1176035967 /nfs/dbraw/zinc/03/59/67/1176035967.db2.gz ZOPYGNPQRQFLRA-OAHLLOKOSA-N 1 3 279.428 1.295 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CCC1 ZINC001700131860 1176764061 /nfs/dbraw/zinc/76/40/61/1176764061.db2.gz IPGQIZWEXALTAJ-HNNXBMFYSA-N 1 3 291.439 1.513 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001713310459 1178489042 /nfs/dbraw/zinc/48/90/42/1178489042.db2.gz VAWXONWIJMJZDS-UONOGXRCSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713485034 1178601542 /nfs/dbraw/zinc/60/15/42/1178601542.db2.gz DZXPOKRKXZJFHE-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001713485034 1178601546 /nfs/dbraw/zinc/60/15/46/1178601546.db2.gz DZXPOKRKXZJFHE-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001713854941 1178794417 /nfs/dbraw/zinc/79/44/17/1178794417.db2.gz IOVSYNHBUHPACP-OAHLLOKOSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714022478 1178932706 /nfs/dbraw/zinc/93/27/06/1178932706.db2.gz TVAQTOLDYSBIIQ-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCN1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001714114905 1178979469 /nfs/dbraw/zinc/97/94/69/1178979469.db2.gz KAQZEOQVHONHIU-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN1CCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001714114905 1178979471 /nfs/dbraw/zinc/97/94/71/1178979471.db2.gz KAQZEOQVHONHIU-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001714906511 1179447401 /nfs/dbraw/zinc/44/74/01/1179447401.db2.gz ROEGKHPWPZALSH-HOTGVXAUSA-N 1 3 293.455 1.376 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001714906511 1179447407 /nfs/dbraw/zinc/44/74/07/1179447407.db2.gz ROEGKHPWPZALSH-HOTGVXAUSA-N 1 3 293.455 1.376 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001715493154 1179681560 /nfs/dbraw/zinc/68/15/60/1179681560.db2.gz RNGLJPHQJBENFZ-AWEZNQCLSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001715491980 1179681999 /nfs/dbraw/zinc/68/19/99/1179681999.db2.gz PDIQRSXICAYMBZ-CQSZACIVSA-N 1 3 281.444 1.777 10 30 CDEEHO C=CC[NH2+]CCN(CC)C(=O)CN(C)CC(C)(C)C ZINC001715758119 1179793750 /nfs/dbraw/zinc/79/37/50/1179793750.db2.gz SUWDNTSSNMWNJF-UHFFFAOYSA-N 1 3 269.433 1.588 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)CCC)C1 ZINC001717883859 1180912202 /nfs/dbraw/zinc/91/22/02/1180912202.db2.gz FBSLQUKAJNBGET-CABCVRRESA-N 1 3 279.428 1.226 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001725602733 1182070936 /nfs/dbraw/zinc/07/09/36/1182070936.db2.gz FSDKVQXWGVVMKX-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001731616623 1182481576 /nfs/dbraw/zinc/48/15/76/1182481576.db2.gz GVGLRIOQTGGJJF-ZDUSSCGKSA-N 1 3 267.417 1.082 10 30 CDEEHO C=CCCC[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001734328708 1183734588 /nfs/dbraw/zinc/73/45/88/1183734588.db2.gz OQGXSVYOICNMPC-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)CC[N@H+](C)CC)C1 ZINC001691866707 1164289385 /nfs/dbraw/zinc/28/93/85/1164289385.db2.gz FCKACYILBCAOEV-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)CC[N@@H+](C)CC)C1 ZINC001691866707 1164289393 /nfs/dbraw/zinc/28/93/93/1164289393.db2.gz FCKACYILBCAOEV-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001671089956 1164415279 /nfs/dbraw/zinc/41/52/79/1164415279.db2.gz DYWQDEZPYDCXJY-QGZVFWFLSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001671089956 1164415281 /nfs/dbraw/zinc/41/52/81/1164415281.db2.gz DYWQDEZPYDCXJY-QGZVFWFLSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001568685411 1167539836 /nfs/dbraw/zinc/53/98/36/1167539836.db2.gz WZMFHTUTVKHOBV-LSDHHAIUSA-N 1 3 279.428 1.367 10 30 CDEEHO C=C(C)CN1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266325449 894396840 /nfs/dbraw/zinc/39/68/40/894396840.db2.gz NNAPQXYDXVCTGP-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)CN1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266325449 894396851 /nfs/dbraw/zinc/39/68/51/894396851.db2.gz NNAPQXYDXVCTGP-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266362615 894569864 /nfs/dbraw/zinc/56/98/64/894569864.db2.gz NMQSQPWSRIDTOK-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001567633687 1168896653 /nfs/dbraw/zinc/89/66/53/1168896653.db2.gz MWTSGPDETOEABG-GOEBONIOSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](CC)N(C)C ZINC001268112517 901319604 /nfs/dbraw/zinc/31/96/04/901319604.db2.gz VXIHGICXPLIIDJ-KBPBESRZSA-N 1 3 267.417 1.080 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1CCC)C(C)C ZINC001268211820 901581548 /nfs/dbraw/zinc/58/15/48/901581548.db2.gz HZACXBGWJRAWLJ-HOTGVXAUSA-N 1 3 293.455 1.615 10 30 CDEEHO CC#CC[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001567752415 1168951291 /nfs/dbraw/zinc/95/12/91/1168951291.db2.gz RMAWATHXMDCOQD-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO CC#CC[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001567752415 1168951298 /nfs/dbraw/zinc/95/12/98/1168951298.db2.gz RMAWATHXMDCOQD-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001271720701 906632782 /nfs/dbraw/zinc/63/27/82/906632782.db2.gz FLHIYKJPGUYSOW-CABCVRRESA-N 1 3 279.428 1.034 10 30 CDEEHO C#CCC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001485260626 916704269 /nfs/dbraw/zinc/70/42/69/916704269.db2.gz SZUKXGVGKPNETA-UHFFFAOYSA-N 1 3 276.384 1.050 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001485386481 916937495 /nfs/dbraw/zinc/93/74/95/916937495.db2.gz AEAUXEMRGZUGCZ-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CC[NH2+][C@H](CCN(C)C(=O)CN(C)C(C)C)C(C)C ZINC001485440951 916972157 /nfs/dbraw/zinc/97/21/57/916972157.db2.gz CMBXHIFNXAKLPV-MRXNPFEDSA-N 1 3 295.471 1.813 10 30 CDEEHO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001486438627 921016407 /nfs/dbraw/zinc/01/64/07/921016407.db2.gz SDELFELDDJKAMD-UKRRQHHQSA-N 1 3 279.428 1.177 10 30 CDEEHO CC#CC[N@H+](CC)CCCNC(=O)CN(C)C(C)C ZINC001266112516 944685547 /nfs/dbraw/zinc/68/55/47/944685547.db2.gz RHMAKRDMUXIXSB-UHFFFAOYSA-N 1 3 267.417 1.178 10 30 CDEEHO CC#CC[N@@H+](CC)CCCNC(=O)CN(C)C(C)C ZINC001266112516 944685555 /nfs/dbraw/zinc/68/55/55/944685555.db2.gz RHMAKRDMUXIXSB-UHFFFAOYSA-N 1 3 267.417 1.178 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001491061602 936847675 /nfs/dbraw/zinc/84/76/75/936847675.db2.gz PLSCHEHQRGLOQL-XHSDSOJGSA-N 1 3 291.439 1.509 10 30 CDEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC)CCC2)CC1 ZINC001273201314 924537629 /nfs/dbraw/zinc/53/76/29/924537629.db2.gz LDYPZNUWYNDGOS-UHFFFAOYSA-N 1 3 291.439 1.370 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001568500221 1169333536 /nfs/dbraw/zinc/33/35/36/1169333536.db2.gz GRQZPRJCBBNJDK-UHFFFAOYSA-N 1 3 297.443 1.064 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001274152710 931205695 /nfs/dbraw/zinc/20/56/95/931205695.db2.gz HIDRCFWKZPFRQN-MOEXGYKKSA-N 1 3 291.439 1.392 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001274152710 931205703 /nfs/dbraw/zinc/20/57/03/931205703.db2.gz HIDRCFWKZPFRQN-MOEXGYKKSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001274753674 931567760 /nfs/dbraw/zinc/56/77/60/931567760.db2.gz XYTMRPHMCWWMRA-OLZOCXBDSA-N 1 3 253.390 1.140 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001276866387 941660462 /nfs/dbraw/zinc/66/04/62/941660462.db2.gz CSZRXHUQQWYGBZ-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001276866387 941660464 /nfs/dbraw/zinc/66/04/64/941660464.db2.gz CSZRXHUQQWYGBZ-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCC1 ZINC001277678550 943319089 /nfs/dbraw/zinc/31/90/89/943319089.db2.gz VZKUPPDVUQXAIR-OAHLLOKOSA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CCN(CCCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001265173250 944259789 /nfs/dbraw/zinc/25/97/89/944259789.db2.gz YQZYYTXRODHCNF-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480666067 971831038 /nfs/dbraw/zinc/83/10/38/971831038.db2.gz RJAPAUDFVUZVBW-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCN(CCC)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001493297239 972009989 /nfs/dbraw/zinc/00/99/89/972009989.db2.gz KHVAEIWWYHLYJW-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/75/34/00/956753400.db2.gz OYULDOASONOYMB-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001331001570 956753405 /nfs/dbraw/zinc/75/34/05/956753405.db2.gz OYULDOASONOYMB-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001331347759 956982014 /nfs/dbraw/zinc/98/20/14/956982014.db2.gz OPHXGTBUQSKQIM-JKSUJKDBSA-N 1 3 295.471 1.975 10 30 CDEEHO C=CC[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001317883876 957810479 /nfs/dbraw/zinc/81/04/79/957810479.db2.gz GWVUKIVJZQBAJF-UHFFFAOYSA-N 1 3 279.428 1.439 10 30 CDEEHO C=CC[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001317883876 957810492 /nfs/dbraw/zinc/81/04/92/957810492.db2.gz GWVUKIVJZQBAJF-UHFFFAOYSA-N 1 3 279.428 1.439 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@](C)(C[NH2+]CC)C2CC2)CC1 ZINC001318728778 958247404 /nfs/dbraw/zinc/24/74/04/958247404.db2.gz PKELMJNGWXAWML-QGZVFWFLSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CCC[NH2+][C@@H](CC)CNC(=O)Cc1nc[nH]c1C ZINC001495099380 972406993 /nfs/dbraw/zinc/40/69/93/972406993.db2.gz SEZVVUAHVOBOOC-LBPRGKRZSA-N 1 3 264.373 1.321 10 30 CDEEHO C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C ZINC001320694587 959332377 /nfs/dbraw/zinc/33/23/77/959332377.db2.gz QXHVDRBDKLRETE-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1CC ZINC001569343106 1169772942 /nfs/dbraw/zinc/77/29/42/1169772942.db2.gz PCTTVYYXCWRYQO-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCN1CCC(NC(=O)NC[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001336004762 960147670 /nfs/dbraw/zinc/14/76/70/960147670.db2.gz XNFBORHWQFIPTH-QWHCGFSZSA-N 1 3 280.416 1.063 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)CCC ZINC001496915884 973143347 /nfs/dbraw/zinc/14/33/47/973143347.db2.gz NKWMUOKEFBMVPZ-CABCVRRESA-N 1 3 279.428 1.226 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001497991043 973600762 /nfs/dbraw/zinc/60/07/62/973600762.db2.gz RZBSTXROLSNOFJ-CQSZACIVSA-N 1 3 287.407 1.479 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001499101313 974185419 /nfs/dbraw/zinc/18/54/19/974185419.db2.gz XDEYZQXQLDKDPX-UONOGXRCSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001499101313 974185425 /nfs/dbraw/zinc/18/54/25/974185425.db2.gz XDEYZQXQLDKDPX-UONOGXRCSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001499244215 974222211 /nfs/dbraw/zinc/22/22/11/974222211.db2.gz YBVKDFRSWBRNSY-AWEZNQCLSA-N 1 3 279.428 1.675 10 30 CDEEHO C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001500225551 974406098 /nfs/dbraw/zinc/40/60/98/974406098.db2.gz LYZDUSOIQWVLAW-HOCLYGCPSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001500225551 974406101 /nfs/dbraw/zinc/40/61/01/974406101.db2.gz LYZDUSOIQWVLAW-HOCLYGCPSA-N 1 3 299.434 1.823 10 30 CDEEHO C#CC[NH2+]C[C@@H](CCCC)NC(=O)CN1CC[C@H](C)C1 ZINC001506549762 975177938 /nfs/dbraw/zinc/17/79/38/975177938.db2.gz UAFOCXSDXFOLTE-LSDHHAIUSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001507029666 975299790 /nfs/dbraw/zinc/29/97/90/975299790.db2.gz XNTRRQRFKNUIJU-GOEBONIOSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CC[NH+]1CCC([C@H](C)NC(=O)CN(C)C2CCC2)CC1 ZINC001508072216 975598992 /nfs/dbraw/zinc/59/89/92/975598992.db2.gz APHSFBVABKWAOG-AWEZNQCLSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001570740077 1170264437 /nfs/dbraw/zinc/26/44/37/1170264437.db2.gz LDOZWOACSZZRBM-CVEARBPZSA-N 1 3 293.455 1.709 10 30 CDEEHO C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001570740077 1170264445 /nfs/dbraw/zinc/26/44/45/1170264445.db2.gz LDOZWOACSZZRBM-CVEARBPZSA-N 1 3 293.455 1.709 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001571493991 1170453367 /nfs/dbraw/zinc/45/33/67/1170453367.db2.gz YDBQHEPCGTWFLD-KGLIPLIRSA-N 1 3 267.417 1.482 10 30 CDEEHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H](N)CCCCC#N)C1 ZINC000594437770 342906001 /nfs/dbraw/zinc/90/60/01/342906001.db2.gz PFICNWILOPWIGX-RRFJBIMHSA-N 1 3 292.427 1.340 10 30 CDEEHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H](N)CCCCC#N)C1 ZINC000594437770 342906002 /nfs/dbraw/zinc/90/60/02/342906002.db2.gz PFICNWILOPWIGX-RRFJBIMHSA-N 1 3 292.427 1.340 10 30 CDEEHO CCCC[NH+]1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594436992 342903728 /nfs/dbraw/zinc/90/37/28/342903728.db2.gz HFTLFNDPYXCBFC-HNNXBMFYSA-N 1 3 294.443 1.778 10 30 CDEEHO C[C@H](C[C@@](C)(N)C#N)N1CCC(C[NH+](C)C)CC1 ZINC000084293407 178846184 /nfs/dbraw/zinc/84/61/84/178846184.db2.gz KFMXZUMVRJDBKE-TZMCWYRMSA-N 1 3 252.406 1.280 10 30 CDEEHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1ccc(C#N)cc1 ZINC000422986838 374366829 /nfs/dbraw/zinc/36/68/29/374366829.db2.gz DKSBAYCVPWXYEL-XJKSGUPXSA-N 1 3 273.380 1.915 10 30 CDEEHO COCCN(Cc1cc(C#CC[NH3+])cs1)[C@@H](C)COC ZINC000043689110 175096081 /nfs/dbraw/zinc/09/60/81/175096081.db2.gz MKSWQQXCVRDWAG-ZDUSSCGKSA-N 1 3 296.436 1.542 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001672863492 1173805564 /nfs/dbraw/zinc/80/55/64/1173805564.db2.gz MXKBTBVJNUCWDM-CABCVRRESA-N 1 3 279.428 1.342 10 30 CDEEHO COC1CCN(C2(CNC(=[NH2+])NC3CC3)CCCC2)CC1 ZINC000263132328 330044933 /nfs/dbraw/zinc/04/49/33/330044933.db2.gz HDSFLLDJDSYOLT-UHFFFAOYSA-N 1 3 294.443 1.477 10 30 CDEEHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001691955519 1175657470 /nfs/dbraw/zinc/65/74/70/1175657470.db2.gz XUIQKIYEZRKIBU-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001732359327 1159784719 /nfs/dbraw/zinc/78/47/19/1159784719.db2.gz BMKWEKZWUBZDRW-UONOGXRCSA-N 1 3 267.417 1.246 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001670793516 1159851914 /nfs/dbraw/zinc/85/19/14/1159851914.db2.gz SOVKRUIRCROADA-UHFFFAOYSA-N 1 3 265.401 1.285 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001268716954 1160007761 /nfs/dbraw/zinc/00/77/61/1160007761.db2.gz OJYREOFSOKTBGD-UONOGXRCSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001700780001 1177130547 /nfs/dbraw/zinc/13/05/47/1177130547.db2.gz HORBMSMNJYNRIE-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001733046099 1160470005 /nfs/dbraw/zinc/47/00/05/1160470005.db2.gz VNUWIEWLZBXVFW-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001733046099 1160470007 /nfs/dbraw/zinc/47/00/07/1160470007.db2.gz VNUWIEWLZBXVFW-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001483227244 1160812316 /nfs/dbraw/zinc/81/23/16/1160812316.db2.gz XYTMRPHMCWWMRA-STQMWFEESA-N 1 3 253.390 1.140 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)CC(C)C ZINC000900586147 623297207 /nfs/dbraw/zinc/29/72/07/623297207.db2.gz HWKBMUHIHMFELA-UHFFFAOYSA-N 1 3 269.433 1.541 10 30 CDEEHO CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001690317324 1175435318 /nfs/dbraw/zinc/43/53/18/1175435318.db2.gz GBFXZXZXAKHHGN-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000876728249 693963421 /nfs/dbraw/zinc/96/34/21/693963421.db2.gz ZAUMIELEDJPYBU-TUAOUCFPSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876728249 693963427 /nfs/dbraw/zinc/96/34/27/693963427.db2.gz ZAUMIELEDJPYBU-TUAOUCFPSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000876967321 688332377 /nfs/dbraw/zinc/33/23/77/688332377.db2.gz FBUVVPIEUZGDBS-JSGCOSHPSA-N 1 3 299.846 1.980 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000876967321 688332382 /nfs/dbraw/zinc/33/23/82/688332382.db2.gz FBUVVPIEUZGDBS-JSGCOSHPSA-N 1 3 299.846 1.980 10 30 CDEEHO CCCCCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303694559 692645941 /nfs/dbraw/zinc/64/59/41/692645941.db2.gz DAQVTUCZPMTMPR-CYBMUJFWSA-N 1 3 254.422 1.955 10 30 CDEEHO COC[C@@H](C)NC(=[NH2+])NCCN(C)C1CCCCC1 ZINC000303897655 694870631 /nfs/dbraw/zinc/87/06/31/694870631.db2.gz QTHCFHFXRAIMQF-GFCCVEGCSA-N 1 3 270.421 1.190 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCN1C ZINC001691347965 1159029187 /nfs/dbraw/zinc/02/91/87/1159029187.db2.gz VJHYFVOJEAKIIR-OWCLPIDISA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001567177172 1168607564 /nfs/dbraw/zinc/60/75/64/1168607564.db2.gz SKRRMQIAYCFUKC-KGLIPLIRSA-N 1 3 288.395 1.301 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001671849186 1173716639 /nfs/dbraw/zinc/71/66/39/1173716639.db2.gz JSLSSBXMICGAPB-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001690737886 1175559813 /nfs/dbraw/zinc/55/98/13/1175559813.db2.gz AFQHHUULNFGNSC-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001699034682 1176051774 /nfs/dbraw/zinc/05/17/74/1176051774.db2.gz POXDQMJNRCIDKF-KGLIPLIRSA-N 1 3 290.411 1.711 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699310482 1176212648 /nfs/dbraw/zinc/21/26/48/1176212648.db2.gz YKQHDIKAHBURNC-MOEXGYKKSA-N 1 3 295.402 1.094 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001699310482 1176212656 /nfs/dbraw/zinc/21/26/56/1176212656.db2.gz YKQHDIKAHBURNC-MOEXGYKKSA-N 1 3 295.402 1.094 10 30 CDEEHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001699742801 1176600595 /nfs/dbraw/zinc/60/05/95/1176600595.db2.gz JLAQAVQTOGUGEZ-KGLIPLIRSA-N 1 3 267.417 1.482 10 30 CDEEHO C#CCNC1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001700141680 1176768491 /nfs/dbraw/zinc/76/84/91/1176768491.db2.gz GFOXIZWBVHOYNJ-HUUCEWRRSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001707113816 1177954049 /nfs/dbraw/zinc/95/40/49/1177954049.db2.gz CRIJBTBSVKQDDC-HRCADAONSA-N 1 3 293.455 1.779 10 30 CDEEHO CC#CCN[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001713339182 1178508560 /nfs/dbraw/zinc/50/85/60/1178508560.db2.gz CRINAPIGAGIYEU-OAHLLOKOSA-N 1 3 279.428 1.370 10 30 CDEEHO C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001713418820 1178549907 /nfs/dbraw/zinc/54/99/07/1178549907.db2.gz KKQXAMZJCYAFTI-CABCVRRESA-N 1 3 279.428 1.367 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001713564797 1178651025 /nfs/dbraw/zinc/65/10/25/1178651025.db2.gz LJEPLEQXZQHLAP-GDBMZVCRSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001713755657 1178740218 /nfs/dbraw/zinc/74/02/18/1178740218.db2.gz FUIFMDSMUBMXMO-JKSUJKDBSA-N 1 3 293.455 1.685 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001713755657 1178740224 /nfs/dbraw/zinc/74/02/24/1178740224.db2.gz FUIFMDSMUBMXMO-JKSUJKDBSA-N 1 3 293.455 1.685 10 30 CDEEHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001713854940 1178794254 /nfs/dbraw/zinc/79/42/54/1178794254.db2.gz IOVSYNHBUHPACP-HNNXBMFYSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001714116073 1178981050 /nfs/dbraw/zinc/98/10/50/1178981050.db2.gz XFWWPNQSBHSOKN-INIZCTEOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]Cc1ccc(CNC(=O)CN(C)C(C)C)cc1 ZINC001714323530 1179084407 /nfs/dbraw/zinc/08/44/07/1179084407.db2.gz LDYGHYUCDXJHMR-UHFFFAOYSA-N 1 3 289.423 1.919 10 30 CDEEHO C=C(C)CN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001715006699 1179504374 /nfs/dbraw/zinc/50/43/74/1179504374.db2.gz YCEIAOIQDAGSQE-OAHLLOKOSA-N 1 3 279.428 1.629 10 30 CDEEHO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001716174065 1180083872 /nfs/dbraw/zinc/08/38/72/1180083872.db2.gz KKTXRMNXLGNQRR-CJNGLKHVSA-N 1 3 297.418 1.317 10 30 CDEEHO C#CC[NH2+]C/C=C\CNC(=O)c1cccc(CN(C)C)c1 ZINC001716378627 1180173765 /nfs/dbraw/zinc/17/37/65/1180173765.db2.gz KHKLIVUSIVQWRE-WAYWQWQTSA-N 1 3 285.391 1.257 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001716693071 1180372340 /nfs/dbraw/zinc/37/23/40/1180372340.db2.gz ALJGTICNDUOLMT-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CC[NH+]1CCC(C)(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001716887417 1180453746 /nfs/dbraw/zinc/45/37/46/1180453746.db2.gz LZCZEQCOHMNGBW-OAHLLOKOSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001717826080 1180881457 /nfs/dbraw/zinc/88/14/57/1180881457.db2.gz MTDUCEOVSVBTIQ-JKSUJKDBSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CCN1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001725242509 1181935290 /nfs/dbraw/zinc/93/52/90/1181935290.db2.gz ONKATWGNGPXASK-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001732501697 1182991350 /nfs/dbraw/zinc/99/13/50/1182991350.db2.gz VBDJNVFUYZWOPV-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO CC#CCNCCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001732800411 1183129515 /nfs/dbraw/zinc/12/95/15/1183129515.db2.gz ULIIKYXLALLDDI-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCCN(C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001734554568 1183823577 /nfs/dbraw/zinc/82/35/77/1183823577.db2.gz NRLDJPRAWPAKGR-OAHLLOKOSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCCN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001734554568 1183823584 /nfs/dbraw/zinc/82/35/84/1183823584.db2.gz NRLDJPRAWPAKGR-OAHLLOKOSA-N 1 3 279.428 1.130 10 30 CDEEHO C=CC[NH2+]C1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001734596664 1183839579 /nfs/dbraw/zinc/83/95/79/1183839579.db2.gz BQVOXYUWTNQTFV-UHFFFAOYSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000876751701 723088108 /nfs/dbraw/zinc/08/81/08/723088108.db2.gz VTIBXVCMLBZNBS-KOLCDFICSA-N 1 3 259.781 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000876751701 723088112 /nfs/dbraw/zinc/08/81/12/723088112.db2.gz VTIBXVCMLBZNBS-KOLCDFICSA-N 1 3 259.781 1.055 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000876883161 723513877 /nfs/dbraw/zinc/51/38/77/723513877.db2.gz ARCHPQNMPVZLAH-VXGBXAGGSA-N 1 3 273.808 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000877054428 723657417 /nfs/dbraw/zinc/65/74/17/723657417.db2.gz HWAUZDULSCLLAA-LBPRGKRZSA-N 1 3 295.770 1.577 10 30 CDEEHO C#C[C@@H](NC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000827566711 723336462 /nfs/dbraw/zinc/33/64/62/723336462.db2.gz ZIBGEUUENPWMEF-MRXNPFEDSA-N 1 3 264.413 1.877 10 30 CDEEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC[NH2+]CC1 ZINC000852871671 723451227 /nfs/dbraw/zinc/45/12/27/723451227.db2.gz ANHDUBKDENQFLY-CVEARBPZSA-N 1 3 289.423 1.075 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001635757719 1166618393 /nfs/dbraw/zinc/61/83/93/1166618393.db2.gz JLXYEMMQCLIQGZ-AWEZNQCLSA-N 1 3 267.417 1.295 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001635757719 1166618394 /nfs/dbraw/zinc/61/83/94/1166618394.db2.gz JLXYEMMQCLIQGZ-AWEZNQCLSA-N 1 3 267.417 1.295 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001566124517 1168241555 /nfs/dbraw/zinc/24/15/55/1168241555.db2.gz WHNBFXVYXOHKIW-HOTGVXAUSA-N 1 3 293.455 1.663 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001566124517 1168241561 /nfs/dbraw/zinc/24/15/61/1168241561.db2.gz WHNBFXVYXOHKIW-HOTGVXAUSA-N 1 3 293.455 1.663 10 30 CDEEHO C=CCN1CCC(N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001566699158 1168390901 /nfs/dbraw/zinc/39/09/01/1168390901.db2.gz DUNUMEWPWKTIKW-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001566699158 1168390906 /nfs/dbraw/zinc/39/09/06/1168390906.db2.gz DUNUMEWPWKTIKW-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)Cc1nc[nH]c1C ZINC001567316206 1168675539 /nfs/dbraw/zinc/67/55/39/1168675539.db2.gz RQUVOBXRUSXQTQ-GFCCVEGCSA-N 1 3 278.400 1.663 10 30 CDEEHO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1nc[nH]c1C ZINC001567316206 1168675546 /nfs/dbraw/zinc/67/55/46/1168675546.db2.gz RQUVOBXRUSXQTQ-GFCCVEGCSA-N 1 3 278.400 1.663 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001266734931 895942025 /nfs/dbraw/zinc/94/20/25/895942025.db2.gz CXCHCMCYUCBKDZ-QLFBSQMISA-N 1 3 277.412 1.121 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001266734895 895942181 /nfs/dbraw/zinc/94/21/81/895942181.db2.gz BTVVQVPFQKGRFI-OKILXGFUSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CCC[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001267692945 899300145 /nfs/dbraw/zinc/30/01/45/899300145.db2.gz OSOUERPNCGQAFY-UHFFFAOYSA-N 1 3 281.444 1.588 10 30 CDEEHO C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001268258400 901686614 /nfs/dbraw/zinc/68/66/14/901686614.db2.gz BGDGLFWACBQIIY-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001268258400 901686621 /nfs/dbraw/zinc/68/66/21/901686621.db2.gz BGDGLFWACBQIIY-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001483765086 914716217 /nfs/dbraw/zinc/71/62/17/914716217.db2.gz JTXOWOLVXMBNJK-CYBMUJFWSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001269770827 904104443 /nfs/dbraw/zinc/10/44/43/904104443.db2.gz TYKNDBSCZWHASL-AWEZNQCLSA-N 1 3 290.411 1.747 10 30 CDEEHO C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001484466505 915793254 /nfs/dbraw/zinc/79/32/54/915793254.db2.gz UKRLPYGKSNVISL-HOTGVXAUSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CCC ZINC001484466505 915793263 /nfs/dbraw/zinc/79/32/63/915793263.db2.gz UKRLPYGKSNVISL-HOTGVXAUSA-N 1 3 291.439 1.417 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001485107080 916531064 /nfs/dbraw/zinc/53/10/64/916531064.db2.gz DUZHLLHPYSUUSI-HSBZDZAISA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001485107080 916531078 /nfs/dbraw/zinc/53/10/78/916531078.db2.gz DUZHLLHPYSUUSI-HSBZDZAISA-N 1 3 299.846 1.565 10 30 CDEEHO C=CCN1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001486183858 920791420 /nfs/dbraw/zinc/79/14/20/920791420.db2.gz NDXACYPUHOLQDD-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001275827980 932072438 /nfs/dbraw/zinc/07/24/38/932072438.db2.gz QETCCMBLZHJWQT-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001275827980 932072440 /nfs/dbraw/zinc/07/24/40/932072440.db2.gz QETCCMBLZHJWQT-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490827065 932748295 /nfs/dbraw/zinc/74/82/95/932748295.db2.gz NJAUEMPSHIQTEI-AWEZNQCLSA-N 1 3 279.428 1.627 10 30 CDEEHO C[C@@H]1C[NH2+]C[C@H]1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000925780432 932939626 /nfs/dbraw/zinc/93/96/26/932939626.db2.gz AFBMBBPUGJQJBR-RDTXWAMCSA-N 1 3 298.434 1.720 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001120597654 937815674 /nfs/dbraw/zinc/81/56/74/937815674.db2.gz UAKPPQOMLMTDKK-RRFJBIMHSA-N 1 3 292.427 1.219 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001280379013 942429233 /nfs/dbraw/zinc/42/92/33/942429233.db2.gz SKAOLHWCIFOWJP-SHTZXODSSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001281834056 942623652 /nfs/dbraw/zinc/62/36/52/942623652.db2.gz TVLBILHRQWFKEC-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001281834056 942623656 /nfs/dbraw/zinc/62/36/56/942623656.db2.gz TVLBILHRQWFKEC-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001277495556 942818111 /nfs/dbraw/zinc/81/81/11/942818111.db2.gz GPDYRYMUUUUPKP-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001283184398 942848439 /nfs/dbraw/zinc/84/84/39/942848439.db2.gz AMIOUGCDOVUMJT-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001284132859 943086225 /nfs/dbraw/zinc/08/62/25/943086225.db2.gz SGBFGHBPPRFGAV-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001263179559 943777267 /nfs/dbraw/zinc/77/72/67/943777267.db2.gz QDBSQYUBCLCGCO-SCRDCRAPSA-N 1 3 251.374 1.071 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702746 944474146 /nfs/dbraw/zinc/47/41/46/944474146.db2.gz HJIYSLFMOUJTCO-LSDHHAIUSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702746 944474150 /nfs/dbraw/zinc/47/41/50/944474150.db2.gz HJIYSLFMOUJTCO-LSDHHAIUSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001278503279 948991838 /nfs/dbraw/zinc/99/18/38/948991838.db2.gz AHMQGWPKVJFWMA-KRWDZBQOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001569039192 1169608078 /nfs/dbraw/zinc/60/80/78/1169608078.db2.gz ZUTXLJDPWPIUSO-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001480223324 971635913 /nfs/dbraw/zinc/63/59/13/971635913.db2.gz ACFCARKQTJRAGV-MELADBBJSA-N 1 3 265.401 1.141 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001480668204 971831989 /nfs/dbraw/zinc/83/19/89/971831989.db2.gz JTJLHKJQYDGKDH-OAHLLOKOSA-N 1 3 279.428 1.342 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCOCC1 ZINC001325036384 953692450 /nfs/dbraw/zinc/69/24/50/953692450.db2.gz CQJFHPRVSCJAJV-UHFFFAOYSA-N 1 3 297.443 1.158 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001493112390 971952003 /nfs/dbraw/zinc/95/20/03/971952003.db2.gz XJSIKBICIGJFPW-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001493112390 971952011 /nfs/dbraw/zinc/95/20/11/971952011.db2.gz XJSIKBICIGJFPW-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001329102394 955686279 /nfs/dbraw/zinc/68/62/79/955686279.db2.gz DDEOKDMCYKFSLV-QWHCGFSZSA-N 1 3 267.417 1.530 10 30 CDEEHO CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001330961145 956729932 /nfs/dbraw/zinc/72/99/32/956729932.db2.gz ICJRTFGRONINKA-LSDHHAIUSA-N 1 3 281.444 1.470 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001340918447 956760936 /nfs/dbraw/zinc/76/09/36/956760936.db2.gz WDDWDSMAOVLPEU-MELADBBJSA-N 1 3 265.401 1.271 10 30 CDEEHO C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001332423771 957559400 /nfs/dbraw/zinc/55/94/00/957559400.db2.gz QAEDWMNTDOJRLP-CYBMUJFWSA-N 1 3 276.384 1.355 10 30 CDEEHO C#CCNC[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001319593734 958644768 /nfs/dbraw/zinc/64/47/68/958644768.db2.gz QMKHXYMQPYFHDK-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001494988416 972365024 /nfs/dbraw/zinc/36/50/24/972365024.db2.gz ZDWXPEOQGIBSRZ-ZIAGYGMSSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001341564879 963465140 /nfs/dbraw/zinc/46/51/40/963465140.db2.gz QFVAMRTXMQLUQN-DCAQKATOSA-N 1 3 293.333 1.266 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001569551570 1169920642 /nfs/dbraw/zinc/92/06/42/1169920642.db2.gz MWGDWWAGMTVQIS-UONOGXRCSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001354645852 968823049 /nfs/dbraw/zinc/82/30/49/968823049.db2.gz UQGCQTLABSKJSJ-WDEREUQCSA-N 1 3 275.343 1.031 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001480624784 970080890 /nfs/dbraw/zinc/08/08/90/970080890.db2.gz UYKZHZJNWKAIGB-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCN1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001506581484 975182948 /nfs/dbraw/zinc/18/29/48/975182948.db2.gz XWVKUEFLNLCUCH-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCN1CCCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001506581484 975182952 /nfs/dbraw/zinc/18/29/52/975182952.db2.gz XWVKUEFLNLCUCH-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001674672181 1173985487 /nfs/dbraw/zinc/98/54/87/1173985487.db2.gz DZZKUMBNUVWXLI-CHWSQXEVSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CC[C@H]1CC[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000651720798 398165588 /nfs/dbraw/zinc/16/55/88/398165588.db2.gz KXICETWIPGUSPD-UONOGXRCSA-N 1 3 252.402 1.778 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594439594 342906513 /nfs/dbraw/zinc/90/65/13/342906513.db2.gz XPCRMCKMVNNCES-GJZGRUSLSA-N 1 3 292.427 1.484 10 30 CDEEHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594439785 342906758 /nfs/dbraw/zinc/90/67/58/342906758.db2.gz ZSVCYMRGBXTVOQ-HUUCEWRRSA-N 1 3 294.443 1.492 10 30 CDEEHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594439785 342906759 /nfs/dbraw/zinc/90/67/59/342906759.db2.gz ZSVCYMRGBXTVOQ-HUUCEWRRSA-N 1 3 294.443 1.492 10 30 CDEEHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000594556747 342915703 /nfs/dbraw/zinc/91/57/03/342915703.db2.gz QNMAOWMZRURJMS-VHDGCEQUSA-N 1 3 286.379 1.014 10 30 CDEEHO Cc1ccc(C#N)nc1NCC[N@@H+](C)CCCN(C)C ZINC000596425886 343311870 /nfs/dbraw/zinc/31/18/70/343311870.db2.gz YBROZDMNHHPFLP-UHFFFAOYSA-N 1 3 275.400 1.557 10 30 CDEEHO Cc1ccc(C#N)nc1NCC[N@H+](C)CCCN(C)C ZINC000596425886 343311871 /nfs/dbraw/zinc/31/18/71/343311871.db2.gz YBROZDMNHHPFLP-UHFFFAOYSA-N 1 3 275.400 1.557 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001661652631 1172422329 /nfs/dbraw/zinc/42/23/29/1172422329.db2.gz CNMGSYOJJWRDTO-KFWWJZLASA-N 1 3 279.428 1.531 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001663257726 1172662232 /nfs/dbraw/zinc/66/22/32/1172662232.db2.gz DTUXQRIKFJYGKS-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001663257726 1172662234 /nfs/dbraw/zinc/66/22/34/1172662234.db2.gz DTUXQRIKFJYGKS-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001663317246 1172671477 /nfs/dbraw/zinc/67/14/77/1172671477.db2.gz DNALNZJMJOQJHF-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCN1CC[C@H](N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662291932 414618310 /nfs/dbraw/zinc/61/83/10/414618310.db2.gz ATGPHWHNLGPFKI-CVEARBPZSA-N 1 3 291.439 1.485 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC(C)(C)O1 ZINC000249446304 261253102 /nfs/dbraw/zinc/25/31/02/261253102.db2.gz LDLVWLBCEZCYDS-CHWSQXEVSA-N 1 3 282.432 1.333 10 30 CDEEHO C[C@H]1CCC[C@](CNC(=[NH2+])NC2CC2)(N(C)C)C1 ZINC000120486603 263283160 /nfs/dbraw/zinc/28/31/60/263283160.db2.gz WZEMKBQIVAWERO-FZMZJTMJSA-N 1 3 252.406 1.564 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001667493206 1173275792 /nfs/dbraw/zinc/27/57/92/1173275792.db2.gz GZUDGUUFGNCUKW-OAHLLOKOSA-N 1 3 295.471 1.718 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001271119647 1160246674 /nfs/dbraw/zinc/24/66/74/1160246674.db2.gz CTLYYYDWJGCKMS-QWHCGFSZSA-N 1 3 278.400 1.743 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001271119648 1160246702 /nfs/dbraw/zinc/24/67/02/1160246702.db2.gz CTLYYYDWJGCKMS-STQMWFEESA-N 1 3 278.400 1.743 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1CCC)C(C)C ZINC001271844153 1160365714 /nfs/dbraw/zinc/36/57/14/1160365714.db2.gz FBRPQUFACGVWDV-JKSUJKDBSA-N 1 3 293.455 1.615 10 30 CDEEHO CC(C)N[C@H](C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000062436818 519738171 /nfs/dbraw/zinc/73/81/71/519738171.db2.gz KDKZNOUKEXUNDA-HNNXBMFYSA-N 1 3 266.433 1.540 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001483592230 1160953847 /nfs/dbraw/zinc/95/38/47/1160953847.db2.gz LDSQDXJKKMNRDU-JKSUJKDBSA-N 1 3 291.439 1.367 10 30 CDEEHO C=CCC[C@@H](O)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923427163 618331916 /nfs/dbraw/zinc/33/19/16/618331916.db2.gz HWRPBWIRZFJBDM-HUUCEWRRSA-N 1 3 252.402 1.779 10 30 CDEEHO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001772514630 1158535382 /nfs/dbraw/zinc/53/53/82/1158535382.db2.gz NDCQQKVNBQXBTM-OAHLLOKOSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCN(CC)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001691023722 1158538929 /nfs/dbraw/zinc/53/89/29/1158538929.db2.gz OZTMNAAQBVSTEC-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN(CC)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001691023722 1158538933 /nfs/dbraw/zinc/53/89/33/1158538933.db2.gz OZTMNAAQBVSTEC-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000876754349 695423429 /nfs/dbraw/zinc/42/34/29/695423429.db2.gz MYSGYSALFGEGPY-NWDGAFQWSA-N 1 3 271.792 1.057 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000876754349 695423433 /nfs/dbraw/zinc/42/34/33/695423433.db2.gz MYSGYSALFGEGPY-NWDGAFQWSA-N 1 3 271.792 1.057 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876753969 695617630 /nfs/dbraw/zinc/61/76/30/695617630.db2.gz AFBKAGQNGBDRKO-CHWSQXEVSA-N 1 3 265.401 1.126 10 30 CDEEHO CN(C)[C@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852855456 695836795 /nfs/dbraw/zinc/83/67/95/695836795.db2.gz ZJBHTDWQISRCMU-QGZVFWFLSA-N 1 3 299.418 1.409 10 30 CDEEHO C#CCC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001502796849 1160355033 /nfs/dbraw/zinc/35/50/33/1160355033.db2.gz ABPZBAUCDZXUHE-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000876717513 1165898468 /nfs/dbraw/zinc/89/84/68/1165898468.db2.gz CKQYKGXCRIXWRN-RYUDHWBXSA-N 1 3 273.808 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000876713598 1165899286 /nfs/dbraw/zinc/89/92/86/1165899286.db2.gz RMHYSZUOJNVARD-OLZOCXBDSA-N 1 3 287.835 1.837 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000876713598 1165899290 /nfs/dbraw/zinc/89/92/90/1165899290.db2.gz RMHYSZUOJNVARD-OLZOCXBDSA-N 1 3 287.835 1.837 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001566811002 1168430928 /nfs/dbraw/zinc/43/09/28/1168430928.db2.gz LTKMXSODGBFYTG-UBHSHLNASA-N 1 3 290.411 1.852 10 30 CDEEHO C=CCC[NH+]1CC([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001570863544 1170305488 /nfs/dbraw/zinc/30/54/88/1170305488.db2.gz HBMPFHFGDTWRGC-ZDUSSCGKSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001662304507 1172524098 /nfs/dbraw/zinc/52/40/98/1172524098.db2.gz YECNRRKDSVDVBM-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001664722245 1172897155 /nfs/dbraw/zinc/89/71/55/1172897155.db2.gz RLUIFLSDYGQLSW-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001664722245 1172897165 /nfs/dbraw/zinc/89/71/65/1172897165.db2.gz RLUIFLSDYGQLSW-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCCC[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001674551537 1173962515 /nfs/dbraw/zinc/96/25/15/1173962515.db2.gz SGZWMIBAGXMWOQ-UHFFFAOYSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCN1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001698574199 1175851874 /nfs/dbraw/zinc/85/18/74/1175851874.db2.gz FRLJVKZPUQLSHD-ZDUSSCGKSA-N 1 3 253.390 1.047 10 30 CDEEHO C=CCN1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001698574199 1175851878 /nfs/dbraw/zinc/85/18/78/1175851878.db2.gz FRLJVKZPUQLSHD-ZDUSSCGKSA-N 1 3 253.390 1.047 10 30 CDEEHO CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001698597385 1175864507 /nfs/dbraw/zinc/86/45/07/1175864507.db2.gz QCSGPIGHLPGMGV-LSDHHAIUSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001698617704 1175873944 /nfs/dbraw/zinc/87/39/44/1175873944.db2.gz GDRODTKGFIPRDN-ZIAGYGMSSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001698620645 1175874574 /nfs/dbraw/zinc/87/45/74/1175874574.db2.gz HHTSKXLYTNACHY-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CC[NH2+]CCC1CCN(C(=O)CN(C)CCC)CC1 ZINC001698700968 1175897868 /nfs/dbraw/zinc/89/78/68/1175897868.db2.gz FALWTYPDDXZNFQ-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001698927535 1175987382 /nfs/dbraw/zinc/98/73/82/1175987382.db2.gz FRYGBZOODVJVHQ-HUUCEWRRSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001699034684 1176052094 /nfs/dbraw/zinc/05/20/94/1176052094.db2.gz POXDQMJNRCIDKF-ZIAGYGMSSA-N 1 3 290.411 1.711 10 30 CDEEHO C=CC[NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1 ZINC001699323452 1176222587 /nfs/dbraw/zinc/22/25/87/1176222587.db2.gz DLOYQWFQYUOEHX-PLNGDYQASA-N 1 3 265.401 1.166 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713391616 1178535804 /nfs/dbraw/zinc/53/58/04/1178535804.db2.gz HKBGDTQOQUSHNM-OWCLPIDISA-N 1 3 291.439 1.273 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713391616 1178535810 /nfs/dbraw/zinc/53/58/10/1178535810.db2.gz HKBGDTQOQUSHNM-OWCLPIDISA-N 1 3 291.439 1.273 10 30 CDEEHO CC#CCN1CC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001713541292 1178634286 /nfs/dbraw/zinc/63/42/86/1178634286.db2.gz KBJSBTOPGKGQHK-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CCN1CC[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001713541292 1178634290 /nfs/dbraw/zinc/63/42/90/1178634290.db2.gz KBJSBTOPGKGQHK-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCCC1 ZINC001714493097 1179168616 /nfs/dbraw/zinc/16/86/16/1179168616.db2.gz HEOOPIMPTKIIEK-OAHLLOKOSA-N 1 3 291.439 1.511 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001714563367 1179219273 /nfs/dbraw/zinc/21/92/73/1179219273.db2.gz GDFMFFQIOPXMBC-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001714563367 1179219279 /nfs/dbraw/zinc/21/92/79/1179219279.db2.gz GDFMFFQIOPXMBC-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001715319073 1179620828 /nfs/dbraw/zinc/62/08/28/1179620828.db2.gz FUZMPHKNYASEDE-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001715682282 1179763152 /nfs/dbraw/zinc/76/31/52/1179763152.db2.gz JUPCUYJQYYUHNO-WCQYABFASA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(C)C[NH2+]CCN(CC)C(=O)CN1CCCC1 ZINC001715773858 1179800151 /nfs/dbraw/zinc/80/01/51/1179800151.db2.gz ODFISSPLSXFRBM-UHFFFAOYSA-N 1 3 253.390 1.096 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001716223828 1180110004 /nfs/dbraw/zinc/11/00/04/1180110004.db2.gz FSKMWNLJEDNESG-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001716223828 1180110008 /nfs/dbraw/zinc/11/00/08/1180110008.db2.gz FSKMWNLJEDNESG-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001716244583 1180117643 /nfs/dbraw/zinc/11/76/43/1180117643.db2.gz ZDMWGZGXQHYIQD-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001716244583 1180117649 /nfs/dbraw/zinc/11/76/49/1180117649.db2.gz ZDMWGZGXQHYIQD-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCN1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001716901664 1180458034 /nfs/dbraw/zinc/45/80/34/1180458034.db2.gz NDZMOYBCZVLKFZ-GOEBONIOSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCN1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001716901664 1180458038 /nfs/dbraw/zinc/45/80/38/1180458038.db2.gz NDZMOYBCZVLKFZ-GOEBONIOSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001717098739 1180530426 /nfs/dbraw/zinc/53/04/26/1180530426.db2.gz HSFZXFFCOKOPRI-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001717370078 1180634133 /nfs/dbraw/zinc/63/41/33/1180634133.db2.gz RYAMYOKQMOQJPE-HUUCEWRRSA-N 1 3 279.428 1.580 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001717370078 1180634135 /nfs/dbraw/zinc/63/41/35/1180634135.db2.gz RYAMYOKQMOQJPE-HUUCEWRRSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001717649541 1180773945 /nfs/dbraw/zinc/77/39/45/1180773945.db2.gz ORFZGWFFPXRRMK-JYJNAYRXSA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001723939164 1181624982 /nfs/dbraw/zinc/62/49/82/1181624982.db2.gz CMFJPDLIGGSTTJ-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001724963979 1181808851 /nfs/dbraw/zinc/80/88/51/1181808851.db2.gz XZQJWPCRNFMTCU-UHFFFAOYSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCN1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001725612530 1182072112 /nfs/dbraw/zinc/07/21/12/1182072112.db2.gz XWJQSYGLVGJBLZ-WMLDXEAASA-N 1 3 291.439 1.627 10 30 CDEEHO C#CCC[N@@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C ZINC001725734086 1182115280 /nfs/dbraw/zinc/11/52/80/1182115280.db2.gz XFESJNITPLZLOR-UHFFFAOYSA-N 1 3 281.444 1.519 10 30 CDEEHO C#CCC[N@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C ZINC001725734086 1182115285 /nfs/dbraw/zinc/11/52/85/1182115285.db2.gz XFESJNITPLZLOR-UHFFFAOYSA-N 1 3 281.444 1.519 10 30 CDEEHO C#CCN1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001725770756 1182125468 /nfs/dbraw/zinc/12/54/68/1182125468.db2.gz YUTJETMSTKFKAF-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001731435239 1182382102 /nfs/dbraw/zinc/38/21/02/1182382102.db2.gz MYXPLZQOGUMRLI-KKUMJFAQSA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001732700693 1183092687 /nfs/dbraw/zinc/09/26/87/1183092687.db2.gz DPKOKVVHXSVSIY-LBPRGKRZSA-N 1 3 287.835 1.708 10 30 CDEEHO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001733287787 1183380258 /nfs/dbraw/zinc/38/02/58/1183380258.db2.gz HSWHAOVTCAGLCN-QGZVFWFLSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001733287787 1183380264 /nfs/dbraw/zinc/38/02/64/1183380264.db2.gz HSWHAOVTCAGLCN-QGZVFWFLSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001733931144 1183573177 /nfs/dbraw/zinc/57/31/77/1183573177.db2.gz WMKCVCVUUBKKQQ-JKSUJKDBSA-N 1 3 291.439 1.437 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001733988299 1183603800 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C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001734549418 1183820859 /nfs/dbraw/zinc/82/08/59/1183820859.db2.gz KBGJRXXWGCPZOV-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000877159814 723695777 /nfs/dbraw/zinc/69/57/77/723695777.db2.gz MCJXJBXLTLOVOB-UONOGXRCSA-N 1 3 295.814 1.533 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000876733176 724039938 /nfs/dbraw/zinc/03/99/38/724039938.db2.gz QTYSUGFJLCMAQG-KGLIPLIRSA-N 1 3 299.846 1.933 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877354410 724575508 /nfs/dbraw/zinc/57/55/08/724575508.db2.gz GWLOYMFSSZCZBM-VGMNWLOBSA-N 1 3 299.724 1.052 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000876522999 723841353 /nfs/dbraw/zinc/84/13/53/723841353.db2.gz HYZRQJQRKZDWLL-MWLCHTKSSA-N 1 3 259.781 1.042 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000876806182 725098979 /nfs/dbraw/zinc/09/89/79/725098979.db2.gz MGORZYZARDEQHE-LLVKDONJSA-N 1 3 259.781 1.009 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000876756100 725395887 /nfs/dbraw/zinc/39/58/87/725395887.db2.gz ZKADIPZGOKFSRI-QWHCGFSZSA-N 1 3 285.819 1.543 10 30 CDEEHO C#CCCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286890 725403859 /nfs/dbraw/zinc/40/38/59/725403859.db2.gz YXCJFIZIYMFBRW-UHFFFAOYSA-N 1 3 250.386 1.587 10 30 CDEEHO C#CCCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286890 725403860 /nfs/dbraw/zinc/40/38/60/725403860.db2.gz YXCJFIZIYMFBRW-UHFFFAOYSA-N 1 3 250.386 1.587 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000876850869 725517326 /nfs/dbraw/zinc/51/73/26/725517326.db2.gz DFMJELYDVIZUMS-AAEUAGOBSA-N 1 3 271.792 1.058 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001566814027 1168037633 /nfs/dbraw/zinc/03/76/33/1168037633.db2.gz VQCHOYJWPBJLNB-KBUPBQIOSA-N 1 3 277.412 1.119 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001566109574 1168238525 /nfs/dbraw/zinc/23/85/25/1168238525.db2.gz RGGXSCWCWBZFDO-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566910508 1168463296 /nfs/dbraw/zinc/46/32/96/1168463296.db2.gz UUJWLSGOOXETQI-CABCVRRESA-N 1 3 279.428 1.034 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001567411881 1168744329 /nfs/dbraw/zinc/74/43/29/1168744329.db2.gz QUBMESNZJACMQX-HUUCEWRRSA-N 1 3 279.428 1.034 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001567411881 1168744335 /nfs/dbraw/zinc/74/43/35/1168744335.db2.gz QUBMESNZJACMQX-HUUCEWRRSA-N 1 3 279.428 1.034 10 30 CDEEHO C#CCN(CCC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001567433143 1168756582 /nfs/dbraw/zinc/75/65/82/1168756582.db2.gz UKHSQLFNCKQKFY-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001267113061 896826644 /nfs/dbraw/zinc/82/66/44/896826644.db2.gz CMNKECXJNTVEID-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001267113061 896826663 /nfs/dbraw/zinc/82/66/63/896826663.db2.gz CMNKECXJNTVEID-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001267201367 897135064 /nfs/dbraw/zinc/13/50/64/897135064.db2.gz MWTSGPDETOEABG-HOCLYGCPSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001481521191 901048229 /nfs/dbraw/zinc/04/82/29/901048229.db2.gz UHWJBPCAUKXZLM-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CCC[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001481521191 901048236 /nfs/dbraw/zinc/04/82/36/901048236.db2.gz UHWJBPCAUKXZLM-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001268292057 901763522 /nfs/dbraw/zinc/76/35/22/901763522.db2.gz PCLHFNHNGQHZRH-OLZOCXBDSA-N 1 3 276.384 1.321 10 30 CDEEHO C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)N(C)C ZINC001268551496 902551412 /nfs/dbraw/zinc/55/14/12/902551412.db2.gz GIDLONJYDIISOA-DANTVBBOSA-N 1 3 267.417 1.411 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001482162948 902780587 /nfs/dbraw/zinc/78/05/87/902780587.db2.gz GHIHMKAYFBCMAM-GFCCVEGCSA-N 1 3 278.400 1.569 10 30 CDEEHO C=C(C)CN1CC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001270650593 904884617 /nfs/dbraw/zinc/88/46/17/904884617.db2.gz WUJYCUHOAMEZQB-ZBFHGGJFSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)CN1CC[C@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001270650593 904884630 /nfs/dbraw/zinc/88/46/30/904884630.db2.gz WUJYCUHOAMEZQB-ZBFHGGJFSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)N(C)C ZINC001482353236 905174852 /nfs/dbraw/zinc/17/48/52/905174852.db2.gz FZTJDWISUVBPJX-OLZOCXBDSA-N 1 3 255.406 1.339 10 30 CDEEHO C#CCNC/C=C\CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483036286 908743398 /nfs/dbraw/zinc/74/33/98/908743398.db2.gz FIUJEFPRFJRAAS-FPLPWBNLSA-N 1 3 291.439 1.536 10 30 CDEEHO C#CCNC/C=C\CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483036286 908743406 /nfs/dbraw/zinc/74/34/06/908743406.db2.gz FIUJEFPRFJRAAS-FPLPWBNLSA-N 1 3 291.439 1.536 10 30 CDEEHO C#CCNC/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001483076515 909288603 /nfs/dbraw/zinc/28/86/03/909288603.db2.gz UAYAJTULOOUQJN-AATRIKPKSA-N 1 3 277.412 1.002 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001483783773 915060920 /nfs/dbraw/zinc/06/09/20/915060920.db2.gz LFLQUSZVEOAMJU-LBPRGKRZSA-N 1 3 253.390 1.141 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCCC1 ZINC001485458857 916991355 /nfs/dbraw/zinc/99/13/55/916991355.db2.gz HBAHKXDFDQNCIG-UHFFFAOYSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001485739288 917234021 /nfs/dbraw/zinc/23/40/21/917234021.db2.gz PJZBOQAVLGRYPE-HUUCEWRRSA-N 1 3 281.444 1.779 10 30 CDEEHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001649464317 1169266264 /nfs/dbraw/zinc/26/62/64/1169266264.db2.gz QFWAFUKSNASTRF-LSDHHAIUSA-N 1 3 293.455 1.424 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001273202168 924591408 /nfs/dbraw/zinc/59/14/08/924591408.db2.gz QXTAAHRLTWNATA-GJZGRUSLSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CC[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001568678054 1169426655 /nfs/dbraw/zinc/42/66/55/1169426655.db2.gz KBUXCRSSHZCLQI-CYBMUJFWSA-N 1 3 267.417 1.082 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001277101681 941955201 /nfs/dbraw/zinc/95/52/01/941955201.db2.gz IWSHUFPQGZLSKC-HNNXBMFYSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001277101681 941955204 /nfs/dbraw/zinc/95/52/04/941955204.db2.gz IWSHUFPQGZLSKC-HNNXBMFYSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001281957666 942636807 /nfs/dbraw/zinc/63/68/07/942636807.db2.gz SZDJXVVKGDOBHU-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001281957666 942636810 /nfs/dbraw/zinc/63/68/10/942636810.db2.gz 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1179203417 /nfs/dbraw/zinc/20/34/17/1179203417.db2.gz DZNOPYZUTUUZRN-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO CCCN[C@@H](C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000062436817 519981592 /nfs/dbraw/zinc/98/15/92/519981592.db2.gz WFNATLZFALEGFU-OAHLLOKOSA-N 1 3 266.433 1.542 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333151908 526595797 /nfs/dbraw/zinc/59/57/97/526595797.db2.gz FIJWCYMTXDHCLM-HNNXBMFYSA-N 1 3 294.443 1.468 10 30 CDEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001688885965 1175055212 /nfs/dbraw/zinc/05/52/12/1175055212.db2.gz FILFRUKNYHFRCF-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218755 613746053 /nfs/dbraw/zinc/74/60/53/613746053.db2.gz YYVXXHGXGUPCHO-ZIAGYGMSSA-N 1 3 279.428 1.341 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218755 613746055 /nfs/dbraw/zinc/74/60/55/613746055.db2.gz YYVXXHGXGUPCHO-ZIAGYGMSSA-N 1 3 279.428 1.341 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001700257394 1158943934 /nfs/dbraw/zinc/94/39/34/1158943934.db2.gz AAOBGHWKROIPLY-HIFRSBDPSA-N 1 3 279.428 1.483 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)CC(=C)C)CC1 ZINC001691055685 1158847435 /nfs/dbraw/zinc/84/74/35/1158847435.db2.gz HLXGRVFZMVPNTI-UHFFFAOYSA-N 1 3 291.439 1.346 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)CC(=C)C)CC1 ZINC001691055685 1158847446 /nfs/dbraw/zinc/84/74/46/1158847446.db2.gz HLXGRVFZMVPNTI-UHFFFAOYSA-N 1 3 291.439 1.346 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001698862158 1159133706 /nfs/dbraw/zinc/13/37/06/1159133706.db2.gz VIJLYRMZYRZAAN-AWEZNQCLSA-N 1 3 269.433 1.729 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000876844416 1165925404 /nfs/dbraw/zinc/92/54/04/1165925404.db2.gz ZTLQGRLTHRELBT-CQSZACIVSA-N 1 3 295.814 1.486 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001566461380 1168287499 /nfs/dbraw/zinc/28/74/99/1168287499.db2.gz 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C#CCC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001714230866 1179035333 /nfs/dbraw/zinc/03/53/33/1179035333.db2.gz XEEHWGJSXPEWMZ-CQSZACIVSA-N 1 3 288.395 1.194 10 30 CDEEHO C#CC[N@@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001714912526 1179450221 /nfs/dbraw/zinc/45/02/21/1179450221.db2.gz GHJBBPIEEJAUQF-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001714912526 1179450223 /nfs/dbraw/zinc/45/02/23/1179450223.db2.gz GHJBBPIEEJAUQF-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715023659 1179515033 /nfs/dbraw/zinc/51/50/33/1179515033.db2.gz PLNXHQACKHRENB-CQSZACIVSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001715842312 1179863545 /nfs/dbraw/zinc/86/35/45/1179863545.db2.gz WAFUHSWYNKERLZ-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001715842312 1179863556 /nfs/dbraw/zinc/86/35/56/1179863556.db2.gz WAFUHSWYNKERLZ-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC(C)C)CC2)CC1 ZINC001716700455 1180377023 /nfs/dbraw/zinc/37/70/23/1180377023.db2.gz CTMCGRFSNFSWAD-UHFFFAOYSA-N 1 3 291.439 1.226 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001716988505 1180493977 /nfs/dbraw/zinc/49/39/77/1180493977.db2.gz BQSHMWFKXHWXAL-UONOGXRCSA-N 1 3 290.411 1.603 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001717358898 1180627638 /nfs/dbraw/zinc/62/76/38/1180627638.db2.gz WDYSPHQKGRGJSL-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001717376833 1180637679 /nfs/dbraw/zinc/63/76/79/1180637679.db2.gz YVYAOGNHTMAJBS-MRXNPFEDSA-N 1 3 293.455 1.971 10 30 CDEEHO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001717376833 1180637684 /nfs/dbraw/zinc/63/76/84/1180637684.db2.gz YVYAOGNHTMAJBS-MRXNPFEDSA-N 1 3 293.455 1.971 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001723297261 1181533766 /nfs/dbraw/zinc/53/37/66/1181533766.db2.gz FMPUBMRAZYPZSM-JKSUJKDBSA-N 1 3 291.439 1.367 10 30 CDEEHO CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001725451181 1182005219 /nfs/dbraw/zinc/00/52/19/1182005219.db2.gz CWVCBHQETQIZDC-JKSUJKDBSA-N 1 3 293.455 1.759 10 30 CDEEHO C#CCC[N@@H+](CC)CCNC(=O)CN(C)CC(C)(C)C ZINC001731810675 1182599235 /nfs/dbraw/zinc/59/92/35/1182599235.db2.gz HGLFXNHYWZFUFU-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO C#CCC[N@H+](CC)CCNC(=O)CN(C)CC(C)(C)C ZINC001731810675 1182599230 /nfs/dbraw/zinc/59/92/30/1182599230.db2.gz HGLFXNHYWZFUFU-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO C=C(C)CCN1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001733221512 1183349792 /nfs/dbraw/zinc/34/97/92/1183349792.db2.gz CZMJXRQQVLQGQZ-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001733767195 1183525702 /nfs/dbraw/zinc/52/57/02/1183525702.db2.gz RWWOCUMXJGDLJJ-OAHLLOKOSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001733767195 1183525703 /nfs/dbraw/zinc/52/57/03/1183525703.db2.gz RWWOCUMXJGDLJJ-OAHLLOKOSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000876862636 726019748 /nfs/dbraw/zinc/01/97/48/726019748.db2.gz SCUNSTIUSZLYIO-GFCCVEGCSA-N 1 3 267.760 1.814 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000876708509 726829041 /nfs/dbraw/zinc/82/90/41/726829041.db2.gz SDBQSZNLLLLHJD-UONOGXRCSA-N 1 3 295.814 1.875 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000876840433 726890524 /nfs/dbraw/zinc/89/05/24/726890524.db2.gz SASKEUQXCPTOKH-MELADBBJSA-N 1 3 293.798 1.410 10 30 CDEEHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000863552051 727280540 /nfs/dbraw/zinc/28/05/40/727280540.db2.gz OXGNHSQPJDEMBH-MJBXVCDLSA-N 1 3 265.401 1.504 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000876536258 727287752 /nfs/dbraw/zinc/28/77/52/727287752.db2.gz AITCNTWDLANJIJ-CYBMUJFWSA-N 1 3 287.835 1.885 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000876855704 727344891 /nfs/dbraw/zinc/34/48/91/727344891.db2.gz ZREUMHAQVOJURI-LBPRGKRZSA-N 1 3 295.770 1.577 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000876748310 727461898 /nfs/dbraw/zinc/46/18/98/727461898.db2.gz BAQPQRDLEVWXAN-GHMZBOCLSA-N 1 3 259.781 1.009 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCSC ZINC000304755780 728098577 /nfs/dbraw/zinc/09/85/77/728098577.db2.gz NBACPGFPXXKPPT-LBPRGKRZSA-N 1 3 272.462 1.518 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000876838479 728355653 /nfs/dbraw/zinc/35/56/53/728355653.db2.gz KMTFYUXQOSLJND-MNOVXSKESA-N 1 3 259.781 1.044 10 30 CDEEHO C=C(C)CN1CC[C@H](N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567914161 1168072518 /nfs/dbraw/zinc/07/25/18/1168072518.db2.gz AADZTNNCRAUCOM-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CN1CC[C@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567914161 1168072521 /nfs/dbraw/zinc/07/25/21/1168072521.db2.gz AADZTNNCRAUCOM-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001566825798 1168433284 /nfs/dbraw/zinc/43/32/84/1168433284.db2.gz BEZAROFWUVHQOW-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001566825798 1168433287 /nfs/dbraw/zinc/43/32/87/1168433287.db2.gz BEZAROFWUVHQOW-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001566871389 1168453367 /nfs/dbraw/zinc/45/33/67/1168453367.db2.gz BGEQSUWFEQCAIX-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001566871389 1168453370 /nfs/dbraw/zinc/45/33/70/1168453370.db2.gz BGEQSUWFEQCAIX-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001272566620 913454552 /nfs/dbraw/zinc/45/45/52/913454552.db2.gz ZZJOICJFLXIUFS-HZPDHXFCSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267697244 899314370 /nfs/dbraw/zinc/31/43/70/899314370.db2.gz HOMHKBOQNZZVKT-HNNXBMFYSA-N 1 3 281.444 1.587 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001268396353 901989613 /nfs/dbraw/zinc/98/96/13/901989613.db2.gz IOZUTMYTFSJARB-NSHDSACASA-N 1 3 261.797 1.175 10 30 CDEEHO CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001482392892 905289656 /nfs/dbraw/zinc/28/96/56/905289656.db2.gz JXPGFXFBKVGMAB-CVEARBPZSA-N 1 3 293.455 1.472 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482899491 908465521 /nfs/dbraw/zinc/46/55/21/908465521.db2.gz QICORTMCZZKVDI-VXGBXAGGSA-N 1 3 273.808 1.175 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899491 908465517 /nfs/dbraw/zinc/46/55/17/908465517.db2.gz QICORTMCZZKVDI-VXGBXAGGSA-N 1 3 273.808 1.175 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001483794158 915073478 /nfs/dbraw/zinc/07/34/78/915073478.db2.gz PWKIEUFBGBPOKW-KBPBESRZSA-N 1 3 279.428 1.674 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001483951638 915234224 /nfs/dbraw/zinc/23/42/24/915234224.db2.gz IRPIOCJNMHQFBT-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[NH2+]C[C@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001484118757 915442257 /nfs/dbraw/zinc/44/22/57/915442257.db2.gz GVHUXVFDDKZWRH-KRWDZBQOSA-N 1 3 293.455 1.733 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CCO1 ZINC001484695736 916058309 /nfs/dbraw/zinc/05/83/09/916058309.db2.gz HSTJLHOXNRPNQZ-HUUCEWRRSA-N 1 3 297.443 1.110 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001484910899 916263262 /nfs/dbraw/zinc/26/32/62/916263262.db2.gz YLCNVHDUYDHLMV-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](CC)N(C)C ZINC001485825718 918761909 /nfs/dbraw/zinc/76/19/09/918761909.db2.gz GRJGMIMWXSYCTR-GJZGRUSLSA-N 1 3 279.428 1.177 10 30 CDEEHO CC#CCNC1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001273200704 924496178 /nfs/dbraw/zinc/49/61/78/924496178.db2.gz FINKHJQHCXUCSK-UHFFFAOYSA-N 1 3 291.439 1.514 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001489331255 926876864 /nfs/dbraw/zinc/87/68/64/926876864.db2.gz QSXKCOHIDXMFEV-HNNXBMFYSA-N 1 3 291.439 1.581 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC000824083749 931395636 /nfs/dbraw/zinc/39/56/36/931395636.db2.gz BXNPXDCKOLUWFN-HUUCEWRRSA-N 1 3 291.439 1.177 10 30 CDEEHO C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCN1C)C(C)C ZINC001282561656 942730411 /nfs/dbraw/zinc/73/04/11/942730411.db2.gz HFEMMTSSUHNLPQ-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001266015451 944632859 /nfs/dbraw/zinc/63/28/59/944632859.db2.gz FBFJGZQMLVKBEO-OAHLLOKOSA-N 1 3 295.471 1.979 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266029403 944642824 /nfs/dbraw/zinc/64/28/24/944642824.db2.gz PRVSSNNKQCURPX-GJZGRUSLSA-N 1 3 279.428 1.034 10 30 CDEEHO CC#CCN1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001479987548 971525345 /nfs/dbraw/zinc/52/53/45/971525345.db2.gz ZXLZCYGTLLWDMD-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001479987548 971525352 /nfs/dbraw/zinc/52/53/52/971525352.db2.gz ZXLZCYGTLLWDMD-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001480158272 971606933 /nfs/dbraw/zinc/60/69/33/971606933.db2.gz WZHPPQIXQZRPSK-FZKCQIBNSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CC[N@H+](CC)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001493063154 971935704 /nfs/dbraw/zinc/93/57/04/971935704.db2.gz UWVKRGUQJHJLFZ-UHFFFAOYSA-N 1 3 289.423 1.986 10 30 CDEEHO C=CC[N@@H+](CC)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001493063154 971935710 /nfs/dbraw/zinc/93/57/10/971935710.db2.gz UWVKRGUQJHJLFZ-UHFFFAOYSA-N 1 3 289.423 1.986 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491849718 955467712 /nfs/dbraw/zinc/46/77/12/955467712.db2.gz KYJLPJCXUYIJRV-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C ZINC001492128885 955640538 /nfs/dbraw/zinc/64/05/38/955640538.db2.gz HWXQAJADOIRIOV-CYBMUJFWSA-N 1 3 255.406 1.387 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)N(C)C ZINC001316702157 956192683 /nfs/dbraw/zinc/19/26/83/956192683.db2.gz RYPFGZOIELYDAR-OWCLPIDISA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)N(C)C)C1 ZINC001330020078 956236168 /nfs/dbraw/zinc/23/61/68/956236168.db2.gz GIJFHHHKFMQLSJ-DZGCQCFKSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001494053554 972168122 /nfs/dbraw/zinc/16/81/22/972168122.db2.gz CZBVWSQQCUNBAL-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001494053554 972168124 /nfs/dbraw/zinc/16/81/24/972168124.db2.gz CZBVWSQQCUNBAL-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001330615190 956518053 /nfs/dbraw/zinc/51/80/53/956518053.db2.gz ZVGXUEUNWQHFPR-MGPQQGTHSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001316902737 957109018 /nfs/dbraw/zinc/10/90/18/957109018.db2.gz CTXMMRCMWUIJAI-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001316902737 957109051 /nfs/dbraw/zinc/10/90/51/957109051.db2.gz CTXMMRCMWUIJAI-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001332205575 957476312 /nfs/dbraw/zinc/47/63/12/957476312.db2.gz KVCGXHYVWRAASI-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001332205575 957476317 /nfs/dbraw/zinc/47/63/17/957476317.db2.gz KVCGXHYVWRAASI-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCCN1CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001494918828 972335805 /nfs/dbraw/zinc/33/58/05/972335805.db2.gz MVJSESLRJBWTJL-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCCN1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001494918828 972335809 /nfs/dbraw/zinc/33/58/09/972335809.db2.gz MVJSESLRJBWTJL-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001494988413 972364108 /nfs/dbraw/zinc/36/41/08/972364108.db2.gz ZDWXPEOQGIBSRZ-KGLIPLIRSA-N 1 3 267.417 1.530 10 30 CDEEHO C=C(C)C[NH2+]C[C@](C)(NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001495278595 972463562 /nfs/dbraw/zinc/46/35/62/972463562.db2.gz WWOTUUCWDXOCRY-YOEHRIQHSA-N 1 3 293.455 1.779 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001340846228 963153563 /nfs/dbraw/zinc/15/35/63/963153563.db2.gz JYMXSUPADSQTKR-IGQOVBAYSA-N 1 3 279.428 1.563 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001341625949 963488126 /nfs/dbraw/zinc/48/81/26/963488126.db2.gz FGXGSUJNEISUIM-NSHDSACASA-N 1 3 265.744 1.698 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001522169929 970406178 /nfs/dbraw/zinc/40/61/78/970406178.db2.gz CGQAGTWLEXNUOR-NEPJUHHUSA-N 1 3 251.374 1.071 10 30 CDEEHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001496361023 972896806 /nfs/dbraw/zinc/89/68/06/972896806.db2.gz UVWFRXAMSXTODD-LSDHHAIUSA-N 1 3 293.455 1.424 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001497484394 973364273 /nfs/dbraw/zinc/36/42/73/973364273.db2.gz MJNZCNNJYGWTEV-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001499372263 974245207 /nfs/dbraw/zinc/24/52/07/974245207.db2.gz WBSUAJOZDWZSKV-AWEZNQCLSA-N 1 3 279.428 1.675 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001501091134 974531189 /nfs/dbraw/zinc/53/11/89/974531189.db2.gz LFUSTKKKDXOXBS-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001505445984 974881627 /nfs/dbraw/zinc/88/16/27/974881627.db2.gz BDSIKGCPSYMUPP-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001505445984 974881630 /nfs/dbraw/zinc/88/16/30/974881630.db2.gz BDSIKGCPSYMUPP-HZPDHXFCSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001507089378 975332086 /nfs/dbraw/zinc/33/20/86/975332086.db2.gz MUGFTXNNIKYGCV-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001507292904 975400583 /nfs/dbraw/zinc/40/05/83/975400583.db2.gz MSXWWMFVZQIABC-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCN1CCC ZINC001676222654 1174193292 /nfs/dbraw/zinc/19/32/92/1174193292.db2.gz WKFOWUQALRHPKQ-HOTGVXAUSA-N 1 3 293.455 1.873 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000594450357 342909851 /nfs/dbraw/zinc/90/98/51/342909851.db2.gz ZEKUHZWDWFSUHV-STQMWFEESA-N 1 3 278.400 1.189 10 30 CDEEHO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C1=CCN(C)CC1 ZINC000600736635 342244293 /nfs/dbraw/zinc/24/42/93/342244293.db2.gz SLQXRTLFMXWCDL-OCCSQVGLSA-N 1 3 263.385 1.281 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000594456551 342911647 /nfs/dbraw/zinc/91/16/47/342911647.db2.gz QJAMVKVYFCYYNF-OLZOCXBDSA-N 1 3 266.389 1.031 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000595958739 343196081 /nfs/dbraw/zinc/19/60/81/343196081.db2.gz GYXAPQNJWJMQJB-ZNMIVQPWSA-N 1 3 292.427 1.531 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000595958739 343196083 /nfs/dbraw/zinc/19/60/83/343196083.db2.gz GYXAPQNJWJMQJB-ZNMIVQPWSA-N 1 3 292.427 1.531 10 30 CDEEHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(C#N)cc1 ZINC000600708937 349876825 /nfs/dbraw/zinc/87/68/25/349876825.db2.gz LYLZXWUSKHKSCP-LBPRGKRZSA-N 1 3 259.353 1.717 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001661748816 1172440574 /nfs/dbraw/zinc/44/05/74/1172440574.db2.gz YDIBTRSNMPOUKT-GJZGRUSLSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001661748816 1172440578 /nfs/dbraw/zinc/44/05/78/1172440578.db2.gz YDIBTRSNMPOUKT-GJZGRUSLSA-N 1 3 281.444 1.587 10 30 CDEEHO CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001662010919 1172477827 /nfs/dbraw/zinc/47/78/27/1172477827.db2.gz NSSAULDFXDLJPF-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001662010919 1172477830 /nfs/dbraw/zinc/47/78/30/1172477830.db2.gz NSSAULDFXDLJPF-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCCCN(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000076734215 377489112 /nfs/dbraw/zinc/48/91/12/377489112.db2.gz MUUOWFNONWZXDQ-UHFFFAOYSA-N 1 3 281.444 1.873 10 30 CDEEHO CN(Cc1ccccc1C#N)CC1CC[NH+](CCO)CC1 ZINC000069739212 378678611 /nfs/dbraw/zinc/67/86/11/378678611.db2.gz GYOPXIVITJBWLQ-UHFFFAOYSA-N 1 3 287.407 1.694 10 30 CDEEHO CC(C#N)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427153055 390912103 /nfs/dbraw/zinc/91/21/03/390912103.db2.gz OXUWYCKRRNHZAG-ZIAGYGMSSA-N 1 3 279.384 1.249 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001665641651 1173029640 /nfs/dbraw/zinc/02/96/40/1173029640.db2.gz FEKUOFSVYGENQE-GJZGRUSLSA-N 1 3 281.444 1.681 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001665641651 1173029648 /nfs/dbraw/zinc/02/96/48/1173029648.db2.gz FEKUOFSVYGENQE-GJZGRUSLSA-N 1 3 281.444 1.681 10 30 CDEEHO CN1CC[C@@H](C[N@H+](C)Cc2ccc(C#CCO)cc2)C1 ZINC000071190498 176067077 /nfs/dbraw/zinc/06/70/77/176067077.db2.gz OLZMATALTUUUSI-QGZVFWFLSA-N 1 3 272.392 1.414 10 30 CDEEHO CN1CC[C@@H](C[N@@H+](C)Cc2ccc(C#CCO)cc2)C1 ZINC000071190498 176067079 /nfs/dbraw/zinc/06/70/79/176067079.db2.gz OLZMATALTUUUSI-QGZVFWFLSA-N 1 3 272.392 1.414 10 30 CDEEHO C=C(C)C[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001691476586 1159335508 /nfs/dbraw/zinc/33/55/08/1159335508.db2.gz MXIMQLCYIRGJGH-MRXNPFEDSA-N 1 3 299.434 1.823 10 30 CDEEHO CCN[C@](C)(C#N)C[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000068612659 520225325 /nfs/dbraw/zinc/22/53/25/520225325.db2.gz PJVOFFRQDHQPQZ-ZBFHGGJFSA-N 1 3 280.460 1.930 10 30 CDEEHO C#CC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000939806256 612976033 /nfs/dbraw/zinc/97/60/33/612976033.db2.gz FASOOOUVWKHKIE-YOEHRIQHSA-N 1 3 299.418 1.432 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002976 613781071 /nfs/dbraw/zinc/78/10/71/613781071.db2.gz RKKDMQSZBIZURD-HNNXBMFYSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCOCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925711715 617809221 /nfs/dbraw/zinc/80/92/21/617809221.db2.gz VNAAVSFPCSKSDD-RDBSUJKOSA-N 1 3 252.402 1.945 10 30 CDEEHO C#CCN(C)CCCNC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000895056314 619241092 /nfs/dbraw/zinc/24/10/92/619241092.db2.gz GLYHEDKCDQQVAZ-UHFFFAOYSA-N 1 3 296.459 1.171 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001266741278 1158797410 /nfs/dbraw/zinc/79/74/10/1158797410.db2.gz PJXKAGVMEUVPIL-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001266741278 1158797417 /nfs/dbraw/zinc/79/74/17/1158797417.db2.gz PJXKAGVMEUVPIL-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000876722854 1165901035 /nfs/dbraw/zinc/90/10/35/1165901035.db2.gz GSRLTDZLQVZTFR-RYUDHWBXSA-N 1 3 273.808 1.447 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000876722854 1165901037 /nfs/dbraw/zinc/90/10/37/1165901037.db2.gz GSRLTDZLQVZTFR-RYUDHWBXSA-N 1 3 273.808 1.447 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCC1 ZINC001569612473 1169936719 /nfs/dbraw/zinc/93/67/19/1169936719.db2.gz FAZYOZMCKGCXGR-JKSUJKDBSA-N 1 3 293.455 1.470 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001570177714 1170103153 /nfs/dbraw/zinc/10/31/53/1170103153.db2.gz QQCWCFBHNMABCQ-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001570177714 1170103157 /nfs/dbraw/zinc/10/31/57/1170103157.db2.gz QQCWCFBHNMABCQ-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC(C)C)CC1 ZINC001570653620 1170224315 /nfs/dbraw/zinc/22/43/15/1170224315.db2.gz UDCCDXOSVJBDQI-GJZGRUSLSA-N 1 3 293.455 1.470 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001661136172 1172341940 /nfs/dbraw/zinc/34/19/40/1172341940.db2.gz FSHZDELMNYNQGQ-KBPBESRZSA-N 1 3 267.417 1.243 10 30 CDEEHO C=CCC[NH2+]C/C=C\CNC(=O)C1(N(C)C)CCC1 ZINC001668864576 1173474344 /nfs/dbraw/zinc/47/43/44/1173474344.db2.gz IHRQEURZZBQSMD-SREVYHEPSA-N 1 3 265.401 1.309 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001672965795 1173813644 /nfs/dbraw/zinc/81/36/44/1173813644.db2.gz NVDSDDNSPXFFCD-SHTZXODSSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CC[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001676068771 1174178154 /nfs/dbraw/zinc/17/81/54/1174178154.db2.gz JDUDXFQOBGVXDG-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001676068771 1174178158 /nfs/dbraw/zinc/17/81/58/1174178158.db2.gz JDUDXFQOBGVXDG-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001698991724 1176020022 /nfs/dbraw/zinc/02/00/22/1176020022.db2.gz UANYCXUNXJHMCO-CABCVRRESA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001698991724 1176020034 /nfs/dbraw/zinc/02/00/34/1176020034.db2.gz UANYCXUNXJHMCO-CABCVRRESA-N 1 3 279.428 1.580 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699329364 1176239633 /nfs/dbraw/zinc/23/96/33/1176239633.db2.gz UGDUNRJZOIWUAZ-VOTSOKGWSA-N 1 3 291.439 1.392 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001699387962 1176346190 /nfs/dbraw/zinc/34/61/90/1176346190.db2.gz LNYSQJKEUBQAIW-KGLIPLIRSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001700099858 1176746704 /nfs/dbraw/zinc/74/67/04/1176746704.db2.gz RNBAMAZHJGUXGJ-YOEHRIQHSA-N 1 3 299.418 1.538 10 30 CDEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001700099858 1176746708 /nfs/dbraw/zinc/74/67/08/1176746708.db2.gz RNBAMAZHJGUXGJ-YOEHRIQHSA-N 1 3 299.418 1.538 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001707083042 1177945064 /nfs/dbraw/zinc/94/50/64/1177945064.db2.gz ZUXIZIYEJJIPOE-JYJNAYRXSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001713310573 1178489142 /nfs/dbraw/zinc/48/91/42/1178489142.db2.gz XJXXUTGMCUIPOO-KGLIPLIRSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CCN1CC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713541928 1178634908 /nfs/dbraw/zinc/63/49/08/1178634908.db2.gz PGHQVPKHHGJBCE-INIZCTEOSA-N 1 3 291.439 1.324 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713932302 1178860762 /nfs/dbraw/zinc/86/07/62/1178860762.db2.gz KQZIUDOMGVDRDJ-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001714510038 1179177659 /nfs/dbraw/zinc/17/76/59/1179177659.db2.gz FWXVXADJYRZSRH-UHFFFAOYSA-N 1 3 290.411 1.855 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001716398491 1180186828 /nfs/dbraw/zinc/18/68/28/1180186828.db2.gz XIIFFTANLZNVCS-CABCVRRESA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001717111151 1180532623 /nfs/dbraw/zinc/53/26/23/1180532623.db2.gz MKHNMUCIZKGWMX-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001717652172 1180776096 /nfs/dbraw/zinc/77/60/96/1180776096.db2.gz HAVCJNJGOGRPGE-KLHDSHLOSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001725315074 1181960863 /nfs/dbraw/zinc/96/08/63/1181960863.db2.gz XWQGRBWSONUFCJ-QKDCVEJESA-N 1 3 291.439 1.341 10 30 CDEEHO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001725315074 1181960867 /nfs/dbraw/zinc/96/08/67/1181960867.db2.gz XWQGRBWSONUFCJ-QKDCVEJESA-N 1 3 291.439 1.341 10 30 CDEEHO C#CCC[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001725427307 1181995568 /nfs/dbraw/zinc/99/55/68/1181995568.db2.gz MWYPYXVBWLBYNT-UHFFFAOYSA-N 1 3 277.412 1.028 10 30 CDEEHO C#CCC[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001725427307 1181995575 /nfs/dbraw/zinc/99/55/75/1181995575.db2.gz MWYPYXVBWLBYNT-UHFFFAOYSA-N 1 3 277.412 1.028 10 30 CDEEHO C=CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001732437153 1182964813 /nfs/dbraw/zinc/96/48/13/1182964813.db2.gz ADHJEEIDUCKSJA-ZDUSSCGKSA-N 1 3 269.433 1.587 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001733013292 1183237043 /nfs/dbraw/zinc/23/70/43/1183237043.db2.gz AXJJZGKVMSJUHO-BBRMVZONSA-N 1 3 299.434 1.869 10 30 CDEEHO C=CC[N@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001733901203 1183563254 /nfs/dbraw/zinc/56/32/54/1183563254.db2.gz NGKCJBZNSFVSEI-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001733901203 1183563256 /nfs/dbraw/zinc/56/32/56/1183563256.db2.gz NGKCJBZNSFVSEI-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001734002931 1183610916 /nfs/dbraw/zinc/61/09/16/1183610916.db2.gz BFTLDEJOJSLISY-QWRGUYRKSA-N 1 3 264.373 1.320 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001734395627 1183761574 /nfs/dbraw/zinc/76/15/74/1183761574.db2.gz OJRQDVBXGYZFGD-HIFRSBDPSA-N 1 3 279.428 1.626 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001331615660 957169876 /nfs/dbraw/zinc/16/98/76/957169876.db2.gz LTFSUDWHTUXVNM-QWHCGFSZSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000876707875 728886168 /nfs/dbraw/zinc/88/61/68/728886168.db2.gz DGMZUFVKBRKDTL-GHMZBOCLSA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000876707875 728886169 /nfs/dbraw/zinc/88/61/69/728886169.db2.gz DGMZUFVKBRKDTL-GHMZBOCLSA-N 1 3 259.781 1.057 10 30 CDEEHO COCCN(C)CCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000303886952 729169755 /nfs/dbraw/zinc/16/97/55/729169755.db2.gz KOTGGOPGBAAKOK-UHFFFAOYSA-N 1 3 278.400 1.690 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[NH+](CC)CC ZINC000876708693 729297876 /nfs/dbraw/zinc/29/78/76/729297876.db2.gz XZNFDJFPXDNFHQ-NSHDSACASA-N 1 3 261.797 1.304 10 30 CDEEHO C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)C ZINC000854069613 729799984 /nfs/dbraw/zinc/79/99/84/729799984.db2.gz VNYGOJKWECDFHM-GJZGRUSLSA-N 1 3 296.459 1.215 10 30 CDEEHO C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)C ZINC000854069613 729799992 /nfs/dbraw/zinc/79/99/92/729799992.db2.gz VNYGOJKWECDFHM-GJZGRUSLSA-N 1 3 296.459 1.215 10 30 CDEEHO C[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261945155 729937706 /nfs/dbraw/zinc/93/77/06/729937706.db2.gz FRXLXOIKVGCBEE-XDQVBPFNSA-N 1 3 266.433 1.536 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000876763456 729964542 /nfs/dbraw/zinc/96/45/42/729964542.db2.gz OGRWMEQTYRUNHA-CHWSQXEVSA-N 1 3 287.835 1.550 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000876763456 729964537 /nfs/dbraw/zinc/96/45/37/729964537.db2.gz OGRWMEQTYRUNHA-CHWSQXEVSA-N 1 3 287.835 1.550 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000876872383 730380091 /nfs/dbraw/zinc/38/00/91/730380091.db2.gz CHPZWAJFRCQING-LBPRGKRZSA-N 1 3 273.808 1.445 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001568545867 1167536138 /nfs/dbraw/zinc/53/61/38/1167536138.db2.gz UJDHQXFYZQGTOL-ZIAGYGMSSA-N 1 3 267.417 1.387 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCN(C)C(=O)CN(C)C(C)C ZINC001482652102 908121066 /nfs/dbraw/zinc/12/10/66/908121066.db2.gz PUXLNFDXLQKLSN-UHFFFAOYSA-N 1 3 269.433 1.683 10 30 CDEEHO C=C(C)CC[N@H+](C)CCN(C)C(=O)CN(C)C(C)C ZINC001482652102 908121073 /nfs/dbraw/zinc/12/10/73/908121073.db2.gz PUXLNFDXLQKLSN-UHFFFAOYSA-N 1 3 269.433 1.683 10 30 CDEEHO C=C(C)CN1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001566925762 1168471652 /nfs/dbraw/zinc/47/16/52/1168471652.db2.gz OYYBDLZWFVLUCH-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001567167407 1168604103 /nfs/dbraw/zinc/60/41/03/1168604103.db2.gz OHKXTFQDLCBULO-GJZGRUSLSA-N 1 3 291.439 1.511 10 30 CDEEHO C=C(C)CN1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266325451 894394642 /nfs/dbraw/zinc/39/46/42/894394642.db2.gz NNAPQXYDXVCTGP-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)CN1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266325451 894394658 /nfs/dbraw/zinc/39/46/58/894394658.db2.gz NNAPQXYDXVCTGP-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001266423059 894797704 /nfs/dbraw/zinc/79/77/04/894797704.db2.gz ZZZVPJAVVJCGCU-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001266423059 894797712 /nfs/dbraw/zinc/79/77/12/894797712.db2.gz ZZZVPJAVVJCGCU-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCN1CCC[C@H]([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266897512 896298938 /nfs/dbraw/zinc/29/89/38/896298938.db2.gz NOYJMWCJZPMXLH-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001480920425 896939605 /nfs/dbraw/zinc/93/96/05/896939605.db2.gz PDTUUIURQKMOMQ-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@H+](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001480920425 896939610 /nfs/dbraw/zinc/93/96/10/896939610.db2.gz PDTUUIURQKMOMQ-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268002667 900249171 /nfs/dbraw/zinc/24/91/71/900249171.db2.gz BZVOIVHVWUEMJO-XJKSGUPXSA-N 1 3 297.418 1.174 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268254893 901678692 /nfs/dbraw/zinc/67/86/92/901678692.db2.gz GMEHUDHSRUGGGD-HUUCEWRRSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001268756975 903096294 /nfs/dbraw/zinc/09/62/94/903096294.db2.gz PKXBKAOBMUVBKG-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCCC1 ZINC001482221367 903833541 /nfs/dbraw/zinc/83/35/41/903833541.db2.gz GIVFXAJNUZEBLQ-AWEZNQCLSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](CC)N(C)C ZINC001482397070 905295599 /nfs/dbraw/zinc/29/55/99/905295599.db2.gz SKPFSEYALDISRT-LSDHHAIUSA-N 1 3 281.444 1.470 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001482437009 905408768 /nfs/dbraw/zinc/40/87/68/905408768.db2.gz XMUSPKCGXGAJNY-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001272043745 907684739 /nfs/dbraw/zinc/68/47/39/907684739.db2.gz NIIFBHXURMPARD-JKSUJKDBSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001272043745 907684747 /nfs/dbraw/zinc/68/47/47/907684747.db2.gz NIIFBHXURMPARD-JKSUJKDBSA-N 1 3 291.439 1.417 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001482649755 908114251 /nfs/dbraw/zinc/11/42/51/908114251.db2.gz JOUZPXMQRFYVCL-GASCZTMLSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001482649755 908114260 /nfs/dbraw/zinc/11/42/60/908114260.db2.gz JOUZPXMQRFYVCL-GASCZTMLSA-N 1 3 281.444 1.826 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482887335 908460778 /nfs/dbraw/zinc/46/07/78/908460778.db2.gz AEJQUYKJUVUTAE-STQMWFEESA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482887335 908460787 /nfs/dbraw/zinc/46/07/87/908460787.db2.gz AEJQUYKJUVUTAE-STQMWFEESA-N 1 3 287.835 1.565 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001483793867 915073543 /nfs/dbraw/zinc/07/35/43/915073543.db2.gz NBVCNAJKIKUBHO-OKILXGFUSA-N 1 3 279.428 1.674 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001485882460 920543042 /nfs/dbraw/zinc/54/30/42/920543042.db2.gz SKYXMXKMGZGTRD-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001486133329 920737485 /nfs/dbraw/zinc/73/74/85/920737485.db2.gz AVVXANWOYVYNMA-JKSUJKDBSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)CN1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001491224377 936879569 /nfs/dbraw/zinc/87/95/69/936879569.db2.gz HXJQKHZIUQCXDY-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C2CCC2)CC1 ZINC001490596095 927249072 /nfs/dbraw/zinc/24/90/72/927249072.db2.gz UKYUGONJPMRBMJ-HNNXBMFYSA-N 1 3 289.423 1.075 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001274460497 931501681 /nfs/dbraw/zinc/50/16/81/931501681.db2.gz VWXJLHCLISWJFX-HNNXBMFYSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001274460497 931501683 /nfs/dbraw/zinc/50/16/83/931501683.db2.gz VWXJLHCLISWJFX-HNNXBMFYSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[NH2+]C1CCC(N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001275633031 931919130 /nfs/dbraw/zinc/91/91/30/931919130.db2.gz UWYNXEUJLUYNIF-NRXISQOPSA-N 1 3 279.428 1.319 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001281952795 945232426 /nfs/dbraw/zinc/23/24/26/945232426.db2.gz PEUJOFORKQMVAA-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001281952795 945232429 /nfs/dbraw/zinc/23/24/29/945232429.db2.gz PEUJOFORKQMVAA-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001283558346 942933947 /nfs/dbraw/zinc/93/39/47/942933947.db2.gz YCMNHLZCNUPEMY-HNNXBMFYSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001263179557 943777295 /nfs/dbraw/zinc/77/72/95/943777295.db2.gz QDBSQYUBCLCGCO-OBJOEFQTSA-N 1 3 251.374 1.071 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001277865091 943890830 /nfs/dbraw/zinc/89/08/30/943890830.db2.gz CWCNAYPFYQNSLS-CQSZACIVSA-N 1 3 265.401 1.237 10 30 CDEEHO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)CCCCCC)C1 ZINC001278403118 947623050 /nfs/dbraw/zinc/62/30/50/947623050.db2.gz GOCRRVUNMRZXDT-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C ZINC001278973354 948443080 /nfs/dbraw/zinc/44/30/80/948443080.db2.gz SGZYUIABPQPINY-OLZOCXBDSA-N 1 3 269.433 1.633 10 30 CDEEHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001479988562 971525188 /nfs/dbraw/zinc/52/51/88/971525188.db2.gz RDGLPMXVQCRVRH-AWEZNQCLSA-N 1 3 279.428 1.483 10 30 CDEEHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001480394849 971702608 /nfs/dbraw/zinc/70/26/08/971702608.db2.gz POCQIRXLFOCVOT-OWYFMNJBSA-N 1 3 293.455 1.728 10 30 CDEEHO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001480394849 971702615 /nfs/dbraw/zinc/70/26/15/971702615.db2.gz POCQIRXLFOCVOT-OWYFMNJBSA-N 1 3 293.455 1.728 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001331559980 957137516 /nfs/dbraw/zinc/13/75/16/957137516.db2.gz IBMGFYNSMVNPLZ-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317342773 957430661 /nfs/dbraw/zinc/43/06/61/957430661.db2.gz IICIICXFIAURRF-GJZGRUSLSA-N 1 3 279.428 1.034 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001317399577 957454086 /nfs/dbraw/zinc/45/40/86/957454086.db2.gz VNMGWXUGPVLSMV-KBPBESRZSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CCN(C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317445689 957478804 /nfs/dbraw/zinc/47/88/04/957478804.db2.gz FEVXSPDIUKATSM-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001317808944 957671935 /nfs/dbraw/zinc/67/19/35/957671935.db2.gz JMUMNNMKSCIJAH-CQSZACIVSA-N 1 3 288.395 1.112 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001317808944 957671942 /nfs/dbraw/zinc/67/19/42/957671942.db2.gz JMUMNNMKSCIJAH-CQSZACIVSA-N 1 3 288.395 1.112 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319999815 958859540 /nfs/dbraw/zinc/85/95/40/958859540.db2.gz RTCKBERPYCWLPJ-ZIAGYGMSSA-N 1 3 267.417 1.293 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319999815 958859552 /nfs/dbraw/zinc/85/95/52/958859552.db2.gz RTCKBERPYCWLPJ-ZIAGYGMSSA-N 1 3 267.417 1.293 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001320154351 958975184 /nfs/dbraw/zinc/97/51/84/958975184.db2.gz NPLSIAWTJIMEBR-GJZGRUSLSA-N 1 3 293.455 1.921 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1CC ZINC001569342671 1169773010 /nfs/dbraw/zinc/77/30/10/1169773010.db2.gz JRHZHFGNLNXVPB-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC001344470396 964322087 /nfs/dbraw/zinc/32/20/87/964322087.db2.gz HGPVTHSIDUFXRC-ZFWWWQNUSA-N 1 3 287.407 1.834 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001355339711 969129418 /nfs/dbraw/zinc/12/94/18/969129418.db2.gz QCQSMAMHRDMGEB-VNHYZAJKSA-N 1 3 265.401 1.400 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCF)CC1 ZINC001505760789 974984676 /nfs/dbraw/zinc/98/46/76/974984676.db2.gz OZUAKIPYDPYURK-ZIAGYGMSSA-N 1 3 297.418 1.174 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001505922316 975044588 /nfs/dbraw/zinc/04/45/88/975044588.db2.gz LTPLTVYAUUYUNJ-MELADBBJSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001505922316 975044592 /nfs/dbraw/zinc/04/45/92/975044592.db2.gz LTPLTVYAUUYUNJ-MELADBBJSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCC[NH+]1CC([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001506670045 975200871 /nfs/dbraw/zinc/20/08/71/975200871.db2.gz IROHTAUAIHEQLO-CYBMUJFWSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001507150680 975356751 /nfs/dbraw/zinc/35/67/51/975356751.db2.gz ZRNOJGXONMVEFW-QWHCGFSZSA-N 1 3 255.406 1.339 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001674157019 1173918872 /nfs/dbraw/zinc/91/88/72/1173918872.db2.gz YRIFCVOCMFWSAN-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001674157019 1173918875 /nfs/dbraw/zinc/91/88/75/1173918875.db2.gz YRIFCVOCMFWSAN-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001674441424 1173947096 /nfs/dbraw/zinc/94/70/96/1173947096.db2.gz ZEVKKDGHPLCLRP-CABCVRRESA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001674441424 1173947100 /nfs/dbraw/zinc/94/71/00/1173947100.db2.gz ZEVKKDGHPLCLRP-CABCVRRESA-N 1 3 279.428 1.580 10 30 CDEEHO C[C@@H]1C[C@H](C)N(C(=O)[C@H](N)CCCCC#N)C[C@@H]1C[NH3+] ZINC000594449563 342909474 /nfs/dbraw/zinc/90/94/74/342909474.db2.gz KIAGZCIKNUYQHZ-ZOBORPQBSA-N 1 3 280.416 1.229 10 30 CDEEHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1cccc(C#N)c1 ZINC000600712798 349876880 /nfs/dbraw/zinc/87/68/80/349876880.db2.gz ZEAQLIVSKURJGI-GFCCVEGCSA-N 1 3 259.353 1.717 10 30 CDEEHO C=CCOc1ccc(C[NH2+]CCCNCCO)cc1 ZINC000013732685 361348494 /nfs/dbraw/zinc/34/84/94/361348494.db2.gz XOAYUBUVKUKAIM-UHFFFAOYSA-N 1 3 264.369 1.313 10 30 CDEEHO C=CCN1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186017313 364229042 /nfs/dbraw/zinc/22/90/42/364229042.db2.gz AUAUCMDQXYWHCG-UHFFFAOYSA-N 1 3 282.432 1.230 10 30 CDEEHO C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661555064 1172405923 /nfs/dbraw/zinc/40/59/23/1172405923.db2.gz IMDNHXSGSZBPNA-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001661723869 1172435755 /nfs/dbraw/zinc/43/57/55/1172435755.db2.gz RHQYSUIKDXCYGD-JKSUJKDBSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001661723869 1172435765 /nfs/dbraw/zinc/43/57/65/1172435765.db2.gz RHQYSUIKDXCYGD-JKSUJKDBSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCCN(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000342724574 374462046 /nfs/dbraw/zinc/46/20/46/374462046.db2.gz DEKHITJZHONOBY-UHFFFAOYSA-N 1 3 265.401 1.237 10 30 CDEEHO C#CCC[NH2+]C1CCC(NC(=O)CN(C)CCC)CC1 ZINC001662138392 1172485761 /nfs/dbraw/zinc/48/57/61/1172485761.db2.gz JPRILVZSWAHVBL-UHFFFAOYSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001663014561 1172629023 /nfs/dbraw/zinc/62/90/23/1172629023.db2.gz YVXRXDCMGORFCK-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[C@]1(C(=O)N2CCN[C@@H](C(C)C)C2)CCC[NH2+]1 ZINC000662770177 413468936 /nfs/dbraw/zinc/46/89/36/413468936.db2.gz MNAMVFGOQKSMKC-UKRRQHHQSA-N 1 3 265.401 1.141 10 30 CDEEHO C=CCN1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001665686142 1173038545 /nfs/dbraw/zinc/03/85/45/1173038545.db2.gz DKHGDWRDIIGGMN-OAHLLOKOSA-N 1 3 279.428 1.581 10 30 CDEEHO C=CC[C@@]1(C(=O)N[C@@H]2CCN(CCC)C2)CCC[NH2+]1 ZINC000662910263 413691445 /nfs/dbraw/zinc/69/14/45/413691445.db2.gz MZERZCVLQOBGIZ-HIFRSBDPSA-N 1 3 265.401 1.285 10 30 CDEEHO C=CCOCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665263678 413989403 /nfs/dbraw/zinc/98/94/03/413989403.db2.gz RRGMTSMEXSYQPJ-RBSFLKMASA-N 1 3 268.401 1.326 10 30 CDEEHO C[NH+](C)CC1CCN(Cc2sccc2C#CCO)CC1 ZINC000043679811 175090525 /nfs/dbraw/zinc/09/05/25/175090525.db2.gz ZKTQBYTWRBKMNG-UHFFFAOYSA-N 1 3 292.448 1.866 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001666318521 1173126074 /nfs/dbraw/zinc/12/60/74/1173126074.db2.gz HGGOCLKYXBRMSH-RBSFLKMASA-N 1 3 281.444 1.920 10 30 CDEEHO C=CC[C@@]1(C(=O)N(C)CC2CCN(C)CC2)CCC[NH2+]1 ZINC000662820846 424508477 /nfs/dbraw/zinc/50/84/77/424508477.db2.gz DDBBVHTVMPPTIH-INIZCTEOSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001668326704 1173397306 /nfs/dbraw/zinc/39/73/06/1173397306.db2.gz UQNWBRIFLCBWTH-CABCVRRESA-N 1 3 279.428 1.369 10 30 CDEEHO C=CCN1CCC(NC(NC2CCC2)=[NH+]C)CC1 ZINC000262773590 330030597 /nfs/dbraw/zinc/03/05/97/330030597.db2.gz IKRFPDIIOJOSKP-UHFFFAOYSA-N 1 3 250.390 1.354 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001699403710 1176369307 /nfs/dbraw/zinc/36/93/07/1176369307.db2.gz JLAUWLBRGUJKER-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CCNC[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482337226 1160158451 /nfs/dbraw/zinc/15/84/51/1160158451.db2.gz OLWPGUYORJTCEA-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001486449936 1161456187 /nfs/dbraw/zinc/45/61/87/1161456187.db2.gz VJDMINXLDXTIGV-DZGCQCFKSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001732425271 1182960012 /nfs/dbraw/zinc/96/00/12/1182960012.db2.gz PGLFOZCCQYKTAT-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001266789921 1158829119 /nfs/dbraw/zinc/82/91/19/1158829119.db2.gz AAACAVSLKLWPGS-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001269422810 1160057642 /nfs/dbraw/zinc/05/76/42/1160057642.db2.gz LBOWZWGSZULOOU-UHFFFAOYSA-N 1 3 279.428 1.675 10 30 CDEEHO CC[N@@H+]1CC[C@@H](N(C)CCOCCC#N)[C@H](C)C1 ZINC000815071044 1164108616 /nfs/dbraw/zinc/10/86/16/1164108616.db2.gz DAFBHADAPMDKAZ-ZIAGYGMSSA-N 1 3 253.390 1.579 10 30 CDEEHO CC[N@H+]1CC[C@@H](N(C)CCOCCC#N)[C@H](C)C1 ZINC000815071044 1164108626 /nfs/dbraw/zinc/10/86/26/1164108626.db2.gz DAFBHADAPMDKAZ-ZIAGYGMSSA-N 1 3 253.390 1.579 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876958596 1165949373 /nfs/dbraw/zinc/94/93/73/1165949373.db2.gz IDLJLOBSLINPEG-QWRGUYRKSA-N 1 3 273.808 1.445 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876958596 1165949377 /nfs/dbraw/zinc/94/93/77/1165949377.db2.gz IDLJLOBSLINPEG-QWRGUYRKSA-N 1 3 273.808 1.445 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000876971174 1165951247 /nfs/dbraw/zinc/95/12/47/1165951247.db2.gz CABFDRLNRDIIKZ-DVVUODLYSA-N 1 3 259.781 1.042 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001565855333 1168186276 /nfs/dbraw/zinc/18/62/76/1168186276.db2.gz MXVXTDPAGPWTFQ-OKILXGFUSA-N 1 3 290.411 1.711 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001566528033 1168321666 /nfs/dbraw/zinc/32/16/66/1168321666.db2.gz HAVCZYPKJXOUCW-GOEBONIOSA-N 1 3 291.439 1.463 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001661473995 1172395851 /nfs/dbraw/zinc/39/58/51/1172395851.db2.gz TVKBELPBEUZGSH-KKUMJFAQSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672209494 1173751870 /nfs/dbraw/zinc/75/18/70/1173751870.db2.gz OZHBTBJZVPFARO-HUUCEWRRSA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001690881559 1175598725 /nfs/dbraw/zinc/59/87/25/1175598725.db2.gz WTCWETLZMQBZBA-HUUCEWRRSA-N 1 3 279.428 1.369 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001698767760 1175925228 /nfs/dbraw/zinc/92/52/28/1175925228.db2.gz JNNACLZUSZDCNG-AWEZNQCLSA-N 1 3 281.444 1.330 10 30 CDEEHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001699021126 1176044447 /nfs/dbraw/zinc/04/44/47/1176044447.db2.gz RASBNIJXZNEJSP-CABCVRRESA-N 1 3 279.428 1.435 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001699021126 1176044455 /nfs/dbraw/zinc/04/44/55/1176044455.db2.gz RASBNIJXZNEJSP-CABCVRRESA-N 1 3 279.428 1.435 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001699423139 1176387209 /nfs/dbraw/zinc/38/72/09/1176387209.db2.gz VGTCEDAIZOCMCJ-KBPBESRZSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001699669924 1176561877 /nfs/dbraw/zinc/56/18/77/1176561877.db2.gz PKLFZTYNFUGCEG-GFCCVEGCSA-N 1 3 290.411 1.854 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001699736989 1176597779 /nfs/dbraw/zinc/59/77/79/1176597779.db2.gz KIZAHNOCKHXJQT-QWHCGFSZSA-N 1 3 276.384 1.497 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](NC(=O)CN(C)CCC)CC1 ZINC001700183808 1176781544 /nfs/dbraw/zinc/78/15/44/1176781544.db2.gz HJJMJJPJJWGLIV-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)CCC)CC1 ZINC001700183808 1176781547 /nfs/dbraw/zinc/78/15/47/1176781547.db2.gz HJJMJJPJJWGLIV-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001700481488 1176972651 /nfs/dbraw/zinc/97/26/51/1176972651.db2.gz SAVXOJBGRUZEBL-AWEZNQCLSA-N 1 3 281.444 1.729 10 30 CDEEHO CC#CC[NH2+][C@H](CCNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001700713291 1177087964 /nfs/dbraw/zinc/08/79/64/1177087964.db2.gz SNWUKXKEMXUGEE-OAHLLOKOSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001714050907 1178946898 /nfs/dbraw/zinc/94/68/98/1178946898.db2.gz WMCNKTHSQMTCDK-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001714050907 1178946904 /nfs/dbraw/zinc/94/69/04/1178946904.db2.gz WMCNKTHSQMTCDK-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1CCC)C(C)C ZINC001715492578 1179681943 /nfs/dbraw/zinc/68/19/43/1179681943.db2.gz QQPLEXUIGPKUSD-CABCVRRESA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715857790 1179874958 /nfs/dbraw/zinc/87/49/58/1179874958.db2.gz GFFIBEFKVAGSGH-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001715857790 1179874971 /nfs/dbraw/zinc/87/49/71/1179874971.db2.gz GFFIBEFKVAGSGH-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001716901666 1180458416 /nfs/dbraw/zinc/45/84/16/1180458416.db2.gz NDZMOYBCZVLKFZ-ZBFHGGJFSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001716901666 1180458427 /nfs/dbraw/zinc/45/84/27/1180458427.db2.gz NDZMOYBCZVLKFZ-ZBFHGGJFSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001717240211 1180586659 /nfs/dbraw/zinc/58/66/59/1180586659.db2.gz OBAJZSFJKUCYSZ-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CCNC1(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001723595027 1181590543 /nfs/dbraw/zinc/59/05/43/1181590543.db2.gz LQKCYXVGXFYSMU-UHFFFAOYSA-N 1 3 291.439 1.514 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001724836876 1181769749 /nfs/dbraw/zinc/76/97/49/1181769749.db2.gz JMALYWCCCZLSQX-CQSZACIVSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001724836876 1181769752 /nfs/dbraw/zinc/76/97/52/1181769752.db2.gz JMALYWCCCZLSQX-CQSZACIVSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001732398990 1182945694 /nfs/dbraw/zinc/94/56/94/1182945694.db2.gz PHXJXADNXLKOOS-UHFFFAOYSA-N 1 3 276.384 1.465 10 30 CDEEHO C=CC[NH2+]CCN(CC)C(=O)CN(C)C1CCC1 ZINC001732778639 1183122361 /nfs/dbraw/zinc/12/23/61/1183122361.db2.gz SDZUUJPHPLCISI-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001733069325 1183276290 /nfs/dbraw/zinc/27/62/90/1183276290.db2.gz ZUBZEYIXNMOBBZ-CYBMUJFWSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001733069325 1183276293 /nfs/dbraw/zinc/27/62/93/1183276293.db2.gz ZUBZEYIXNMOBBZ-CYBMUJFWSA-N 1 3 255.406 1.339 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001733853993 1183551703 /nfs/dbraw/zinc/55/17/03/1183551703.db2.gz MJRYQDHSPWVQJD-GXTWGEPZSA-N 1 3 276.384 1.355 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734346093 1183741554 /nfs/dbraw/zinc/74/15/54/1183741554.db2.gz JKYRJMXCUQDHJQ-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001734346093 1183741556 /nfs/dbraw/zinc/74/15/56/1183741556.db2.gz JKYRJMXCUQDHJQ-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO CCOCCCNC(=[NH2+])NCCN(C)C1CCCCC1 ZINC000303894393 730562471 /nfs/dbraw/zinc/56/24/71/730562471.db2.gz OTHXUGIBSPLTSF-UHFFFAOYSA-N 1 3 284.448 1.582 10 30 CDEEHO C#CCOCCN(C)[C@@H]1CCC[N@H+](CCOCC#C)CC1 ZINC000851866680 730986085 /nfs/dbraw/zinc/98/60/85/730986085.db2.gz QDMQXIDJOAROON-QGZVFWFLSA-N 1 3 292.423 1.072 10 30 CDEEHO C#CCOCCN(C)[C@@H]1CCC[N@@H+](CCOCC#C)CC1 ZINC000851866680 730986092 /nfs/dbraw/zinc/98/60/92/730986092.db2.gz QDMQXIDJOAROON-QGZVFWFLSA-N 1 3 292.423 1.072 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000876872382 731644909 /nfs/dbraw/zinc/64/49/09/731644909.db2.gz CHPZWAJFRCQING-GFCCVEGCSA-N 1 3 273.808 1.445 10 30 CDEEHO C[NH+]=C(NCC1CC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261951547 732714065 /nfs/dbraw/zinc/71/40/65/732714065.db2.gz HNQJLRPUBHYTNH-DGCLKSJQSA-N 1 3 252.406 1.290 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001566878781 1168038850 /nfs/dbraw/zinc/03/88/50/1168038850.db2.gz HAUWLJLUVXLIRU-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001266970362 896470093 /nfs/dbraw/zinc/47/00/93/896470093.db2.gz CPIHZCBAEUGNLN-BBRMVZONSA-N 1 3 299.434 1.869 10 30 CDEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001267174399 897006050 /nfs/dbraw/zinc/00/60/50/897006050.db2.gz XTQDJNAZVVAXPB-ZFWWWQNUSA-N 1 3 279.428 1.483 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001483942349 915217976 /nfs/dbraw/zinc/21/79/76/915217976.db2.gz IRPIOCJNMHQFBT-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001267332591 897616367 /nfs/dbraw/zinc/61/63/67/897616367.db2.gz GVFSTQFSBFFLGH-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001267332591 897616378 /nfs/dbraw/zinc/61/63/78/897616378.db2.gz GVFSTQFSBFFLGH-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[N@H+](CC)CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001481018825 898504189 /nfs/dbraw/zinc/50/41/89/898504189.db2.gz SHNFVPFAUUYEAM-GASCZTMLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+](CC)CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001481018825 898504201 /nfs/dbraw/zinc/50/42/01/898504201.db2.gz SHNFVPFAUUYEAM-GASCZTMLSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267595111 898644728 /nfs/dbraw/zinc/64/47/28/898644728.db2.gz FZEFCTZFIYLDHI-OAHLLOKOSA-N 1 3 279.428 1.130 10 30 CDEEHO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267595111 898644738 /nfs/dbraw/zinc/64/47/38/898644738.db2.gz FZEFCTZFIYLDHI-OAHLLOKOSA-N 1 3 279.428 1.130 10 30 CDEEHO C=C(C)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001481519176 901035408 /nfs/dbraw/zinc/03/54/08/901035408.db2.gz WGEGSZOEIQSYIC-UHFFFAOYSA-N 1 3 290.411 1.699 10 30 CDEEHO C=C(C)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001481519176 901035414 /nfs/dbraw/zinc/03/54/14/901035414.db2.gz WGEGSZOEIQSYIC-UHFFFAOYSA-N 1 3 290.411 1.699 10 30 CDEEHO CC#CCNCCN(CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001268487373 902354924 /nfs/dbraw/zinc/35/49/24/902354924.db2.gz FIFLFSYISFBZPM-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001482110194 902657555 /nfs/dbraw/zinc/65/75/55/902657555.db2.gz LXUNSTLRLCXTJW-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1CC ZINC001269180535 903511125 /nfs/dbraw/zinc/51/11/25/903511125.db2.gz DUKJAKAAXHVYQD-DZGCQCFKSA-N 1 3 288.395 1.192 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001482229747 903900476 /nfs/dbraw/zinc/90/04/76/903900476.db2.gz HJLZTRPAFCXQOF-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001269997760 904257444 /nfs/dbraw/zinc/25/74/44/904257444.db2.gz OXBQHNWECLVSNA-KKUMJFAQSA-N 1 3 279.428 1.223 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001270058749 904313741 /nfs/dbraw/zinc/31/37/41/904313741.db2.gz LUVHRNHBULBJMO-GJZGRUSLSA-N 1 3 297.418 1.270 10 30 CDEEHO C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001271759042 906781132 /nfs/dbraw/zinc/78/11/32/906781132.db2.gz LFAOLQLRWSZMRL-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001568077088 1169133179 /nfs/dbraw/zinc/13/31/79/1169133179.db2.gz 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1169339221 /nfs/dbraw/zinc/33/92/21/1169339221.db2.gz HSKBXRAGXVLTII-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001568505990 1169339226 /nfs/dbraw/zinc/33/92/26/1169339226.db2.gz HSKBXRAGXVLTII-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001293032952 931603249 /nfs/dbraw/zinc/60/32/49/931603249.db2.gz GZTOCSASQQQZCU-OAHLLOKOSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001293032952 931603251 /nfs/dbraw/zinc/60/32/51/931603251.db2.gz GZTOCSASQQQZCU-OAHLLOKOSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001275649628 931928332 /nfs/dbraw/zinc/92/83/32/931928332.db2.gz XFRVBHPYSBKVQU-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO C#CCC[N@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001275649628 931928338 /nfs/dbraw/zinc/92/83/38/931928338.db2.gz XFRVBHPYSBKVQU-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](CCCC)C[NH2+]CC)CC1 ZINC001276269975 932701798 /nfs/dbraw/zinc/70/17/98/932701798.db2.gz YBLOXXVYUOLWNZ-INIZCTEOSA-N 1 3 293.455 1.616 10 30 CDEEHO C[N@@H+]1CC[C@H](NCCNc2ccc(C#N)cn2)[C@@H]2CCC[C@@H]21 ZINC000927161985 933049425 /nfs/dbraw/zinc/04/94/25/933049425.db2.gz AOFLMFAYBOVOEW-JYJNAYRXSA-N 1 3 299.422 1.828 10 30 CDEEHO C[N@H+]1CC[C@H](NCCNc2ccc(C#N)cn2)[C@@H]2CCC[C@@H]21 ZINC000927161985 933049429 /nfs/dbraw/zinc/04/94/29/933049429.db2.gz AOFLMFAYBOVOEW-JYJNAYRXSA-N 1 3 299.422 1.828 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C(C)C ZINC000246872776 934853030 /nfs/dbraw/zinc/85/30/30/934853030.db2.gz DDIRSWGIINPOHO-QWHCGFSZSA-N 1 3 254.422 1.667 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001524268622 970833562 /nfs/dbraw/zinc/83/35/62/970833562.db2.gz XPXVZKNPMXRIJG-GHMZBOCLSA-N 1 3 259.781 1.057 10 30 CDEEHO C=CCC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001279628447 942397146 /nfs/dbraw/zinc/39/71/46/942397146.db2.gz JXEXYJUJCJOBHK-MRXNPFEDSA-N 1 3 293.455 1.897 10 30 CDEEHO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001279628447 942397149 /nfs/dbraw/zinc/39/71/49/942397149.db2.gz JXEXYJUJCJOBHK-MRXNPFEDSA-N 1 3 293.455 1.897 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001284544739 943205858 /nfs/dbraw/zinc/20/58/58/943205858.db2.gz KBGJRXXWGCPZOV-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001284544739 943205866 /nfs/dbraw/zinc/20/58/66/943205866.db2.gz KBGJRXXWGCPZOV-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001277694450 943344099 /nfs/dbraw/zinc/34/40/99/943344099.db2.gz POXCKQRAJQKBKR-OAHLLOKOSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001277866615 943901163 /nfs/dbraw/zinc/90/11/63/943901163.db2.gz WCVVAPPHSTUEIU-AWEZNQCLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001263880754 944019707 /nfs/dbraw/zinc/01/97/07/944019707.db2.gz YSPIXIRDSUFOPE-KLHDSHLOSA-N 1 3 293.455 1.920 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001265674076 944465725 /nfs/dbraw/zinc/46/57/25/944465725.db2.gz RCBNDJBJMJGWOX-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001265782422 944507073 /nfs/dbraw/zinc/50/70/73/944507073.db2.gz XQWCSCHICCHNJN-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)N(C)C ZINC001479573058 971343294 /nfs/dbraw/zinc/34/32/94/971343294.db2.gz VHWYSDKTKLNONO-ILXRZTDVSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]CCC=C)CC1 ZINC001568969792 1169567553 /nfs/dbraw/zinc/56/75/53/1169567553.db2.gz PRFAHMSOQHHSSW-VOTSOKGWSA-N 1 3 289.423 1.170 10 30 CDEEHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)CCC)C1 ZINC001479694095 971369432 /nfs/dbraw/zinc/36/94/32/971369432.db2.gz LDPNLRCVESMZJX-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480666068 971830970 /nfs/dbraw/zinc/83/09/70/971830970.db2.gz RJAPAUDFVUZVBW-HZPDHXFCSA-N 1 3 293.455 1.733 10 30 CDEEHO CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001493837859 972123422 /nfs/dbraw/zinc/12/34/22/972123422.db2.gz TVGDXPTYZDFBPU-GDBMZVCRSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCN[C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001331648803 957186343 /nfs/dbraw/zinc/18/63/43/957186343.db2.gz QPDWHHTZHHQZOW-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001320465127 959188009 /nfs/dbraw/zinc/18/80/09/959188009.db2.gz XGIUQNXRPPTQJD-VXGBXAGGSA-N 1 3 275.824 1.564 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001324226664 961245408 /nfs/dbraw/zinc/24/54/08/961245408.db2.gz UVEAIKAZIGRCED-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001340846229 963153430 /nfs/dbraw/zinc/15/34/30/963153430.db2.gz JYMXSUPADSQTKR-XDQVBPFNSA-N 1 3 279.428 1.563 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001344409974 964302832 /nfs/dbraw/zinc/30/28/32/964302832.db2.gz BFYHJLAVIQJBNY-QWHCGFSZSA-N 1 3 267.417 1.564 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001528459079 968855865 /nfs/dbraw/zinc/85/58/65/968855865.db2.gz ZVNNRRKNMNNDDN-BZUAXINKSA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001528459079 968855872 /nfs/dbraw/zinc/85/58/72/968855872.db2.gz ZVNNRRKNMNNDDN-BZUAXINKSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001498314202 973824015 /nfs/dbraw/zinc/82/40/15/973824015.db2.gz QDQIPKDDULERJC-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001498314202 973824020 /nfs/dbraw/zinc/82/40/20/973824020.db2.gz QDQIPKDDULERJC-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H](CC)N(C)C ZINC001498641598 974008592 /nfs/dbraw/zinc/00/85/92/974008592.db2.gz IWCSLKNSCGAIMR-GFCCVEGCSA-N 1 3 275.824 1.517 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001501091129 974531704 /nfs/dbraw/zinc/53/17/04/974531704.db2.gz LFUSTKKKDXOXBS-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001503023143 974809461 /nfs/dbraw/zinc/80/94/61/974809461.db2.gz KVUWIGSHKXPBND-CABCVRRESA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001503023143 974809465 /nfs/dbraw/zinc/80/94/65/974809465.db2.gz KVUWIGSHKXPBND-CABCVRRESA-N 1 3 279.428 1.319 10 30 CDEEHO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C1 ZINC001398666371 976098608 /nfs/dbraw/zinc/09/86/08/976098608.db2.gz AIOCECNAXUALGT-TXEJJXNPSA-N 1 3 273.808 1.318 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001569829367 1170008499 /nfs/dbraw/zinc/00/84/99/1170008499.db2.gz XULGVSKEPAIXIT-ZIAGYGMSSA-N 1 3 267.417 1.339 10 30 CDEEHO CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H](CC)N(C)C)C(C)C ZINC001675141160 1174079037 /nfs/dbraw/zinc/07/90/37/1174079037.db2.gz VPZVGGYTQQGBQA-JKSUJKDBSA-N 1 3 295.471 1.813 10 30 CDEEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](N)CCCCC#N ZINC000594436718 342900003 /nfs/dbraw/zinc/90/00/03/342900003.db2.gz FWIUEIDHVPWVEJ-QLFBSQMISA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](N)CCCCC#N ZINC000594436718 342900005 /nfs/dbraw/zinc/90/00/05/342900005.db2.gz FWIUEIDHVPWVEJ-QLFBSQMISA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594436679 342899451 /nfs/dbraw/zinc/89/94/51/342899451.db2.gz FJOXARVOSSRABU-RBSFLKMASA-N 1 3 294.443 1.777 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000594437455 342906111 /nfs/dbraw/zinc/90/61/11/342906111.db2.gz CFVZPSDQWWQBES-CQSZACIVSA-N 1 3 290.367 1.374 10 30 CDEEHO CCCC[NH+]1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594436993 342903954 /nfs/dbraw/zinc/90/39/54/342903954.db2.gz HFTLFNDPYXCBFC-OAHLLOKOSA-N 1 3 294.443 1.778 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000594425487 342904376 /nfs/dbraw/zinc/90/43/76/342904376.db2.gz KKAQFIIUXGQYIX-AGIUHOORSA-N 1 3 266.389 1.031 10 30 CDEEHO C=C(C)[C@@H](CO)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000649336483 392061091 /nfs/dbraw/zinc/06/10/91/392061091.db2.gz ZDWGPZSVTWPRKV-LSDHHAIUSA-N 1 3 270.417 1.356 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@@H]2CCCCN2CC)CCC[NH2+]1 ZINC000662717096 413371635 /nfs/dbraw/zinc/37/16/35/413371635.db2.gz XEEAFSCDABFTCW-GOEBONIOSA-N 1 3 279.428 1.675 10 30 CDEEHO NCC#Cc1ccsc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000043683553 175091984 /nfs/dbraw/zinc/09/19/84/175091984.db2.gz BDDJOORGLPLYPG-CQSZACIVSA-N 1 3 278.421 1.795 10 30 CDEEHO NCC#Cc1ccsc1C[N@H+]1CCCC[C@@H]1CCO ZINC000043683553 175091985 /nfs/dbraw/zinc/09/19/85/175091985.db2.gz BDDJOORGLPLYPG-CQSZACIVSA-N 1 3 278.421 1.795 10 30 CDEEHO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(C#CCN)s1 ZINC000043684114 175092958 /nfs/dbraw/zinc/09/29/58/175092958.db2.gz XIBRSZSZMNTLRE-RYUDHWBXSA-N 1 3 291.420 1.144 10 30 CDEEHO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(C#CCN)s1 ZINC000043684114 175092959 /nfs/dbraw/zinc/09/29/59/175092959.db2.gz XIBRSZSZMNTLRE-RYUDHWBXSA-N 1 3 291.420 1.144 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186014729 327634481 /nfs/dbraw/zinc/63/44/81/327634481.db2.gz WCPWJAFJVFIXIG-UHFFFAOYSA-N 1 3 296.459 1.620 10 30 CDEEHO CN(C)C1(CNC(=[NH2+])NC[C@H]2CCCO2)CCCCCC1 ZINC000261966245 329992001 /nfs/dbraw/zinc/99/20/01/329992001.db2.gz LNNLWSIWIMOMSS-CQSZACIVSA-N 1 3 296.459 1.724 10 30 CDEEHO C[C@@H]1CCCN(C(C)(C)CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262496798 330017806 /nfs/dbraw/zinc/01/78/06/330017806.db2.gz WUVVWQUHHFLSHN-KGLIPLIRSA-N 1 3 296.459 1.532 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC12CC2 ZINC000263090478 330043138 /nfs/dbraw/zinc/04/31/38/330043138.db2.gz ISMJAHUSKFYPPM-NWDGAFQWSA-N 1 3 250.390 1.175 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C(F)F ZINC000263191342 330048395 /nfs/dbraw/zinc/04/83/95/330048395.db2.gz YNVPDTFKFXWJIQ-GUBZILKMSA-N 1 3 260.332 1.029 10 30 CDEEHO C#CCN1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001700183751 1176786988 /nfs/dbraw/zinc/78/69/88/1176786988.db2.gz GJOCAFCFAPUPKK-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1CCC)C(C)C ZINC001271844150 1160365513 /nfs/dbraw/zinc/36/55/13/1160365513.db2.gz FBRPQUFACGVWDV-CVEARBPZSA-N 1 3 293.455 1.615 10 30 CDEEHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001691664903 1161471034 /nfs/dbraw/zinc/47/10/34/1161471034.db2.gz MKIYBQMVOYMNQX-LSDHHAIUSA-N 1 3 279.428 1.226 10 30 CDEEHO CC[N@H+](CCOc1cccc(C#CCN)c1)C1CC1 ZINC000049608878 521149418 /nfs/dbraw/zinc/14/94/18/521149418.db2.gz PIEHLLSMFCDHPY-UHFFFAOYSA-N 1 3 258.365 1.860 10 30 CDEEHO CC[N@@H+](CCOc1cccc(C#CCN)c1)C1CC1 ZINC000049608878 521149424 /nfs/dbraw/zinc/14/94/24/521149424.db2.gz PIEHLLSMFCDHPY-UHFFFAOYSA-N 1 3 258.365 1.860 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001772514629 1158535815 /nfs/dbraw/zinc/53/58/15/1158535815.db2.gz NDCQQKVNBQXBTM-HNNXBMFYSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001691043680 1158689544 /nfs/dbraw/zinc/68/95/44/1158689544.db2.gz VIEMMCJSVWHYBA-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001671308326 1158722754 /nfs/dbraw/zinc/72/27/54/1158722754.db2.gz BJBPWYDYWDQLAG-HNNXBMFYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001691114777 1158916554 /nfs/dbraw/zinc/91/65/54/1158916554.db2.gz VYJMKKMYSDDKBZ-HRCADAONSA-N 1 3 293.455 1.779 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCCC)CC1 ZINC001266993977 1159072151 /nfs/dbraw/zinc/07/21/51/1159072151.db2.gz HFRDWXOKQYASPL-AWEZNQCLSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CCC[N@H+](CC)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001691043680 1158689540 /nfs/dbraw/zinc/68/95/40/1158689540.db2.gz VIEMMCJSVWHYBA-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001268414040 1159932451 /nfs/dbraw/zinc/93/24/51/1159932451.db2.gz QCOCUNQLHBIISO-ZIAGYGMSSA-N 1 3 269.433 1.633 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001483592226 1160953731 /nfs/dbraw/zinc/95/37/31/1160953731.db2.gz LDSQDXJKKMNRDU-HOTGVXAUSA-N 1 3 291.439 1.367 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000876772712 1165913095 /nfs/dbraw/zinc/91/30/95/1165913095.db2.gz RLMJXNMEWLZCBK-GHMZBOCLSA-N 1 3 275.824 1.549 10 30 CDEEHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001566973076 1168484223 /nfs/dbraw/zinc/48/42/23/1168484223.db2.gz POCQIRXLFOCVOT-AALSBFMBSA-N 1 3 293.455 1.728 10 30 CDEEHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001566973076 1168484215 /nfs/dbraw/zinc/48/42/15/1168484215.db2.gz POCQIRXLFOCVOT-AALSBFMBSA-N 1 3 293.455 1.728 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001570004782 1170057178 /nfs/dbraw/zinc/05/71/78/1170057178.db2.gz HGYDKCHYOOAUKG-ZDUSSCGKSA-N 1 3 276.384 1.357 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001661724541 1172435882 /nfs/dbraw/zinc/43/58/82/1172435882.db2.gz WGOUVQKSAXEQKB-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001661724541 1172435885 /nfs/dbraw/zinc/43/58/85/1172435885.db2.gz WGOUVQKSAXEQKB-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@H+](CC)CCNC(=O)CN(C)C1CCC1 ZINC001663388884 1172687038 /nfs/dbraw/zinc/68/70/38/1172687038.db2.gz KLXKNRBPMFLRQF-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[N@@H+](CC)CCNC(=O)CN(C)C1CCC1 ZINC001663388884 1172687046 /nfs/dbraw/zinc/68/70/46/1172687046.db2.gz KLXKNRBPMFLRQF-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001674457867 1173948801 /nfs/dbraw/zinc/94/88/01/1173948801.db2.gz OMSHFSVDMSYZJR-CQSZACIVSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001674457867 1173948805 /nfs/dbraw/zinc/94/88/05/1173948805.db2.gz OMSHFSVDMSYZJR-CQSZACIVSA-N 1 3 279.428 1.580 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001691978985 1175661892 /nfs/dbraw/zinc/66/18/92/1175661892.db2.gz BWNHUAWVCLIFDQ-HOTGVXAUSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001691978985 1175661897 /nfs/dbraw/zinc/66/18/97/1175661897.db2.gz BWNHUAWVCLIFDQ-HOTGVXAUSA-N 1 3 291.439 1.132 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001698769307 1175924890 /nfs/dbraw/zinc/92/48/90/1175924890.db2.gz YLRBZNUUIMHUIS-KGLIPLIRSA-N 1 3 267.417 1.246 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001698988643 1176017241 /nfs/dbraw/zinc/01/72/41/1176017241.db2.gz JQWNVDOFNGKYRN-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001698988643 1176017248 /nfs/dbraw/zinc/01/72/48/1176017248.db2.gz JQWNVDOFNGKYRN-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001699365378 1176318929 /nfs/dbraw/zinc/31/89/29/1176318929.db2.gz KMSJTBYDBDAQHL-GFCCVEGCSA-N 1 3 253.390 1.141 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001714713302 1179353876 /nfs/dbraw/zinc/35/38/76/1179353876.db2.gz BVZPQGMUTSCNTQ-OAHLLOKOSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001714713302 1179353883 /nfs/dbraw/zinc/35/38/83/1179353883.db2.gz BVZPQGMUTSCNTQ-OAHLLOKOSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)C[NH2+]C/C=C/CNC(=O)CN1CCC(C)CC1 ZINC001716357297 1180166675 /nfs/dbraw/zinc/16/66/75/1180166675.db2.gz LETTVVYFXUWEIM-SNAWJCMRSA-N 1 3 279.428 1.556 10 30 CDEEHO C=C(C)CC[NH2+]C/C=C\CNC(=O)CN1CCCC1 ZINC001716375698 1180172445 /nfs/dbraw/zinc/17/24/45/1180172445.db2.gz JDLOEGZJQYPJJT-ARJAWSKDSA-N 1 3 265.401 1.310 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001716975442 1180488124 /nfs/dbraw/zinc/48/81/24/1180488124.db2.gz NHIKSSPOAADQDC-KBPBESRZSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001717002856 1180498610 /nfs/dbraw/zinc/49/86/10/1180498610.db2.gz DTMJVBKPVLEETN-JYJNAYRXSA-N 1 3 293.455 1.472 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CCC)C1 ZINC001717883860 1180911937 /nfs/dbraw/zinc/91/19/37/1180911937.db2.gz FBSLQUKAJNBGET-GJZGRUSLSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CCC[NH+]1CCC(C)(CNC(=O)CN(C)CCC)CC1 ZINC001724303096 1181662164 /nfs/dbraw/zinc/66/21/64/1181662164.db2.gz UAUJCJLIWWYNFU-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001724601844 1181701555 /nfs/dbraw/zinc/70/15/55/1181701555.db2.gz BUFAPZZMXGHHSI-UONOGXRCSA-N 1 3 267.417 1.197 10 30 CDEEHO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001725127977 1181876601 /nfs/dbraw/zinc/87/66/01/1181876601.db2.gz LADSYIPSNTZFRD-KBPBESRZSA-N 1 3 287.407 1.478 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CC(=C)C)CC1 ZINC001725198314 1181920146 /nfs/dbraw/zinc/92/01/46/1181920146.db2.gz XKKRJVSSEURBDI-HNNXBMFYSA-N 1 3 291.439 1.344 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC(=C)C)CC1 ZINC001725198314 1181920150 /nfs/dbraw/zinc/92/01/50/1181920150.db2.gz XKKRJVSSEURBDI-HNNXBMFYSA-N 1 3 291.439 1.344 10 30 CDEEHO C#CC[NH2+][C@@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001725210975 1181923915 /nfs/dbraw/zinc/92/39/15/1181923915.db2.gz AFQBFQPZZZAMIF-CVEARBPZSA-N 1 3 293.455 1.424 10 30 CDEEHO CC#CCN1CCC([C@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001725775443 1182128504 /nfs/dbraw/zinc/12/85/04/1182128504.db2.gz JQTQIDBUYNSTLR-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN1CCC([C@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001725775443 1182128507 /nfs/dbraw/zinc/12/85/07/1182128507.db2.gz JQTQIDBUYNSTLR-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001731486670 1182414555 /nfs/dbraw/zinc/41/45/55/1182414555.db2.gz TVKBELPBEUZGSH-SOUVJXGZSA-N 1 3 279.428 1.531 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001731506755 1182424467 /nfs/dbraw/zinc/42/44/67/1182424467.db2.gz IXEUJDWOBIVKAD-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[N@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001731506755 1182424472 /nfs/dbraw/zinc/42/44/72/1182424472.db2.gz IXEUJDWOBIVKAD-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CC2)CC1 ZINC001731740189 1182542772 /nfs/dbraw/zinc/54/27/72/1182542772.db2.gz NXMBHNAALNJPLN-CQSZACIVSA-N 1 3 291.439 1.226 10 30 CDEEHO CC#CCNCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001731970737 1182707328 /nfs/dbraw/zinc/70/73/28/1182707328.db2.gz JSAALTQSYUVASI-UHFFFAOYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001732425272 1182959140 /nfs/dbraw/zinc/95/91/40/1182959140.db2.gz PGLFOZCCQYKTAT-ZDUSSCGKSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001732515910 1182994582 /nfs/dbraw/zinc/99/45/82/1182994582.db2.gz HIPXSJRNZHNPGF-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001733188305 1183324082 /nfs/dbraw/zinc/32/40/82/1183324082.db2.gz ITUWESAWOCYDBK-CQSZACIVSA-N 1 3 276.384 1.321 10 30 CDEEHO C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001733444520 1183434781 /nfs/dbraw/zinc/43/47/81/1183434781.db2.gz BOGUOQCKZBWKAV-DOTOQJQBSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001733761634 1183524142 /nfs/dbraw/zinc/52/41/42/1183524142.db2.gz WSZHZKKXRKAYTP-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001733761634 1183524144 /nfs/dbraw/zinc/52/41/44/1183524144.db2.gz WSZHZKKXRKAYTP-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)C(C)(C)C1 ZINC001733880136 1183557057 /nfs/dbraw/zinc/55/70/57/1183557057.db2.gz XKCDNTRXMIZXTI-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)C(C)(C)C1 ZINC001733880136 1183557062 /nfs/dbraw/zinc/55/70/62/1183557062.db2.gz XKCDNTRXMIZXTI-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+][C@H](CCNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001734290843 1183714568 /nfs/dbraw/zinc/71/45/68/1183714568.db2.gz RPQGDQSEPHQYAM-CQSZACIVSA-N 1 3 290.411 1.404 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734456968 1183786015 /nfs/dbraw/zinc/78/60/15/1183786015.db2.gz HRKDKUNYAJDQMC-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877339242 735343831 /nfs/dbraw/zinc/34/38/31/735343831.db2.gz WBVGIFKXJNFABS-ZIAGYGMSSA-N 1 3 293.798 1.287 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000876555074 733417133 /nfs/dbraw/zinc/41/71/33/733417133.db2.gz LDGJOJHQJIRYLL-GFCCVEGCSA-N 1 3 287.835 1.837 10 30 CDEEHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000715569065 733851528 /nfs/dbraw/zinc/85/15/28/733851528.db2.gz GAZPMIKAVRIZKR-MJBXVCDLSA-N 1 3 280.416 1.387 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877256777 734003949 /nfs/dbraw/zinc/00/39/49/734003949.db2.gz DWZHGDRNKCGYJZ-SMDDNHRTSA-N 1 3 287.835 1.680 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000876539466 734247852 /nfs/dbraw/zinc/24/78/52/734247852.db2.gz HJPXWKCMHFCMLA-MFKMUULPSA-N 1 3 281.787 1.792 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000876766946 734810574 /nfs/dbraw/zinc/81/05/74/734810574.db2.gz WUVPDGRTTKZTEV-VXGBXAGGSA-N 1 3 273.808 1.447 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000876794479 734862874 /nfs/dbraw/zinc/86/28/74/734862874.db2.gz AHPYHPSIXVJABV-LBPRGKRZSA-N 1 3 283.759 1.433 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000876713708 735046813 /nfs/dbraw/zinc/04/68/13/735046813.db2.gz NLOGTHRGQLAXSF-NSHDSACASA-N 1 3 259.781 1.058 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNC[C@H]1CCC ZINC000876798483 735164966 /nfs/dbraw/zinc/16/49/66/735164966.db2.gz ZUKCLDRJYLWYLP-MNOVXSKESA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000876748375 735849519 /nfs/dbraw/zinc/84/95/19/735849519.db2.gz ABHZONNUMDEJNW-NWDGAFQWSA-N 1 3 271.792 1.153 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001567451117 1168774163 /nfs/dbraw/zinc/77/41/63/1168774163.db2.gz DODLWYQKRWHJFY-JKSUJKDBSA-N 1 3 291.439 1.770 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001567451117 1168774169 /nfs/dbraw/zinc/77/41/69/1168774169.db2.gz DODLWYQKRWHJFY-JKSUJKDBSA-N 1 3 291.439 1.770 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001266430710 894838957 /nfs/dbraw/zinc/83/89/57/894838957.db2.gz ALRFUHMOWLTPMU-OAHLLOKOSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001266693074 895846800 /nfs/dbraw/zinc/84/68/00/895846800.db2.gz NWLJIVUUCIDRAA-BYNSBNAKSA-N 1 3 281.444 1.918 10 30 CDEEHO C#CCC[N@H+](CC)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001267255516 897353515 /nfs/dbraw/zinc/35/35/15/897353515.db2.gz JLSNRZYDPMCJIN-AWEZNQCLSA-N 1 3 267.417 1.034 10 30 CDEEHO C#CCC[N@@H+](CC)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001267255516 897353527 /nfs/dbraw/zinc/35/35/27/897353527.db2.gz JLSNRZYDPMCJIN-AWEZNQCLSA-N 1 3 267.417 1.034 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001267305745 897540320 /nfs/dbraw/zinc/54/03/20/897540320.db2.gz CGCHUSXOAWGCBK-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001267305745 897540332 /nfs/dbraw/zinc/54/03/32/897540332.db2.gz CGCHUSXOAWGCBK-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001268142661 901397585 /nfs/dbraw/zinc/39/75/85/901397585.db2.gz QKFGYINUAPSGNY-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001268200176 901556223 /nfs/dbraw/zinc/55/62/23/901556223.db2.gz QRRUHGATWCKSBJ-UHFFFAOYSA-N 1 3 288.395 1.146 10 30 CDEEHO C#CC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001268200176 901556231 /nfs/dbraw/zinc/55/62/31/901556231.db2.gz QRRUHGATWCKSBJ-UHFFFAOYSA-N 1 3 288.395 1.146 10 30 CDEEHO C#CCCN1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001481741001 901986572 /nfs/dbraw/zinc/98/65/72/901986572.db2.gz HKSPZWQFFGVDBC-JKSUJKDBSA-N 1 3 293.455 1.663 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001271560062 906518035 /nfs/dbraw/zinc/51/80/35/906518035.db2.gz GTYMNDFVYZQKDP-CABCVRRESA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[NH+]1CCC(CCNC(=O)CN(C)CCC)CC1 ZINC001568131464 1169143386 /nfs/dbraw/zinc/14/33/86/1169143386.db2.gz HEFYAHPYTWRILN-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001484724007 916082560 /nfs/dbraw/zinc/08/25/60/916082560.db2.gz MDBXEPGIJRSZRZ-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001484724007 916082579 /nfs/dbraw/zinc/08/25/79/916082579.db2.gz MDBXEPGIJRSZRZ-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001485050750 916434254 /nfs/dbraw/zinc/43/42/54/916434254.db2.gz PEUJOFORKQMVAA-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001485050750 916434263 /nfs/dbraw/zinc/43/42/63/916434263.db2.gz PEUJOFORKQMVAA-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001485195134 916657704 /nfs/dbraw/zinc/65/77/04/916657704.db2.gz RZVNPOPYRSFFRK-ZIAGYGMSSA-N 1 3 281.444 1.470 10 30 CDEEHO COCC#CCN(C)[C@H]1CCC[N@H+](CC#CCOC)CC1 ZINC000677819744 936467745 /nfs/dbraw/zinc/46/77/45/936467745.db2.gz OUFPQXFSZDVWTE-KRWDZBQOSA-N 1 3 292.423 1.072 10 30 CDEEHO COCC#CCN(C)[C@H]1CCC[N@@H+](CC#CCOC)CC1 ZINC000677819744 936467747 /nfs/dbraw/zinc/46/77/47/936467747.db2.gz OUFPQXFSZDVWTE-KRWDZBQOSA-N 1 3 292.423 1.072 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001491260863 936886193 /nfs/dbraw/zinc/88/61/93/936886193.db2.gz ASEMKLPJQRZZMY-JKSUJKDBSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001490692230 927303285 /nfs/dbraw/zinc/30/32/85/927303285.db2.gz CQUKOTDOJYSREK-OAHLLOKOSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001568630486 1169407155 /nfs/dbraw/zinc/40/71/55/1169407155.db2.gz DSMBTPVCCWAZKR-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CCC)CC1 ZINC001278206671 945138806 /nfs/dbraw/zinc/13/88/06/945138806.db2.gz LTZADEDRSSLSLJ-UHFFFAOYSA-N 1 3 293.455 1.663 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001281928080 942631582 /nfs/dbraw/zinc/63/15/82/942631582.db2.gz IXCQPEUHDYMRCU-CABCVRRESA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001281928080 942631587 /nfs/dbraw/zinc/63/15/87/942631587.db2.gz IXCQPEUHDYMRCU-CABCVRRESA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001265358794 944359581 /nfs/dbraw/zinc/35/95/81/944359581.db2.gz QLSHTNZBRTZDBY-HZPDHXFCSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CCN(C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001265978727 944610827 /nfs/dbraw/zinc/61/08/27/944610827.db2.gz WBSXWCZJVDRIJA-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001479888864 971471009 /nfs/dbraw/zinc/47/10/09/971471009.db2.gz OFBFDASPVNWUTG-UHFFFAOYSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001480231828 971640500 /nfs/dbraw/zinc/64/05/00/971640500.db2.gz LDUVLLOOUHODKU-MJBXVCDLSA-N 1 3 267.417 1.530 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001278592823 950320530 /nfs/dbraw/zinc/32/05/30/950320530.db2.gz GSHMVNJTJVYJBF-CABCVRRESA-N 1 3 293.455 1.472 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001493206885 971983815 /nfs/dbraw/zinc/98/38/15/971983815.db2.gz KKJNVVLRVSXRMM-UONOGXRCSA-N 1 3 285.407 1.290 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001493206885 971983823 /nfs/dbraw/zinc/98/38/23/971983823.db2.gz KKJNVVLRVSXRMM-UONOGXRCSA-N 1 3 285.407 1.290 10 30 CDEEHO C=CC[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001326604129 954450250 /nfs/dbraw/zinc/45/02/50/954450250.db2.gz RQVATPNJOGIIFD-UHFFFAOYSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[NH2+]C1(CC)CCN(C(=O)CN(C)CCC)CC1 ZINC001327488481 954903078 /nfs/dbraw/zinc/90/30/78/954903078.db2.gz JBMHQDGGTFJZHG-UHFFFAOYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001492084983 955645686 /nfs/dbraw/zinc/64/56/86/955645686.db2.gz HLOOIXLTXQLJAH-ZIAGYGMSSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001492164895 955662376 /nfs/dbraw/zinc/66/23/76/955662376.db2.gz ITTKHJWYQCPHAF-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001492164895 955662385 /nfs/dbraw/zinc/66/23/85/955662385.db2.gz ITTKHJWYQCPHAF-HZPDHXFCSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001329130079 955702681 /nfs/dbraw/zinc/70/26/81/955702681.db2.gz XZVABKHCDYTQRC-STQMWFEESA-N 1 3 269.433 1.633 10 30 CDEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001493847541 972124758 /nfs/dbraw/zinc/12/47/58/972124758.db2.gz XMRPLKZSLUSLNI-ZFWWWQNUSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001492450393 955897281 /nfs/dbraw/zinc/89/72/81/955897281.db2.gz PKAHSOAZWLBWAZ-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001492450393 955897295 /nfs/dbraw/zinc/89/72/95/955897295.db2.gz PKAHSOAZWLBWAZ-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001317831750 957681854 /nfs/dbraw/zinc/68/18/54/957681854.db2.gz WNFXZQVOGFIBJM-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001317831750 957681860 /nfs/dbraw/zinc/68/18/60/957681860.db2.gz WNFXZQVOGFIBJM-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001320154350 958974820 /nfs/dbraw/zinc/97/48/20/958974820.db2.gz NPLSIAWTJIMEBR-CABCVRRESA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001322542387 960252840 /nfs/dbraw/zinc/25/28/40/960252840.db2.gz BDYALXOGDCQTSW-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001324248909 961261074 /nfs/dbraw/zinc/26/10/74/961261074.db2.gz FICPUYKNAXVINX-INIZCTEOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001441377724 964483623 /nfs/dbraw/zinc/48/36/23/964483623.db2.gz IAUIRGMZZGWGHC-JOCQHMNTSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001441377724 964483629 /nfs/dbraw/zinc/48/36/29/964483629.db2.gz IAUIRGMZZGWGHC-JOCQHMNTSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448611217 967171607 /nfs/dbraw/zinc/17/16/07/967171607.db2.gz BVUSNNZHPMXPEL-KGLIPLIRSA-N 1 3 299.846 1.517 10 30 CDEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448611217 967171613 /nfs/dbraw/zinc/17/16/13/967171613.db2.gz BVUSNNZHPMXPEL-KGLIPLIRSA-N 1 3 299.846 1.517 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)CCC ZINC001569562073 1169925738 /nfs/dbraw/zinc/92/57/38/1169925738.db2.gz DDLNERPDWWZXNY-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001522262965 970415993 /nfs/dbraw/zinc/41/59/93/970415993.db2.gz DCSOHPGNSWRSNU-QWHCGFSZSA-N 1 3 253.390 1.400 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497619742 973436312 /nfs/dbraw/zinc/43/63/12/973436312.db2.gz GOPCMCPMJCILDP-LLYBFZRZSA-N 1 3 277.412 1.002 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497619742 973436321 /nfs/dbraw/zinc/43/63/21/973436321.db2.gz GOPCMCPMJCILDP-LLYBFZRZSA-N 1 3 277.412 1.002 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001502836466 974792461 /nfs/dbraw/zinc/79/24/61/974792461.db2.gz PQAHATQMSYNYDW-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN1CC[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001502836466 974792465 /nfs/dbraw/zinc/79/24/65/974792465.db2.gz PQAHATQMSYNYDW-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001505434238 974877422 /nfs/dbraw/zinc/87/74/22/974877422.db2.gz NHOBAUUEKXTDNZ-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001505434238 974877426 /nfs/dbraw/zinc/87/74/26/974877426.db2.gz NHOBAUUEKXTDNZ-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001505445982 974881327 /nfs/dbraw/zinc/88/13/27/974881327.db2.gz BDSIKGCPSYMUPP-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001505445982 974881331 /nfs/dbraw/zinc/88/13/31/974881331.db2.gz BDSIKGCPSYMUPP-CVEARBPZSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001506520391 975173292 /nfs/dbraw/zinc/17/32/92/975173292.db2.gz QMAKDEBQZBTSDJ-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO CC#CC[NH2+]CCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001571325635 1170366669 /nfs/dbraw/zinc/36/66/69/1170366669.db2.gz FMANPRHIHAEGGH-CQSZACIVSA-N 1 3 267.417 1.224 10 30 CDEEHO C=CCN(C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001571614954 1170496355 /nfs/dbraw/zinc/49/63/55/1170496355.db2.gz ZVNRHHHKUPWIAF-UHFFFAOYSA-N 1 3 281.444 1.683 10 30 CDEEHO CC#CC[NH2+]C1CC(N(C)C(=O)[C@H](F)CN(CC)CC)C1 ZINC001571658155 1170513232 /nfs/dbraw/zinc/51/32/32/1170513232.db2.gz LSMPRGZJFBRJMT-YMAMQOFZSA-N 1 3 297.418 1.269 10 30 CDEEHO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001656309867 1171808972 /nfs/dbraw/zinc/80/89/72/1171808972.db2.gz WMCUUWHZMYAPIM-XHSDSOJGSA-N 1 3 293.455 1.470 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000594435656 342899179 /nfs/dbraw/zinc/89/91/79/342899179.db2.gz IICHVQDRTMTVMD-ZNMIVQPWSA-N 1 3 292.427 1.246 10 30 CDEEHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CCCCC#N ZINC000595943073 343204359 /nfs/dbraw/zinc/20/43/59/343204359.db2.gz IGURPRXXMUJOLW-GJZGRUSLSA-N 1 3 294.443 1.634 10 30 CDEEHO COC[C@H](C)N(C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609584 522594693 /nfs/dbraw/zinc/59/46/93/522594693.db2.gz GWYLCCLLUYEAMW-LBPRGKRZSA-N 1 3 264.344 1.603 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001661136473 1172342112 /nfs/dbraw/zinc/34/21/12/1172342112.db2.gz KDJWFGYKKCXDAO-OAHLLOKOSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001663288908 1172668599 /nfs/dbraw/zinc/66/85/99/1172668599.db2.gz WRZMAIPCUNRZMA-OAHLLOKOSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001663288908 1172668604 /nfs/dbraw/zinc/66/86/04/1172668604.db2.gz WRZMAIPCUNRZMA-OAHLLOKOSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@@H](C)N2CCC(C)CC2)CCC[NH2+]1 ZINC000662701750 413344463 /nfs/dbraw/zinc/34/44/63/413344463.db2.gz UXBJEWMAQOVGOJ-NVXWUHKLSA-N 1 3 293.455 1.921 10 30 CDEEHO [NH3+]CC#Cc1csc(CN(CCO)C2CC2)c1 ZINC000043689091 175095687 /nfs/dbraw/zinc/09/56/87/175095687.db2.gz ZZWHEOQEBRQFDK-UHFFFAOYSA-N 1 3 250.367 1.015 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001666652592 1173166190 /nfs/dbraw/zinc/16/61/90/1173166190.db2.gz VNDIKXONJMQJGZ-KGLIPLIRSA-N 1 3 269.433 1.491 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001667032687 1173224715 /nfs/dbraw/zinc/22/47/15/1173224715.db2.gz DLMDWFQXTVJHNT-KBPBESRZSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653117870 424304783 /nfs/dbraw/zinc/30/47/83/424304783.db2.gz XXMCLRLGBIFQLW-HUUCEWRRSA-N 1 3 277.412 1.284 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@]2(N(C)C)CCSC2)CCC[NH2+]1 ZINC000662683129 424315189 /nfs/dbraw/zinc/31/51/89/424315189.db2.gz WOFRDHAUDWHKCP-CABCVRRESA-N 1 3 297.468 1.238 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)CCC ZINC001667764498 1173322849 /nfs/dbraw/zinc/32/28/49/1173322849.db2.gz QHUQGBZKSLRGNG-HUUCEWRRSA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001669312956 1173534494 /nfs/dbraw/zinc/53/44/94/1173534494.db2.gz KNDBVEFRHLKFPC-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)Cc1nc[nH]c1C ZINC001267153558 1159140345 /nfs/dbraw/zinc/14/03/45/1159140345.db2.gz LJUHERUUMYFOKF-LBPRGKRZSA-N 1 3 278.400 1.711 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001699461326 1159662074 /nfs/dbraw/zinc/66/20/74/1159662074.db2.gz RSVLBQSLHIXJTJ-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001699461326 1159662078 /nfs/dbraw/zinc/66/20/78/1159662078.db2.gz RSVLBQSLHIXJTJ-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001731506361 1182423392 /nfs/dbraw/zinc/42/33/92/1182423392.db2.gz YUAWYIWPXSKNKQ-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO COc1ccc(CN(C)C[C@@H]2CCCO2)cc1C#CC[NH3+] ZINC000049609679 524004962 /nfs/dbraw/zinc/00/49/62/524004962.db2.gz ZPIZRZXSJWIQQO-INIZCTEOSA-N 1 3 288.391 1.616 10 30 CDEEHO C=CCN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H](C)COC ZINC000903768193 626085513 /nfs/dbraw/zinc/08/55/13/626085513.db2.gz LTUVXMQFEGNSQW-ILXRZTDVSA-N 1 3 268.401 1.278 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001724860721 1158839112 /nfs/dbraw/zinc/83/91/12/1158839112.db2.gz QEINPBCALWHKNG-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001699461321 1159661897 /nfs/dbraw/zinc/66/18/97/1159661897.db2.gz RSVLBQSLHIXJTJ-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001699461321 1159661900 /nfs/dbraw/zinc/66/19/00/1159661900.db2.gz RSVLBQSLHIXJTJ-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001567711613 1168930579 /nfs/dbraw/zinc/93/05/79/1168930579.db2.gz CZBVWSQQCUNBAL-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001567711613 1168930585 /nfs/dbraw/zinc/93/05/85/1168930585.db2.gz CZBVWSQQCUNBAL-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CCC ZINC001568430975 1169284192 /nfs/dbraw/zinc/28/41/92/1169284192.db2.gz CKWKJOYYHYZRPP-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001570055115 1170066418 /nfs/dbraw/zinc/06/64/18/1170066418.db2.gz OOFWOGPOLKSCFF-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001570653246 1170224577 /nfs/dbraw/zinc/22/45/77/1170224577.db2.gz OSZQCALZRWXDIV-STQMWFEESA-N 1 3 255.406 1.386 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001669399538 1173546536 /nfs/dbraw/zinc/54/65/36/1173546536.db2.gz CKMHKEDRKGXDFK-CYBMUJFWSA-N 1 3 269.433 1.635 10 30 CDEEHO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001690199567 1175402452 /nfs/dbraw/zinc/40/24/52/1175402452.db2.gz UWXKGRJSXNSXDZ-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001690199567 1175402460 /nfs/dbraw/zinc/40/24/60/1175402460.db2.gz UWXKGRJSXNSXDZ-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001692135448 1175681646 /nfs/dbraw/zinc/68/16/46/1175681646.db2.gz VBCWUTLETWDTPJ-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001699034681 1176052750 /nfs/dbraw/zinc/05/27/50/1176052750.db2.gz POXDQMJNRCIDKF-KBPBESRZSA-N 1 3 290.411 1.711 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699650756 1176548987 /nfs/dbraw/zinc/54/89/87/1176548987.db2.gz CNXJJASSLKGUFO-CQSZACIVSA-N 1 3 277.412 1.121 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001699650756 1176548991 /nfs/dbraw/zinc/54/89/91/1176548991.db2.gz CNXJJASSLKGUFO-CQSZACIVSA-N 1 3 277.412 1.121 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001699734446 1176598088 /nfs/dbraw/zinc/59/80/88/1176598088.db2.gz NKYXZUYPNZSIOS-LSDHHAIUSA-N 1 3 291.439 1.463 10 30 CDEEHO C=CC[NH+]1CCC(C)(NC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001699770248 1176615985 /nfs/dbraw/zinc/61/59/85/1176615985.db2.gz GLGWVQUYSOECAE-CQSZACIVSA-N 1 3 299.434 1.823 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001700178912 1176784762 /nfs/dbraw/zinc/78/47/62/1176784762.db2.gz LLDXMJXWOQWLPT-CQSZACIVSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001700178912 1176784764 /nfs/dbraw/zinc/78/47/64/1176784764.db2.gz LLDXMJXWOQWLPT-CQSZACIVSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001700278244 1176830127 /nfs/dbraw/zinc/83/01/27/1176830127.db2.gz ARLRSFUTHRFQLK-ZDUSSCGKSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCC[NH+]1CC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001700546444 1177009929 /nfs/dbraw/zinc/00/99/29/1177009929.db2.gz QMGMPNBOIFXUTI-CQSZACIVSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001707258936 1177984676 /nfs/dbraw/zinc/98/46/76/1177984676.db2.gz UANPKMNABDIUFR-OLZOCXBDSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001713315072 1178491697 /nfs/dbraw/zinc/49/16/97/1178491697.db2.gz OCSWBHGJRFGSCH-LBPRGKRZSA-N 1 3 253.390 1.141 10 30 CDEEHO CC#CCN[C@@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001714311054 1179079954 /nfs/dbraw/zinc/07/99/54/1179079954.db2.gz XZPSWSOEEOJVPC-HNNXBMFYSA-N 1 3 279.428 1.370 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001714412866 1179129155 /nfs/dbraw/zinc/12/91/55/1179129155.db2.gz SUXJGNHGONKNBC-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCN[C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001714847171 1179419402 /nfs/dbraw/zinc/41/94/02/1179419402.db2.gz JQBAJPJKOJYTAJ-MRXNPFEDSA-N 1 3 299.418 1.715 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001714861448 1179424840 /nfs/dbraw/zinc/42/48/40/1179424840.db2.gz HAAZVDKGNNTXPW-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001714899278 1179443252 /nfs/dbraw/zinc/44/32/52/1179443252.db2.gz NRIORMIUNPQJRB-HOTGVXAUSA-N 1 3 291.439 1.132 10 30 CDEEHO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001714899278 1179443254 /nfs/dbraw/zinc/44/32/54/1179443254.db2.gz NRIORMIUNPQJRB-HOTGVXAUSA-N 1 3 291.439 1.132 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCN1CCC ZINC001715059947 1179534921 /nfs/dbraw/zinc/53/49/21/1179534921.db2.gz LNEMPSUCZFHIAO-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CCNCc1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001715197036 1179574427 /nfs/dbraw/zinc/57/44/27/1179574427.db2.gz OUHFTPLQVLTZGH-QGZVFWFLSA-N 1 3 299.418 1.367 10 30 CDEEHO C#CCNCc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001715197036 1179574432 /nfs/dbraw/zinc/57/44/32/1179574432.db2.gz OUHFTPLQVLTZGH-QGZVFWFLSA-N 1 3 299.418 1.367 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001715362352 1179642651 /nfs/dbraw/zinc/64/26/51/1179642651.db2.gz LLLXGTWNNKCJCG-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001715362357 1179643251 /nfs/dbraw/zinc/64/32/51/1179643251.db2.gz LLLXGTWNNKCJCG-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[NH2+]CCN(CC)C(=O)C1(N(C)C)CCC1 ZINC001715737632 1179785197 /nfs/dbraw/zinc/78/51/97/1179785197.db2.gz IXOXQDNECYBKGE-UHFFFAOYSA-N 1 3 253.390 1.095 10 30 CDEEHO C=C(Cl)CNCCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001716552700 1180281421 /nfs/dbraw/zinc/28/14/21/1180281421.db2.gz UFDFRCFWYYXHIL-UHFFFAOYSA-N 1 3 299.846 1.805 10 30 CDEEHO C=CCN1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001716851753 1180440798 /nfs/dbraw/zinc/44/07/98/1180440798.db2.gz RLRKYPFISXENFW-AWEZNQCLSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCN1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001716851753 1180440801 /nfs/dbraw/zinc/44/08/01/1180440801.db2.gz RLRKYPFISXENFW-AWEZNQCLSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)N(C)C)C1 ZINC001717559085 1180739720 /nfs/dbraw/zinc/73/97/20/1180739720.db2.gz DITAKWILPRJOFV-JSGCOSHPSA-N 1 3 267.417 1.339 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001731506361 1182423387 /nfs/dbraw/zinc/42/33/87/1182423387.db2.gz YUAWYIWPXSKNKQ-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001731615905 1182481423 /nfs/dbraw/zinc/48/14/23/1182481423.db2.gz DDUVBRKCTYYDTK-BBRMVZONSA-N 1 3 297.418 1.317 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001731852409 1182625760 /nfs/dbraw/zinc/62/57/60/1182625760.db2.gz WPCCYSQCRLHOLA-ZDUSSCGKSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001731852409 1182625761 /nfs/dbraw/zinc/62/57/61/1182625761.db2.gz WPCCYSQCRLHOLA-ZDUSSCGKSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001732700634 1183092490 /nfs/dbraw/zinc/09/24/90/1183092490.db2.gz COEGYRZXMGDTIE-GFCCVEGCSA-N 1 3 253.390 1.141 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001733353594 1183407798 /nfs/dbraw/zinc/40/77/98/1183407798.db2.gz KGCFGNLUYAKAET-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001733678397 1183495462 /nfs/dbraw/zinc/49/54/62/1183495462.db2.gz XDKGHRLFXACJDA-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001733988303 1183603998 /nfs/dbraw/zinc/60/39/98/1183603998.db2.gz YCZSSTVWDXJJKQ-UONOGXRCSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001734424025 1183773746 /nfs/dbraw/zinc/77/37/46/1183773746.db2.gz DIPPOOJMRRSUQF-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001734474522 1183793068 /nfs/dbraw/zinc/79/30/68/1183793068.db2.gz HSFDGOZVYWUFBZ-LSDHHAIUSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000855166575 736641828 /nfs/dbraw/zinc/64/18/28/736641828.db2.gz MAFZHZUXPICYQZ-OAHLLOKOSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000855166575 736641831 /nfs/dbraw/zinc/64/18/31/736641831.db2.gz MAFZHZUXPICYQZ-OAHLLOKOSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000876764171 738315835 /nfs/dbraw/zinc/31/58/35/738315835.db2.gz KOPYLUSETVTCLZ-DCAQKATOSA-N 1 3 259.781 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000876764171 738315842 /nfs/dbraw/zinc/31/58/42/738315842.db2.gz KOPYLUSETVTCLZ-DCAQKATOSA-N 1 3 259.781 1.055 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)CC1 ZINC000824083747 736426547 /nfs/dbraw/zinc/42/65/47/736426547.db2.gz BXNPXDCKOLUWFN-CABCVRRESA-N 1 3 291.439 1.177 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000876846965 737612762 /nfs/dbraw/zinc/61/27/62/737612762.db2.gz GXRAUEJJMDBSRO-WDEREUQCSA-N 1 3 259.781 1.186 10 30 CDEEHO C=CCNC(=O)[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248891 737637947 /nfs/dbraw/zinc/63/79/47/737637947.db2.gz XTYZNOJLYCRBFY-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001565908702 1168199017 /nfs/dbraw/zinc/19/90/17/1168199017.db2.gz WMCUUWHZMYAPIM-ARFHVFGLSA-N 1 3 293.455 1.470 10 30 CDEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001272566618 913456606 /nfs/dbraw/zinc/45/66/06/913456606.db2.gz ZZJOICJFLXIUFS-CVEARBPZSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCCC[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001567404454 1168736950 /nfs/dbraw/zinc/73/69/50/1168736950.db2.gz YAVIMAHJYWSRQQ-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001567404454 1168736959 /nfs/dbraw/zinc/73/69/59/1168736959.db2.gz YAVIMAHJYWSRQQ-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001268266662 901704216 /nfs/dbraw/zinc/70/42/16/901704216.db2.gz DOYXSRBLWVOYLR-HZPDHXFCSA-N 1 3 291.439 1.273 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001268266662 901704222 /nfs/dbraw/zinc/70/42/22/901704222.db2.gz DOYXSRBLWVOYLR-HZPDHXFCSA-N 1 3 291.439 1.273 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268482855 902322162 /nfs/dbraw/zinc/32/21/62/902322162.db2.gz YUSFOWFXNMEIEL-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268482855 902322176 /nfs/dbraw/zinc/32/21/76/902322176.db2.gz YUSFOWFXNMEIEL-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CCCF)CC1 ZINC001482171107 902798750 /nfs/dbraw/zinc/79/87/50/902798750.db2.gz BNXWXDYZCYXHPN-CQSZACIVSA-N 1 3 297.418 1.033 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001482369189 905217883 /nfs/dbraw/zinc/21/78/83/905217883.db2.gz LLMXLLSFFBUGDW-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271007028 905541785 /nfs/dbraw/zinc/54/17/85/905541785.db2.gz HGOWUFWFXGCAPD-RDJZCZTQSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCN1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001271007028 905541798 /nfs/dbraw/zinc/54/17/98/905541798.db2.gz HGOWUFWFXGCAPD-RDJZCZTQSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001482650651 908116667 /nfs/dbraw/zinc/11/66/67/908116667.db2.gz XWKXEKFVMZPDNQ-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001482650651 908116676 /nfs/dbraw/zinc/11/66/76/908116676.db2.gz XWKXEKFVMZPDNQ-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001484401818 915727701 /nfs/dbraw/zinc/72/77/01/915727701.db2.gz SZNLCPCUVUGNHI-QGZVFWFLSA-N 1 3 299.418 1.190 10 30 CDEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001484401818 915727710 /nfs/dbraw/zinc/72/77/10/915727710.db2.gz SZNLCPCUVUGNHI-QGZVFWFLSA-N 1 3 299.418 1.190 10 30 CDEEHO C#CC[C@@H](COC)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001183157169 918346022 /nfs/dbraw/zinc/34/60/22/918346022.db2.gz RFRDOHIFGYKVDY-CGZBRXJRSA-N 1 3 294.439 1.648 10 30 CDEEHO CC#CCN1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001486159129 920761591 /nfs/dbraw/zinc/76/15/91/920761591.db2.gz CMPVHHZEARSUGL-WBVHZDCISA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCN1CC[C@@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001486159129 920761608 /nfs/dbraw/zinc/76/16/08/920761608.db2.gz CMPVHHZEARSUGL-WBVHZDCISA-N 1 3 291.439 1.465 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C(C)C ZINC001568450932 1169294065 /nfs/dbraw/zinc/29/40/65/1169294065.db2.gz FPTWPVMOWMTYNO-GJZGRUSLSA-N 1 3 279.428 1.223 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001490777371 927342275 /nfs/dbraw/zinc/34/22/75/927342275.db2.gz PLXSZMYWOPQGCK-OAHLLOKOSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001490777371 927342288 /nfs/dbraw/zinc/34/22/88/927342288.db2.gz PLXSZMYWOPQGCK-OAHLLOKOSA-N 1 3 279.428 1.130 10 30 CDEEHO C=CCC[C@@H](O)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262600 929643162 /nfs/dbraw/zinc/64/31/62/929643162.db2.gz QCXLQZZHQXHKHG-GDBMZVCRSA-N 1 3 275.396 1.919 10 30 CDEEHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC001118383420 937622097 /nfs/dbraw/zinc/62/20/97/937622097.db2.gz GVQJENSTLLBAED-MELADBBJSA-N 1 3 280.416 1.387 10 30 CDEEHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001282884449 942765323 /nfs/dbraw/zinc/76/53/23/942765323.db2.gz COTUOIZSGMDJII-PHZGNYQRSA-N 1 3 293.455 1.587 10 30 CDEEHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001282884449 942765327 /nfs/dbraw/zinc/76/53/27/942765327.db2.gz COTUOIZSGMDJII-PHZGNYQRSA-N 1 3 293.455 1.587 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001284001534 943044280 /nfs/dbraw/zinc/04/42/80/943044280.db2.gz BPLAGCZNEMNDQZ-CABCVRRESA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001263872663 944017054 /nfs/dbraw/zinc/01/70/54/944017054.db2.gz RXBOHBFOVWYGHW-RBSFLKMASA-N 1 3 279.428 1.080 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001265623864 944450249 /nfs/dbraw/zinc/45/02/49/944450249.db2.gz GADHUEOELYDIMD-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702745 944474572 /nfs/dbraw/zinc/47/45/72/944474572.db2.gz HJIYSLFMOUJTCO-HUUCEWRRSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702745 944474577 /nfs/dbraw/zinc/47/45/77/944474577.db2.gz HJIYSLFMOUJTCO-HUUCEWRRSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001479875528 971464851 /nfs/dbraw/zinc/46/48/51/971464851.db2.gz CJBAHOUDAMBBPO-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001479875528 971464857 /nfs/dbraw/zinc/46/48/57/971464857.db2.gz CJBAHOUDAMBBPO-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001479894681 971472226 /nfs/dbraw/zinc/47/22/26/971472226.db2.gz ZXDRCCSGHQVJNM-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001479894681 971472230 /nfs/dbraw/zinc/47/22/30/971472230.db2.gz ZXDRCCSGHQVJNM-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001480090342 971573001 /nfs/dbraw/zinc/57/30/01/971573001.db2.gz YVTJFCGOCHBLIN-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/89/34/90/956893490.db2.gz GYQOEJXFLASUEX-LSDHHAIUSA-N 1 3 281.444 1.635 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001317511766 957521672 /nfs/dbraw/zinc/52/16/72/957521672.db2.gz DAWKZHMGQGNCTM-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001317511766 957521679 /nfs/dbraw/zinc/52/16/79/957521679.db2.gz DAWKZHMGQGNCTM-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001332516130 957602280 /nfs/dbraw/zinc/60/22/80/957602280.db2.gz JVCSAQHNNHQMKL-KBPBESRZSA-N 1 3 265.401 1.271 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001332928371 957949948 /nfs/dbraw/zinc/94/99/48/957949948.db2.gz HXHZAPZPQZUYHQ-AWEZNQCLSA-N 1 3 274.368 1.173 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001318482649 958125133 /nfs/dbraw/zinc/12/51/33/958125133.db2.gz LADDPZAFGSGICF-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001318482649 958125146 /nfs/dbraw/zinc/12/51/46/958125146.db2.gz LADDPZAFGSGICF-JKSUJKDBSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001319251373 958457393 /nfs/dbraw/zinc/45/73/93/958457393.db2.gz RSEOXIZRKKEBPX-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001319711850 958695571 /nfs/dbraw/zinc/69/55/71/958695571.db2.gz IBHLNVMBBAKIKT-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001320171803 958984623 /nfs/dbraw/zinc/98/46/23/958984623.db2.gz NHEMPBUTKCZFIH-KBPBESRZSA-N 1 3 290.411 1.711 10 30 CDEEHO C#CCC[NH2+]C/C=C/CNC(=O)CN1CCC(C)CC1 ZINC001321304170 959706420 /nfs/dbraw/zinc/70/64/20/959706420.db2.gz MUIWZZWZFOTQPB-AATRIKPKSA-N 1 3 277.412 1.004 10 30 CDEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1CC ZINC001569339852 1169772208 /nfs/dbraw/zinc/77/22/08/1169772208.db2.gz FROCSDDVSNTWML-DZGCQCFKSA-N 1 3 290.411 1.745 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001322305598 960176705 /nfs/dbraw/zinc/17/67/05/960176705.db2.gz FPAULZLEQMLUNM-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001322305598 960176712 /nfs/dbraw/zinc/17/67/12/960176712.db2.gz FPAULZLEQMLUNM-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001569577172 1169929580 /nfs/dbraw/zinc/92/95/80/1169929580.db2.gz HQFPKUVPERVCAI-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001355339709 969130301 /nfs/dbraw/zinc/13/03/01/969130301.db2.gz QCQSMAMHRDMGEB-IPYPFGDCSA-N 1 3 265.401 1.400 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001355450994 969163486 /nfs/dbraw/zinc/16/34/86/969163486.db2.gz DTHMSSIHSJSWTC-ZDUSSCGKSA-N 1 3 265.401 1.318 10 30 CDEEHO CC#CC[NH2+][C@H](CCNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001676175258 1174187603 /nfs/dbraw/zinc/18/76/03/1174187603.db2.gz DEFOWZUXWWKDAM-HUUCEWRRSA-N 1 3 281.444 1.470 10 30 CDEEHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001677023801 1174309733 /nfs/dbraw/zinc/30/97/33/1174309733.db2.gz PKRLXNULCUJMAL-CQSZACIVSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CC[NH+]1CCC([C@H](C)NC(=O)CN(C)C2CCC2)CC1 ZINC001677357497 1174352923 /nfs/dbraw/zinc/35/29/23/1174352923.db2.gz MKAXSMGHVMAOQZ-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001570715918 1170250361 /nfs/dbraw/zinc/25/03/61/1170250361.db2.gz JVPWCWUYZNOYEB-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001570715918 1170250364 /nfs/dbraw/zinc/25/03/64/1170250364.db2.gz JVPWCWUYZNOYEB-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000594438583 342906170 /nfs/dbraw/zinc/90/61/70/342906170.db2.gz OMXZJTOAPNOELL-KBPBESRZSA-N 1 3 280.416 1.388 10 30 CDEEHO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000594438583 342906171 /nfs/dbraw/zinc/90/61/71/342906171.db2.gz OMXZJTOAPNOELL-KBPBESRZSA-N 1 3 280.416 1.388 10 30 CDEEHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594439786 342907190 /nfs/dbraw/zinc/90/71/90/342907190.db2.gz ZSVCYMRGBXTVOQ-LSDHHAIUSA-N 1 3 294.443 1.492 10 30 CDEEHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594439786 342907191 /nfs/dbraw/zinc/90/71/91/342907191.db2.gz ZSVCYMRGBXTVOQ-LSDHHAIUSA-N 1 3 294.443 1.492 10 30 CDEEHO CC[NH+](CC)CCCNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600713326 342243897 /nfs/dbraw/zinc/24/38/97/342243897.db2.gz HQZYPNUXJYXNAK-OAHLLOKOSA-N 1 3 297.443 1.379 10 30 CDEEHO CCN(CC)CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600713326 342243898 /nfs/dbraw/zinc/24/38/98/342243898.db2.gz HQZYPNUXJYXNAK-OAHLLOKOSA-N 1 3 297.443 1.379 10 30 CDEEHO C[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)CN1CCCCC1 ZINC000600722220 342244836 /nfs/dbraw/zinc/24/48/36/342244836.db2.gz ZNFYRMLLODPDHJ-HUUCEWRRSA-N 1 3 279.428 1.753 10 30 CDEEHO C[C@H](CNC[C@H](O)CC1(C#N)CC1)C[NH+]1CCCCC1 ZINC000600722220 342244837 /nfs/dbraw/zinc/24/48/37/342244837.db2.gz ZNFYRMLLODPDHJ-HUUCEWRRSA-N 1 3 279.428 1.753 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000594424419 342904010 /nfs/dbraw/zinc/90/40/10/342904010.db2.gz DIFHFUNZBOPNDX-HNNXBMFYSA-N 1 3 292.427 1.388 10 30 CDEEHO N#CCCC[C@H](N)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595936583 343201936 /nfs/dbraw/zinc/20/19/36/343201936.db2.gz OHHLCDXCJAFNLE-GJZGRUSLSA-N 1 3 292.427 1.246 10 30 CDEEHO CN(C)CCC[N@H+](C)CCNc1ccc(C#N)nc1 ZINC000596424739 343311403 /nfs/dbraw/zinc/31/14/03/343311403.db2.gz KUCZUEUYTFTDFS-UHFFFAOYSA-N 1 3 261.373 1.249 10 30 CDEEHO CN(C)CCC[N@@H+](C)CCNc1ccc(C#N)nc1 ZINC000596424739 343311404 /nfs/dbraw/zinc/31/14/04/343311404.db2.gz KUCZUEUYTFTDFS-UHFFFAOYSA-N 1 3 261.373 1.249 10 30 CDEEHO CC[C@@H](NCCOCCC[NH3+])c1ccc(C#N)cc1 ZINC000600708317 349875820 /nfs/dbraw/zinc/87/58/20/349875820.db2.gz FQNFTNPBMPEEJJ-OAHLLOKOSA-N 1 3 261.369 1.964 10 30 CDEEHO C=CC[C@@]1(C(=O)Nc2cccc(CN)c2)CCC[NH2+]1 ZINC000662392824 412952081 /nfs/dbraw/zinc/95/20/81/412952081.db2.gz LPAMIAOQPIAAON-HNNXBMFYSA-N 1 3 259.353 1.782 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001663339458 1172675497 /nfs/dbraw/zinc/67/54/97/1172675497.db2.gz KXWOSTRKZGMOEH-UHFFFAOYSA-N 1 3 267.417 1.487 10 30 CDEEHO C=CC[C@]1(C(=O)N(C)C[C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000662684168 413307658 /nfs/dbraw/zinc/30/76/58/413307658.db2.gz BCFXYVUTWOQGBK-GDBMZVCRSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001664849629 1172920996 /nfs/dbraw/zinc/92/09/96/1172920996.db2.gz SRXAGPLVLRYCRO-GJZGRUSLSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001664849629 1172921002 /nfs/dbraw/zinc/92/10/02/1172921002.db2.gz SRXAGPLVLRYCRO-GJZGRUSLSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[C@]1(C(=O)N2CC[C@H](N3CCCCC3)C2)CCC[NH2+]1 ZINC000662718675 413375336 /nfs/dbraw/zinc/37/53/36/413375336.db2.gz RJKNAVSIGHLSLS-DOTOQJQBSA-N 1 3 291.439 1.772 10 30 CDEEHO C=CC[C@@]1(C(=O)NCCN2CC[C@H](C)C2)CCC[NH2+]1 ZINC000662746686 413421529 /nfs/dbraw/zinc/42/15/29/413421529.db2.gz QQWGKVWRMUWAHT-ZFWWWQNUSA-N 1 3 265.401 1.143 10 30 CDEEHO C[NH+]=C(NCc1nccs1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000245614579 260815379 /nfs/dbraw/zinc/81/53/79/260815379.db2.gz MESHNXSETWJCAU-VXGBXAGGSA-N 1 3 295.456 1.537 10 30 CDEEHO CC(C)N(CC#CC[N@H+](C[C@H](C)O)C(C)C)C[C@H](C)O ZINC000341879200 263362464 /nfs/dbraw/zinc/36/24/64/263362464.db2.gz AYJBABXMEFLPLF-HOTGVXAUSA-N 1 3 284.444 1.172 10 30 CDEEHO CC(C)N(CC#CC[N@@H+](C[C@H](C)O)C(C)C)C[C@H](C)O ZINC000341879200 263362466 /nfs/dbraw/zinc/36/24/66/263362466.db2.gz AYJBABXMEFLPLF-HOTGVXAUSA-N 1 3 284.444 1.172 10 30 CDEEHO C#CC[NH+]1CCC(C)(CNC(=O)CN(C)C(C)C)CC1 ZINC001671867588 1173716223 /nfs/dbraw/zinc/71/62/23/1173716223.db2.gz FJUXCMXLNOIOSW-UHFFFAOYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001698862159 1159133874 /nfs/dbraw/zinc/13/38/74/1159133874.db2.gz VIJLYRMZYRZAAN-CQSZACIVSA-N 1 3 269.433 1.729 10 30 CDEEHO C[C@@H]1CCCN(C(C)(C)CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262496801 330017857 /nfs/dbraw/zinc/01/78/57/330017857.db2.gz WUVVWQUHHFLSHN-ZIAGYGMSSA-N 1 3 296.459 1.532 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C(F)F ZINC000263191343 330048311 /nfs/dbraw/zinc/04/83/11/330048311.db2.gz YNVPDTFKFXWJIQ-UTLUCORTSA-N 1 3 260.332 1.029 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1CC12CCCC2 ZINC000263270289 330051377 /nfs/dbraw/zinc/05/13/77/330051377.db2.gz OYZOCQAENICIFY-STQMWFEESA-N 1 3 264.417 1.708 10 30 CDEEHO CCC[N@H+](CCO)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609659 521667200 /nfs/dbraw/zinc/66/72/00/521667200.db2.gz BYXGXCSCOJFYJN-UHFFFAOYSA-N 1 3 276.380 1.210 10 30 CDEEHO CCC[N@@H+](CCO)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609659 521667202 /nfs/dbraw/zinc/66/72/02/521667202.db2.gz BYXGXCSCOJFYJN-UHFFFAOYSA-N 1 3 276.380 1.210 10 30 CDEEHO CC(C)CN1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000055080698 519726525 /nfs/dbraw/zinc/72/65/25/519726525.db2.gz KGHNDRAVCQZTSY-UHFFFAOYSA-N 1 3 291.464 1.832 10 30 CDEEHO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccccc1C#CCN ZINC000061655671 521834401 /nfs/dbraw/zinc/83/44/01/521834401.db2.gz URXCCQSNJMYNEW-HNNXBMFYSA-N 1 3 285.391 1.163 10 30 CDEEHO NCC#Cc1ccsc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763107 527154794 /nfs/dbraw/zinc/15/47/94/527154794.db2.gz KVRGZESKTNXGFE-CQSZACIVSA-N 1 3 278.421 1.795 10 30 CDEEHO NCC#Cc1ccsc1C[N@H+]1CCC[C@@H]1CCCO ZINC000052763107 527154795 /nfs/dbraw/zinc/15/47/95/527154795.db2.gz KVRGZESKTNXGFE-CQSZACIVSA-N 1 3 278.421 1.795 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNC[C@@H]1CCC ZINC000876798484 1165918736 /nfs/dbraw/zinc/91/87/36/1165918736.db2.gz ZUKCLDRJYLWYLP-QWRGUYRKSA-N 1 3 259.781 1.057 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001568206308 1169178002 /nfs/dbraw/zinc/17/80/02/1169178002.db2.gz UKXWIRJCQCCCIQ-OLZOCXBDSA-N 1 3 255.406 1.101 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001650379052 1171001936 /nfs/dbraw/zinc/00/19/36/1171001936.db2.gz KMWIGLRUSAXETD-AAEUAGOBSA-N 1 3 293.798 1.936 10 30 CDEEHO C=CC[NH2+]CC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001674835524 1174015119 /nfs/dbraw/zinc/01/51/19/1174015119.db2.gz PKHJUQZXPCLOOJ-UHFFFAOYSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001676679805 1174253941 /nfs/dbraw/zinc/25/39/41/1174253941.db2.gz DVYRPCHWVDYGOV-CVEARBPZSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)CC(C)(C)C1 ZINC001692280139 1175723201 /nfs/dbraw/zinc/72/32/01/1175723201.db2.gz PQNACEMVAHEURQ-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)CC(C)(C)C1 ZINC001692280139 1175723205 /nfs/dbraw/zinc/72/32/05/1175723205.db2.gz PQNACEMVAHEURQ-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C ZINC001692370357 1175753633 /nfs/dbraw/zinc/75/36/33/1175753633.db2.gz LISXMVXDLHAUHZ-ILXRZTDVSA-N 1 3 281.444 1.728 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C ZINC001692370357 1175753637 /nfs/dbraw/zinc/75/36/37/1175753637.db2.gz LISXMVXDLHAUHZ-ILXRZTDVSA-N 1 3 281.444 1.728 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001698899114 1175980495 /nfs/dbraw/zinc/98/04/95/1175980495.db2.gz OZUSBXGCIFHMKW-GDBMZVCRSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001698919117 1175984860 /nfs/dbraw/zinc/98/48/60/1175984860.db2.gz WOBZGJRXUULXDU-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)CCC)C1 ZINC001699877407 1176665266 /nfs/dbraw/zinc/66/52/66/1176665266.db2.gz XGBDEUXAFQQXHS-QGZVFWFLSA-N 1 3 293.455 1.570 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)CCC)C1 ZINC001699877407 1176665269 /nfs/dbraw/zinc/66/52/69/1176665269.db2.gz XGBDEUXAFQQXHS-QGZVFWFLSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001700290788 1176834095 /nfs/dbraw/zinc/83/40/95/1176834095.db2.gz DJQIEDJAAMXSJK-CQSZACIVSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001700290788 1176834102 /nfs/dbraw/zinc/83/41/02/1176834102.db2.gz DJQIEDJAAMXSJK-CQSZACIVSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001713315071 1178491882 /nfs/dbraw/zinc/49/18/82/1178491882.db2.gz OCSWBHGJRFGSCH-GFCCVEGCSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001714078325 1178963881 /nfs/dbraw/zinc/96/38/81/1178963881.db2.gz HBTUVVJIPXOXPL-OAHLLOKOSA-N 1 3 295.471 1.979 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CCC ZINC001714995318 1179497618 /nfs/dbraw/zinc/49/76/18/1179497618.db2.gz PSOIAOIDNCBXCI-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CCC ZINC001714995318 1179497623 /nfs/dbraw/zinc/49/76/23/1179497623.db2.gz PSOIAOIDNCBXCI-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1CCC)C(C)C ZINC001715492579 1179681677 /nfs/dbraw/zinc/68/16/77/1179681677.db2.gz QQPLEXUIGPKUSD-GJZGRUSLSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001715703828 1179770436 /nfs/dbraw/zinc/77/04/36/1179770436.db2.gz TZYGZLMLLLTPLW-GFCCVEGCSA-N 1 3 278.400 1.711 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001716334460 1180159313 /nfs/dbraw/zinc/15/93/13/1180159313.db2.gz RWVHFKUSHBIMPI-FYCOFBDGSA-N 1 3 291.439 1.394 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001716334460 1180159315 /nfs/dbraw/zinc/15/93/15/1180159315.db2.gz RWVHFKUSHBIMPI-FYCOFBDGSA-N 1 3 291.439 1.394 10 30 CDEEHO CC#CC[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001717304543 1180611496 /nfs/dbraw/zinc/61/14/96/1180611496.db2.gz KAABRHMRDHKGRT-UHFFFAOYSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001717736665 1180818041 /nfs/dbraw/zinc/81/80/41/1180818041.db2.gz VSAWXZPCZJBENW-HZPDHXFCSA-N 1 3 293.455 1.423 10 30 CDEEHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001724601843 1181701848 /nfs/dbraw/zinc/70/18/48/1181701848.db2.gz BUFAPZZMXGHHSI-KGLIPLIRSA-N 1 3 267.417 1.197 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001725002902 1181819882 /nfs/dbraw/zinc/81/98/82/1181819882.db2.gz MQVMWRFHWKLDIW-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001725002902 1181819888 /nfs/dbraw/zinc/81/98/88/1181819888.db2.gz MQVMWRFHWKLDIW-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCN1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001725284274 1181951844 /nfs/dbraw/zinc/95/18/44/1181951844.db2.gz BMTGUKMXXFEMGH-ZDUSSCGKSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCN1C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001725284274 1181951845 /nfs/dbraw/zinc/95/18/45/1181951845.db2.gz BMTGUKMXXFEMGH-ZDUSSCGKSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001732147839 1182804826 /nfs/dbraw/zinc/80/48/26/1182804826.db2.gz XZXSKCPVLLIIMJ-KBPBESRZSA-N 1 3 265.401 1.189 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001732700692 1183092467 /nfs/dbraw/zinc/09/24/67/1183092467.db2.gz DPKOKVVHXSVSIY-GFCCVEGCSA-N 1 3 287.835 1.708 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001733177641 1183318374 /nfs/dbraw/zinc/31/83/74/1183318374.db2.gz SKSPEDCVUFAWSG-OAHLLOKOSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001733804763 1183536446 /nfs/dbraw/zinc/53/64/46/1183536446.db2.gz HKDGOPBQJFGGIC-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001733852831 1183549995 /nfs/dbraw/zinc/54/99/95/1183549995.db2.gz WGCLUDCJDAFUOV-GJZGRUSLSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001733930936 1183572235 /nfs/dbraw/zinc/57/22/35/1183572235.db2.gz ZULNISCQQPOJSI-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001733930936 1183572236 /nfs/dbraw/zinc/57/22/36/1183572236.db2.gz ZULNISCQQPOJSI-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001691708817 1164428486 /nfs/dbraw/zinc/42/84/86/1164428486.db2.gz IELYVBHDMZRLQA-XHSDSOJGSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC000876888622 739956840 /nfs/dbraw/zinc/95/68/40/739956840.db2.gz GDVVQYKRQBSYAJ-NSHDSACASA-N 1 3 261.797 1.257 10 30 CDEEHO N#Cc1ccc2c(c1)C[C@H](N[C@H]1C[C@@H]([NH3+])C13CCC3)C2 ZINC000925728636 740696427 /nfs/dbraw/zinc/69/64/27/740696427.db2.gz MIMFWWDTJVJPBP-OAGGEKHMSA-N 1 3 267.376 1.885 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000876922470 740931727 /nfs/dbraw/zinc/93/17/27/740931727.db2.gz AKWZHJWPERFNMX-STQMWFEESA-N 1 3 299.846 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000877141745 741178144 /nfs/dbraw/zinc/17/81/44/741178144.db2.gz KKYOETUWONQTNO-AWEZNQCLSA-N 1 3 293.798 1.418 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000876712681 742071509 /nfs/dbraw/zinc/07/15/09/742071509.db2.gz SHMOAUKIGNNHBJ-ZDUSSCGKSA-N 1 3 287.835 1.695 10 30 CDEEHO C#CC[C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000829775233 742073019 /nfs/dbraw/zinc/07/30/19/742073019.db2.gz ZQBAOSFMBROWCY-HUUCEWRRSA-N 1 3 250.386 1.178 10 30 CDEEHO CNC(NC[C@H]1CCN1C1CCCCCC1)=[NH+]C ZINC000864358007 739836958 /nfs/dbraw/zinc/83/69/58/739836958.db2.gz DEBFZKXFZQWEKM-CYBMUJFWSA-N 1 3 252.406 1.578 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000876939902 741029347 /nfs/dbraw/zinc/02/93/47/741029347.db2.gz OAZVGSQXGJRRON-GHMZBOCLSA-N 1 3 271.792 1.247 10 30 CDEEHO C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001566827378 1168434886 /nfs/dbraw/zinc/43/48/86/1168434886.db2.gz QRCMSZZLTMMLFG-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001566827378 1168434890 /nfs/dbraw/zinc/43/48/90/1168434890.db2.gz QRCMSZZLTMMLFG-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001566940065 1168475911 /nfs/dbraw/zinc/47/59/11/1168475911.db2.gz WXDMHXVIPOPKJR-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCC[NH2+][C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001266970364 896470182 /nfs/dbraw/zinc/47/01/82/896470182.db2.gz CPIHZCBAEUGNLN-CJNGLKHVSA-N 1 3 299.434 1.869 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001267201066 897131049 /nfs/dbraw/zinc/13/10/49/897131049.db2.gz JSEMTMHFJTZUMB-LSDHHAIUSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001268084256 901149045 /nfs/dbraw/zinc/14/90/45/901149045.db2.gz MXBUNSSKUWBLPD-QWHCGFSZSA-N 1 3 255.406 1.195 10 30 CDEEHO CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](CC)N(C)C ZINC001482393898 905290913 /nfs/dbraw/zinc/29/09/13/905290913.db2.gz SKPFSEYALDISRT-GJZGRUSLSA-N 1 3 281.444 1.470 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001271216883 906186033 /nfs/dbraw/zinc/18/60/33/906186033.db2.gz QTQPJDZDQKZVKK-CQSZACIVSA-N 1 3 289.423 1.984 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001482928295 908498432 /nfs/dbraw/zinc/49/84/32/908498432.db2.gz QVTIQBVZHOBIHZ-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001482928295 908498437 /nfs/dbraw/zinc/49/84/37/908498437.db2.gz QVTIQBVZHOBIHZ-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CCC[NH2+][C@@H](CC)CNC(=O)CN1CC[C@@H](C)C1 ZINC001567977499 1169104913 /nfs/dbraw/zinc/10/49/13/1169104913.db2.gz YIXYNAAPXSDGOE-KGLIPLIRSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCN1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001486184105 920790416 /nfs/dbraw/zinc/79/04/16/920790416.db2.gz QGSVEOYHVIQWRJ-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001486184105 920790429 /nfs/dbraw/zinc/79/04/29/920790429.db2.gz QGSVEOYHVIQWRJ-LSDHHAIUSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001486516078 921090934 /nfs/dbraw/zinc/09/09/34/921090934.db2.gz YOYDNXWSMHFQES-OAHLLOKOSA-N 1 3 291.439 1.653 10 30 CDEEHO C=CCC[N@@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001486516078 921090946 /nfs/dbraw/zinc/09/09/46/921090946.db2.gz YOYDNXWSMHFQES-OAHLLOKOSA-N 1 3 291.439 1.653 10 30 CDEEHO C=C(C)CN1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001491224379 936879697 /nfs/dbraw/zinc/87/96/97/936879697.db2.gz HXJQKHZIUQCXDY-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001568505988 1169340312 /nfs/dbraw/zinc/34/03/12/1169340312.db2.gz HSKBXRAGXVLTII-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568505988 1169340321 /nfs/dbraw/zinc/34/03/21/1169340321.db2.gz HSKBXRAGXVLTII-AWEZNQCLSA-N 1 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JEQHJJWQHBFXGQ-CABCVRRESA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001331323679 956968951 /nfs/dbraw/zinc/96/89/51/956968951.db2.gz GHJFTXLMHKUVFY-LSDHHAIUSA-N 1 3 281.444 1.585 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317128026 957289917 /nfs/dbraw/zinc/28/99/17/957289917.db2.gz LSKAXKDEESSONC-CALCHBBNSA-N 1 3 299.418 1.622 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001317158582 957310413 /nfs/dbraw/zinc/31/04/13/957310413.db2.gz USGPRQYLNMUXEO-CVEARBPZSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001317202073 957339762 /nfs/dbraw/zinc/33/97/62/957339762.db2.gz DUVWTUZVXQGEEM-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001317202073 957339773 /nfs/dbraw/zinc/33/97/73/957339773.db2.gz DUVWTUZVXQGEEM-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001332043717 957413179 /nfs/dbraw/zinc/41/31/79/957413179.db2.gz ASEANILTGVJPPH-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001317527560 957531387 /nfs/dbraw/zinc/53/13/87/957531387.db2.gz MZCHBRVFZZLJIZ-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001317527560 957531392 /nfs/dbraw/zinc/53/13/92/957531392.db2.gz MZCHBRVFZZLJIZ-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[NH2+][C@H](CC)CNC(=O)Cc1nc[nH]c1C ZINC001495099375 972407355 /nfs/dbraw/zinc/40/73/55/972407355.db2.gz SEZVVUAHVOBOOC-GFCCVEGCSA-N 1 3 264.373 1.321 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320890798 959441928 /nfs/dbraw/zinc/44/19/28/959441928.db2.gz ACRSHCOFUPVUNG-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)[C@H](F)CN(CC)CC)CCCC1 ZINC001495161467 972431170 /nfs/dbraw/zinc/43/11/70/972431170.db2.gz HQXCWNXOPVSKDY-CQSZACIVSA-N 1 3 297.418 1.318 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001556466552 965044643 /nfs/dbraw/zinc/04/46/43/965044643.db2.gz DBGVEOAANYYFBD-UHFFFAOYSA-N 1 3 267.417 1.295 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001569524414 1169910171 /nfs/dbraw/zinc/91/01/71/1169910171.db2.gz ZRLUXZZFRGABNS-KGLIPLIRSA-N 1 3 290.411 1.888 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001467728582 970097028 /nfs/dbraw/zinc/09/70/28/970097028.db2.gz MGIAHNXOIWMYFJ-LSDHHAIUSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001467728582 970097041 /nfs/dbraw/zinc/09/70/41/970097041.db2.gz MGIAHNXOIWMYFJ-LSDHHAIUSA-N 1 3 281.444 1.683 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497619740 973435327 /nfs/dbraw/zinc/43/53/27/973435327.db2.gz GOPCMCPMJCILDP-IYKSTZQJSA-N 1 3 277.412 1.002 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497619740 973435331 /nfs/dbraw/zinc/43/53/31/973435331.db2.gz GOPCMCPMJCILDP-IYKSTZQJSA-N 1 3 277.412 1.002 10 30 CDEEHO C#CCC[N@@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001506001424 975078196 /nfs/dbraw/zinc/07/81/96/975078196.db2.gz AFBXRADNTWWQSR-CQSZACIVSA-N 1 3 281.444 1.424 10 30 CDEEHO C#CCC[N@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001506001424 975078198 /nfs/dbraw/zinc/07/81/98/975078198.db2.gz AFBXRADNTWWQSR-CQSZACIVSA-N 1 3 281.444 1.424 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)CCC)CCO1 ZINC001506853233 975234802 /nfs/dbraw/zinc/23/48/02/975234802.db2.gz TUWJDXWJCDSEPF-HUUCEWRRSA-N 1 3 297.443 1.110 10 30 CDEEHO C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001506906985 975254898 /nfs/dbraw/zinc/25/48/98/975254898.db2.gz NPAHNWXSBGESGP-JYJNAYRXSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001571023430 1170330877 /nfs/dbraw/zinc/33/08/77/1170330877.db2.gz QKCHDNVCZCAOBP-HRCADAONSA-N 1 3 291.439 1.177 10 30 CDEEHO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001571023430 1170330883 /nfs/dbraw/zinc/33/08/83/1170330883.db2.gz QKCHDNVCZCAOBP-HRCADAONSA-N 1 3 291.439 1.177 10 30 CDEEHO CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001571658154 1170512654 /nfs/dbraw/zinc/51/26/54/1170512654.db2.gz LSMPRGZJFBRJMT-NRXISQOPSA-N 1 3 297.418 1.269 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)CCC ZINC001656452176 1171826132 /nfs/dbraw/zinc/82/61/32/1171826132.db2.gz DMGWKAQVQVNNEG-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCOc1ccc(C[NH2+]CC2(N)CCOCC2)cc1 ZINC000629387795 361903250 /nfs/dbraw/zinc/90/32/50/361903250.db2.gz NIKJBWABESVJFO-UHFFFAOYSA-N 1 3 276.380 1.849 10 30 CDEEHO CN(C(=O)[C@@H](N)CCCCC#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000594439040 342906730 /nfs/dbraw/zinc/90/67/30/342906730.db2.gz NDIRIBPQOGHIOS-PIGZVRMJSA-N 1 3 278.400 1.139 10 30 CDEEHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)c1 ZINC000600717740 342244478 /nfs/dbraw/zinc/24/44/78/342244478.db2.gz MXOXSYAACSMTOO-MRXNPFEDSA-N 1 3 287.407 1.893 10 30 CDEEHO CC(C)(C[NH2+]C[C@H](O)CC1(C#N)CC1)CN1CCCC1 ZINC000600735808 342246310 /nfs/dbraw/zinc/24/63/10/342246310.db2.gz VTCBOFWKMVVIRX-CQSZACIVSA-N 1 3 279.428 1.753 10 30 CDEEHO CC(C)(CNC[C@H](O)CC1(C#N)CC1)C[NH+]1CCCC1 ZINC000600735808 342246311 /nfs/dbraw/zinc/24/63/11/342246311.db2.gz VTCBOFWKMVVIRX-CQSZACIVSA-N 1 3 279.428 1.753 10 30 CDEEHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000595938737 343202365 /nfs/dbraw/zinc/20/23/65/343202365.db2.gz RHHDBPKPQIMPKI-CHWSQXEVSA-N 1 3 280.416 1.387 10 30 CDEEHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000595938737 343202366 /nfs/dbraw/zinc/20/23/66/343202366.db2.gz RHHDBPKPQIMPKI-CHWSQXEVSA-N 1 3 280.416 1.387 10 30 CDEEHO CCC(C#N)(CC)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000600090778 344175441 /nfs/dbraw/zinc/17/54/41/344175441.db2.gz WYGHQCNEJUCOHR-AWEZNQCLSA-N 1 3 296.459 1.705 10 30 CDEEHO CCC(C#N)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000600090778 344175444 /nfs/dbraw/zinc/17/54/44/344175444.db2.gz WYGHQCNEJUCOHR-AWEZNQCLSA-N 1 3 296.459 1.705 10 30 CDEEHO C=CCOCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665263677 413991415 /nfs/dbraw/zinc/99/14/15/413991415.db2.gz RRGMTSMEXSYQPJ-QLFBSQMISA-N 1 3 268.401 1.326 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001665799877 1173063507 /nfs/dbraw/zinc/06/35/07/1173063507.db2.gz YIPHYNOQWAUGHG-GFCCVEGCSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001667198274 1173244677 /nfs/dbraw/zinc/24/46/77/1173244677.db2.gz OSGFNOWLXJPJJJ-GJZGRUSLSA-N 1 3 295.471 1.977 10 30 CDEEHO CC#CC[NH2+]CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001670291798 1173669554 /nfs/dbraw/zinc/66/95/54/1173669554.db2.gz YATIPZNETFZIDG-UHFFFAOYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CCN1CCC(NC(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000171711283 329078652 /nfs/dbraw/zinc/07/86/52/329078652.db2.gz OSMSLGLNZGVIJR-AWEZNQCLSA-N 1 3 296.459 1.666 10 30 CDEEHO CC(C)N(CCNC(=[NH2+])N1CCO[C@@H](C)C1)C(C)C ZINC000262468637 330015284 /nfs/dbraw/zinc/01/52/84/330015284.db2.gz OGQDHDZCZBLCHW-ZDUSSCGKSA-N 1 3 270.421 1.141 10 30 CDEEHO C=CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CC1 ZINC000665760209 482444817 /nfs/dbraw/zinc/44/48/17/482444817.db2.gz CEHMLZVMWGRHML-AWEZNQCLSA-N 1 3 296.459 1.618 10 30 CDEEHO C=CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CC1 ZINC000665760209 482444818 /nfs/dbraw/zinc/44/48/18/482444818.db2.gz CEHMLZVMWGRHML-AWEZNQCLSA-N 1 3 296.459 1.618 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001714277579 1179061267 /nfs/dbraw/zinc/06/12/67/1179061267.db2.gz BZVGAHFRCXIPRA-HUUCEWRRSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001714455730 1179146449 /nfs/dbraw/zinc/14/64/49/1179146449.db2.gz ZIAGGBPTRIMARG-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001714455730 1179146451 /nfs/dbraw/zinc/14/64/51/1179146451.db2.gz ZIAGGBPTRIMARG-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO COc1ccc(CN2CCCSCC2)cc1C#CC[NH3+] ZINC000049609940 524027681 /nfs/dbraw/zinc/02/76/81/524027681.db2.gz RQVCHQCHJNKDSM-UHFFFAOYSA-N 1 3 290.432 1.944 10 30 CDEEHO C[NH+](C)C1CCN(Cc2ccccc2C#CCN)CC1 ZINC000049609195 524040515 /nfs/dbraw/zinc/04/05/15/524040515.db2.gz IDAPVLWAXXXAOY-UHFFFAOYSA-N 1 3 271.408 1.523 10 30 CDEEHO C[C@H](CC[NH+](C)C)NC(=O)c1ccccc1C#CCN ZINC000049561922 524162889 /nfs/dbraw/zinc/16/28/89/524162889.db2.gz BRKLKGHPTKSNRS-CYBMUJFWSA-N 1 3 273.380 1.067 10 30 CDEEHO C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C#CCN)cc1 ZINC000049189210 524591037 /nfs/dbraw/zinc/59/10/37/524591037.db2.gz PRTSNXCTZWHZER-AWEZNQCLSA-N 1 3 285.391 1.211 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483016375 1160666139 /nfs/dbraw/zinc/66/61/39/1160666139.db2.gz COOXAOKSHLWNRV-KJPDOMRESA-N 1 3 289.423 1.289 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001483016375 1160666142 /nfs/dbraw/zinc/66/61/42/1160666142.db2.gz COOXAOKSHLWNRV-KJPDOMRESA-N 1 3 289.423 1.289 10 30 CDEEHO C#CCC[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)C ZINC001571636902 1170504058 /nfs/dbraw/zinc/50/40/58/1170504058.db2.gz KPDVZPNICBBDFY-CQSZACIVSA-N 1 3 290.411 1.404 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001661610470 1172415912 /nfs/dbraw/zinc/41/59/12/1172415912.db2.gz SKRYIJCAAWLGNG-OKILXGFUSA-N 1 3 279.428 1.674 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001669399603 1173547111 /nfs/dbraw/zinc/54/71/11/1173547111.db2.gz FZXLEBJSGYSPLZ-IUODEOHRSA-N 1 3 285.407 1.479 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C1CCCC1 ZINC001671555149 1173688900 /nfs/dbraw/zinc/68/89/00/1173688900.db2.gz WQYJRLBAPPTRBV-GJZGRUSLSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001698860760 1175967156 /nfs/dbraw/zinc/96/71/56/1175967156.db2.gz KSDMJUKIZVEAMM-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[N@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001698955876 1175994476 /nfs/dbraw/zinc/99/44/76/1175994476.db2.gz COMZZXYPLUTFQB-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[N@@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001698955876 1175994481 /nfs/dbraw/zinc/99/44/81/1175994481.db2.gz COMZZXYPLUTFQB-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001699134034 1176108274 /nfs/dbraw/zinc/10/82/74/1176108274.db2.gz HGXYSGCPSHGASS-XJKSGUPXSA-N 1 3 299.434 1.869 10 30 CDEEHO C=CCC[NH2+]C/C=C/CNC(=O)Cc1nc[nH]c1C ZINC001699337015 1176258127 /nfs/dbraw/zinc/25/81/27/1176258127.db2.gz FEZVNIBOKVRCBO-AATRIKPKSA-N 1 3 262.357 1.099 10 30 CDEEHO C=CCC[C@H](C)[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001699669927 1176562038 /nfs/dbraw/zinc/56/20/38/1176562038.db2.gz PKLFZTYNFUGCEG-LBPRGKRZSA-N 1 3 290.411 1.854 10 30 CDEEHO CC#CC[NH2+]C[C@H](CCCC)NC(=O)CN1CC[C@@H](C)C1 ZINC001700520774 1176993769 /nfs/dbraw/zinc/99/37/69/1176993769.db2.gz PXGUPNHWYGXLDA-CVEARBPZSA-N 1 3 293.455 1.616 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001713771269 1178746163 /nfs/dbraw/zinc/74/61/63/1178746163.db2.gz GWEQDQCJWCRGIU-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001713771269 1178746166 /nfs/dbraw/zinc/74/61/66/1178746166.db2.gz GWEQDQCJWCRGIU-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)CN1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714022477 1178931993 /nfs/dbraw/zinc/93/19/93/1178931993.db2.gz TVAQTOLDYSBIIQ-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001714313816 1179080936 /nfs/dbraw/zinc/08/09/36/1179080936.db2.gz UCZBEEJHDVTXFA-KKUMJFAQSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC)CC(C)C)CC1 ZINC001714946632 1179470933 /nfs/dbraw/zinc/47/09/33/1179470933.db2.gz YYDINYSKEBGKTF-MRXNPFEDSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCCN1CC ZINC001715916325 1179911854 /nfs/dbraw/zinc/91/18/54/1179911854.db2.gz WHJPQMMUDLLXRK-ZPIQOJFGSA-N 1 3 277.412 1.146 10 30 CDEEHO C=CCCC[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001716003479 1179977483 /nfs/dbraw/zinc/97/74/83/1179977483.db2.gz OXZMYPHZFZDXJA-UHFFFAOYSA-N 1 3 267.417 1.439 10 30 CDEEHO C=CCCC[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001716003479 1179977492 /nfs/dbraw/zinc/97/74/92/1179977492.db2.gz OXZMYPHZFZDXJA-UHFFFAOYSA-N 1 3 267.417 1.439 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001716075660 1180032994 /nfs/dbraw/zinc/03/29/94/1180032994.db2.gz PHPWOEYBOWNGHO-CABCVRRESA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001716784048 1180413976 /nfs/dbraw/zinc/41/39/76/1180413976.db2.gz HIFJDFCTHVDHDX-GJZGRUSLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001724601842 1181701314 /nfs/dbraw/zinc/70/13/14/1181701314.db2.gz BUFAPZZMXGHHSI-KBPBESRZSA-N 1 3 267.417 1.197 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001725353563 1181969450 /nfs/dbraw/zinc/96/94/50/1181969450.db2.gz PIXHLNWSLBUGMC-BZUAXINKSA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001733065431 1183273473 /nfs/dbraw/zinc/27/34/73/1183273473.db2.gz IILIIWQBQLRGMR-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001733065431 1183273478 /nfs/dbraw/zinc/27/34/78/1183273478.db2.gz IILIIWQBQLRGMR-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001733182855 1183321304 /nfs/dbraw/zinc/32/13/04/1183321304.db2.gz AWGKDVCOUFMXHR-ZBFHGGJFSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(Cl)CNCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001734260345 1183706733 /nfs/dbraw/zinc/70/67/33/1183706733.db2.gz KBOOGWCGIBMZMU-ZDUSSCGKSA-N 1 3 299.846 1.709 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000876876753 745329921 /nfs/dbraw/zinc/32/99/21/745329921.db2.gz ULYDDQOTHZWIJU-NWDGAFQWSA-N 1 3 273.808 1.399 10 30 CDEEHO C=CCN1CCC(NC(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876755262 745383892 /nfs/dbraw/zinc/38/38/92/745383892.db2.gz IQLJUOUXECGRIT-VBROQKIQSA-N 1 3 277.412 1.309 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000876728251 745869379 /nfs/dbraw/zinc/86/93/79/745869379.db2.gz ZAUMIELEDJPYBU-WOPDTQHZSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876728251 745869384 /nfs/dbraw/zinc/86/93/84/745869384.db2.gz ZAUMIELEDJPYBU-WOPDTQHZSA-N 1 3 271.792 1.199 10 30 CDEEHO CN(C)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852855455 747893298 /nfs/dbraw/zinc/89/32/98/747893298.db2.gz ZJBHTDWQISRCMU-KRWDZBQOSA-N 1 3 299.418 1.409 10 30 CDEEHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000715569064 748180284 /nfs/dbraw/zinc/18/02/84/748180284.db2.gz GAZPMIKAVRIZKR-MGPQQGTHSA-N 1 3 280.416 1.387 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000876533306 748934361 /nfs/dbraw/zinc/93/43/61/748934361.db2.gz HUVWLZMVCHZBPF-DCAQKATOSA-N 1 3 259.781 1.042 10 30 CDEEHO C=CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266617298 895596455 /nfs/dbraw/zinc/59/64/55/895596455.db2.gz DBGDJSPOENRHBT-ZDUSSCGKSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266617298 895596456 /nfs/dbraw/zinc/59/64/56/895596456.db2.gz DBGDJSPOENRHBT-ZDUSSCGKSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001266821046 896120736 /nfs/dbraw/zinc/12/07/36/896120736.db2.gz WRTQDMDNAFZVOE-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C#CCN[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001266963656 896454747 /nfs/dbraw/zinc/45/47/47/896454747.db2.gz BXDHMNRHTQXFCY-GOEBONIOSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCN[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001266963656 896454754 /nfs/dbraw/zinc/45/47/54/896454754.db2.gz BXDHMNRHTQXFCY-GOEBONIOSA-N 1 3 291.439 1.511 10 30 CDEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267201060 897131109 /nfs/dbraw/zinc/13/11/09/897131109.db2.gz JSEMTMHFJTZUMB-CABCVRRESA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCC[N@@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001267217553 897183108 /nfs/dbraw/zinc/18/31/08/897183108.db2.gz KPWYIWMNJFMUHY-UHFFFAOYSA-N 1 3 269.433 1.588 10 30 CDEEHO C=CCC[N@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001267217553 897183113 /nfs/dbraw/zinc/18/31/13/897183113.db2.gz KPWYIWMNJFMUHY-UHFFFAOYSA-N 1 3 269.433 1.588 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001480948197 898073635 /nfs/dbraw/zinc/07/36/35/898073635.db2.gz XKAAEJFRWGSFTL-UHFFFAOYSA-N 1 3 281.444 1.877 10 30 CDEEHO C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267570642 898427598 /nfs/dbraw/zinc/42/75/98/898427598.db2.gz QWWYPHHRGXUYRC-HUUCEWRRSA-N 1 3 279.428 1.034 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267570642 898427602 /nfs/dbraw/zinc/42/76/02/898427602.db2.gz QWWYPHHRGXUYRC-HUUCEWRRSA-N 1 3 279.428 1.034 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001269079932 903400597 /nfs/dbraw/zinc/40/05/97/903400597.db2.gz VRARHIRSACTXOE-CQSZACIVSA-N 1 3 265.401 1.141 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001271666792 906577010 /nfs/dbraw/zinc/57/70/10/906577010.db2.gz SYBSCYHSXQEQCB-UONOGXRCSA-N 1 3 290.411 1.745 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001482642581 908108926 /nfs/dbraw/zinc/10/89/26/908108926.db2.gz MIUAKWQUPFQILL-JKSUJKDBSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483007487 908683923 /nfs/dbraw/zinc/68/39/23/908683923.db2.gz AKPJDAPHFYWUCO-PRQMKSPXSA-N 1 3 277.412 1.002 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001483007487 908683927 /nfs/dbraw/zinc/68/39/27/908683927.db2.gz AKPJDAPHFYWUCO-PRQMKSPXSA-N 1 3 277.412 1.002 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1CC ZINC001483623325 911827517 /nfs/dbraw/zinc/82/75/17/911827517.db2.gz IHCKFJQFNVBEEB-HZPDHXFCSA-N 1 3 293.455 1.568 10 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TXSCKOCDJHZKPB-KRWDZBQOSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CCN1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001281101422 942535859 /nfs/dbraw/zinc/53/58/59/942535859.db2.gz TXSCKOCDJHZKPB-KRWDZBQOSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CCC[N@@H+](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001277428964 942549661 /nfs/dbraw/zinc/54/96/61/942549661.db2.gz GJQHBXLVXITRKW-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[N@H+](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001277428964 942549664 /nfs/dbraw/zinc/54/96/64/942549664.db2.gz GJQHBXLVXITRKW-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001277937973 944126802 /nfs/dbraw/zinc/12/68/02/944126802.db2.gz MADSDLJFHCNVNU-CZUORRHYSA-N 1 3 297.418 1.269 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265851299 944541489 /nfs/dbraw/zinc/54/14/89/944541489.db2.gz KSYWDKUHHWEXKE-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001265851299 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C=C(C)CC[N@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001492423050 955875010 /nfs/dbraw/zinc/87/50/10/955875010.db2.gz LONJOPWXOOHRMH-UHFFFAOYSA-N 1 3 283.460 1.979 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316859331 956646351 /nfs/dbraw/zinc/64/63/51/956646351.db2.gz NVEQZAHDRPOYKX-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CCNC(=O)Cc1nc[nH]c1C ZINC001317413579 957461322 /nfs/dbraw/zinc/46/13/22/957461322.db2.gz YHQHSJVRMWNTII-NSHDSACASA-N 1 3 264.373 1.321 10 30 CDEEHO C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001317810867 957673898 /nfs/dbraw/zinc/67/38/98/957673898.db2.gz GRDWQTCAMVWOSW-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001317810867 957673905 /nfs/dbraw/zinc/67/39/05/957673905.db2.gz GRDWQTCAMVWOSW-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317862631 957697255 /nfs/dbraw/zinc/69/72/55/957697255.db2.gz 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C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001675317149 1174101518 /nfs/dbraw/zinc/10/15/18/1174101518.db2.gz CNERTSWQNSDODI-HOCLYGCPSA-N 1 3 295.471 1.975 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001570092904 1170076265 /nfs/dbraw/zinc/07/62/65/1170076265.db2.gz WSJKUOPOBIRJJP-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000594438729 342906418 /nfs/dbraw/zinc/90/64/18/342906418.db2.gz KUJGYVHNQBQMRN-CABCVRRESA-N 1 3 292.427 1.388 10 30 CDEEHO C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000594440624 342907198 /nfs/dbraw/zinc/90/71/98/342907198.db2.gz HDCDBZRBCAREJJ-ILXRZTDVSA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000594440624 342907199 /nfs/dbraw/zinc/90/71/99/342907199.db2.gz HDCDBZRBCAREJJ-ILXRZTDVSA-N 1 3 294.443 1.634 10 30 CDEEHO C[C@H](CNC(=O)[C@@H](N)CCCCC#N)C[NH+]1CCCC1 ZINC000594441680 342907547 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C=CC[C@@]1(C(=O)N2CCC[C@@H](N(C)C)C2)CCC[NH2+]1 ZINC000662713784 413369154 /nfs/dbraw/zinc/36/91/54/413369154.db2.gz YTRYVJIFAHWQPT-HIFRSBDPSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@]2(CC=C)CCC[NH2+]2)CC1 ZINC000662721068 413382555 /nfs/dbraw/zinc/38/25/55/413382555.db2.gz IXXMPGNSOHIHIF-INIZCTEOSA-N 1 3 277.412 1.451 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001667032689 1173225516 /nfs/dbraw/zinc/22/55/16/1173225516.db2.gz DLMDWFQXTVJHNT-UONOGXRCSA-N 1 3 269.433 1.585 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653117868 424304023 /nfs/dbraw/zinc/30/40/23/424304023.db2.gz XXMCLRLGBIFQLW-CABCVRRESA-N 1 3 277.412 1.284 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001716075663 1180032328 /nfs/dbraw/zinc/03/23/28/1180032328.db2.gz PHPWOEYBOWNGHO-LSDHHAIUSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001734039297 1183628994 /nfs/dbraw/zinc/62/89/94/1183628994.db2.gz KAYXXOBCKQDSSV-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001734039297 1183628995 /nfs/dbraw/zinc/62/89/95/1183628995.db2.gz KAYXXOBCKQDSSV-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCN(CC=C)C[C@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052376695 518770527 /nfs/dbraw/zinc/77/05/27/518770527.db2.gz DDBMDALRNRJBJC-LSDHHAIUSA-N 1 3 250.386 1.960 10 30 CDEEHO CC(C)N1CCN(Cc2ccc(C#CC[NH3+])cc2F)CC1 ZINC000049609279 519682504 /nfs/dbraw/zinc/68/25/04/519682504.db2.gz OXINXAMOVCGEPR-UHFFFAOYSA-N 1 3 289.398 1.662 10 30 CDEEHO C[NH+](C)CC1CCN(CC[C@H](C#N)NC2CC2)CC1 ZINC000062436825 524049492 /nfs/dbraw/zinc/04/94/92/524049492.db2.gz RQOCBCGIVWAEIA-OAHLLOKOSA-N 1 3 264.417 1.294 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001688911102 1175064158 /nfs/dbraw/zinc/06/41/58/1175064158.db2.gz ZYYOLCGYQCMBJX-MJBXVCDLSA-N 1 3 267.417 1.387 10 30 CDEEHO CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001689265566 1175133273 /nfs/dbraw/zinc/13/32/73/1175133273.db2.gz XRUFKMKDOHVZKB-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001691263244 1158984040 /nfs/dbraw/zinc/98/40/40/1158984040.db2.gz KFQJKDUWWBIUPH-LSDHHAIUSA-N 1 3 281.444 1.779 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001566863615 1168449688 /nfs/dbraw/zinc/44/96/88/1168449688.db2.gz YEWKLTVRPHMEJH-QLFBSQMISA-N 1 3 279.428 1.674 10 30 CDEEHO C=CC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001569673894 1169963129 /nfs/dbraw/zinc/96/31/29/1169963129.db2.gz ZPBRUAGNFMFLBL-INIZCTEOSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001650417685 1171046365 /nfs/dbraw/zinc/04/63/65/1171046365.db2.gz NHXFSRCZCVTCAU-LLVKDONJSA-N 1 3 273.808 1.304 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001650417685 1171046372 /nfs/dbraw/zinc/04/63/72/1171046372.db2.gz NHXFSRCZCVTCAU-LLVKDONJSA-N 1 3 273.808 1.304 10 30 CDEEHO CC#CCN(CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001660744755 1172270614 /nfs/dbraw/zinc/27/06/14/1172270614.db2.gz NSUIWRNVLHWANE-UHFFFAOYSA-N 1 3 289.423 1.076 10 30 CDEEHO C=CCCC[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001662239580 1172514617 /nfs/dbraw/zinc/51/46/17/1172514617.db2.gz SQEIQUDDVUOYFM-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001662351442 1172535905 /nfs/dbraw/zinc/53/59/05/1172535905.db2.gz VYGYVAKKMOZIPP-LSDHHAIUSA-N 1 3 279.428 1.367 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001668652380 1173436175 /nfs/dbraw/zinc/43/61/75/1173436175.db2.gz NVYSEWXHYFDBTP-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001676667344 1174252956 /nfs/dbraw/zinc/25/29/56/1174252956.db2.gz DEIOPZDBYBMSAL-CABCVRRESA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001676754941 1174267552 /nfs/dbraw/zinc/26/75/52/1174267552.db2.gz HXRRDIMEOQGXPA-LSDHHAIUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCN1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001690453243 1175474193 /nfs/dbraw/zinc/47/41/93/1175474193.db2.gz UNTUCOCHXHUDQC-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001698588950 1175859526 /nfs/dbraw/zinc/85/95/26/1175859526.db2.gz XAOMJZAPFYRPPJ-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)CN1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001698809135 1175940271 /nfs/dbraw/zinc/94/02/71/1175940271.db2.gz XLJFDINUDPUWHD-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001699743905 1176600542 /nfs/dbraw/zinc/60/05/42/1176600542.db2.gz RNYVIEWLLRRNGV-HUUCEWRRSA-N 1 3 279.428 1.319 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001699949079 1176692520 /nfs/dbraw/zinc/69/25/20/1176692520.db2.gz BKPJXHXMUULQGF-CABCVRRESA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCNC1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001700141678 1176768195 /nfs/dbraw/zinc/76/81/95/1176768195.db2.gz GFOXIZWBVHOYNJ-CABCVRRESA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001714390076 1179119730 /nfs/dbraw/zinc/11/97/30/1179119730.db2.gz BLBGOHFJUOUVCE-GJZGRUSLSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001714418569 1179130031 /nfs/dbraw/zinc/13/00/31/1179130031.db2.gz BTNWZZDUZCVCOK-AWEZNQCLSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001714489777 1179167545 /nfs/dbraw/zinc/16/75/45/1179167545.db2.gz RJQUBSMNTJTTBG-CZUORRHYSA-N 1 3 297.418 1.317 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001714620808 1179270449 /nfs/dbraw/zinc/27/04/49/1179270449.db2.gz VZJQZELXEMQZEH-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001714620808 1179270457 /nfs/dbraw/zinc/27/04/57/1179270457.db2.gz VZJQZELXEMQZEH-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001714657657 1179303090 /nfs/dbraw/zinc/30/30/90/1179303090.db2.gz VDFXNSFMMSGJDE-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CCNCCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001714739175 1179367275 /nfs/dbraw/zinc/36/72/75/1179367275.db2.gz IETHRDPMZCUWFX-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CCNCCN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001714739175 1179367283 /nfs/dbraw/zinc/36/72/83/1179367283.db2.gz IETHRDPMZCUWFX-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001715598475 1179729537 /nfs/dbraw/zinc/72/95/37/1179729537.db2.gz RXCHJQDOIPTUMS-CHWSQXEVSA-N 1 3 255.406 1.243 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)CCC ZINC001716072787 1180031447 /nfs/dbraw/zinc/03/14/47/1180031447.db2.gz HHIROUIDTBDUSU-LSDHHAIUSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001717110169 1180532540 /nfs/dbraw/zinc/53/25/40/1180532540.db2.gz BXGFPNAYSKBTMZ-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCN1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001718033870 1180978207 /nfs/dbraw/zinc/97/82/07/1180978207.db2.gz YLWZISWIBYLUCU-UHFFFAOYSA-N 1 3 291.439 1.797 10 30 CDEEHO C=CC[NH2+]CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001723155986 1181521705 /nfs/dbraw/zinc/52/17/05/1181521705.db2.gz GYQJYUIERDBEMX-UHFFFAOYSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001723689650 1181593048 /nfs/dbraw/zinc/59/30/48/1181593048.db2.gz AEKJQFMOTCAZPJ-QGZVFWFLSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001723689650 1181593053 /nfs/dbraw/zinc/59/30/53/1181593053.db2.gz AEKJQFMOTCAZPJ-QGZVFWFLSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724022960 1181630286 /nfs/dbraw/zinc/63/02/86/1181630286.db2.gz LQJXNCDOMXHMLQ-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001724022960 1181630288 /nfs/dbraw/zinc/63/02/88/1181630288.db2.gz LQJXNCDOMXHMLQ-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001725599025 1182068847 /nfs/dbraw/zinc/06/88/47/1182068847.db2.gz UKBPZTZPMABPTO-HUUCEWRRSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001732542396 1183001032 /nfs/dbraw/zinc/00/10/32/1183001032.db2.gz YUWKYVGQKLKEFX-ZBFHGGJFSA-N 1 3 291.439 1.321 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001732724802 1183099370 /nfs/dbraw/zinc/09/93/70/1183099370.db2.gz VGMFZLLXGWINJF-GFCCVEGCSA-N 1 3 287.835 1.565 10 30 CDEEHO CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001734076414 1183648560 /nfs/dbraw/zinc/64/85/60/1183648560.db2.gz BUODKESNPVZBMO-CVEARBPZSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC001734260885 1183706673 /nfs/dbraw/zinc/70/66/73/1183706673.db2.gz CPDPPMNOGWCPSD-HNNXBMFYSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000876533236 751777628 /nfs/dbraw/zinc/77/76/28/751777628.db2.gz GMQZGRORWOEKGE-DVVUODLYSA-N 1 3 259.781 1.042 10 30 CDEEHO C#CCC(CC#C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000857304115 751802160 /nfs/dbraw/zinc/80/21/60/751802160.db2.gz CTFXIDKRNIWSFD-HNNXBMFYSA-N 1 3 291.439 1.037 10 30 CDEEHO C#CCC(CC#C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000857304115 751802162 /nfs/dbraw/zinc/80/21/62/751802162.db2.gz CTFXIDKRNIWSFD-HNNXBMFYSA-N 1 3 291.439 1.037 10 30 CDEEHO CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1CCCN1C ZINC000262013756 751931717 /nfs/dbraw/zinc/93/17/17/751931717.db2.gz VEPFSOVSHSWIOE-OAHLLOKOSA-N 1 3 274.412 1.788 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000876734043 749526485 /nfs/dbraw/zinc/52/64/85/749526485.db2.gz NXZIQSAQFPOIJK-NWDGAFQWSA-N 1 3 273.808 1.303 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000876734043 749526498 /nfs/dbraw/zinc/52/64/98/749526498.db2.gz NXZIQSAQFPOIJK-NWDGAFQWSA-N 1 3 273.808 1.303 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000876742923 749666531 /nfs/dbraw/zinc/66/65/31/749666531.db2.gz UWWASJPFNRTACI-CYBMUJFWSA-N 1 3 287.835 1.837 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000876733175 749884383 /nfs/dbraw/zinc/88/43/83/749884383.db2.gz QTYSUGFJLCMAQG-KBPBESRZSA-N 1 3 299.846 1.933 10 30 CDEEHO C=CCC[C@H](O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329792 749889622 /nfs/dbraw/zinc/88/96/22/749889622.db2.gz OYCOFEUHNBORRN-KKUMJFAQSA-N 1 3 252.402 1.778 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000877121600 749895239 /nfs/dbraw/zinc/89/52/39/749895239.db2.gz WVOWTVKEEOEOHH-NSHDSACASA-N 1 3 295.770 1.341 10 30 CDEEHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925654679 750156474 /nfs/dbraw/zinc/15/64/74/750156474.db2.gz HIRNSALCEFOCDF-IHRRRGAJSA-N 1 3 250.386 1.842 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000877194457 750320359 /nfs/dbraw/zinc/32/03/59/750320359.db2.gz NFBAONNKSGWKKT-LBPRGKRZSA-N 1 3 287.835 1.789 10 30 CDEEHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000870994195 750452143 /nfs/dbraw/zinc/45/21/43/750452143.db2.gz OTYCFVHPKBPRCU-SWLSCSKDSA-N 1 3 280.416 1.231 10 30 CDEEHO C#C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000877635892 750899995 /nfs/dbraw/zinc/89/99/95/750899995.db2.gz HHPCUFWTUAYRGK-SNPRPXQTSA-N 1 3 250.386 1.487 10 30 CDEEHO C#C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000877635892 750899996 /nfs/dbraw/zinc/89/99/96/750899996.db2.gz HHPCUFWTUAYRGK-SNPRPXQTSA-N 1 3 250.386 1.487 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000876766944 751244885 /nfs/dbraw/zinc/24/48/85/751244885.db2.gz WUVPDGRTTKZTEV-NWDGAFQWSA-N 1 3 273.808 1.447 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@H]([NH3+])CC(=C)Cl)CC1 ZINC000876754081 751318901 /nfs/dbraw/zinc/31/89/01/751318901.db2.gz BIJDIKTYZOPIEF-GFCCVEGCSA-N 1 3 271.792 1.223 10 30 CDEEHO C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000708855977 752717000 /nfs/dbraw/zinc/71/70/00/752717000.db2.gz WQMUBSCEMZBVSP-BYCMXARLSA-N 1 3 259.353 1.118 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877409714 753291463 /nfs/dbraw/zinc/29/14/63/753291463.db2.gz YUPLEBZAAJVPIE-CHWSQXEVSA-N 1 3 299.846 1.885 10 30 CDEEHO C=CCC[NH+]1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001566613572 1168355759 /nfs/dbraw/zinc/35/57/59/1168355759.db2.gz IQPOWDNVOULBGL-OAHLLOKOSA-N 1 3 281.444 1.826 10 30 CDEEHO C#CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCCN1CC ZINC001567354189 1168698681 /nfs/dbraw/zinc/69/86/81/1168698681.db2.gz UGVVLFKBOWWUGY-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCC[N@H+](CC)CCNC(=O)[C@H]1CCCCN1CC ZINC001567354189 1168698682 /nfs/dbraw/zinc/69/86/82/1168698682.db2.gz UGVVLFKBOWWUGY-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCCN1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266359457 894557907 /nfs/dbraw/zinc/55/79/07/894557907.db2.gz VXTIEGAABFFVGL-INIZCTEOSA-N 1 3 291.439 1.466 10 30 CDEEHO C=CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001266362671 894570500 /nfs/dbraw/zinc/57/05/00/894570500.db2.gz PMOLVJPAUPPMIO-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCCC[N@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001266362671 894570506 /nfs/dbraw/zinc/57/05/06/894570506.db2.gz PMOLVJPAUPPMIO-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001266430709 894838581 /nfs/dbraw/zinc/83/85/81/894838581.db2.gz ALRFUHMOWLTPMU-HNNXBMFYSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001567549623 1168846171 /nfs/dbraw/zinc/84/61/71/1168846171.db2.gz PIYRFIIPAPWBFF-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001567549623 1168846183 /nfs/dbraw/zinc/84/61/83/1168846183.db2.gz PIYRFIIPAPWBFF-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267456118 897931882 /nfs/dbraw/zinc/93/18/82/897931882.db2.gz LZXHBETXVJYUBR-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001481239636 899572742 /nfs/dbraw/zinc/57/27/42/899572742.db2.gz VDDHJVOTZRWUPX-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001567701182 1168925143 /nfs/dbraw/zinc/92/51/43/1168925143.db2.gz DNZSKFIYDFHNMO-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001567701182 1168925155 /nfs/dbraw/zinc/92/51/55/1168925155.db2.gz DNZSKFIYDFHNMO-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001268087049 901165854 /nfs/dbraw/zinc/16/58/54/901165854.db2.gz OHUJVPYGXIQIQX-CVEARBPZSA-N 1 3 293.455 1.709 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001268440129 902061095 /nfs/dbraw/zinc/06/10/95/902061095.db2.gz WWDYVWGYMXYLAK-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001268688998 902968603 /nfs/dbraw/zinc/96/86/03/902968603.db2.gz PODKRANLQMXVDM-ZDUSSCGKSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1CC ZINC001269182624 903511614 /nfs/dbraw/zinc/51/16/14/903511614.db2.gz PMRFKLZTSVIAGK-ZFWWWQNUSA-N 1 3 288.395 1.192 10 30 CDEEHO C#CCCN1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567830580 1169002679 /nfs/dbraw/zinc/00/26/79/1169002679.db2.gz UBHMXBBQEVSWFX-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001270293461 904511333 /nfs/dbraw/zinc/51/13/33/904511333.db2.gz RERBTMFHCFGGDC-ZIAGYGMSSA-N 1 3 267.417 1.339 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001271666790 906579073 /nfs/dbraw/zinc/57/90/73/906579073.db2.gz SYBSCYHSXQEQCB-KBPBESRZSA-N 1 3 290.411 1.745 10 30 CDEEHO C#CCC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001505833990 908308473 /nfs/dbraw/zinc/30/84/73/908308473.db2.gz YDMVJMDCZAOTEH-HNNXBMFYSA-N 1 3 293.455 1.426 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001272178738 908680421 /nfs/dbraw/zinc/68/04/21/908680421.db2.gz PRFDZMCZAGXBSX-UHFFFAOYSA-N 1 3 279.428 1.276 10 30 CDEEHO C=CCCC[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001483167264 909905623 /nfs/dbraw/zinc/90/56/23/909905623.db2.gz XSRKHKVGTCWXKZ-UONOGXRCSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CCC[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001273018760 921568033 /nfs/dbraw/zinc/56/80/33/921568033.db2.gz OIGQNRYJNHXZOG-AWEZNQCLSA-N 1 3 281.444 1.472 10 30 CDEEHO C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001484511993 915835058 /nfs/dbraw/zinc/83/50/58/915835058.db2.gz NMEKKJSRJXBKSQ-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCC1 ZINC001484663445 916011974 /nfs/dbraw/zinc/01/19/74/916011974.db2.gz UOBVOEHAHCVKSZ-GASCZTMLSA-N 1 3 291.439 1.511 10 30 CDEEHO C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001277385506 942467738 /nfs/dbraw/zinc/46/77/38/942467738.db2.gz PUFWWPHIQKAJQV-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001277385506 942467740 /nfs/dbraw/zinc/46/77/40/942467740.db2.gz PUFWWPHIQKAJQV-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001281663257 942605106 /nfs/dbraw/zinc/60/51/06/942605106.db2.gz BRMYCSIZJHKYMR-KGLIPLIRSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001281663257 942605108 /nfs/dbraw/zinc/60/51/08/942605108.db2.gz BRMYCSIZJHKYMR-KGLIPLIRSA-N 1 3 279.428 1.626 10 30 CDEEHO C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001281751139 942616166 /nfs/dbraw/zinc/61/61/66/942616166.db2.gz KKQXAMZJCYAFTI-LSDHHAIUSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001281956967 942637783 /nfs/dbraw/zinc/63/77/83/942637783.db2.gz NRDZHRDMMREPNQ-GJZGRUSLSA-N 1 3 279.428 1.437 10 30 CDEEHO 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C=CCC[C@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001560831940 961015069 /nfs/dbraw/zinc/01/50/69/961015069.db2.gz WTCBETHRAAHSFI-AQFXKWCLSA-N 1 3 296.455 1.937 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001340982979 963221548 /nfs/dbraw/zinc/22/15/48/963221548.db2.gz IXTNAUQHSVHHKH-ZBFHGGJFSA-N 1 3 279.428 1.662 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001344081524 964228362 /nfs/dbraw/zinc/22/83/62/964228362.db2.gz MAQVFTMIUYQPTM-LSDHHAIUSA-N 1 3 297.443 1.239 10 30 CDEEHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC001349821922 966485835 /nfs/dbraw/zinc/48/58/35/966485835.db2.gz BLRHIFVXQWIPIM-ZIAGYGMSSA-N 1 3 280.416 1.246 10 30 CDEEHO CC[N@H+]1CCC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC001349821922 966485841 /nfs/dbraw/zinc/48/58/41/966485841.db2.gz BLRHIFVXQWIPIM-ZIAGYGMSSA-N 1 3 280.416 1.246 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001480516870 968058844 /nfs/dbraw/zinc/05/88/44/968058844.db2.gz 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C=C(C)C[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001663593061 1172732949 /nfs/dbraw/zinc/73/29/49/1172732949.db2.gz QTOWJPRWOIWIPR-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001663593061 1172732956 /nfs/dbraw/zinc/73/29/56/1172732956.db2.gz QTOWJPRWOIWIPR-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[C@]1(C(=O)NCCN2CC[C@H](C)C2)CCC[NH2+]1 ZINC000662746677 413421040 /nfs/dbraw/zinc/42/10/40/413421040.db2.gz QQWGKVWRMUWAHT-DZGCQCFKSA-N 1 3 265.401 1.143 10 30 CDEEHO C=CCNC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295148 414619728 /nfs/dbraw/zinc/61/97/28/414619728.db2.gz FNZCCYVERMHKRT-ZFWWWQNUSA-N 1 3 279.428 1.389 10 30 CDEEHO CC[NH+]=C(NC1CCC1)N(C)C[C@H]1CCCN1CC ZINC000262816028 330033725 /nfs/dbraw/zinc/03/37/25/330033725.db2.gz WQWOPLOAQYDNOZ-CQSZACIVSA-N 1 3 266.433 1.921 10 30 CDEEHO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CCC)N(C)C)CC1 ZINC000153116091 334558370 /nfs/dbraw/zinc/55/83/70/334558370.db2.gz JRPJIQCDVJAGEU-OAHLLOKOSA-N 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DTQCKGNJRPSUCW-IAGOWNOFSA-N 1 3 285.391 1.723 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001268716953 1160008292 /nfs/dbraw/zinc/00/82/92/1160008292.db2.gz OJYREOFSOKTBGD-KBPBESRZSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001483355511 1160911624 /nfs/dbraw/zinc/91/16/24/1160911624.db2.gz DHKFSVFZLAJIBR-CYBMUJFWSA-N 1 3 265.401 1.237 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566910509 1168462823 /nfs/dbraw/zinc/46/28/23/1168462823.db2.gz UUJWLSGOOXETQI-GJZGRUSLSA-N 1 3 279.428 1.034 10 30 CDEEHO C=C(C)CC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CC1 ZINC001569402934 1169859925 /nfs/dbraw/zinc/85/99/25/1169859925.db2.gz BELWWPQBCNWYNL-UHFFFAOYSA-N 1 3 279.428 1.675 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001690092941 1175373474 /nfs/dbraw/zinc/37/34/74/1175373474.db2.gz CNQLIBBFBXMFJR-UONOGXRCSA-N 1 3 285.407 1.433 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001690092941 1175373477 /nfs/dbraw/zinc/37/34/77/1175373477.db2.gz CNQLIBBFBXMFJR-UONOGXRCSA-N 1 3 285.407 1.433 10 30 CDEEHO C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001700285790 1176832555 /nfs/dbraw/zinc/83/25/55/1176832555.db2.gz FQKMIUOTZYGMEA-CQSZACIVSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713541929 1178635175 /nfs/dbraw/zinc/63/51/75/1178635175.db2.gz PGHQVPKHHGJBCE-MRXNPFEDSA-N 1 3 291.439 1.324 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001714614131 1179269763 /nfs/dbraw/zinc/26/97/63/1179269763.db2.gz IPCIIPSQLISWBF-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714614131 1179269771 /nfs/dbraw/zinc/26/97/71/1179269771.db2.gz IPCIIPSQLISWBF-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001715576998 1179722975 /nfs/dbraw/zinc/72/29/75/1179722975.db2.gz NOKCYNUKRNKUDS-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001715878579 1179892751 /nfs/dbraw/zinc/89/27/51/1179892751.db2.gz PRVKUNCNKFKVLY-XHPSBEMXSA-N 1 3 277.412 1.145 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001715878579 1179892764 /nfs/dbraw/zinc/89/27/64/1179892764.db2.gz PRVKUNCNKFKVLY-XHPSBEMXSA-N 1 3 277.412 1.145 10 30 CDEEHO CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001716875448 1180450630 /nfs/dbraw/zinc/45/06/30/1180450630.db2.gz RACZHIDQTVVDCK-HOCLYGCPSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001717652174 1180776427 /nfs/dbraw/zinc/77/64/27/1180776427.db2.gz HAVCJNJGOGRPGE-VGWMRTNUSA-N 1 3 293.455 1.920 10 30 CDEEHO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001717745145 1180823214 /nfs/dbraw/zinc/82/32/14/1180823214.db2.gz PRRLZYFARLPECK-HUUCEWRRSA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001723297722 1181533701 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C#CCC[NH2+]C[C@H](NC(=O)CN(C)CCC)C(C)(C)C ZINC001734575598 1183831690 /nfs/dbraw/zinc/83/16/90/1183831690.db2.gz SBEVPNDBSRECIN-AWEZNQCLSA-N 1 3 281.444 1.472 10 30 CDEEHO C=C(C)CNC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000849275877 754601763 /nfs/dbraw/zinc/60/17/63/754601763.db2.gz YILLBYFTZUWCAC-ZDUSSCGKSA-N 1 3 286.489 1.299 10 30 CDEEHO C=C(C)CNC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000849275877 754601769 /nfs/dbraw/zinc/60/17/69/754601769.db2.gz YILLBYFTZUWCAC-ZDUSSCGKSA-N 1 3 286.489 1.299 10 30 CDEEHO N#CCc1cccc2c1CCN(C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923412563 754172746 /nfs/dbraw/zinc/17/27/46/754172746.db2.gz ZWDKBQXEKWIZNQ-MRXNPFEDSA-N 1 3 297.402 1.489 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000876867807 754930139 /nfs/dbraw/zinc/93/01/39/754930139.db2.gz MQHFYUOTVFDGSR-GHMZBOCLSA-N 1 3 259.781 1.105 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000876764173 754992159 /nfs/dbraw/zinc/99/21/59/754992159.db2.gz KOPYLUSETVTCLZ-MXWKQRLJSA-N 1 3 259.781 1.055 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000876764173 754992163 /nfs/dbraw/zinc/99/21/63/754992163.db2.gz KOPYLUSETVTCLZ-MXWKQRLJSA-N 1 3 259.781 1.055 10 30 CDEEHO CCN1CCN([C@H](C)C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921530768 755845944 /nfs/dbraw/zinc/84/59/44/755845944.db2.gz VBOATSIXWGMEOC-CYBMUJFWSA-N 1 3 292.452 1.735 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000876940003 756860224 /nfs/dbraw/zinc/86/02/24/756860224.db2.gz OAZVGSQXGJRRON-QWRGUYRKSA-N 1 3 271.792 1.247 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000876734044 757463632 /nfs/dbraw/zinc/46/36/32/757463632.db2.gz NXZIQSAQFPOIJK-RYUDHWBXSA-N 1 3 273.808 1.303 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000876734044 757463639 /nfs/dbraw/zinc/46/36/39/757463639.db2.gz NXZIQSAQFPOIJK-RYUDHWBXSA-N 1 3 273.808 1.303 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000876884969 758447648 /nfs/dbraw/zinc/44/76/48/758447648.db2.gz IIFOCPKWGAMOIV-AVGNSLFASA-N 1 3 285.819 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000876884969 758447659 /nfs/dbraw/zinc/44/76/59/758447659.db2.gz IIFOCPKWGAMOIV-AVGNSLFASA-N 1 3 285.819 1.399 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566895955 1168459024 /nfs/dbraw/zinc/45/90/24/1168459024.db2.gz STBSXIOSLHZQAS-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CC(C)C)CC1 ZINC001567082622 1168553002 /nfs/dbraw/zinc/55/30/02/1168553002.db2.gz SEPNAQMKGCLXLT-CQSZACIVSA-N 1 3 279.428 1.082 10 30 CDEEHO C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001266321905 894379661 /nfs/dbraw/zinc/37/96/61/894379661.db2.gz YXUKXIPPFYMPRE-CYBMUJFWSA-N 1 3 255.406 1.197 10 30 CDEEHO C=C(C)C[N@H+](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001266321905 894379673 /nfs/dbraw/zinc/37/96/73/894379673.db2.gz YXUKXIPPFYMPRE-CYBMUJFWSA-N 1 3 255.406 1.197 10 30 CDEEHO C=C(C)C[N@@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001266362907 894574272 /nfs/dbraw/zinc/57/42/72/894574272.db2.gz ZNGVKZVVVUCGAY-UHFFFAOYSA-N 1 3 289.423 1.986 10 30 CDEEHO C=C(C)C[N@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001266362907 894574288 /nfs/dbraw/zinc/57/42/88/894574288.db2.gz ZNGVKZVVVUCGAY-UHFFFAOYSA-N 1 3 289.423 1.986 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001266562586 895375955 /nfs/dbraw/zinc/37/59/55/895375955.db2.gz HKADQLQZEZCHER-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001266562586 895375970 /nfs/dbraw/zinc/37/59/70/895375970.db2.gz HKADQLQZEZCHER-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267578969 898510758 /nfs/dbraw/zinc/51/07/58/898510758.db2.gz ASUQCLUTIUBGFV-UONOGXRCSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267578969 898510765 /nfs/dbraw/zinc/51/07/65/898510765.db2.gz ASUQCLUTIUBGFV-UONOGXRCSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268254875 901679005 /nfs/dbraw/zinc/67/90/05/901679005.db2.gz FZTCIYCBMSXVOD-ZDUSSCGKSA-N 1 3 255.406 1.149 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CC(C)C)CC1 ZINC001268426047 902042475 /nfs/dbraw/zinc/04/24/75/902042475.db2.gz IYYDIQUBCOLILA-OAHLLOKOSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001269331085 903699963 /nfs/dbraw/zinc/69/99/63/903699963.db2.gz HXWBHVZVMNIMJH-CQSZACIVSA-N 1 3 277.412 1.239 10 30 CDEEHO CC#CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001272227909 909313286 /nfs/dbraw/zinc/31/32/86/909313286.db2.gz XBEDDRCSHFIVTI-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001272227909 909313303 /nfs/dbraw/zinc/31/33/03/909313303.db2.gz XBEDDRCSHFIVTI-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001483412640 911079637 /nfs/dbraw/zinc/07/96/37/911079637.db2.gz YXKYJYXPQBNLPH-LBPRGKRZSA-N 1 3 278.400 1.663 10 30 CDEEHO C=CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001483412640 911079657 /nfs/dbraw/zinc/07/96/57/911079657.db2.gz YXKYJYXPQBNLPH-LBPRGKRZSA-N 1 3 278.400 1.663 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001568205550 1169176971 /nfs/dbraw/zinc/17/69/71/1169176971.db2.gz OUQJEQWFQRQZMF-NSHDSACASA-N 1 3 264.373 1.179 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001493240195 936621339 /nfs/dbraw/zinc/62/13/39/936621339.db2.gz PDIVGLAYHMJAHH-LSDHHAIUSA-N 1 3 279.428 1.342 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001493240195 936621341 /nfs/dbraw/zinc/62/13/41/936621341.db2.gz PDIVGLAYHMJAHH-LSDHHAIUSA-N 1 3 279.428 1.342 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001486398716 920963355 /nfs/dbraw/zinc/96/33/55/920963355.db2.gz LTNFTLLPGXWXBK-ZDUSSCGKSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001491271591 936888507 /nfs/dbraw/zinc/88/85/07/936888507.db2.gz PALGPVWYVUABIH-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CCO1 ZINC001273277076 925740710 /nfs/dbraw/zinc/74/07/10/925740710.db2.gz PVSFOPDEYSAUEB-HUUCEWRRSA-N 1 3 297.443 1.110 10 30 CDEEHO C=C(C)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001490695475 927305968 /nfs/dbraw/zinc/30/59/68/927305968.db2.gz WYPVDFCHZOXFMN-OAHLLOKOSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001275659545 931938450 /nfs/dbraw/zinc/93/84/50/931938450.db2.gz XTRQUQIKPPPPCX-OLZOCXBDSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001275659545 931938455 /nfs/dbraw/zinc/93/84/55/931938455.db2.gz XTRQUQIKPPPPCX-OLZOCXBDSA-N 1 3 255.406 1.339 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001281458368 942579271 /nfs/dbraw/zinc/57/92/71/942579271.db2.gz OQSMOIRHGZPLIH-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001281530227 942589942 /nfs/dbraw/zinc/58/99/42/942589942.db2.gz IPBIDOZFQHOVDP-UHFFFAOYSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001282928929 942780759 /nfs/dbraw/zinc/78/07/59/942780759.db2.gz MVKYRZNIDDODBW-CABCVRRESA-N 1 3 297.443 1.108 10 30 CDEEHO CC#CCN1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001284070970 943069681 /nfs/dbraw/zinc/06/96/81/943069681.db2.gz VTKASSJWSVPCOR-GDBMZVCRSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCCN1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001263815455 943984932 /nfs/dbraw/zinc/98/49/32/943984932.db2.gz YRCRKVGNXUMVMV-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001265684323 944468611 /nfs/dbraw/zinc/46/86/11/944468611.db2.gz TUDHFERKSLFNOT-CQSZACIVSA-N 1 3 276.384 1.499 10 30 CDEEHO C=C(C)CN(C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001278918792 948226085 /nfs/dbraw/zinc/22/60/85/948226085.db2.gz WDJWBBSMWNFFPM-UHFFFAOYSA-N 1 3 269.433 1.683 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001279039695 948633429 /nfs/dbraw/zinc/63/34/29/948633429.db2.gz YCFZHTOEKGZCAG-KGLIPLIRSA-N 1 3 267.417 1.341 10 30 CDEEHO C#CC[NH+]1CCC(C)(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001324868118 953613925 /nfs/dbraw/zinc/61/39/25/953613925.db2.gz JMFXLIOIVRYPQC-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001326398346 954361706 /nfs/dbraw/zinc/36/17/06/954361706.db2.gz PVEOYQHMLAYKRN-INIZCTEOSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001297373684 955017240 /nfs/dbraw/zinc/01/72/40/955017240.db2.gz ZJNQPZMWRAAWNZ-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001297373684 955017248 /nfs/dbraw/zinc/01/72/48/955017248.db2.gz ZJNQPZMWRAAWNZ-HNNXBMFYSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCN1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001329935368 956188429 /nfs/dbraw/zinc/18/84/29/956188429.db2.gz AIZLBZZNVYZVOH-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001316736703 956256780 /nfs/dbraw/zinc/25/67/80/956256780.db2.gz OXLDDAMNNFTSKY-UONOGXRCSA-N 1 3 279.428 1.483 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001330708399 956580871 /nfs/dbraw/zinc/58/08/71/956580871.db2.gz LOTTYIBCCZQNKY-HDJSIYSDSA-N 1 3 267.417 1.387 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317069590 957243374 /nfs/dbraw/zinc/24/33/74/957243374.db2.gz ROZMIYBFNRSJNX-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001332997153 958003661 /nfs/dbraw/zinc/00/36/61/958003661.db2.gz HCEUQAQRPTYYCC-GJZGRUSLSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCO[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC001321239454 959670106 /nfs/dbraw/zinc/67/01/06/959670106.db2.gz LXIINVWUYQWYHK-QGZVFWFLSA-N 1 3 295.471 1.679 10 30 CDEEHO C=CCO[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC001321239454 959670114 /nfs/dbraw/zinc/67/01/14/959670114.db2.gz LXIINVWUYQWYHK-QGZVFWFLSA-N 1 3 295.471 1.679 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1CC ZINC001569342669 1169773162 /nfs/dbraw/zinc/77/31/62/1169773162.db2.gz JRHZHFGNLNXVPB-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001495470127 972512343 /nfs/dbraw/zinc/51/23/43/972512343.db2.gz KOBBZJLZHRSQPB-BZUAXINKSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[NH+]1CCC(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001495519594 972526795 /nfs/dbraw/zinc/52/67/95/972526795.db2.gz DZYLKWZTVRFFAB-UHFFFAOYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001569565913 1169926330 /nfs/dbraw/zinc/92/63/30/1169926330.db2.gz HCCJBKOKYUYFME-HUUCEWRRSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001496603483 972984522 /nfs/dbraw/zinc/98/45/22/972984522.db2.gz SGORHQJWTSABSQ-UONOGXRCSA-N 1 3 267.417 1.245 10 30 CDEEHO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001569671357 1169963432 /nfs/dbraw/zinc/96/34/32/1169963432.db2.gz LFAZSSHINUHHDV-OAHLLOKOSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[NH2+]CC1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001505532958 974902235 /nfs/dbraw/zinc/90/22/35/974902235.db2.gz YOZFNONTUAYABV-UHFFFAOYSA-N 1 3 276.384 1.321 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001507029668 975299914 /nfs/dbraw/zinc/29/99/14/975299914.db2.gz XNTRRQRFKNUIJU-ZBFHGGJFSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C ZINC001508039974 975585393 /nfs/dbraw/zinc/58/53/93/975585393.db2.gz VHBBPSVZSFZHAT-KBPBESRZSA-N 1 3 283.460 1.879 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001674154539 1173920890 /nfs/dbraw/zinc/92/08/90/1173920890.db2.gz LZQYKLIVEUKVBK-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001674154539 1173920895 /nfs/dbraw/zinc/92/08/95/1173920895.db2.gz LZQYKLIVEUKVBK-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001674551520 1173960930 /nfs/dbraw/zinc/96/09/30/1173960930.db2.gz ROYYGNREKNVOMR-UHFFFAOYSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570530695 1170181415 /nfs/dbraw/zinc/18/14/15/1170181415.db2.gz PDFUGBIMQARPIX-QLFBSQMISA-N 1 3 279.428 1.435 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001570530695 1170181416 /nfs/dbraw/zinc/18/14/16/1170181416.db2.gz PDFUGBIMQARPIX-QLFBSQMISA-N 1 3 279.428 1.435 10 30 CDEEHO COC[C@@H](CCC[NH3+])N[C@H](C)c1cccc(C#N)c1 ZINC000591570965 342637405 /nfs/dbraw/zinc/63/74/05/342637405.db2.gz LPTCLXNJLAXKQR-IUODEOHRSA-N 1 3 261.369 1.963 10 30 CDEEHO COc1ccc(C[N@H+](C)C[C@H]2CCN(C)C2)cc1C#N ZINC000087833398 361863540 /nfs/dbraw/zinc/86/35/40/361863540.db2.gz NKXLEUYXENWBTJ-AWEZNQCLSA-N 1 3 273.380 1.950 10 30 CDEEHO COc1ccc(C[N@@H+](C)C[C@H]2CCN(C)C2)cc1C#N ZINC000087833398 361863544 /nfs/dbraw/zinc/86/35/44/361863544.db2.gz NKXLEUYXENWBTJ-AWEZNQCLSA-N 1 3 273.380 1.950 10 30 CDEEHO C=CC[C@@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000625700773 342194088 /nfs/dbraw/zinc/19/40/88/342194088.db2.gz LRYVDYBSYNNZKE-CQSZACIVSA-N 1 3 291.439 1.627 10 30 CDEEHO C=CC[C@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000625700772 342194125 /nfs/dbraw/zinc/19/41/25/342194125.db2.gz LRYVDYBSYNNZKE-AWEZNQCLSA-N 1 3 291.439 1.627 10 30 CDEEHO CC[NH2+]CC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594426913 342897048 /nfs/dbraw/zinc/89/70/48/342897048.db2.gz RWNOVAZBGFLWMC-CQSZACIVSA-N 1 3 280.416 1.246 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000594449024 342909248 /nfs/dbraw/zinc/90/92/48/342909248.db2.gz CBVOMYZWGYJCOJ-ZIAGYGMSSA-N 1 3 286.379 1.314 10 30 CDEEHO C=CCC[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001662219586 1172508810 /nfs/dbraw/zinc/50/88/10/1172508810.db2.gz KOIBOACKYOTPSA-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO CC1(C)OCC[C@H]1NCC#CC[NH2+][C@H]1CCOC1(C)C ZINC000451241012 391646296 /nfs/dbraw/zinc/64/62/96/391646296.db2.gz JJZQBKNZIPFAKX-OKILXGFUSA-N 1 3 280.412 1.304 10 30 CDEEHO CC1(C)OCC[C@H]1[NH2+]CC#CCN[C@H]1CCOC1(C)C ZINC000451241012 391646297 /nfs/dbraw/zinc/64/62/97/391646297.db2.gz JJZQBKNZIPFAKX-OKILXGFUSA-N 1 3 280.412 1.304 10 30 CDEEHO C=CC[C@@]1(C(=O)N(CCC)CCN(C)C)CCC[NH2+]1 ZINC000662823646 413549735 /nfs/dbraw/zinc/54/97/35/413549735.db2.gz RWYSJUHDJFVJAA-HNNXBMFYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCC[NH2+]1 ZINC000662835635 413569882 /nfs/dbraw/zinc/56/98/82/413569882.db2.gz QPDQCJPXFXHTHP-YQQAZPJKSA-N 1 3 291.439 1.818 10 30 CDEEHO C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C#CCN)C1 ZINC000044560314 175204409 /nfs/dbraw/zinc/20/44/09/175204409.db2.gz VPDNOELEDHJQEM-CQSZACIVSA-N 1 3 285.391 1.068 10 30 CDEEHO C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C#CCN)C1 ZINC000044560314 175204410 /nfs/dbraw/zinc/20/44/10/175204410.db2.gz VPDNOELEDHJQEM-CQSZACIVSA-N 1 3 285.391 1.068 10 30 CDEEHO CCN[C@@](C)(C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000045182205 175325446 /nfs/dbraw/zinc/32/54/46/175325446.db2.gz WSPZZFURESPQCV-OAHLLOKOSA-N 1 3 266.433 1.542 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001667584451 1173293044 /nfs/dbraw/zinc/29/30/44/1173293044.db2.gz ANSACHJHHGINTR-CVEARBPZSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001667584451 1173293049 /nfs/dbraw/zinc/29/30/49/1173293049.db2.gz ANSACHJHHGINTR-CVEARBPZSA-N 1 3 291.439 1.417 10 30 CDEEHO C=CC[NH+]1CCC2(CN(C(=O)CN(C)CCC)C2)CC1 ZINC001673021356 1173817281 /nfs/dbraw/zinc/81/72/81/1173817281.db2.gz SUNSVTMXUBIZTK-UHFFFAOYSA-N 1 3 279.428 1.439 10 30 CDEEHO CC(C)CN1CCC[C@@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262477967 330016377 /nfs/dbraw/zinc/01/63/77/330016377.db2.gz QPOOWELWYHQNTM-UONOGXRCSA-N 1 3 282.432 1.142 10 30 CDEEHO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262780147 330031087 /nfs/dbraw/zinc/03/10/87/330031087.db2.gz KSKUGINAGYTPNE-CYBMUJFWSA-N 1 3 294.443 1.083 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCC ZINC001699485079 1176441144 /nfs/dbraw/zinc/44/11/44/1176441144.db2.gz CDTABGPIIKUFNS-CABCVRRESA-N 1 3 281.444 1.779 10 30 CDEEHO C[N@H+](CCOc1ccc(C#CCN)cc1)CC1CC1 ZINC000049609428 522905211 /nfs/dbraw/zinc/90/52/11/522905211.db2.gz KXCNFQHETGCQLV-UHFFFAOYSA-N 1 3 258.365 1.717 10 30 CDEEHO C[N@@H+](CCOc1ccc(C#CCN)cc1)CC1CC1 ZINC000049609428 522905221 /nfs/dbraw/zinc/90/52/21/522905221.db2.gz KXCNFQHETGCQLV-UHFFFAOYSA-N 1 3 258.365 1.717 10 30 CDEEHO COc1ccc(CN2CCCC[C@H]2CO)cc1C#CC[NH3+] ZINC000049609784 524026697 /nfs/dbraw/zinc/02/66/97/524026697.db2.gz NXAFKHWBAGNTIH-INIZCTEOSA-N 1 3 288.391 1.352 10 30 CDEEHO C[C@@H]1CCC[N@@H+]1CCOc1ccc(C#CCN)cc1 ZINC000049608278 524260355 /nfs/dbraw/zinc/26/03/55/524260355.db2.gz GZQOLOFEVLREEC-CQSZACIVSA-N 1 3 258.365 1.860 10 30 CDEEHO C[C@@H]1CCC[N@H+]1CCOc1ccc(C#CCN)cc1 ZINC000049608278 524260361 /nfs/dbraw/zinc/26/03/61/524260361.db2.gz GZQOLOFEVLREEC-CQSZACIVSA-N 1 3 258.365 1.860 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001688946284 1175073983 /nfs/dbraw/zinc/07/39/83/1175073983.db2.gz VYJMKKMYSDDKBZ-JYJNAYRXSA-N 1 3 293.455 1.779 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001689337989 1175148205 /nfs/dbraw/zinc/14/82/05/1175148205.db2.gz AGBNYCJHBQSPEX-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCC[C@H](O)CN1CC[NH2+]CCC12CCOCC2 ZINC000903820053 626102787 /nfs/dbraw/zinc/10/27/87/626102787.db2.gz SEEBCVHAIINJMZ-AWEZNQCLSA-N 1 3 268.401 1.158 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001691128429 1158924206 /nfs/dbraw/zinc/92/42/06/1158924206.db2.gz IFVSLGSUYBHMQJ-OKILXGFUSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001271119646 1160246481 /nfs/dbraw/zinc/24/64/81/1160246481.db2.gz CTLYYYDWJGCKMS-OLZOCXBDSA-N 1 3 278.400 1.743 10 30 CDEEHO C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001568206309 1169178504 /nfs/dbraw/zinc/17/85/04/1169178504.db2.gz UKXWIRJCQCCCIQ-QWHCGFSZSA-N 1 3 255.406 1.101 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001569305954 1169758018 /nfs/dbraw/zinc/75/80/18/1169758018.db2.gz DPPBBVNTTVKLML-HOTGVXAUSA-N 1 3 291.439 1.369 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001569567618 1169926818 /nfs/dbraw/zinc/92/68/18/1169926818.db2.gz ZOGWXAACRBBNHH-OAHLLOKOSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001650414021 1171042136 /nfs/dbraw/zinc/04/21/36/1171042136.db2.gz XKJLPNNGGJPYSK-NTZNESFSSA-N 1 3 271.792 1.186 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662686019 1172580948 /nfs/dbraw/zinc/58/09/48/1172580948.db2.gz UWNBAZGSCSNFPA-LSDHHAIUSA-N 1 3 279.428 1.342 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001663995260 1172799537 /nfs/dbraw/zinc/79/95/37/1172799537.db2.gz BQWXQNRISZSVDK-AWEZNQCLSA-N 1 3 269.433 1.587 10 30 CDEEHO C=C(C)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001664320556 1172840550 /nfs/dbraw/zinc/84/05/50/1172840550.db2.gz CZZSPUBTAAYUFP-CYBMUJFWSA-N 1 3 255.406 1.197 10 30 CDEEHO C=CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001665996924 1173099338 /nfs/dbraw/zinc/09/93/38/1173099338.db2.gz ZPHCSSJTERREFQ-NVXWUHKLSA-N 1 3 293.455 1.920 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001674672184 1173985742 /nfs/dbraw/zinc/98/57/42/1173985742.db2.gz DZZKUMBNUVWXLI-STQMWFEESA-N 1 3 267.417 1.530 10 30 CDEEHO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)Cc1c[nH]cn1 ZINC001698997084 1176023665 /nfs/dbraw/zinc/02/36/65/1176023665.db2.gz JLCRXVSTTJQDOI-ZDUSSCGKSA-N 1 3 278.400 1.697 10 30 CDEEHO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)Cc1c[nH]cn1 ZINC001698997084 1176023676 /nfs/dbraw/zinc/02/36/76/1176023676.db2.gz JLCRXVSTTJQDOI-ZDUSSCGKSA-N 1 3 278.400 1.697 10 30 CDEEHO C=CC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001699134031 1176108140 /nfs/dbraw/zinc/10/81/40/1176108140.db2.gz HGXYSGCPSHGASS-BBRMVZONSA-N 1 3 299.434 1.869 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001699152746 1176114226 /nfs/dbraw/zinc/11/42/26/1176114226.db2.gz BXJRHISEWXIJKS-NSHDSACASA-N 1 3 264.373 1.321 10 30 CDEEHO C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001699851432 1176655428 /nfs/dbraw/zinc/65/54/28/1176655428.db2.gz HZCIPTPHKNSHOI-QGZVFWFLSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001700290787 1176835920 /nfs/dbraw/zinc/83/59/20/1176835920.db2.gz DJQIEDJAAMXSJK-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001700290787 1176835927 /nfs/dbraw/zinc/83/59/27/1176835927.db2.gz DJQIEDJAAMXSJK-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CCC[N@H+](CC)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001713025021 1178312350 /nfs/dbraw/zinc/31/23/50/1178312350.db2.gz PWNNARQKHCLBIZ-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCC[N@@H+](CC)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001713025021 1178312355 /nfs/dbraw/zinc/31/23/55/1178312355.db2.gz PWNNARQKHCLBIZ-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001713131912 1178387757 /nfs/dbraw/zinc/38/77/57/1178387757.db2.gz OLQMSNDHRLVSNJ-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001713131912 1178387764 /nfs/dbraw/zinc/38/77/64/1178387764.db2.gz OLQMSNDHRLVSNJ-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001713383586 1178528926 /nfs/dbraw/zinc/52/89/26/1178528926.db2.gz ZRBXDOGNRVGNQY-ZIAGYGMSSA-N 1 3 288.395 1.301 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001714080124 1178964322 /nfs/dbraw/zinc/96/43/22/1178964322.db2.gz SVACSBPGPKURCS-HOTGVXAUSA-N 1 3 293.455 1.733 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001715358750 1179642129 /nfs/dbraw/zinc/64/21/29/1179642129.db2.gz GWNJCUJHOPRLHA-CQSZACIVSA-N 1 3 281.444 1.424 10 30 CDEEHO C=C(C)C[NH2+]C/C=C/CNC(=O)CN(C)C1CCC1 ZINC001715825690 1179850215 /nfs/dbraw/zinc/85/02/15/1179850215.db2.gz KNDHTBYFIDLGTD-SNAWJCMRSA-N 1 3 265.401 1.309 10 30 CDEEHO C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001716466170 1180225625 /nfs/dbraw/zinc/22/56/25/1180225625.db2.gz VKLKMXXNAPUHOL-QWHCGFSZSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001716668124 1180352928 /nfs/dbraw/zinc/35/29/28/1180352928.db2.gz OAYGPPRWPROOKJ-LSDHHAIUSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716668124 1180352936 /nfs/dbraw/zinc/35/29/36/1180352936.db2.gz OAYGPPRWPROOKJ-LSDHHAIUSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001716877109 1180450121 /nfs/dbraw/zinc/45/01/21/1180450121.db2.gz WRORBSWXWXUBHF-HNNXBMFYSA-N 1 3 276.384 1.357 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001717337805 1180621915 /nfs/dbraw/zinc/62/19/15/1180621915.db2.gz ZWLREJUFXARJKZ-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001717337805 1180621920 /nfs/dbraw/zinc/62/19/20/1180621920.db2.gz ZWLREJUFXARJKZ-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001717374478 1180636336 /nfs/dbraw/zinc/63/63/36/1180636336.db2.gz OSGUCTCKPFJRFK-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001717374478 1180636338 /nfs/dbraw/zinc/63/63/38/1180636338.db2.gz OSGUCTCKPFJRFK-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001717871853 1180906333 /nfs/dbraw/zinc/90/63/33/1180906333.db2.gz 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GVFSTQFSBFFLGH-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267570643 898427121 /nfs/dbraw/zinc/42/71/21/898427121.db2.gz QWWYPHHRGXUYRC-LSDHHAIUSA-N 1 3 279.428 1.034 10 30 CDEEHO C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267570643 898427132 /nfs/dbraw/zinc/42/71/32/898427132.db2.gz QWWYPHHRGXUYRC-LSDHHAIUSA-N 1 3 279.428 1.034 10 30 CDEEHO C=CCC[N@H+](CC)CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001481018826 898506331 /nfs/dbraw/zinc/50/63/31/898506331.db2.gz SHNFVPFAUUYEAM-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+](CC)CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001481018826 898506340 /nfs/dbraw/zinc/50/63/40/898506340.db2.gz SHNFVPFAUUYEAM-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[N@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001267604167 898787706 /nfs/dbraw/zinc/78/77/06/898787706.db2.gz MZKWZWFDFGYKHV-UHFFFAOYSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CC[N@@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001267604167 898787714 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C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001268662050 902916861 /nfs/dbraw/zinc/91/68/61/902916861.db2.gz VGTCEDAIZOCMCJ-ZIAGYGMSSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001269310847 903684009 /nfs/dbraw/zinc/68/40/09/903684009.db2.gz NWKVNZMVIMDTEH-OAHLLOKOSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001483347363 910946493 /nfs/dbraw/zinc/94/64/93/910946493.db2.gz JDBOSLCXBPULTA-GFCCVEGCSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[N@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001483347363 910946510 /nfs/dbraw/zinc/94/65/10/910946510.db2.gz JDBOSLCXBPULTA-GFCCVEGCSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001483443626 911126211 /nfs/dbraw/zinc/12/62/11/911126211.db2.gz MNFJTLSNGAECNR-KBPBESRZSA-N 1 3 290.411 1.711 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001484513769 915838336 /nfs/dbraw/zinc/83/83/36/915838336.db2.gz UHIPJRDIXYAYTQ-KBPBESRZSA-N 1 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/nfs/dbraw/zinc/64/58/53/920645853.db2.gz MOXVCHGZXSQLFH-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001273548011 920645860 /nfs/dbraw/zinc/64/58/60/920645860.db2.gz MOXVCHGZXSQLFH-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C#CCCN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181543 920786489 /nfs/dbraw/zinc/78/64/89/920786489.db2.gz UMOHZQSUIATOPN-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCC[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001486477627 921055805 /nfs/dbraw/zinc/05/58/05/921055805.db2.gz WBIZAKWGLCXFEM-UHFFFAOYSA-N 1 3 262.357 1.107 10 30 CDEEHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001568336199 1169253318 /nfs/dbraw/zinc/25/33/18/1169253318.db2.gz OJEXSMWQLSJDHT-LSDHHAIUSA-N 1 3 281.444 1.326 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001490948433 936834209 /nfs/dbraw/zinc/83/42/09/936834209.db2.gz OQOKKXJGBITJKH-JOCQHMNTSA-N 1 3 287.835 1.708 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001491119195 936860992 /nfs/dbraw/zinc/86/09/92/936860992.db2.gz CAJINWZOOKFVLQ-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001491251412 936884044 /nfs/dbraw/zinc/88/40/44/936884044.db2.gz PQUCVJIIKMGRGV-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001490270758 927070180 /nfs/dbraw/zinc/07/01/80/927070180.db2.gz HHPYHBCPMOUNDW-AWEZNQCLSA-N 1 3 267.417 1.034 10 30 CDEEHO C#CCC[N@H+](C)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001490270758 927070194 /nfs/dbraw/zinc/07/01/94/927070194.db2.gz HHPYHBCPMOUNDW-AWEZNQCLSA-N 1 3 267.417 1.034 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001277233846 942208166 /nfs/dbraw/zinc/20/81/66/942208166.db2.gz PFMJPALKDGQGLD-UHFFFAOYSA-N 1 3 262.357 1.075 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001281450677 942577826 /nfs/dbraw/zinc/57/78/26/942577826.db2.gz NWYGUVRBQCBWJD-JSGCOSHPSA-N 1 3 276.384 1.355 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001281722500 942612968 /nfs/dbraw/zinc/61/29/68/942612968.db2.gz XFDZHKMRIJTEKG-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001281957665 942637221 /nfs/dbraw/zinc/63/72/21/942637221.db2.gz SZDJXVVKGDOBHU-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001281957665 942637224 /nfs/dbraw/zinc/63/72/24/942637224.db2.gz SZDJXVVKGDOBHU-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001284348389 943153820 /nfs/dbraw/zinc/15/38/20/943153820.db2.gz KCWNIQAIAYZDRX-CYBMUJFWSA-N 1 3 267.417 1.339 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001265853027 944541477 /nfs/dbraw/zinc/54/14/77/944541477.db2.gz MCYQGQAHBZLJFY-QWHCGFSZSA-N 1 3 255.406 1.243 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001265909821 944569598 /nfs/dbraw/zinc/56/95/98/944569598.db2.gz GLHKFFWWXRHENY-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001265909821 944569604 /nfs/dbraw/zinc/56/96/04/944569604.db2.gz GLHKFFWWXRHENY-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)N(C)C)C1 ZINC001279315619 944794310 /nfs/dbraw/zinc/79/43/10/944794310.db2.gz NAKQCKBPNZHPMD-YMAMQOFZSA-N 1 3 281.444 1.872 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001328662744 955401476 /nfs/dbraw/zinc/40/14/76/955401476.db2.gz WSJKUOPOBIRJJP-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001317023811 957209613 /nfs/dbraw/zinc/20/96/13/957209613.db2.gz FQTIVEMKZWTXQL-HZPDHXFCSA-N 1 3 293.455 1.920 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001332330377 957519878 /nfs/dbraw/zinc/51/98/78/957519878.db2.gz TZFWTTGBIGIREL-KGLIPLIRSA-N 1 3 288.395 1.158 10 30 CDEEHO C#CC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001332997152 958004426 /nfs/dbraw/zinc/00/44/26/958004426.db2.gz HCEUQAQRPTYYCC-CABCVRRESA-N 1 3 291.439 1.178 10 30 CDEEHO C#CCCN1CC[C@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001318483871 958129156 /nfs/dbraw/zinc/12/91/56/958129156.db2.gz HEHQKTSKQKFLRX-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001320544867 959228791 /nfs/dbraw/zinc/22/87/91/959228791.db2.gz VGXZPDJVWWWBIF-CHWSQXEVSA-N 1 3 255.406 1.243 10 30 CDEEHO C#CCNC/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321063592 959569908 /nfs/dbraw/zinc/56/99/08/959569908.db2.gz HZYAGEAKPNIDLF-SREVYHEPSA-N 1 3 277.412 1.146 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001336004691 960147821 /nfs/dbraw/zinc/14/78/21/960147821.db2.gz VRKHTYOPSDYPJE-UONOGXRCSA-N 1 3 294.443 1.263 10 30 CDEEHO C=CCN1CCC(NC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001353325593 967901707 /nfs/dbraw/zinc/90/17/07/967901707.db2.gz BVGDQGHRCQQUDY-ZIAGYGMSSA-N 1 3 294.443 1.182 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001357611523 969629222 /nfs/dbraw/zinc/62/92/22/969629222.db2.gz JJMJGABIHMFBCK-QLFBSQMISA-N 1 3 279.428 1.661 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001502371644 974727401 /nfs/dbraw/zinc/72/74/01/974727401.db2.gz SNTGDYJULBLZBB-CQSZACIVSA-N 1 3 269.433 1.539 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001502371644 974727406 /nfs/dbraw/zinc/72/74/06/974727406.db2.gz SNTGDYJULBLZBB-CQSZACIVSA-N 1 3 269.433 1.539 10 30 CDEEHO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001506904574 975253422 /nfs/dbraw/zinc/25/34/22/975253422.db2.gz GXNDSTQBGDOOKA-BIQWYFBQSA-N 1 3 279.428 1.530 10 30 CDEEHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001507028623 975299413 /nfs/dbraw/zinc/29/94/13/975299413.db2.gz RUWRKNQSAMXYOU-GDBMZVCRSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001507451389 975474259 /nfs/dbraw/zinc/47/42/59/975474259.db2.gz QMGWFPILQDENLC-HUUCEWRRSA-N 1 3 295.471 1.975 10 30 CDEEHO C#CCC[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCCC1 ZINC001675213990 1174083261 /nfs/dbraw/zinc/08/32/61/1174083261.db2.gz NPQURCIYMCGPHO-UHFFFAOYSA-N 1 3 293.455 1.759 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001676679806 1174253820 /nfs/dbraw/zinc/25/38/20/1174253820.db2.gz DVYRPCHWVDYGOV-HZPDHXFCSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCN1CCC([C@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001677367885 1174354333 /nfs/dbraw/zinc/35/43/33/1174354333.db2.gz POSUTCRLFCZBBJ-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCC([C@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001677367885 1174354338 /nfs/dbraw/zinc/35/43/38/1174354338.db2.gz POSUTCRLFCZBBJ-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[NH2+][C@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001570780045 1170280113 /nfs/dbraw/zinc/28/01/13/1170280113.db2.gz YKKKDUQRRHDDAK-OAHLLOKOSA-N 1 3 290.411 1.438 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000594435507 342898993 /nfs/dbraw/zinc/89/89/93/342898993.db2.gz GNZCMQSCVPPUIC-CHWSQXEVSA-N 1 3 266.389 1.046 10 30 CDEEHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H](N)CCCCC#N ZINC000594438186 342905821 /nfs/dbraw/zinc/90/58/21/342905821.db2.gz RECYTKGXHSZRRN-MCIONIFRSA-N 1 3 280.416 1.196 10 30 CDEEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H](N)CCCCC#N ZINC000594438186 342905822 /nfs/dbraw/zinc/90/58/22/342905822.db2.gz RECYTKGXHSZRRN-MCIONIFRSA-N 1 3 280.416 1.196 10 30 CDEEHO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000594437737 342906015 /nfs/dbraw/zinc/90/60/15/342906015.db2.gz DYJQCZRBWKWSRL-CYBMUJFWSA-N 1 3 287.367 1.077 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000594443058 342907752 /nfs/dbraw/zinc/90/77/52/342907752.db2.gz ZJIRISLDUJNJPQ-AWEZNQCLSA-N 1 3 292.427 1.390 10 30 CDEEHO CCCC[NH+]1CCC(NC[C@H](O)CC2(C#N)CC2)CC1 ZINC000600723021 342244929 /nfs/dbraw/zinc/24/49/29/342244929.db2.gz UEEOIVGBAAWCFG-OAHLLOKOSA-N 1 3 279.428 1.895 10 30 CDEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCCC#N ZINC000597942751 343674340 /nfs/dbraw/zinc/67/43/40/343674340.db2.gz MYVLZMNWQNSMOY-ZDUSSCGKSA-N 1 3 268.405 1.068 10 30 CDEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCCC#N ZINC000597942751 343674342 /nfs/dbraw/zinc/67/43/42/343674342.db2.gz MYVLZMNWQNSMOY-ZDUSSCGKSA-N 1 3 268.405 1.068 10 30 CDEEHO CN1CC[C@@]2(CC[N@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000292136872 198177068 /nfs/dbraw/zinc/17/70/68/198177068.db2.gz LYVICXREXUYNCO-QGZVFWFLSA-N 1 3 285.391 1.965 10 30 CDEEHO CN1CC[C@@]2(CC[N@@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000292136872 198177070 /nfs/dbraw/zinc/17/70/70/198177070.db2.gz LYVICXREXUYNCO-QGZVFWFLSA-N 1 3 285.391 1.965 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000417545172 377932226 /nfs/dbraw/zinc/93/22/26/377932226.db2.gz XNVXGTNXYQULSE-HIFRSBDPSA-N 1 3 294.443 1.324 10 30 CDEEHO CC[NH+](CC)CC1CCN(CCOCCC#N)CC1 ZINC000338911771 391231669 /nfs/dbraw/zinc/23/16/69/391231669.db2.gz NARFHSSKAPUXNG-UHFFFAOYSA-N 1 3 267.417 1.970 10 30 CDEEHO COC1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683673 175091622 /nfs/dbraw/zinc/09/16/22/175091622.db2.gz IUADTAQPSUCNBT-UHFFFAOYSA-N 1 3 264.394 1.669 10 30 CDEEHO N#Cc1ccsc1NC(=O)CCN1CCC(C[NH3+])CC1 ZINC000044513797 175189184 /nfs/dbraw/zinc/18/91/84/175189184.db2.gz ZXMVPDOXEQRICC-UHFFFAOYSA-N 1 3 292.408 1.619 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC12CC2 ZINC000263090477 330043125 /nfs/dbraw/zinc/04/31/25/330043125.db2.gz ISMJAHUSKFYPPM-NEPJUHHUSA-N 1 3 250.390 1.175 10 30 CDEEHO C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001482889592 1160641234 /nfs/dbraw/zinc/64/12/34/1160641234.db2.gz QVAGEVUUTXQZAM-ZIAGYGMSSA-N 1 3 267.417 1.080 10 30 CDEEHO CN1CCC([N@H+](C)Cc2cccc(C#CCN)c2)CC1 ZINC000049608601 523290732 /nfs/dbraw/zinc/29/07/32/523290732.db2.gz BPQPHJKQXPDNDF-UHFFFAOYSA-N 1 3 271.408 1.523 10 30 CDEEHO CN1CCC([N@@H+](C)Cc2cccc(C#CCN)c2)CC1 ZINC000049608601 523290740 /nfs/dbraw/zinc/29/07/40/523290740.db2.gz BPQPHJKQXPDNDF-UHFFFAOYSA-N 1 3 271.408 1.523 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000334892420 526431034 /nfs/dbraw/zinc/43/10/34/526431034.db2.gz NGPDCXJSKPCSPF-DZGCQCFKSA-N 1 3 292.427 1.030 10 30 CDEEHO CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCCN1C ZINC001689159709 1175103721 /nfs/dbraw/zinc/10/37/21/1175103721.db2.gz VLDSCLVIULIDMU-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001266619778 1158700356 /nfs/dbraw/zinc/70/03/56/1158700356.db2.gz ACFCARKQTJRAGV-MGPQQGTHSA-N 1 3 265.401 1.141 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001566954079 1168478507 /nfs/dbraw/zinc/47/85/07/1168478507.db2.gz RCMZKRMNPWAUDL-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC=C)C2CC2)CC1 ZINC001567456178 1168775457 /nfs/dbraw/zinc/77/54/57/1168775457.db2.gz RLENFLUFRIIGKT-UHFFFAOYSA-N 1 3 289.423 1.098 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCCCC)CC1 ZINC001569039047 1169607039 /nfs/dbraw/zinc/60/70/39/1169607039.db2.gz UVHYWVQKNOGYKM-OAHLLOKOSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001569319999 1169762817 /nfs/dbraw/zinc/76/28/17/1169762817.db2.gz JQCIBJDBWSLHQS-CQSZACIVSA-N 1 3 279.428 1.082 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001663257725 1172662542 /nfs/dbraw/zinc/66/25/42/1172662542.db2.gz DTUXQRIKFJYGKS-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001663257725 1172662547 /nfs/dbraw/zinc/66/25/47/1172662547.db2.gz DTUXQRIKFJYGKS-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001671915969 1173722158 /nfs/dbraw/zinc/72/21/58/1173722158.db2.gz CFBCYGUMPHWQRL-DOTOQJQBSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001671915969 1173722162 /nfs/dbraw/zinc/72/21/62/1173722162.db2.gz CFBCYGUMPHWQRL-DOTOQJQBSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672805812 1173801479 /nfs/dbraw/zinc/80/14/79/1173801479.db2.gz PULGCVKYTLFMOL-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[N@H+](CC)CCCNC(=O)CN(C)CC(C)(C)C ZINC001689956243 1175321332 /nfs/dbraw/zinc/32/13/32/1175321332.db2.gz KLKICIQFLIUDJX-UHFFFAOYSA-N 1 3 295.471 1.816 10 30 CDEEHO CC#CC[N@@H+](CC)CCCNC(=O)CN(C)CC(C)(C)C ZINC001689956243 1175321337 /nfs/dbraw/zinc/32/13/37/1175321337.db2.gz KLKICIQFLIUDJX-UHFFFAOYSA-N 1 3 295.471 1.816 10 30 CDEEHO C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001690544278 1175491395 /nfs/dbraw/zinc/49/13/95/1175491395.db2.gz HGGOCLKYXBRMSH-YMAMQOFZSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001698551556 1175835077 /nfs/dbraw/zinc/83/50/77/1175835077.db2.gz DOHNTWNRXZLLOP-HUUCEWRRSA-N 1 3 299.434 1.823 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001698551556 1175835086 /nfs/dbraw/zinc/83/50/86/1175835086.db2.gz DOHNTWNRXZLLOP-HUUCEWRRSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001698620647 1175874354 /nfs/dbraw/zinc/87/43/54/1175874354.db2.gz HHTSKXLYTNACHY-LSDHHAIUSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001698759302 1175922164 /nfs/dbraw/zinc/92/21/64/1175922164.db2.gz AJZOHVGFQIFBDI-ZDUSSCGKSA-N 1 3 267.417 1.389 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001699011913 1176039288 /nfs/dbraw/zinc/03/92/88/1176039288.db2.gz ARVXFFVFTIPEAY-CABCVRRESA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCN1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001699989660 1176709244 /nfs/dbraw/zinc/70/92/44/1176709244.db2.gz LFZHBAHHQYNUJB-XHSDSOJGSA-N 1 3 291.439 1.130 10 30 CDEEHO C=CC[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001700753494 1177115441 /nfs/dbraw/zinc/11/54/41/1177115441.db2.gz WIQQLBPXINCETD-GFCCVEGCSA-N 1 3 253.390 1.093 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001700843049 1177162689 /nfs/dbraw/zinc/16/26/89/1177162689.db2.gz BNYMXEFMNFRWGV-KBPBESRZSA-N 1 3 277.412 1.073 10 30 CDEEHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001713094097 1178364653 /nfs/dbraw/zinc/36/46/53/1178364653.db2.gz CMKUBUDUJIHICB-CQSZACIVSA-N 1 3 291.439 1.627 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001715141216 1179563652 /nfs/dbraw/zinc/56/36/52/1179563652.db2.gz WMLKIBAOOJYZEC-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001715530761 1179702785 /nfs/dbraw/zinc/70/27/85/1179702785.db2.gz GWZINBFNFWHUEZ-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=C(C)CC[N@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001715530761 1179702788 /nfs/dbraw/zinc/70/27/88/1179702788.db2.gz GWZINBFNFWHUEZ-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001715555328 1179715015 /nfs/dbraw/zinc/71/50/15/1179715015.db2.gz ASYBDSAIBPCXQG-ZIAGYGMSSA-N 1 3 288.395 1.158 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716354495 1180165359 /nfs/dbraw/zinc/16/53/59/1180165359.db2.gz FNKXGEHJHJZOQC-VOTSOKGWSA-N 1 3 299.418 1.647 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCC ZINC001716519924 1180263581 /nfs/dbraw/zinc/26/35/81/1180263581.db2.gz IEFJSIUIWKWHJB-HOTGVXAUSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001716874566 1180449372 /nfs/dbraw/zinc/44/93/72/1180449372.db2.gz MEJPLCAVYJLCBR-NVXWUHKLSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](CC)N(C)C ZINC001717208535 1180575215 /nfs/dbraw/zinc/57/52/15/1180575215.db2.gz GOCIJNPGGIBSKZ-CQSZACIVSA-N 1 3 267.417 1.130 10 30 CDEEHO CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H](CC)N(C)C ZINC001717208535 1180575218 /nfs/dbraw/zinc/57/52/18/1180575218.db2.gz GOCIJNPGGIBSKZ-CQSZACIVSA-N 1 3 267.417 1.130 10 30 CDEEHO C=CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001722992192 1181506822 /nfs/dbraw/zinc/50/68/22/1181506822.db2.gz UDUHPJOATWQNNF-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001724939976 1181801387 /nfs/dbraw/zinc/80/13/87/1181801387.db2.gz CWAUBCOCCLEVJE-UONOGXRCSA-N 1 3 281.444 1.587 10 30 CDEEHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001725184339 1181912314 /nfs/dbraw/zinc/91/23/14/1181912314.db2.gz YEAAZJLQMHJSTF-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001725184339 1181912309 /nfs/dbraw/zinc/91/23/09/1181912309.db2.gz YEAAZJLQMHJSTF-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001725630472 1182077906 /nfs/dbraw/zinc/07/79/06/1182077906.db2.gz FXHKQMBXRABCDN-CABCVRRESA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)Cc1c[nH]cn1 ZINC001731958030 1182700825 /nfs/dbraw/zinc/70/08/25/1182700825.db2.gz YEMLMPTYRVYORN-GFCCVEGCSA-N 1 3 264.373 1.355 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001732515909 1182994704 /nfs/dbraw/zinc/99/47/04/1182994704.db2.gz HIPXSJRNZHNPGF-INIZCTEOSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001733770103 1183527877 /nfs/dbraw/zinc/52/78/77/1183527877.db2.gz GOUMCHOVMUCCLC-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001733770103 1183527882 /nfs/dbraw/zinc/52/78/82/1183527882.db2.gz GOUMCHOVMUCCLC-MRXNPFEDSA-N 1 3 293.455 1.664 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877572 1183557255 /nfs/dbraw/zinc/55/72/55/1183557255.db2.gz ZQNJCGQMXWYAFQ-ZDUSSCGKSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001733930935 1183571439 /nfs/dbraw/zinc/57/14/39/1183571439.db2.gz ZULNISCQQPOJSI-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001733930935 1183571440 /nfs/dbraw/zinc/57/14/40/1183571440.db2.gz ZULNISCQQPOJSI-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001733938116 1183574829 /nfs/dbraw/zinc/57/48/29/1183574829.db2.gz NUKHVKCDGFVVSF-GJZGRUSLSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001733938116 1183574830 /nfs/dbraw/zinc/57/48/30/1183574830.db2.gz NUKHVKCDGFVVSF-GJZGRUSLSA-N 1 3 279.428 1.437 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001733942984 1183577213 /nfs/dbraw/zinc/57/72/13/1183577213.db2.gz FMZRNEAKQKWVJN-OAHLLOKOSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001733942984 1183577218 /nfs/dbraw/zinc/57/72/18/1183577218.db2.gz FMZRNEAKQKWVJN-OAHLLOKOSA-N 1 3 279.428 1.273 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001734346095 1183741894 /nfs/dbraw/zinc/74/18/94/1183741894.db2.gz JKYRJMXCUQDHJQ-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001734346095 1183741899 /nfs/dbraw/zinc/74/18/99/1183741899.db2.gz JKYRJMXCUQDHJQ-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO CC[N@@H+]1CC[C@H](N(C)CCO[C@@H](C)C#N)[C@H](C)C1 ZINC000801933297 773802733 /nfs/dbraw/zinc/80/27/33/773802733.db2.gz MZMVAZLLRREJSQ-RDBSUJKOSA-N 1 3 253.390 1.577 10 30 CDEEHO CC[N@H+]1CC[C@H](N(C)CCO[C@@H](C)C#N)[C@H](C)C1 ZINC000801933297 773802735 /nfs/dbraw/zinc/80/27/35/773802735.db2.gz MZMVAZLLRREJSQ-RDBSUJKOSA-N 1 3 253.390 1.577 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000876773029 775625563 /nfs/dbraw/zinc/62/55/63/775625563.db2.gz LWRNGBAKANXLKH-ZIAGYGMSSA-N 1 3 299.846 1.791 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000876947287 776157732 /nfs/dbraw/zinc/15/77/32/776157732.db2.gz BQORIRWZCMBVIN-GFCCVEGCSA-N 1 3 285.750 1.371 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000876532942 777738551 /nfs/dbraw/zinc/73/85/51/777738551.db2.gz NCJPOSXKQFWRDQ-VXGBXAGGSA-N 1 3 273.808 1.480 10 30 CDEEHO C=CCNC(N[C@@H]1CN(C(C)C)C[C@H]1C)=[NH+]CC ZINC000261961968 779330981 /nfs/dbraw/zinc/33/09/81/779330981.db2.gz KIMIGXXTLXVQEL-CHWSQXEVSA-N 1 3 252.406 1.456 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000876533238 779954774 /nfs/dbraw/zinc/95/47/74/779954774.db2.gz GMQZGRORWOEKGE-LSJOCFKGSA-N 1 3 259.781 1.042 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000876879330 780070557 /nfs/dbraw/zinc/07/05/57/780070557.db2.gz QHKVUVXEKROVRX-GHMZBOCLSA-N 1 3 259.781 1.009 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246226 780073958 /nfs/dbraw/zinc/07/39/58/780073958.db2.gz RXROXQDPLVFRGP-WRWGMCAJSA-N 1 3 271.792 1.103 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001266438703 894894863 /nfs/dbraw/zinc/89/48/63/894894863.db2.gz DAPXNRQZVIFGOO-GJZGRUSLSA-N 1 3 279.428 1.080 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001266535300 895262212 /nfs/dbraw/zinc/26/22/12/895262212.db2.gz XUVNXZOIRWQJIF-QWHCGFSZSA-N 1 3 253.390 1.093 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]1CCCNC(=O)CN(C)CCC ZINC001267178646 897018996 /nfs/dbraw/zinc/01/89/96/897018996.db2.gz DDKTYEYQHMIAHQ-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CN(C)CCC ZINC001267178646 897019005 /nfs/dbraw/zinc/01/90/05/897019005.db2.gz DDKTYEYQHMIAHQ-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001267564833 898381391 /nfs/dbraw/zinc/38/13/91/898381391.db2.gz FZXWZYBXTNFYNB-OAHLLOKOSA-N 1 3 295.471 1.979 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001267564833 898381404 /nfs/dbraw/zinc/38/14/04/898381404.db2.gz FZXWZYBXTNFYNB-OAHLLOKOSA-N 1 3 295.471 1.979 10 30 CDEEHO C=CCC[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001567633596 1168898505 /nfs/dbraw/zinc/89/85/05/1168898505.db2.gz DYSJXXXFMBSSBI-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001481518191 901034685 /nfs/dbraw/zinc/03/46/85/901034685.db2.gz KKHJBCQSGBIJMH-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[N@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001481518191 901034697 /nfs/dbraw/zinc/03/46/97/901034697.db2.gz KKHJBCQSGBIJMH-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C=C(C)CC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001269526799 903894695 /nfs/dbraw/zinc/89/46/95/903894695.db2.gz YVXDWRTYHXEWIR-UHFFFAOYSA-N 1 3 276.384 1.465 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001482235588 904004799 /nfs/dbraw/zinc/00/47/99/904004799.db2.gz LDAFCNFAFNTFQS-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CCN1CCC[C@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271007026 905543753 /nfs/dbraw/zinc/54/37/53/905543753.db2.gz HGOWUFWFXGCAPD-DOTOQJQBSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCN1CCC[C@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001271007026 905543765 /nfs/dbraw/zinc/54/37/65/905543765.db2.gz HGOWUFWFXGCAPD-DOTOQJQBSA-N 1 3 293.455 1.733 10 30 CDEEHO CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001271294643 906230030 /nfs/dbraw/zinc/23/00/30/906230030.db2.gz RDHJRMIFNHEGET-HZPDHXFCSA-N 1 3 295.471 1.716 10 30 CDEEHO C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001271759043 906778796 /nfs/dbraw/zinc/77/87/96/906778796.db2.gz LFAOLQLRWSZMRL-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001271923275 906984059 /nfs/dbraw/zinc/98/40/59/906984059.db2.gz SODRUIGFVXFLGG-UONOGXRCSA-N 1 3 267.417 1.080 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CC(C)C)CC1 ZINC001483197965 909959200 /nfs/dbraw/zinc/95/92/00/909959200.db2.gz TZUXWXBLMWAMQJ-CQSZACIVSA-N 1 3 279.428 1.082 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001484725446 916085129 /nfs/dbraw/zinc/08/51/29/916085129.db2.gz ADHGBMVWNZTQOD-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001484725446 916085148 /nfs/dbraw/zinc/08/51/48/916085148.db2.gz ADHGBMVWNZTQOD-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001484978299 916352559 /nfs/dbraw/zinc/35/25/59/916352559.db2.gz JKTSWIJUJKWZPG-KGLIPLIRSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001484978299 916352574 /nfs/dbraw/zinc/35/25/74/916352574.db2.gz JKTSWIJUJKWZPG-KGLIPLIRSA-N 1 3 279.428 1.626 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001486093040 920690719 /nfs/dbraw/zinc/69/07/19/920690719.db2.gz STFDNNBMUUMWSX-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001491360426 936897942 /nfs/dbraw/zinc/89/79/42/936897942.db2.gz IAEQJILJUBKLPF-FHERZECASA-N 1 3 293.455 1.921 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001490774364 927339414 /nfs/dbraw/zinc/33/94/14/927339414.db2.gz AGIBHYJHPLJIPI-HZPDHXFCSA-N 1 3 293.455 1.376 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001490774364 927339426 /nfs/dbraw/zinc/33/94/26/927339426.db2.gz AGIBHYJHPLJIPI-HZPDHXFCSA-N 1 3 293.455 1.376 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001274152712 931205528 /nfs/dbraw/zinc/20/55/28/931205528.db2.gz HIDRCFWKZPFRQN-WLMCBFPDSA-N 1 3 291.439 1.392 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001274152712 931205531 /nfs/dbraw/zinc/20/55/31/931205531.db2.gz HIDRCFWKZPFRQN-WLMCBFPDSA-N 1 3 291.439 1.392 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001281956969 942636730 /nfs/dbraw/zinc/63/67/30/942636730.db2.gz NRDZHRDMMREPNQ-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001281956969 942636735 /nfs/dbraw/zinc/63/67/35/942636735.db2.gz NRDZHRDMMREPNQ-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001265390394 944370893 /nfs/dbraw/zinc/37/08/93/944370893.db2.gz DQEIOIWXBWVAFG-HUUCEWRRSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001265390394 944370897 /nfs/dbraw/zinc/37/08/97/944370897.db2.gz DQEIOIWXBWVAFG-HUUCEWRRSA-N 1 3 279.428 1.130 10 30 CDEEHO C=CC[NH+]1CCC(C2(NC(=O)CN(C)CCC)CC2)CC1 ZINC001279368319 944799360 /nfs/dbraw/zinc/79/93/60/944799360.db2.gz OAFUFLMIHBKTPD-UHFFFAOYSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568899248 1169538450 /nfs/dbraw/zinc/53/84/50/1169538450.db2.gz VOSNGCBPKYHUQV-SREVYHEPSA-N 1 3 277.412 1.146 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C1 ZINC001480168671 971611506 /nfs/dbraw/zinc/61/15/06/971611506.db2.gz UHDJFMLFNXBSMC-JOCQHMNTSA-N 1 3 253.390 1.141 10 30 CDEEHO CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001491873216 955487364 /nfs/dbraw/zinc/48/73/64/955487364.db2.gz CPVZUCGINAFNPX-LSDHHAIUSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCCN(C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001492359469 955828613 /nfs/dbraw/zinc/82/86/13/955828613.db2.gz RLEUCUIUATXSMS-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CCCN(C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001492359469 955828625 /nfs/dbraw/zinc/82/86/25/955828625.db2.gz RLEUCUIUATXSMS-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001330961144 956729282 /nfs/dbraw/zinc/72/92/82/956729282.db2.gz ICJRTFGRONINKA-HUUCEWRRSA-N 1 3 281.444 1.470 10 30 CDEEHO CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317042740 957224083 /nfs/dbraw/zinc/22/40/83/957224083.db2.gz GJPVZBRZXBCMKO-JKSUJKDBSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317042740 957224090 /nfs/dbraw/zinc/22/40/90/957224090.db2.gz GJPVZBRZXBCMKO-JKSUJKDBSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001317305901 957414362 /nfs/dbraw/zinc/41/43/62/957414362.db2.gz PJZXJCGDISISGQ-CABCVRRESA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001332807037 957851883 /nfs/dbraw/zinc/85/18/83/957851883.db2.gz NMSDJLAQACBWMG-HNNXBMFYSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[NH2+]CCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001318895619 958295272 /nfs/dbraw/zinc/29/52/72/958295272.db2.gz NWPSLVQLJAYZPO-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[NH+]1CCC(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001319027459 958340038 /nfs/dbraw/zinc/34/00/38/958340038.db2.gz LSXILCMAJMUZJR-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CC)CNC(=O)CN1CC[C@H](C)C1 ZINC001495058024 972390641 /nfs/dbraw/zinc/39/06/41/972390641.db2.gz MAYRGQHNISXHDR-KBPBESRZSA-N 1 3 267.417 1.389 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CCC=C)CC1 ZINC001322087349 960079322 /nfs/dbraw/zinc/07/93/22/960079322.db2.gz HKNNSZSEWFQJPT-AWEZNQCLSA-N 1 3 277.412 1.002 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC001344411817 964302734 /nfs/dbraw/zinc/30/27/34/964302734.db2.gz XTPCTLMHTRXBGY-JKSUJKDBSA-N 1 3 289.423 1.746 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480117719 967095396 /nfs/dbraw/zinc/09/53/96/967095396.db2.gz WIXPANHGDNOOHL-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001357611525 969629269 /nfs/dbraw/zinc/62/92/69/969629269.db2.gz JJMJGABIHMFBCK-SOUVJXGZSA-N 1 3 279.428 1.661 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001467727463 970093441 /nfs/dbraw/zinc/09/34/41/970093441.db2.gz HOEDPXYTIMAYNZ-GJZGRUSLSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001467727463 970093453 /nfs/dbraw/zinc/09/34/53/970093453.db2.gz HOEDPXYTIMAYNZ-GJZGRUSLSA-N 1 3 281.444 1.683 10 30 CDEEHO C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001569639138 1169948404 /nfs/dbraw/zinc/94/84/04/1169948404.db2.gz NDNQZJAHGINRRO-HOCLYGCPSA-N 1 3 297.418 1.270 10 30 CDEEHO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001569639138 1169948408 /nfs/dbraw/zinc/94/84/08/1169948408.db2.gz NDNQZJAHGINRRO-HOCLYGCPSA-N 1 3 297.418 1.270 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CCCF)CC1 ZINC001497331288 973288936 /nfs/dbraw/zinc/28/89/36/973288936.db2.gz LDZSANFBEMBLMT-AWEZNQCLSA-N 1 3 297.418 1.176 10 30 CDEEHO CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001569683990 1169965670 /nfs/dbraw/zinc/96/56/70/1169965670.db2.gz VQACYJQXZDBDRG-WBVHZDCISA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001499858414 974314896 /nfs/dbraw/zinc/31/48/96/974314896.db2.gz VVSTYDABEUAHNQ-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001505433750 974877237 /nfs/dbraw/zinc/87/72/37/974877237.db2.gz DOHZIPDECGSTIA-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001505433750 974877240 /nfs/dbraw/zinc/87/72/40/974877240.db2.gz DOHZIPDECGSTIA-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[N@@H+](C)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001506063133 975104785 /nfs/dbraw/zinc/10/47/85/975104785.db2.gz LITGVVYVIPOVSK-CQSZACIVSA-N 1 3 289.423 1.984 10 30 CDEEHO C=CC[N@H+](C)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001506063133 975104787 /nfs/dbraw/zinc/10/47/87/975104787.db2.gz LITGVVYVIPOVSK-CQSZACIVSA-N 1 3 289.423 1.984 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001507402252 975454253 /nfs/dbraw/zinc/45/42/53/975454253.db2.gz XCAQITYTPJISSA-LSDHHAIUSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001569829364 1170008904 /nfs/dbraw/zinc/00/89/04/1170008904.db2.gz XULGVSKEPAIXIT-KBPBESRZSA-N 1 3 267.417 1.339 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCNC(=O)[C@H](CC)N(C)C ZINC001492819305 977769029 /nfs/dbraw/zinc/76/90/29/977769029.db2.gz QMHHPBXVYFJVFE-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)CC[N@H+](C)CCNC(=O)[C@H](CC)N(C)C ZINC001492819305 977769041 /nfs/dbraw/zinc/76/90/41/977769041.db2.gz QMHHPBXVYFJVFE-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001674839842 1174014387 /nfs/dbraw/zinc/01/43/87/1174014387.db2.gz NGDCROAKEBFCMN-AWEZNQCLSA-N 1 3 281.444 1.280 10 30 CDEEHO CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H](CC)N(C)C)C(C)C ZINC001675141159 1174078834 /nfs/dbraw/zinc/07/88/34/1174078834.db2.gz VPZVGGYTQQGBQA-HZPDHXFCSA-N 1 3 295.471 1.813 10 30 CDEEHO CC#CCN1CCC([C@@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001571645539 1170507206 /nfs/dbraw/zinc/50/72/06/1170507206.db2.gz JQTQIDBUYNSTLR-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN1CCC([C@@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001571645539 1170507213 /nfs/dbraw/zinc/50/72/13/1170507213.db2.gz JQTQIDBUYNSTLR-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](N)CCCCC#N ZINC000594437666 342905989 /nfs/dbraw/zinc/90/59/89/342905989.db2.gz KKQYZAZONYWSMF-CHWSQXEVSA-N 1 3 268.405 1.244 10 30 CDEEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](N)CCCCC#N ZINC000594437666 342905990 /nfs/dbraw/zinc/90/59/90/342905990.db2.gz KKQYZAZONYWSMF-CHWSQXEVSA-N 1 3 268.405 1.244 10 30 CDEEHO CC(C)[NH+](CCNC(=O)[C@H](N)CCCCC#N)C(C)C ZINC000594446029 342908665 /nfs/dbraw/zinc/90/86/65/342908665.db2.gz OWZUPGIMEBYQCD-CQSZACIVSA-N 1 3 282.432 1.633 10 30 CDEEHO CN(C)CCC[N@H+](C)CCNc1ccc(Cl)c(C#N)n1 ZINC000596425911 343312003 /nfs/dbraw/zinc/31/20/03/343312003.db2.gz YMKKKOWGQASRKE-UHFFFAOYSA-N 1 3 295.818 1.324 10 30 CDEEHO CN(C)CCC[N@@H+](C)CCNc1ccc(Cl)c(C#N)n1 ZINC000596425911 343312005 /nfs/dbraw/zinc/31/20/05/343312005.db2.gz YMKKKOWGQASRKE-UHFFFAOYSA-N 1 3 295.818 1.324 10 30 CDEEHO N#Cc1ccc2c(c1)CCC[C@H]2NCCOCCC[NH3+] ZINC000600710049 349875827 /nfs/dbraw/zinc/87/58/27/349875827.db2.gz NOQZKVAKNSSPEG-MRXNPFEDSA-N 1 3 273.380 1.891 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001660330707 1172197189 /nfs/dbraw/zinc/19/71/89/1172197189.db2.gz WHOHLMUZMMYQIU-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001660330707 1172197191 /nfs/dbraw/zinc/19/71/91/1172197191.db2.gz WHOHLMUZMMYQIU-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO CCN(CC#CCN(CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361597554 368927038 /nfs/dbraw/zinc/92/70/38/368927038.db2.gz ZDZRYHPWFRSFJD-IYBDPMFKSA-N 1 3 280.412 1.211 10 30 CDEEHO CCN(CC#CC[N@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361597554 368927042 /nfs/dbraw/zinc/92/70/42/368927042.db2.gz ZDZRYHPWFRSFJD-IYBDPMFKSA-N 1 3 280.412 1.211 10 30 CDEEHO CCN(CC#CC[N@@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361597554 368927044 /nfs/dbraw/zinc/92/70/44/368927044.db2.gz ZDZRYHPWFRSFJD-IYBDPMFKSA-N 1 3 280.412 1.211 10 30 CDEEHO CCN(CC#CC[N@H+](CC)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361597554 368927047 /nfs/dbraw/zinc/92/70/47/368927047.db2.gz ZDZRYHPWFRSFJD-IYBDPMFKSA-N 1 3 280.412 1.211 10 30 CDEEHO CCN(CC#CC[N@@H+](CC)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361597554 368927050 /nfs/dbraw/zinc/92/70/50/368927050.db2.gz ZDZRYHPWFRSFJD-IYBDPMFKSA-N 1 3 280.412 1.211 10 30 CDEEHO CN1C[C@@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193618589 375881812 /nfs/dbraw/zinc/88/18/12/375881812.db2.gz FNNFGEUIUWRWDS-XHSDSOJGSA-N 1 3 271.364 1.085 10 30 CDEEHO CN1C[C@@H]2C[N@H+](C[C@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193618589 375881817 /nfs/dbraw/zinc/88/18/17/375881817.db2.gz FNNFGEUIUWRWDS-XHSDSOJGSA-N 1 3 271.364 1.085 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCC(C)C)CC1 ZINC001662423452 1172546178 /nfs/dbraw/zinc/54/61/78/1172546178.db2.gz DADUGNKXXKWBPE-OAHLLOKOSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CC[C@]1(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CCC[NH2+]1 ZINC000662743905 413417203 /nfs/dbraw/zinc/41/72/03/413417203.db2.gz APTMYGDDHVWUEC-IIAWOOMASA-N 1 3 279.428 1.626 10 30 CDEEHO C=CC[C@@]1(C(=O)NCc2ccc3c(c2)CNC3)CCC[NH2+]1 ZINC000662769478 413465563 /nfs/dbraw/zinc/46/55/63/413465563.db2.gz FFNVFTJHLGOQAD-KRWDZBQOSA-N 1 3 285.391 1.604 10 30 CDEEHO C=C(C)CN1CCC(NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659449935 413837397 /nfs/dbraw/zinc/83/73/97/413837397.db2.gz BNNOYKXUUQPVNK-UHFFFAOYSA-N 1 3 292.427 1.078 10 30 CDEEHO [NH3+]CC#Cc1ccc(CN2CCC[C@H](O)C2)s1 ZINC000043683962 175091929 /nfs/dbraw/zinc/09/19/29/175091929.db2.gz KRISYPSITNYBND-NSHDSACASA-N 1 3 250.367 1.015 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CC12CCCC2 ZINC000263270283 330051300 /nfs/dbraw/zinc/05/13/00/330051300.db2.gz OYZOCQAENICIFY-CHWSQXEVSA-N 1 3 264.417 1.708 10 30 CDEEHO C=CC[C@H](CO)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000680485193 483635071 /nfs/dbraw/zinc/63/50/71/483635071.db2.gz VINZJICNOKLZQV-OAHLLOKOSA-N 1 3 278.396 1.654 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001717472309 1180692469 /nfs/dbraw/zinc/69/24/69/1180692469.db2.gz KZRSCXRGDOIKSI-GJZGRUSLSA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001717472309 1180692472 /nfs/dbraw/zinc/69/24/72/1180692472.db2.gz KZRSCXRGDOIKSI-GJZGRUSLSA-N 1 3 279.428 1.319 10 30 CDEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC)C(C)C)CC1 ZINC001689970469 1175326326 /nfs/dbraw/zinc/32/63/26/1175326326.db2.gz QKOGLRRFTLOQTN-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CC)C(C)C)CC1 ZINC001689970469 1175326335 /nfs/dbraw/zinc/32/63/35/1175326335.db2.gz QKOGLRRFTLOQTN-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC(C(=O)N(C)CC[NH2+]C[C@@H](F)CC)CC1 ZINC001731988708 1159554973 /nfs/dbraw/zinc/55/49/73/1159554973.db2.gz ZREJPTZTVDQUOQ-HNNXBMFYSA-N 1 3 297.418 1.128 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001566940064 1168475823 /nfs/dbraw/zinc/47/58/23/1168475823.db2.gz WXDMHXVIPOPKJR-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001569319660 1169762471 /nfs/dbraw/zinc/76/24/71/1169762471.db2.gz BWTWYUJNOAYZIA-HNNXBMFYSA-N 1 3 293.455 1.472 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001571126130 1170339013 /nfs/dbraw/zinc/33/90/13/1170339013.db2.gz SAXQPBPYTKXOLT-SHTZXODSSA-N 1 3 293.455 1.921 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001571488706 1170452255 /nfs/dbraw/zinc/45/22/55/1170452255.db2.gz GYXYSGDRHHZICP-CVEARBPZSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001673492178 1173864396 /nfs/dbraw/zinc/86/43/96/1173864396.db2.gz ZENNKYVOELFWNJ-HOTGVXAUSA-N 1 3 293.455 1.663 10 30 CDEEHO C#CCCN1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001698579188 1175853539 /nfs/dbraw/zinc/85/35/39/1175853539.db2.gz XCSZQRZMKPFJRJ-MRXNPFEDSA-N 1 3 291.439 1.418 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001698970612 1176001242 /nfs/dbraw/zinc/00/12/42/1176001242.db2.gz AUSRHSYNJGSRDH-LSDHHAIUSA-N 1 3 279.428 1.082 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001699949082 1176692596 /nfs/dbraw/zinc/69/25/96/1176692596.db2.gz BKPJXHXMUULQGF-LSDHHAIUSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001700180979 1176784085 /nfs/dbraw/zinc/78/40/85/1176784085.db2.gz MGEWOWADXHNESQ-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001700180979 1176784087 /nfs/dbraw/zinc/78/40/87/1176784087.db2.gz MGEWOWADXHNESQ-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C#CC[N@H+]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001700180913 1176784269 /nfs/dbraw/zinc/78/42/69/1176784269.db2.gz LIDCTQRCCJIGER-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001700180913 1176784273 /nfs/dbraw/zinc/78/42/73/1176784273.db2.gz LIDCTQRCCJIGER-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001700989106 1177227627 /nfs/dbraw/zinc/22/76/27/1177227627.db2.gz WNLOFPXWTJOMQP-AWEZNQCLSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001713329029 1178500470 /nfs/dbraw/zinc/50/04/70/1178500470.db2.gz XGRAYZVAURSVPH-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)CN(C)C1CCC1)C(C)C ZINC001713689766 1178711312 /nfs/dbraw/zinc/71/13/12/1178711312.db2.gz TWJKXPDVGXMAKS-UHFFFAOYSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)CN(C)C1CCC1)C(C)C ZINC001713689766 1178711315 /nfs/dbraw/zinc/71/13/15/1178711315.db2.gz TWJKXPDVGXMAKS-UHFFFAOYSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001713742112 1178732092 /nfs/dbraw/zinc/73/20/92/1178732092.db2.gz RTDWLJMSLZBPDN-HNNXBMFYSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@H+](CC)C2)CC1 ZINC001713742112 1178732096 /nfs/dbraw/zinc/73/20/96/1178732096.db2.gz RTDWLJMSLZBPDN-HNNXBMFYSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001714108239 1178976183 /nfs/dbraw/zinc/97/61/83/1178976183.db2.gz WJEOVOZUYGHLJC-LSDHHAIUSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001715007187 1179504849 /nfs/dbraw/zinc/50/48/49/1179504849.db2.gz AXJCIEHNUMMKPT-HUUCEWRRSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001715157082 1179567077 /nfs/dbraw/zinc/56/70/77/1179567077.db2.gz UWDDKVCIDFDXIF-CQSZACIVSA-N 1 3 288.395 1.194 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715521752 1179697516 /nfs/dbraw/zinc/69/75/16/1179697516.db2.gz XLFOHDUTLFGSLM-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001715521752 1179697517 /nfs/dbraw/zinc/69/75/17/1179697517.db2.gz XLFOHDUTLFGSLM-MRXNPFEDSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001715539567 1179709158 /nfs/dbraw/zinc/70/91/58/1179709158.db2.gz LNHGGRNRZCMEJI-KBPBESRZSA-N 1 3 267.417 1.435 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001716244585 1180118252 /nfs/dbraw/zinc/11/82/52/1180118252.db2.gz ZDMWGZGXQHYIQD-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCNCCN(CC)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001716244585 1180118254 /nfs/dbraw/zinc/11/82/54/1180118254.db2.gz ZDMWGZGXQHYIQD-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001716513706 1180263270 /nfs/dbraw/zinc/26/32/70/1180263270.db2.gz GMTJQRLGMQLMED-ZBFHGGJFSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001717098738 1180530293 /nfs/dbraw/zinc/53/02/93/1180530293.db2.gz HSFZXFFCOKOPRI-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001717652182 1180776399 /nfs/dbraw/zinc/77/63/99/1180776399.db2.gz HHNBKVCQLIRNQB-KLHDSHLOSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001722913533 1181492414 /nfs/dbraw/zinc/49/24/14/1181492414.db2.gz KTUSQGOWTDJLTG-NSHDSACASA-N 1 3 264.373 1.273 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001722913533 1181492419 /nfs/dbraw/zinc/49/24/19/1181492419.db2.gz KTUSQGOWTDJLTG-NSHDSACASA-N 1 3 264.373 1.273 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001723888573 1181619621 /nfs/dbraw/zinc/61/96/21/1181619621.db2.gz MWGDWWAGMTVQIS-KBPBESRZSA-N 1 3 265.401 1.237 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001731327686 1182320943 /nfs/dbraw/zinc/32/09/43/1182320943.db2.gz IGGHZOVNAPLYGO-HNNXBMFYSA-N 1 3 277.412 1.075 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001731327686 1182320950 /nfs/dbraw/zinc/32/09/50/1182320950.db2.gz IGGHZOVNAPLYGO-HNNXBMFYSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001732126982 1182790801 /nfs/dbraw/zinc/79/08/01/1182790801.db2.gz SRFHAYMOWDSAQR-CQSZACIVSA-N 1 3 293.455 1.873 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001732507647 1182992020 /nfs/dbraw/zinc/99/20/20/1182992020.db2.gz JBVQTLIDEOYXJR-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001733182852 1183321743 /nfs/dbraw/zinc/32/17/43/1183321743.db2.gz AWGKDVCOUFMXHR-GDBMZVCRSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001733326745 1183398212 /nfs/dbraw/zinc/39/82/12/1183398212.db2.gz HYCNCSQPDKHQRC-UONOGXRCSA-N 1 3 290.411 1.888 10 30 CDEEHO CNC(NC[C@@H]1CCN1C1CCCCCC1)=[NH+]C ZINC000864358008 1164532624 /nfs/dbraw/zinc/53/26/24/1164532624.db2.gz DEBFZKXFZQWEKM-ZDUSSCGKSA-N 1 3 252.406 1.578 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317851604 1164777341 /nfs/dbraw/zinc/77/73/41/1164777341.db2.gz BMFVLKLWUBMIJG-HNNXBMFYSA-N 1 3 295.471 1.931 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317851604 1164777348 /nfs/dbraw/zinc/77/73/48/1164777348.db2.gz BMFVLKLWUBMIJG-HNNXBMFYSA-N 1 3 295.471 1.931 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000877159813 783156603 /nfs/dbraw/zinc/15/66/03/783156603.db2.gz MCJXJBXLTLOVOB-KGLIPLIRSA-N 1 3 295.814 1.533 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC1CC[NH+](CC)CC1 ZINC000876735380 780301053 /nfs/dbraw/zinc/30/10/53/780301053.db2.gz NCRVDDCJZARNAJ-GFCCVEGCSA-N 1 3 273.808 1.304 10 30 CDEEHO CC(C)N(CCNC(=[NH2+])NC[C@@H]1CCCO1)C(C)C ZINC000195522193 783326232 /nfs/dbraw/zinc/32/62/32/783326232.db2.gz KUTCBURSJVVYPA-ZDUSSCGKSA-N 1 3 270.421 1.189 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)CCC)CCO1 ZINC001571002673 1167587545 /nfs/dbraw/zinc/58/75/45/1167587545.db2.gz SEXYWGVIEBLIIP-LSDHHAIUSA-N 1 3 297.443 1.110 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001566910425 1168042157 /nfs/dbraw/zinc/04/21/57/1168042157.db2.gz SOAMFDJYEJQDJK-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001566879180 1168455848 /nfs/dbraw/zinc/45/58/48/1168455848.db2.gz HEWRKYKLCDXEIS-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001566879180 1168455852 /nfs/dbraw/zinc/45/58/52/1168455852.db2.gz HEWRKYKLCDXEIS-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001266517482 895196588 /nfs/dbraw/zinc/19/65/88/895196588.db2.gz KICUVBJWKKTRGP-LSDHHAIUSA-N 1 3 297.418 1.128 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001266517482 895196598 /nfs/dbraw/zinc/19/65/98/895196598.db2.gz KICUVBJWKKTRGP-LSDHHAIUSA-N 1 3 297.418 1.128 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267069341 896683456 /nfs/dbraw/zinc/68/34/56/896683456.db2.gz UNHGWDMXKNUBIX-CQSZACIVSA-N 1 3 265.401 1.096 10 30 CDEEHO C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001481330157 900427378 /nfs/dbraw/zinc/42/73/78/900427378.db2.gz YEZKTNIMZZBLMB-HOCLYGCPSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001268216252 901586887 /nfs/dbraw/zinc/58/68/87/901586887.db2.gz IWBNQYZZFRLLLT-HUUCEWRRSA-N 1 3 281.444 1.326 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001268216253 901587757 /nfs/dbraw/zinc/58/77/57/901587757.db2.gz IWBNQYZZFRLLLT-LSDHHAIUSA-N 1 3 281.444 1.326 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001284195365 902667995 /nfs/dbraw/zinc/66/79/95/902667995.db2.gz JZPDJIFACPIFQD-LSDHHAIUSA-N 1 3 291.439 1.369 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001271181993 906150336 /nfs/dbraw/zinc/15/03/36/906150336.db2.gz PNOFYVFFKOKHEM-UONOGXRCSA-N 1 3 267.417 1.032 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001496734242 906849691 /nfs/dbraw/zinc/84/96/91/906849691.db2.gz CTESLBHDHZTUPD-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001496734242 906849708 /nfs/dbraw/zinc/84/97/08/906849708.db2.gz CTESLBHDHZTUPD-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C[N@@H+]1CCN(C(=O)[C@H](N)CCCCC#N)CCC1(C)C ZINC000712620712 909575289 /nfs/dbraw/zinc/57/52/89/909575289.db2.gz BEGUTWYACUEKCN-CYBMUJFWSA-N 1 3 280.416 1.340 10 30 CDEEHO C[N@H+]1CCN(C(=O)[C@H](N)CCCCC#N)CCC1(C)C ZINC000712620712 909575302 /nfs/dbraw/zinc/57/53/02/909575302.db2.gz BEGUTWYACUEKCN-CYBMUJFWSA-N 1 3 280.416 1.340 10 30 CDEEHO CN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CCC1(C)C ZINC000712620712 909575313 /nfs/dbraw/zinc/57/53/13/909575313.db2.gz BEGUTWYACUEKCN-CYBMUJFWSA-N 1 3 280.416 1.340 10 30 CDEEHO C#CCC[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001273018761 921568627 /nfs/dbraw/zinc/56/86/27/921568627.db2.gz OIGQNRYJNHXZOG-CQSZACIVSA-N 1 3 281.444 1.472 10 30 CDEEHO C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001485351574 916871416 /nfs/dbraw/zinc/87/14/16/916871416.db2.gz VGZCHOGLVGOWAL-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001485351574 916871428 /nfs/dbraw/zinc/87/14/28/916871428.db2.gz VGZCHOGLVGOWAL-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+]CCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485724718 917216142 /nfs/dbraw/zinc/21/61/42/917216142.db2.gz RPDBXDIYUMCAFH-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCC[C@@H](O)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880472974 929685698 /nfs/dbraw/zinc/68/56/98/929685698.db2.gz KGQQEBVYBJHAQG-CQSZACIVSA-N 1 3 252.402 1.874 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001274785889 931576896 /nfs/dbraw/zinc/57/68/96/931576896.db2.gz FMIRKEUGPZTGSA-KBPBESRZSA-N 1 3 267.417 1.389 10 30 CDEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001275710144 931971408 /nfs/dbraw/zinc/97/14/08/931971408.db2.gz OLHMSMFKJJMKJU-OAHLLOKOSA-N 1 3 295.471 1.670 10 30 CDEEHO C[N@@H+]1CC[C@H](NCCNc2ccc(C#N)cn2)[C@H]2CCC[C@H]21 ZINC000927161987 933049264 /nfs/dbraw/zinc/04/92/64/933049264.db2.gz AOFLMFAYBOVOEW-OWCLPIDISA-N 1 3 299.422 1.828 10 30 CDEEHO C[N@H+]1CC[C@H](NCCNc2ccc(C#N)cn2)[C@H]2CCC[C@H]21 ZINC000927161987 933049271 /nfs/dbraw/zinc/04/92/71/933049271.db2.gz AOFLMFAYBOVOEW-OWCLPIDISA-N 1 3 299.422 1.828 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001122243159 937915216 /nfs/dbraw/zinc/91/52/16/937915216.db2.gz SOGBUOPRLYXQNO-WDEREUQCSA-N 1 3 259.781 1.057 10 30 CDEEHO C#CCC[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001280394233 942433808 /nfs/dbraw/zinc/43/38/08/942433808.db2.gz FYHXOABMJMKTLM-UHFFFAOYSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001281531218 942589924 /nfs/dbraw/zinc/58/99/24/942589924.db2.gz XEZWYMWVCUONJR-UHFFFAOYSA-N 1 3 277.412 1.076 10 30 CDEEHO C#CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001283296470 942873659 /nfs/dbraw/zinc/87/36/59/942873659.db2.gz JOBCUHKIQJKZDT-HNNXBMFYSA-N 1 3 277.412 1.027 10 30 CDEEHO C#CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001283296470 942873662 /nfs/dbraw/zinc/87/36/62/942873662.db2.gz JOBCUHKIQJKZDT-HNNXBMFYSA-N 1 3 277.412 1.027 10 30 CDEEHO C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)N(C)C ZINC001264553649 944149008 /nfs/dbraw/zinc/14/90/08/944149008.db2.gz VHWYSDKTKLNONO-QLFBSQMISA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001265416409 944377085 /nfs/dbraw/zinc/37/70/85/944377085.db2.gz ZISHEVBOLAZUID-OAGGEKHMSA-N 1 3 291.439 1.580 10 30 CDEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001265416409 944377091 /nfs/dbraw/zinc/37/70/91/944377091.db2.gz ZISHEVBOLAZUID-OAGGEKHMSA-N 1 3 291.439 1.580 10 30 CDEEHO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001493498290 972071098 /nfs/dbraw/zinc/07/10/98/972071098.db2.gz ATPYJGOULCKCPM-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001316666576 955290219 /nfs/dbraw/zinc/29/02/19/955290219.db2.gz NGCUNFDCUSRVRP-QWHCGFSZSA-N 1 3 276.384 1.321 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001492251915 955757099 /nfs/dbraw/zinc/75/70/99/955757099.db2.gz AZINFMORYBSLRA-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001492251915 955757105 /nfs/dbraw/zinc/75/71/05/955757105.db2.gz AZINFMORYBSLRA-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001317530355 957531304 /nfs/dbraw/zinc/53/13/04/957531304.db2.gz WNCZAXBVFRKOGO-OAHLLOKOSA-N 1 3 293.455 1.426 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001317530355 957531307 /nfs/dbraw/zinc/53/13/07/957531307.db2.gz WNCZAXBVFRKOGO-OAHLLOKOSA-N 1 3 293.455 1.426 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001317552883 957548192 /nfs/dbraw/zinc/54/81/92/957548192.db2.gz NJCDRYMWDHXMLN-LSDHHAIUSA-N 1 3 279.428 1.483 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001317552883 957548201 /nfs/dbraw/zinc/54/82/01/957548201.db2.gz NJCDRYMWDHXMLN-LSDHHAIUSA-N 1 3 279.428 1.483 10 30 CDEEHO C#CCC[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001318665914 958218489 /nfs/dbraw/zinc/21/84/89/958218489.db2.gz GFXSHJBZWBZIJD-UHFFFAOYSA-N 1 3 288.395 1.303 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001318851538 958279135 /nfs/dbraw/zinc/27/91/35/958279135.db2.gz RURWYGWOEDINAV-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001494906789 972334749 /nfs/dbraw/zinc/33/47/49/972334749.db2.gz VBYPMALZCDNVGN-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001494906789 972334751 /nfs/dbraw/zinc/33/47/51/972334751.db2.gz VBYPMALZCDNVGN-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001319688192 958690022 /nfs/dbraw/zinc/69/00/22/958690022.db2.gz AIGFSFUIERRXLU-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001321083391 959581900 /nfs/dbraw/zinc/58/19/00/959581900.db2.gz IWLKYDIIWPINFV-XHPSBEMXSA-N 1 3 277.412 1.146 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001321083391 959581909 /nfs/dbraw/zinc/58/19/09/959581909.db2.gz IWLKYDIIWPINFV-XHPSBEMXSA-N 1 3 277.412 1.146 10 30 CDEEHO C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCCN1CC ZINC001321419329 959774253 /nfs/dbraw/zinc/77/42/53/959774253.db2.gz OVTLZHRWCWTMPA-IDTUSYRASA-N 1 3 279.428 1.699 10 30 CDEEHO C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC[NH+](C)C ZINC001439242828 963687815 /nfs/dbraw/zinc/68/78/15/963687815.db2.gz BLMYNLUYRQCJJS-NSHDSACASA-N 1 3 294.424 1.166 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001346497088 965142840 /nfs/dbraw/zinc/14/28/40/965142840.db2.gz YTUPNWHDNGVBQC-ZIAGYGMSSA-N 1 3 267.417 1.566 10 30 CDEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(C#N)CCCC1 ZINC000849047061 969434665 /nfs/dbraw/zinc/43/46/65/969434665.db2.gz OMXGXOJOLDBQLQ-ZDUSSCGKSA-N 1 3 277.416 1.669 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001495953574 972718609 /nfs/dbraw/zinc/71/86/09/972718609.db2.gz HJLZTRPAFCXQOF-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496756608 973082012 /nfs/dbraw/zinc/08/20/12/973082012.db2.gz KXNSXYAOZUEUAI-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001496768251 973087861 /nfs/dbraw/zinc/08/78/61/973087861.db2.gz XTAWFIFPBVWXAZ-MRXNPFEDSA-N 1 3 293.455 1.522 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001496768251 973087866 /nfs/dbraw/zinc/08/78/66/973087866.db2.gz XTAWFIFPBVWXAZ-MRXNPFEDSA-N 1 3 293.455 1.522 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001497969471 973593338 /nfs/dbraw/zinc/59/33/38/973593338.db2.gz WTTALFGBGQEJRX-CHWSQXEVSA-N 1 3 255.406 1.243 10 30 CDEEHO CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001498659545 974014098 /nfs/dbraw/zinc/01/40/98/974014098.db2.gz ZVZOBVRMANHJAI-OAHLLOKOSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCCN1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001675318399 1174101220 /nfs/dbraw/zinc/10/12/20/1174101220.db2.gz ZWMCZOPVFBKXNB-HOCLYGCPSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCCN1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001675318399 1174101224 /nfs/dbraw/zinc/10/12/24/1174101224.db2.gz ZWMCZOPVFBKXNB-HOCLYGCPSA-N 1 3 291.439 1.321 10 30 CDEEHO C[C@H]1CC2(CN1C(=O)[C@@H](N)CCCCC#N)CC[NH2+]CC2 ZINC000594450277 342909821 /nfs/dbraw/zinc/90/98/21/342909821.db2.gz WPWWPBKQNHIRLP-KBPBESRZSA-N 1 3 292.427 1.388 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000594424426 342903852 /nfs/dbraw/zinc/90/38/52/342903852.db2.gz DJGVPIITYSTKDN-ZDUSSCGKSA-N 1 3 280.416 1.566 10 30 CDEEHO CN(CC#CCN1CCCC1)C(=O)CCCCCCC[NH3+] ZINC000027849451 342235483 /nfs/dbraw/zinc/23/54/83/342235483.db2.gz ZVJVPSSFABWHOS-UHFFFAOYSA-N 1 3 293.455 1.843 10 30 CDEEHO N#Cc1ccc(N2CCC([NH2+]CCCN)CC2)cc1 ZINC000423194773 283154340 /nfs/dbraw/zinc/15/43/40/283154340.db2.gz RODKLBOOIXDVCY-UHFFFAOYSA-N 1 3 258.369 1.465 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001661751978 1172440517 /nfs/dbraw/zinc/44/05/17/1172440517.db2.gz BUWRAACJSUVZBR-INIZCTEOSA-N 1 3 291.439 1.324 10 30 CDEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001664687164 1172886724 /nfs/dbraw/zinc/88/67/24/1172886724.db2.gz PYQGIRUTADUYQS-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001664687164 1172886730 /nfs/dbraw/zinc/88/67/30/1172886730.db2.gz PYQGIRUTADUYQS-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001664817034 1172914883 /nfs/dbraw/zinc/91/48/83/1172914883.db2.gz BBDWUAIGOWERNH-CABCVRRESA-N 1 3 281.444 1.539 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001664817034 1172914888 /nfs/dbraw/zinc/91/48/88/1172914888.db2.gz BBDWUAIGOWERNH-CABCVRRESA-N 1 3 281.444 1.539 10 30 CDEEHO C=CC[C@]1(C(=O)N(C)CCN(C)C2CC2)CCC[NH2+]1 ZINC000662803080 413521590 /nfs/dbraw/zinc/52/15/90/413521590.db2.gz VDVZMHYBOSDYNH-OAHLLOKOSA-N 1 3 265.401 1.237 10 30 CDEEHO COC[C@H](C)N(C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683830 175091994 /nfs/dbraw/zinc/09/19/94/175091994.db2.gz TZVREHYKAUWOQS-NSHDSACASA-N 1 3 252.383 1.525 10 30 CDEEHO C=C(C)CN(CC)C(=O)CN1CCC(CC[NH3+])CC1 ZINC000070534501 175975131 /nfs/dbraw/zinc/97/51/31/175975131.db2.gz LUAYIIICLIGKQM-UHFFFAOYSA-N 1 3 267.417 1.472 10 30 CDEEHO CC(C)CN1CCCC[C@H]1CNC(=[NH2+])N1CCSCC1 ZINC000160812977 264262027 /nfs/dbraw/zinc/26/20/27/264262027.db2.gz FBSUVVHCFYVBIS-AWEZNQCLSA-N 1 3 298.500 1.860 10 30 CDEEHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CN(C)C1CCC1 ZINC001667092659 1173233411 /nfs/dbraw/zinc/23/34/11/1173233411.db2.gz MOKVBSIILXMYBT-CQSZACIVSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001670041388 1173648033 /nfs/dbraw/zinc/64/80/33/1173648033.db2.gz ANLPYURLWUJJTE-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO CC(C)CN1CCCC[C@@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262476444 330016189 /nfs/dbraw/zinc/01/61/89/330016189.db2.gz QHKZFGCMXDBSFP-LSDHHAIUSA-N 1 3 296.459 1.532 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733040892 1160468136 /nfs/dbraw/zinc/46/81/36/1160468136.db2.gz KOZGYFZNXUILLT-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482923856 1160646410 /nfs/dbraw/zinc/64/64/10/1160646410.db2.gz HLXKTGZLIHUBDV-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482923856 1160646414 /nfs/dbraw/zinc/64/64/14/1160646414.db2.gz HLXKTGZLIHUBDV-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001707442187 1178046659 /nfs/dbraw/zinc/04/66/59/1178046659.db2.gz YECRJFJGSDGPAA-GJZGRUSLSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001483973349 1161243737 /nfs/dbraw/zinc/24/37/37/1161243737.db2.gz WHNCDYOEZKHIHR-UHFFFAOYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001715319072 1179621086 /nfs/dbraw/zinc/62/10/86/1179621086.db2.gz FUZMPHKNYASEDE-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001717208656 1180576408 /nfs/dbraw/zinc/57/64/08/1180576408.db2.gz HQOFGXYBCAHMMA-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001717208656 1180576411 /nfs/dbraw/zinc/57/64/11/1180576411.db2.gz HQOFGXYBCAHMMA-CQSZACIVSA-N 1 3 267.417 1.437 10 30 CDEEHO COc1ccc(CN2CCC[C@H](CO)C2)cc1C#CC[NH3+] ZINC000049608326 524029398 /nfs/dbraw/zinc/02/93/98/524029398.db2.gz UZKHLRNPXLFQAQ-HNNXBMFYSA-N 1 3 288.391 1.210 10 30 CDEEHO C[C@@H](C[C@](C)(N)C#N)N1CCC(C[NH+]2CCCC2)CC1 ZINC000068615382 524861227 /nfs/dbraw/zinc/86/12/27/524861227.db2.gz LBXDLBZJBCKFKO-HOCLYGCPSA-N 1 3 278.444 1.814 10 30 CDEEHO C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001689059465 1175091186 /nfs/dbraw/zinc/09/11/86/1175091186.db2.gz ZUZKZXYNAFYNIS-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000876984992 630588845 /nfs/dbraw/zinc/58/88/45/630588845.db2.gz RPJZGJWSMTXZAC-LLVKDONJSA-N 1 3 275.824 1.693 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)C[N@H+](C)CCC ZINC000876984992 630588846 /nfs/dbraw/zinc/58/88/46/630588846.db2.gz RPJZGJWSMTXZAC-LLVKDONJSA-N 1 3 275.824 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000876750682 1165910163 /nfs/dbraw/zinc/91/01/63/1165910163.db2.gz XXZSKSDWZLDBQW-MNOVXSKESA-N 1 3 261.797 1.303 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000876750682 1165910169 /nfs/dbraw/zinc/91/01/69/1165910169.db2.gz XXZSKSDWZLDBQW-MNOVXSKESA-N 1 3 261.797 1.303 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000876791261 1165916059 /nfs/dbraw/zinc/91/60/59/1165916059.db2.gz HRDZEEWPSFVGLN-GFCCVEGCSA-N 1 3 273.808 1.304 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000876833006 1165923881 /nfs/dbraw/zinc/92/38/81/1165923881.db2.gz KKZLEIIBKIRIMZ-MXWKQRLJSA-N 1 3 259.781 1.042 10 30 CDEEHO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001571494124 1170453533 /nfs/dbraw/zinc/45/35/33/1170453533.db2.gz ZVBAWAYBQPYIJL-QWHCGFSZSA-N 1 3 253.390 1.092 10 30 CDEEHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001676228952 1174194899 /nfs/dbraw/zinc/19/48/99/1174194899.db2.gz VSAWXZPCZJBENW-CVEARBPZSA-N 1 3 293.455 1.423 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001690584151 1175512919 /nfs/dbraw/zinc/51/29/19/1175512919.db2.gz GOFSOWLOLHDYNW-ZIAGYGMSSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001698919116 1175985103 /nfs/dbraw/zinc/98/51/03/1175985103.db2.gz WOBZGJRXUULXDU-CVEARBPZSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001699599990 1176493990 /nfs/dbraw/zinc/49/39/90/1176493990.db2.gz OKXTZHPRESKCCI-AWEZNQCLSA-N 1 3 276.384 1.321 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC001699602375 1176495885 /nfs/dbraw/zinc/49/58/85/1176495885.db2.gz LNSNKYJVUPJHRT-CQSZACIVSA-N 1 3 267.417 1.387 10 30 CDEEHO C=C(C)C[NH2+]CCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001700685576 1177074500 /nfs/dbraw/zinc/07/45/00/1177074500.db2.gz NFJNIQRNRXYHRX-LBPRGKRZSA-N 1 3 278.400 1.711 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001713530679 1178629328 /nfs/dbraw/zinc/62/93/28/1178629328.db2.gz KHFXGDZOCCTQAY-ZDUSSCGKSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001713530679 1178629331 /nfs/dbraw/zinc/62/93/31/1178629331.db2.gz KHFXGDZOCCTQAY-ZDUSSCGKSA-N 1 3 265.401 1.095 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001714278872 1179062271 /nfs/dbraw/zinc/06/22/71/1179062271.db2.gz PJJQXOWXQZTGCH-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001715159982 1179566414 /nfs/dbraw/zinc/56/64/14/1179566414.db2.gz IKTNAZZKJYYLES-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001717014445 1180502139 /nfs/dbraw/zinc/50/21/39/1180502139.db2.gz SIQSYIHJHUNBFA-IYBDPMFKSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CCCC[N@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001717014445 1180502144 /nfs/dbraw/zinc/50/21/44/1180502144.db2.gz SIQSYIHJHUNBFA-IYBDPMFKSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001717088382 1180527747 /nfs/dbraw/zinc/52/77/47/1180527747.db2.gz UMFBQFZXGSEXCH-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001717098778 1180530408 /nfs/dbraw/zinc/53/04/08/1180530408.db2.gz IEVAFYSMHJXLHZ-HNNXBMFYSA-N 1 3 295.471 1.979 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)C ZINC001717970664 1180952392 /nfs/dbraw/zinc/95/23/92/1180952392.db2.gz BJUJRRQXHLOSQV-AWEZNQCLSA-N 1 3 292.427 1.957 10 30 CDEEHO CC#CCN1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001723721304 1181596204 /nfs/dbraw/zinc/59/62/04/1181596204.db2.gz LNLFEJGHONZQMM-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO CC#CCN1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001723721304 1181596207 /nfs/dbraw/zinc/59/62/07/1181596207.db2.gz LNLFEJGHONZQMM-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001724604923 1181702730 /nfs/dbraw/zinc/70/27/30/1181702730.db2.gz NCFYJNHYCFMBOL-JKSUJKDBSA-N 1 3 293.455 1.588 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCC1 ZINC001724793517 1181756105 /nfs/dbraw/zinc/75/61/05/1181756105.db2.gz FTAYJPCVBPFAEY-UHFFFAOYSA-N 1 3 291.439 1.513 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001725042878 1181833308 /nfs/dbraw/zinc/83/33/08/1181833308.db2.gz QPTAIXHRGSPZOL-HOTGVXAUSA-N 1 3 293.455 1.968 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001725042878 1181833314 /nfs/dbraw/zinc/83/33/14/1181833314.db2.gz QPTAIXHRGSPZOL-HOTGVXAUSA-N 1 3 293.455 1.968 10 30 CDEEHO C=C(C)CC[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001725071886 1181845131 /nfs/dbraw/zinc/84/51/31/1181845131.db2.gz PPDGAABTVZUFAF-FHERZECASA-N 1 3 293.455 1.779 10 30 CDEEHO C#CC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732210382 1182859403 /nfs/dbraw/zinc/85/94/03/1182859403.db2.gz GLRGBEHCPGOOAH-BBRMVZONSA-N 1 3 297.418 1.317 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732908306 1183179548 /nfs/dbraw/zinc/17/95/48/1183179548.db2.gz CRNZFDYAEGKXFI-UDLYIEAKSA-N 1 3 289.423 1.289 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001732908306 1183179552 /nfs/dbraw/zinc/17/95/52/1183179552.db2.gz CRNZFDYAEGKXFI-UDLYIEAKSA-N 1 3 289.423 1.289 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001733672668 1183494500 /nfs/dbraw/zinc/49/45/00/1183494500.db2.gz CSVZGRCDISJSRX-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C#CCCN1C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001734152849 1183676970 /nfs/dbraw/zinc/67/69/70/1183676970.db2.gz MHKLEIILABWKJS-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCCN1C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001734152849 1183676973 /nfs/dbraw/zinc/67/69/73/1183676973.db2.gz MHKLEIILABWKJS-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[NH2+]CCC[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001734242546 1183702423 /nfs/dbraw/zinc/70/24/23/1183702423.db2.gz WRGRBCCSOSMING-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001734343984 1183740784 /nfs/dbraw/zinc/74/07/84/1183740784.db2.gz VKBOKGCVVMMCSG-GFCCVEGCSA-N 1 3 264.373 1.355 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877409715 1166031154 /nfs/dbraw/zinc/03/11/54/1166031154.db2.gz YUPLEBZAAJVPIE-OLZOCXBDSA-N 1 3 299.846 1.885 10 30 CDEEHO C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001569639139 1167564976 /nfs/dbraw/zinc/56/49/76/1167564976.db2.gz NDNQZJAHGINRRO-ZBFHGGJFSA-N 1 3 297.418 1.270 10 30 CDEEHO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001569639139 1167564979 /nfs/dbraw/zinc/56/49/79/1167564979.db2.gz NDNQZJAHGINRRO-ZBFHGGJFSA-N 1 3 297.418 1.270 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CC(C)C)CC1 ZINC001567082621 1168553379 /nfs/dbraw/zinc/55/33/79/1168553379.db2.gz SEPNAQMKGCLXLT-AWEZNQCLSA-N 1 3 279.428 1.082 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001266282762 894099860 /nfs/dbraw/zinc/09/98/60/894099860.db2.gz QNJBXKJNYZALRP-OAHLLOKOSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001266282762 894099877 /nfs/dbraw/zinc/09/98/77/894099877.db2.gz QNJBXKJNYZALRP-OAHLLOKOSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001268002348 900251707 /nfs/dbraw/zinc/25/17/07/900251707.db2.gz VNDIKXONJMQJGZ-UONOGXRCSA-N 1 3 269.433 1.491 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CCCC)CC1 ZINC001268016135 900301014 /nfs/dbraw/zinc/30/10/14/900301014.db2.gz ZMSQXKJEWVEANY-OAHLLOKOSA-N 1 3 293.455 1.474 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001481489001 900905057 /nfs/dbraw/zinc/90/50/57/900905057.db2.gz YKRWTRARZVUWAY-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001481489001 900905063 /nfs/dbraw/zinc/90/50/63/900905063.db2.gz YKRWTRARZVUWAY-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001268106404 901305066 /nfs/dbraw/zinc/30/50/66/901305066.db2.gz UEWWKYFSELLORE-CVEARBPZSA-N 1 3 293.455 1.613 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001268227040 901608034 /nfs/dbraw/zinc/60/80/34/901608034.db2.gz HKEQJJLVVIVUGF-CYBMUJFWSA-N 1 3 255.406 1.243 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268241017 901649860 /nfs/dbraw/zinc/64/98/60/901649860.db2.gz SXHZZEVKTUQSSX-UHFFFAOYSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001481660631 901747636 /nfs/dbraw/zinc/74/76/36/901747636.db2.gz KSKDQUDDJPXPGZ-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001268879113 903207469 /nfs/dbraw/zinc/20/74/69/903207469.db2.gz LIPMRLQYGLCRRJ-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001269278781 903643299 /nfs/dbraw/zinc/64/32/99/903643299.db2.gz PGMZBNAYDBFTAU-CYBMUJFWSA-N 1 3 265.401 1.095 10 30 CDEEHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001269331444 903701064 /nfs/dbraw/zinc/70/10/64/903701064.db2.gz KHHYUCHXENCRFT-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001270921168 905447253 /nfs/dbraw/zinc/44/72/53/905447253.db2.gz FXZPJRZHIAZQMG-OLZOCXBDSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001272974096 921289226 /nfs/dbraw/zinc/28/92/26/921289226.db2.gz MEWPHCAJWQKEFG-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001273473801 917682691 /nfs/dbraw/zinc/68/26/91/917682691.db2.gz CIAIAMZLESPVBP-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001273473801 917682701 /nfs/dbraw/zinc/68/27/01/917682701.db2.gz CIAIAMZLESPVBP-OAHLLOKOSA-N 1 3 279.428 1.321 10 30 CDEEHO CCN1CCN([C@@H](C)C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921530770 918979428 /nfs/dbraw/zinc/97/94/28/918979428.db2.gz VBOATSIXWGMEOC-ZDUSSCGKSA-N 1 3 292.452 1.735 10 30 CDEEHO CC#CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001272780857 919266064 /nfs/dbraw/zinc/26/60/64/919266064.db2.gz CHZNNYDAKVZXGS-OAHLLOKOSA-N 1 3 293.455 1.759 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001485922655 920578902 /nfs/dbraw/zinc/57/89/02/920578902.db2.gz PCDVAZZUGPJSPK-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C[C@H](C#N)OCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000394105864 936674315 /nfs/dbraw/zinc/67/43/15/936674315.db2.gz XSVAMKYQURMNFZ-CQSZACIVSA-N 1 3 265.401 1.723 10 30 CDEEHO C=CCC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001486481353 921059056 /nfs/dbraw/zinc/05/90/56/921059056.db2.gz KVDRMOQSQJTMDG-NRXISQOPSA-N 1 3 281.444 1.728 10 30 CDEEHO C#C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417600 929414696 /nfs/dbraw/zinc/41/46/96/929414696.db2.gz AYXRTPNRSWSVQM-LSDHHAIUSA-N 1 3 264.413 1.877 10 30 CDEEHO C#C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417600 929414700 /nfs/dbraw/zinc/41/47/00/929414700.db2.gz AYXRTPNRSWSVQM-LSDHHAIUSA-N 1 3 264.413 1.877 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001275143812 931678654 /nfs/dbraw/zinc/67/86/54/931678654.db2.gz QYSYEWSDACDIAX-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001275143812 931678658 /nfs/dbraw/zinc/67/86/58/931678658.db2.gz QYSYEWSDACDIAX-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO COCCN(C)CCCNC(=[NH2+])NC1CCCCC1 ZINC000303871245 935045508 /nfs/dbraw/zinc/04/55/08/935045508.db2.gz BPFKWUHFYXETCB-UHFFFAOYSA-N 1 3 270.421 1.192 10 30 CDEEHO C=C(C[NH+](C)C)C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001123941886 936251348 /nfs/dbraw/zinc/25/13/48/936251348.db2.gz BFBPVJDOKZDXLJ-AWEZNQCLSA-N 1 3 279.428 1.580 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCC1 ZINC001280480296 942451031 /nfs/dbraw/zinc/45/10/31/942451031.db2.gz JIHVWZBYGHKODK-AWEZNQCLSA-N 1 3 277.412 1.121 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001280769680 942484717 /nfs/dbraw/zinc/48/47/17/942484717.db2.gz JJIKQBNRGDMZOB-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001280769680 942484722 /nfs/dbraw/zinc/48/47/22/942484722.db2.gz JJIKQBNRGDMZOB-ZIAGYGMSSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001284132858 943086327 /nfs/dbraw/zinc/08/63/27/943086327.db2.gz SGBFGHBPPRFGAV-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001265628348 944451825 /nfs/dbraw/zinc/45/18/25/944451825.db2.gz VDGVLFSLRUQZQM-INIZCTEOSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001479723435 971384705 /nfs/dbraw/zinc/38/47/05/971384705.db2.gz KGVOWQMTSLVWKL-OLZOCXBDSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001479723435 971384709 /nfs/dbraw/zinc/38/47/09/971384709.db2.gz KGVOWQMTSLVWKL-OLZOCXBDSA-N 1 3 253.390 1.093 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001480238631 971641731 /nfs/dbraw/zinc/64/17/31/971641731.db2.gz VVGWUIHADWOBLT-BETUJISGSA-N 1 3 253.390 1.140 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493042561 971930888 /nfs/dbraw/zinc/93/08/88/971930888.db2.gz GJHSQSQZRASGHU-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001316657828 954558518 /nfs/dbraw/zinc/55/85/18/954558518.db2.gz QREVXOUFRNOREA-LSDHHAIUSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCC[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001328049505 955172912 /nfs/dbraw/zinc/17/29/12/955172912.db2.gz HJMVUUDDMDSTMN-UHFFFAOYSA-N 1 3 279.428 1.629 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001328258303 955244155 /nfs/dbraw/zinc/24/41/55/955244155.db2.gz OKYAJYGRGPGVDD-LSDHHAIUSA-N 1 3 291.439 1.463 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001328258303 955244161 /nfs/dbraw/zinc/24/41/61/955244161.db2.gz OKYAJYGRGPGVDD-LSDHHAIUSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001493874218 972131114 /nfs/dbraw/zinc/13/11/14/972131114.db2.gz AVVOTHHVYOUWEH-OAHLLOKOSA-N 1 3 281.444 1.423 10 30 CDEEHO C#CC[N@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001493874218 972131117 /nfs/dbraw/zinc/13/11/17/972131117.db2.gz AVVOTHHVYOUWEH-OAHLLOKOSA-N 1 3 281.444 1.423 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317067436 957240275 /nfs/dbraw/zinc/24/02/75/957240275.db2.gz XUVNXZOIRWQJIF-STQMWFEESA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001331929399 957343939 /nfs/dbraw/zinc/34/39/39/957343939.db2.gz QYEFVGMIQCKVRI-KGLIPLIRSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(Cl)CNC[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001367221189 957851732 /nfs/dbraw/zinc/85/17/32/957851732.db2.gz QKFYBJCPKBXERK-TZMCWYRMSA-N 1 3 299.846 1.661 10 30 CDEEHO C=C(Cl)CNC[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367221189 957851748 /nfs/dbraw/zinc/85/17/48/957851748.db2.gz QKFYBJCPKBXERK-TZMCWYRMSA-N 1 3 299.846 1.661 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001319777073 958722324 /nfs/dbraw/zinc/72/23/24/958722324.db2.gz DUPKNPHWMJWMEQ-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001322194318 960127178 /nfs/dbraw/zinc/12/71/78/960127178.db2.gz RBIQUUONOHBXNV-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001322194318 960127188 /nfs/dbraw/zinc/12/71/88/960127188.db2.gz RBIQUUONOHBXNV-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCN1CCC(NC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001336799083 960603075 /nfs/dbraw/zinc/60/30/75/960603075.db2.gz JVINYRMXDUPNEG-BBRMVZONSA-N 1 3 292.427 1.078 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341695695 963514895 /nfs/dbraw/zinc/51/48/95/963514895.db2.gz ICECBVIWKDKIHP-GARJFASQSA-N 1 3 293.333 1.408 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC001342345902 963716148 /nfs/dbraw/zinc/71/61/48/963716148.db2.gz DDAPHYBSNBKMBM-ZDUSSCGKSA-N 1 3 289.379 1.554 10 30 CDEEHO C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC001522417814 970430984 /nfs/dbraw/zinc/43/09/84/970430984.db2.gz MHDGFOITZDHZIH-IHRRRGAJSA-N 1 3 265.401 1.365 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001496370964 972901222 /nfs/dbraw/zinc/90/12/22/972901222.db2.gz XEMAPZPNLGMOBR-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001498456066 973925023 /nfs/dbraw/zinc/92/50/23/973925023.db2.gz IXQFZKOHVNZPCJ-CQSZACIVSA-N 1 3 289.423 1.984 10 30 CDEEHO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001498456066 973925032 /nfs/dbraw/zinc/92/50/32/973925032.db2.gz IXQFZKOHVNZPCJ-CQSZACIVSA-N 1 3 289.423 1.984 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001502147761 974706679 /nfs/dbraw/zinc/70/66/79/974706679.db2.gz PMWHTPSMQMPFOI-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001502147761 974706684 /nfs/dbraw/zinc/70/66/84/974706684.db2.gz PMWHTPSMQMPFOI-HNNXBMFYSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001506906009 975253234 /nfs/dbraw/zinc/25/32/34/975253234.db2.gz FPLANOYDIWRTJG-JYJNAYRXSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001674154541 1173919426 /nfs/dbraw/zinc/91/94/26/1173919426.db2.gz LZQYKLIVEUKVBK-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001674154541 1173919434 /nfs/dbraw/zinc/91/94/34/1173919434.db2.gz LZQYKLIVEUKVBK-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001570382114 1170147818 /nfs/dbraw/zinc/14/78/18/1170147818.db2.gz FFUOCKOJAZLXOK-UHFFFAOYSA-N 1 3 276.384 1.499 10 30 CDEEHO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001571023429 1170329798 /nfs/dbraw/zinc/32/97/98/1170329798.db2.gz QKCHDNVCZCAOBP-ARFHVFGLSA-N 1 3 291.439 1.177 10 30 CDEEHO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001571023429 1170329806 /nfs/dbraw/zinc/32/98/06/1170329806.db2.gz QKCHDNVCZCAOBP-ARFHVFGLSA-N 1 3 291.439 1.177 10 30 CDEEHO C[C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)C[NH+](C)C ZINC000594439460 342906601 /nfs/dbraw/zinc/90/66/01/342906601.db2.gz QRGDDYMJYUZOIA-STQMWFEESA-N 1 3 282.432 1.490 10 30 CDEEHO CC(C)C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)[NH+](C)C ZINC000594441064 342907381 /nfs/dbraw/zinc/90/73/81/342907381.db2.gz MDEUNQLHFRYUHH-KBPBESRZSA-N 1 3 282.432 1.490 10 30 CDEEHO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)CCCCC#N ZINC000594449016 342909379 /nfs/dbraw/zinc/90/93/79/342909379.db2.gz BXHFELVNMHYUIZ-AWEZNQCLSA-N 1 3 280.416 1.198 10 30 CDEEHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600729790 342245615 /nfs/dbraw/zinc/24/56/15/342245615.db2.gz HXZRZLCTQPMNQH-HUUCEWRRSA-N 1 3 279.428 1.609 10 30 CDEEHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600729790 342245616 /nfs/dbraw/zinc/24/56/16/342245616.db2.gz HXZRZLCTQPMNQH-HUUCEWRRSA-N 1 3 279.428 1.609 10 30 CDEEHO CC(C)CN1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600729790 342245617 /nfs/dbraw/zinc/24/56/17/342245617.db2.gz HXZRZLCTQPMNQH-HUUCEWRRSA-N 1 3 279.428 1.609 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000594425034 342904023 /nfs/dbraw/zinc/90/40/23/342904023.db2.gz JHDYOBYMRXXNDG-KBPBESRZSA-N 1 3 280.416 1.421 10 30 CDEEHO C[NH+](C)C1(CNC(=O)[C@@H](N)CCCCC#N)CCCCC1 ZINC000594426295 342904398 /nfs/dbraw/zinc/90/43/98/342904398.db2.gz QLDSHWOYTODOCO-AWEZNQCLSA-N 1 3 294.443 1.778 10 30 CDEEHO CN(C)CC[N@H+](C)CCCNCc1ccc(C#N)cc1F ZINC000598918433 343926371 /nfs/dbraw/zinc/92/63/71/343926371.db2.gz CRACUKXELCFISB-UHFFFAOYSA-N 1 3 292.402 1.670 10 30 CDEEHO CN(C)CC[N@@H+](C)CCCNCc1ccc(C#N)cc1F ZINC000598918433 343926373 /nfs/dbraw/zinc/92/63/73/343926373.db2.gz CRACUKXELCFISB-UHFFFAOYSA-N 1 3 292.402 1.670 10 30 CDEEHO C[NH+](C)CC1(CNC[C@H](O)CC2(C#N)CC2)CCCC1 ZINC000600733022 358706380 /nfs/dbraw/zinc/70/63/80/358706380.db2.gz AJCOKICXTPPJRR-CQSZACIVSA-N 1 3 279.428 1.753 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001662219233 1172509569 /nfs/dbraw/zinc/50/95/69/1172509569.db2.gz DOJKNFMBYHYTNH-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[C@@]1(C(=O)N[C@@H](C)CN2CCCCC2)CCC[NH2+]1 ZINC000662684335 413308021 /nfs/dbraw/zinc/30/80/21/413308021.db2.gz ZZTUITXABBOLGX-HOCLYGCPSA-N 1 3 279.428 1.675 10 30 CDEEHO CC(C)(C)N1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000043683992 175091535 /nfs/dbraw/zinc/09/15/35/175091535.db2.gz ANMSCOYUZRQZDT-UHFFFAOYSA-N 1 3 291.464 1.974 10 30 CDEEHO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(F)c(C#CCN)c1 ZINC000061652301 521841370 /nfs/dbraw/zinc/84/13/70/521841370.db2.gz SVZJDIUXNZTLPA-INIZCTEOSA-N 1 3 289.398 1.662 10 30 CDEEHO C=C(CN(C)C)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000764568825 575921334 /nfs/dbraw/zinc/92/13/34/575921334.db2.gz CKAZVASLMLPPIJ-OCCSQVGLSA-N 1 3 267.417 1.293 10 30 CDEEHO C=C(CN(C)C)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000764568825 575921336 /nfs/dbraw/zinc/92/13/36/575921336.db2.gz CKAZVASLMLPPIJ-OCCSQVGLSA-N 1 3 267.417 1.293 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1CC ZINC001689193846 1175113913 /nfs/dbraw/zinc/11/39/13/1175113913.db2.gz HLCKABWBUPTYPY-ARFHVFGLSA-N 1 3 293.455 1.565 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1CC ZINC001689193846 1175113920 /nfs/dbraw/zinc/11/39/20/1175113920.db2.gz HLCKABWBUPTYPY-ARFHVFGLSA-N 1 3 293.455 1.565 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1CC ZINC001670596526 1158654578 /nfs/dbraw/zinc/65/45/78/1158654578.db2.gz WLQKTBQOGCVFRK-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000876730778 1165903632 /nfs/dbraw/zinc/90/36/32/1165903632.db2.gz AFFZWVKCLBZNIP-ZDUSSCGKSA-N 1 3 287.835 1.789 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000876791262 1165916496 /nfs/dbraw/zinc/91/64/96/1165916496.db2.gz HRDZEEWPSFVGLN-LBPRGKRZSA-N 1 3 273.808 1.304 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1C[NH2+]C ZINC000876946279 1165946063 /nfs/dbraw/zinc/94/60/63/1165946063.db2.gz PWYJJKUSGDKBSS-CYBMUJFWSA-N 1 3 281.787 1.492 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000877010241 1165958792 /nfs/dbraw/zinc/95/87/92/1165958792.db2.gz QRWYDFXDTOJXER-BFHYXJOUSA-N 1 3 293.798 1.328 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C(C)C ZINC001568450934 1169294144 /nfs/dbraw/zinc/29/41/44/1169294144.db2.gz FPTWPVMOWMTYNO-LSDHHAIUSA-N 1 3 279.428 1.223 10 30 CDEEHO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001570634649 1170217483 /nfs/dbraw/zinc/21/74/83/1170217483.db2.gz XGJSCBLQMJTVAQ-OLZOCXBDSA-N 1 3 267.417 1.080 10 30 CDEEHO C#CCC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001571558833 1170477233 /nfs/dbraw/zinc/47/72/33/1170477233.db2.gz RNMLNMAVBDTDFG-GJZGRUSLSA-N 1 3 293.455 1.423 10 30 CDEEHO C=C(C)C[N@H+](CCCNC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001660749615 1172270740 /nfs/dbraw/zinc/27/07/40/1172270740.db2.gz RDQNXIMEMYAKHI-UHFFFAOYSA-N 1 3 290.411 1.807 10 30 CDEEHO C=C(C)C[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001660749615 1172270748 /nfs/dbraw/zinc/27/07/48/1172270748.db2.gz RDQNXIMEMYAKHI-UHFFFAOYSA-N 1 3 290.411 1.807 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001668062065 1173365621 /nfs/dbraw/zinc/36/56/21/1173365621.db2.gz ZBLRLXCDJNUCRN-ZIAGYGMSSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001669399602 1173546498 /nfs/dbraw/zinc/54/64/98/1173546498.db2.gz FZXLEBJSGYSPLZ-DOMZBBRYSA-N 1 3 285.407 1.479 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672209496 1173752173 /nfs/dbraw/zinc/75/21/73/1173752173.db2.gz OZHBTBJZVPFARO-LSDHHAIUSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001690157062 1175390268 /nfs/dbraw/zinc/39/02/68/1175390268.db2.gz XFDXDUXKUNPGBM-HNNXBMFYSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001690471869 1175478799 /nfs/dbraw/zinc/47/87/99/1175478799.db2.gz WUAUQWYBAHTJDH-AWEZNQCLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)C[NH2+]C1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001690544277 1175491238 /nfs/dbraw/zinc/49/12/38/1175491238.db2.gz HGGOCLKYXBRMSH-NRXISQOPSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CCC[NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001698714400 1175901777 /nfs/dbraw/zinc/90/17/77/1175901777.db2.gz IVTYDVKPSFYCEG-HDJSIYSDSA-N 1 3 288.395 1.301 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001698766640 1175924341 /nfs/dbraw/zinc/92/43/41/1175924341.db2.gz PBGQMAPLWNJLLX-HZPDHXFCSA-N 1 3 293.455 1.616 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001698990310 1176017423 /nfs/dbraw/zinc/01/74/23/1176017423.db2.gz ZCLDUCYXQUEMAP-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001698990310 1176017434 /nfs/dbraw/zinc/01/74/34/1176017434.db2.gz ZCLDUCYXQUEMAP-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001699970010 1176702334 /nfs/dbraw/zinc/70/23/34/1176702334.db2.gz NTLFAOSHANUZRN-LSDHHAIUSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001716623102 1180311996 /nfs/dbraw/zinc/31/19/96/1180311996.db2.gz BODBGRCOPKFVDH-GOEBONIOSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001716695589 1180375153 /nfs/dbraw/zinc/37/51/53/1180375153.db2.gz HUNWKWQPDIGDEB-OAHLLOKOSA-N 1 3 291.439 1.511 10 30 CDEEHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001716877110 1180450202 /nfs/dbraw/zinc/45/02/02/1180450202.db2.gz WRORBSWXWXUBHF-OAHLLOKOSA-N 1 3 276.384 1.357 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001716888722 1180454331 /nfs/dbraw/zinc/45/43/31/1180454331.db2.gz IRQLSWMSNZYYBR-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO C#CCN1CCC(C)(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001716888722 1180454336 /nfs/dbraw/zinc/45/43/36/1180454336.db2.gz IRQLSWMSNZYYBR-UHFFFAOYSA-N 1 3 293.455 1.570 10 30 CDEEHO C=C(C)CC[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001717703687 1180796706 /nfs/dbraw/zinc/79/67/06/1180796706.db2.gz LOYPZFHJAFFFKI-UHFFFAOYSA-N 1 3 290.411 1.841 10 30 CDEEHO C=C(C)CC[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001717703687 1180796713 /nfs/dbraw/zinc/79/67/13/1180796713.db2.gz LOYPZFHJAFFFKI-UHFFFAOYSA-N 1 3 290.411 1.841 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001723302179 1181535153 /nfs/dbraw/zinc/53/51/53/1181535153.db2.gz RMUYUTWRMQIEKG-LSDHHAIUSA-N 1 3 279.428 1.531 10 30 CDEEHO C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001732049357 1182741214 /nfs/dbraw/zinc/74/12/14/1182741214.db2.gz QIXMULFILUVUBJ-HUUCEWRRSA-N 1 3 297.418 1.128 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001732049357 1182741217 /nfs/dbraw/zinc/74/12/17/1182741217.db2.gz QIXMULFILUVUBJ-HUUCEWRRSA-N 1 3 297.418 1.128 10 30 CDEEHO C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732436841 1182965217 /nfs/dbraw/zinc/96/52/17/1182965217.db2.gz JQYVFFBAUSKSJS-XJKSGUPXSA-N 1 3 299.434 1.821 10 30 CDEEHO CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001733177640 1183319100 /nfs/dbraw/zinc/31/91/00/1183319100.db2.gz SKSPEDCVUFAWSG-HNNXBMFYSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001733876051 1183557120 /nfs/dbraw/zinc/55/71/20/1183557120.db2.gz SOHSLABGCOPJQE-HNNXBMFYSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001733876051 1183557124 /nfs/dbraw/zinc/55/71/24/1183557124.db2.gz SOHSLABGCOPJQE-HNNXBMFYSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001733984746 1183601861 /nfs/dbraw/zinc/60/18/61/1183601861.db2.gz MNMYYEZKLDUSKM-UONOGXRCSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000876739883 783631382 /nfs/dbraw/zinc/63/13/82/783631382.db2.gz JUMMRFHACIYKQL-STQMWFEESA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000876739883 783631408 /nfs/dbraw/zinc/63/14/08/783631408.db2.gz JUMMRFHACIYKQL-STQMWFEESA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000876541905 784280355 /nfs/dbraw/zinc/28/03/55/784280355.db2.gz LSPUNASTSCQGDA-MNOVXSKESA-N 1 3 261.797 1.288 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](N)c1ccccc1OC ZINC000876506068 785860313 /nfs/dbraw/zinc/86/03/13/785860313.db2.gz DITHHEUYOOTJOR-NWDGAFQWSA-N 1 3 297.786 1.281 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000876851789 785865466 /nfs/dbraw/zinc/86/54/66/785865466.db2.gz OCMNHFSUIHJBBN-SRVKXCTJSA-N 1 3 273.808 1.338 10 30 CDEEHO C[NH+]=C(NC1CCC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261972819 787354300 /nfs/dbraw/zinc/35/43/00/787354300.db2.gz NDYFMQRONZCJPV-WCQYABFASA-N 1 3 252.406 1.433 10 30 CDEEHO C#CCC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855347236 787817874 /nfs/dbraw/zinc/81/78/74/787817874.db2.gz ZEZYWRVMWLECAT-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO C#CCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855347236 787817875 /nfs/dbraw/zinc/81/78/75/787817875.db2.gz ZEZYWRVMWLECAT-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@H](N)CCCC#N ZINC000867988096 788445481 /nfs/dbraw/zinc/44/54/81/788445481.db2.gz UDGACUQJJIDBEG-OCCSQVGLSA-N 1 3 286.379 1.833 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000876937453 789811128 /nfs/dbraw/zinc/81/11/28/789811128.db2.gz WZTPURBHZMHIRC-KGLIPLIRSA-N 1 3 293.798 1.541 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001266549993 895323525 /nfs/dbraw/zinc/32/35/25/895323525.db2.gz QLSYLUCFSBUXPI-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001266611348 895556745 /nfs/dbraw/zinc/55/67/45/895556745.db2.gz GOJZXXAOQYBPGL-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[N@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001266611348 895556747 /nfs/dbraw/zinc/55/67/47/895556747.db2.gz GOJZXXAOQYBPGL-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001267145105 896913881 /nfs/dbraw/zinc/91/38/81/896913881.db2.gz NJMYTLZBPSUULX-HUUCEWRRSA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267306691 897547232 /nfs/dbraw/zinc/54/72/32/897547232.db2.gz KITQHNMBLQTHRV-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267306691 897547216 /nfs/dbraw/zinc/54/72/16/897547216.db2.gz KITQHNMBLQTHRV-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001267310160 897560613 /nfs/dbraw/zinc/56/06/13/897560613.db2.gz RFELXSJPMXMIGJ-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001267310160 897560623 /nfs/dbraw/zinc/56/06/23/897560623.db2.gz RFELXSJPMXMIGJ-CQSZACIVSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CCNCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001567588345 1168875813 /nfs/dbraw/zinc/87/58/13/1168875813.db2.gz FNRGRUCXGGWWSS-UHFFFAOYSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001567633660 1168898222 /nfs/dbraw/zinc/89/82/22/1168898222.db2.gz MKBPXMMZZJFDAM-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+]C[C@@](C)(NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001267858043 899883850 /nfs/dbraw/zinc/88/38/50/899883850.db2.gz LIFASBJXIGHAHV-WMLDXEAASA-N 1 3 291.439 1.226 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1CCCC1 ZINC001270413022 904619940 /nfs/dbraw/zinc/61/99/40/904619940.db2.gz JDLVAWCSQRZEIU-HUUCEWRRSA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001482392895 905289819 /nfs/dbraw/zinc/28/98/19/905289819.db2.gz JXPGFXFBKVGMAB-HZPDHXFCSA-N 1 3 293.455 1.472 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001482437008 905407797 /nfs/dbraw/zinc/40/77/97/905407797.db2.gz XMUSPKCGXGAJNY-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001271923273 906985260 /nfs/dbraw/zinc/98/52/60/906985260.db2.gz SODRUIGFVXFLGG-KBPBESRZSA-N 1 3 267.417 1.080 10 30 CDEEHO C=CC[NH2+]C[C@@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001568021446 1169121364 /nfs/dbraw/zinc/12/13/64/1169121364.db2.gz DCPQUXFMZBONKN-MRXNPFEDSA-N 1 3 279.428 1.531 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001507426103 911112144 /nfs/dbraw/zinc/11/21/44/911112144.db2.gz FVYAIQMEIXXQPA-HUUCEWRRSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCN1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001484068947 915398526 /nfs/dbraw/zinc/39/85/26/915398526.db2.gz WCRAYBHKPADOPW-HNNXBMFYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001485311547 916793365 /nfs/dbraw/zinc/79/33/65/916793365.db2.gz BLXQEXRBLZIAKN-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001485311547 916793375 /nfs/dbraw/zinc/79/33/75/916793375.db2.gz BLXQEXRBLZIAKN-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001568331150 1169251527 /nfs/dbraw/zinc/25/15/27/1169251527.db2.gz MFTVAGUWBFQZSC-HNNXBMFYSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001274393877 931496889 /nfs/dbraw/zinc/49/68/89/931496889.db2.gz SNZXAOPAHQDTRY-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001490856938 934561172 /nfs/dbraw/zinc/56/11/72/934561172.db2.gz VDSCTKMSZDGPGE-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001265708312 944477081 /nfs/dbraw/zinc/47/70/81/944477081.db2.gz MKXKGUPVTFMWOE-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001265708312 944477088 /nfs/dbraw/zinc/47/70/88/944477088.db2.gz MKXKGUPVTFMWOE-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001279098073 948839682 /nfs/dbraw/zinc/83/96/82/948839682.db2.gz YUTJETMSTKFKAF-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001278592826 950316998 /nfs/dbraw/zinc/31/69/98/950316998.db2.gz GSHMVNJTJVYJBF-LSDHHAIUSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@H](C)CC)CC1 ZINC001569099270 1169645007 /nfs/dbraw/zinc/64/50/07/1169645007.db2.gz XHLLTWAPLSZJBE-CABCVRRESA-N 1 3 293.455 1.472 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001325434305 953901246 /nfs/dbraw/zinc/90/12/46/953901246.db2.gz AGMGUNAZLNLIHF-CABCVRRESA-N 1 3 295.471 1.977 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493297957 972009320 /nfs/dbraw/zinc/00/93/20/972009320.db2.gz ZFUNKMAYPQSGEZ-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001493297957 972009325 /nfs/dbraw/zinc/00/93/25/972009325.db2.gz ZFUNKMAYPQSGEZ-MRXNPFEDSA-N 1 3 293.455 1.712 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001328281653 955250619 /nfs/dbraw/zinc/25/06/19/955250619.db2.gz DONPZPIAYJZOPC-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001491599578 955306835 /nfs/dbraw/zinc/30/68/35/955306835.db2.gz ADBBNJOOYPRCGZ-UONOGXRCSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CC[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCCC1 ZINC001329845390 956139825 /nfs/dbraw/zinc/13/98/25/956139825.db2.gz FFFBLJWXDHHTRT-OAHLLOKOSA-N 1 3 293.455 1.923 10 30 CDEEHO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001331327348 956971654 /nfs/dbraw/zinc/97/16/54/956971654.db2.gz YWZUDWHHMFRZTP-OAHLLOKOSA-N 1 3 293.455 1.424 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001317348816 957433364 /nfs/dbraw/zinc/43/33/64/957433364.db2.gz CPPQGRINRCSJGK-CABCVRRESA-N 1 3 291.439 1.511 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1CCC)C(C)(C)C ZINC001332806590 957851716 /nfs/dbraw/zinc/85/17/16/957851716.db2.gz LQAQIZSHFOJOJP-GJZGRUSLSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001333319181 958246271 /nfs/dbraw/zinc/24/62/71/958246271.db2.gz BODVIXYNDSVBSM-GFCCVEGCSA-N 1 3 267.760 1.231 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001319778520 958722789 /nfs/dbraw/zinc/72/27/89/958722789.db2.gz MNNQWWGFKMFKLL-HNNXBMFYSA-N 1 3 290.411 1.889 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001320465126 959188828 /nfs/dbraw/zinc/18/88/28/959188828.db2.gz XGIUQNXRPPTQJD-NWDGAFQWSA-N 1 3 275.824 1.564 10 30 CDEEHO C=C(C)C[NH2+]C/C=C/CNC(=O)CN(C)C(C)C ZINC001321421589 959777819 /nfs/dbraw/zinc/77/78/19/959777819.db2.gz WSJGPAYLRAYSLW-VOTSOKGWSA-N 1 3 253.390 1.165 10 30 CDEEHO C=CCCC[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001321947305 960025400 /nfs/dbraw/zinc/02/54/00/960025400.db2.gz QGJPXNMGGUHZKP-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@](C)(C[NH3+])CC(C)C)CC1 ZINC001340077882 962730860 /nfs/dbraw/zinc/73/08/60/962730860.db2.gz SQMVORKDKXKTJJ-INIZCTEOSA-N 1 3 281.444 1.764 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001441365087 964479212 /nfs/dbraw/zinc/47/92/12/964479212.db2.gz LLPRUKSNSVETDJ-AVGNSLFASA-N 1 3 285.819 1.175 10 30 CDEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001441365087 964479218 /nfs/dbraw/zinc/47/92/18/964479218.db2.gz LLPRUKSNSVETDJ-AVGNSLFASA-N 1 3 285.819 1.175 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001522669769 970533127 /nfs/dbraw/zinc/53/31/27/970533127.db2.gz ZAYBRQRBMMIGHU-STQMWFEESA-N 1 3 253.390 1.271 10 30 CDEEHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001496361017 972898200 /nfs/dbraw/zinc/89/82/00/972898200.db2.gz UVWFRXAMSXTODD-CABCVRRESA-N 1 3 293.455 1.424 10 30 CDEEHO CC#CCNC1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001499462040 974258026 /nfs/dbraw/zinc/25/80/26/974258026.db2.gz WXSIKAVJNFVQER-ZIAGYGMSSA-N 1 3 277.412 1.121 10 30 CDEEHO C=CC[NH2+][C@H](C)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001507159978 975359609 /nfs/dbraw/zinc/35/96/09/975359609.db2.gz ADZUTPOQZPSGND-CQSZACIVSA-N 1 3 289.423 1.984 10 30 CDEEHO C=CCN(C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001674953307 1174044026 /nfs/dbraw/zinc/04/40/26/1174044026.db2.gz HFCICGYVJOYTRL-CYBMUJFWSA-N 1 3 265.401 1.237 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001570736371 1170262293 /nfs/dbraw/zinc/26/22/93/1170262293.db2.gz WNWXXPIYUBPDNM-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001570736371 1170262298 /nfs/dbraw/zinc/26/22/98/1170262298.db2.gz WNWXXPIYUBPDNM-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001570932634 1170322041 /nfs/dbraw/zinc/32/20/41/1170322041.db2.gz VTCDRZGEUUMGSV-QKDCVEJESA-N 1 3 291.439 1.341 10 30 CDEEHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001570932634 1170322052 /nfs/dbraw/zinc/32/20/52/1170322052.db2.gz VTCDRZGEUUMGSV-QKDCVEJESA-N 1 3 291.439 1.341 10 30 CDEEHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H](N)CCCCC#N ZINC000594440060 342907073 /nfs/dbraw/zinc/90/70/73/342907073.db2.gz YWXMLKQMEHWNOG-HUUCEWRRSA-N 1 3 294.443 1.730 10 30 CDEEHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H](N)CCCCC#N ZINC000594440060 342907074 /nfs/dbraw/zinc/90/70/74/342907074.db2.gz YWXMLKQMEHWNOG-HUUCEWRRSA-N 1 3 294.443 1.730 10 30 CDEEHO CN1CC[C@@]2(CC[N@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292096414 198161593 /nfs/dbraw/zinc/16/15/93/198161593.db2.gz HILHZNPNXNUDKC-QGZVFWFLSA-N 1 3 285.391 1.965 10 30 CDEEHO CN1CC[C@@]2(CC[N@@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292096414 198161595 /nfs/dbraw/zinc/16/15/95/198161595.db2.gz HILHZNPNXNUDKC-QGZVFWFLSA-N 1 3 285.391 1.965 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001660476875 1172219872 /nfs/dbraw/zinc/21/98/72/1172219872.db2.gz ZOVBFXLSPAEQOW-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528396927 367824656 /nfs/dbraw/zinc/82/46/56/367824656.db2.gz QDNOVWAOBQVKQL-UONOGXRCSA-N 1 3 265.401 1.315 10 30 CDEEHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528396927 367824659 /nfs/dbraw/zinc/82/46/59/367824659.db2.gz QDNOVWAOBQVKQL-UONOGXRCSA-N 1 3 265.401 1.315 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@H]2CCCN2CC)CCC[NH2+]1 ZINC000662661193 413264824 /nfs/dbraw/zinc/26/48/24/413264824.db2.gz MIUXJPZPNHPCCE-UKRRQHHQSA-N 1 3 265.401 1.285 10 30 CDEEHO C=CCCn1cc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000657504753 414404602 /nfs/dbraw/zinc/40/46/02/414404602.db2.gz NGHAFIORVZJOJP-XBXGTLAGSA-N 1 3 263.389 1.284 10 30 CDEEHO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(C#CCN)s1 ZINC000043684115 175093235 /nfs/dbraw/zinc/09/32/35/175093235.db2.gz XIBRSZSZMNTLRE-VXGBXAGGSA-N 1 3 291.420 1.144 10 30 CDEEHO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(C#CCN)s1 ZINC000043684115 175093236 /nfs/dbraw/zinc/09/32/36/175093236.db2.gz XIBRSZSZMNTLRE-VXGBXAGGSA-N 1 3 291.420 1.144 10 30 CDEEHO CN(C)C1CC[NH+](CCCC[C@](C)(N)C#N)CC1 ZINC000045311135 175356513 /nfs/dbraw/zinc/35/65/13/175356513.db2.gz NRRWTICRNRMKLD-AWEZNQCLSA-N 1 3 252.406 1.424 10 30 CDEEHO CN1CC[C@H](C[N@H+](C)Cc2cc(C#CCO)cs2)C1 ZINC000071190485 176066759 /nfs/dbraw/zinc/06/67/59/176066759.db2.gz YAPLJVQIVRBCIG-AWEZNQCLSA-N 1 3 278.421 1.475 10 30 CDEEHO CN1CC[C@H](C[N@@H+](C)Cc2cc(C#CCO)cs2)C1 ZINC000071190485 176066760 /nfs/dbraw/zinc/06/67/60/176066760.db2.gz YAPLJVQIVRBCIG-AWEZNQCLSA-N 1 3 278.421 1.475 10 30 CDEEHO C=CC[C@@]1(C(=O)N(C)CCN2CCCCC2)CCC[NH2+]1 ZINC000662833742 424515707 /nfs/dbraw/zinc/51/57/07/424515707.db2.gz QHYSJTGIBFCZDL-INIZCTEOSA-N 1 3 279.428 1.629 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672805806 1173800653 /nfs/dbraw/zinc/80/06/53/1173800653.db2.gz PULGCVKYTLFMOL-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000424167556 330309899 /nfs/dbraw/zinc/30/98/99/330309899.db2.gz CRCFYHXPJPBSCO-YJNKXOJESA-N 1 3 250.386 1.794 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424167556 330309900 /nfs/dbraw/zinc/30/99/00/330309900.db2.gz CRCFYHXPJPBSCO-YJNKXOJESA-N 1 3 250.386 1.794 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424167556 330309901 /nfs/dbraw/zinc/30/99/01/330309901.db2.gz CRCFYHXPJPBSCO-YJNKXOJESA-N 1 3 250.386 1.794 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001716482969 1180244223 /nfs/dbraw/zinc/24/42/23/1180244223.db2.gz VTWISJXPELGLPZ-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001716482969 1180244227 /nfs/dbraw/zinc/24/42/27/1180244227.db2.gz VTWISJXPELGLPZ-AWEZNQCLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001732600276 1183041927 /nfs/dbraw/zinc/04/19/27/1183041927.db2.gz MXSLGETWPVCDAH-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001732600276 1183041935 /nfs/dbraw/zinc/04/19/35/1183041935.db2.gz MXSLGETWPVCDAH-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccccc1C#CCN ZINC000061655672 521865705 /nfs/dbraw/zinc/86/57/05/521865705.db2.gz URXCCQSNJMYNEW-OAHLLOKOSA-N 1 3 285.391 1.163 10 30 CDEEHO C[C@@H]1CC[N@H+](CCOc2ccc(C#CCN)cc2)C1 ZINC000049609452 524504440 /nfs/dbraw/zinc/50/44/40/524504440.db2.gz HWPKLHLCOGYFHC-CQSZACIVSA-N 1 3 258.365 1.717 10 30 CDEEHO C[C@@H]1CC[N@@H+](CCOc2ccc(C#CCN)cc2)C1 ZINC000049609452 524504443 /nfs/dbraw/zinc/50/44/43/524504443.db2.gz HWPKLHLCOGYFHC-CQSZACIVSA-N 1 3 258.365 1.717 10 30 CDEEHO NCC#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000049609777 527153571 /nfs/dbraw/zinc/15/35/71/527153571.db2.gz MZLWUINDZOLCFR-MRXNPFEDSA-N 1 3 258.365 1.344 10 30 CDEEHO NCC#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CO ZINC000049609777 527153577 /nfs/dbraw/zinc/15/35/77/527153577.db2.gz MZLWUINDZOLCFR-MRXNPFEDSA-N 1 3 258.365 1.344 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218753 613784632 /nfs/dbraw/zinc/78/46/32/613784632.db2.gz YYVXXHGXGUPCHO-KGLIPLIRSA-N 1 3 279.428 1.341 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218753 613784636 /nfs/dbraw/zinc/78/46/36/613784636.db2.gz YYVXXHGXGUPCHO-KGLIPLIRSA-N 1 3 279.428 1.341 10 30 CDEEHO C=CC(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000895665704 619793870 /nfs/dbraw/zinc/79/38/70/619793870.db2.gz FGHGPPQCELYAMS-ZDUSSCGKSA-N 1 3 284.448 1.522 10 30 CDEEHO C=CC(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000895665704 619793875 /nfs/dbraw/zinc/79/38/75/619793875.db2.gz FGHGPPQCELYAMS-ZDUSSCGKSA-N 1 3 284.448 1.522 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000876799551 630569631 /nfs/dbraw/zinc/56/96/31/630569631.db2.gz HLFFNUREONJGPI-YFKTTZPYSA-N 1 3 271.792 1.042 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001772515996 1158543875 /nfs/dbraw/zinc/54/38/75/1158543875.db2.gz GAFGPWNDVOJOFX-LSDHHAIUSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001772515996 1158543877 /nfs/dbraw/zinc/54/38/77/1158543877.db2.gz GAFGPWNDVOJOFX-LSDHHAIUSA-N 1 3 279.428 1.130 10 30 CDEEHO C=CCN1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001266488097 1158557154 /nfs/dbraw/zinc/55/71/54/1158557154.db2.gz CDXLGQXUWUXMDR-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO C#CCCN(C)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001700976229 1160196042 /nfs/dbraw/zinc/19/60/42/1160196042.db2.gz LHQHCAUOEPOEJY-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCCN(C)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001700976229 1160196045 /nfs/dbraw/zinc/19/60/45/1160196045.db2.gz LHQHCAUOEPOEJY-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000876950619 1165947782 /nfs/dbraw/zinc/94/77/82/1165947782.db2.gz QXNHMACVHINTFC-NSHDSACASA-N 1 3 259.781 1.044 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001692135449 1175680616 /nfs/dbraw/zinc/68/06/16/1175680616.db2.gz VBCWUTLETWDTPJ-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001698597360 1175862901 /nfs/dbraw/zinc/86/29/01/1175862901.db2.gz QCSGPIGHLPGMGV-CABCVRRESA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCC(C)C)CC1 ZINC001699388368 1176346034 /nfs/dbraw/zinc/34/60/34/1176346034.db2.gz QWUOIFDJSVNUNL-OAHLLOKOSA-N 1 3 293.455 1.472 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001699743906 1176600552 /nfs/dbraw/zinc/60/05/52/1176600552.db2.gz RNYVIEWLLRRNGV-LSDHHAIUSA-N 1 3 279.428 1.319 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001699949081 1176692951 /nfs/dbraw/zinc/69/29/51/1176692951.db2.gz BKPJXHXMUULQGF-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001700187140 1176789420 /nfs/dbraw/zinc/78/94/20/1176789420.db2.gz JTHWAJFQFPJITA-CVEARBPZSA-N 1 3 291.439 1.417 10 30 CDEEHO C#CCN(C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001700187140 1176789427 /nfs/dbraw/zinc/78/94/27/1176789427.db2.gz JTHWAJFQFPJITA-CVEARBPZSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CC[NH2+]C1(CC)CCN(C(=O)CN(C)CCC)CC1 ZINC001700222942 1176805984 /nfs/dbraw/zinc/80/59/84/1176805984.db2.gz QWYXHEJHMWNOKF-UHFFFAOYSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001715225981 1179585355 /nfs/dbraw/zinc/58/53/55/1179585355.db2.gz DTPMTXNURVUTMB-GJZGRUSLSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001715648269 1179751927 /nfs/dbraw/zinc/75/19/27/1179751927.db2.gz ZIVYBZFFUUHCDW-LSDHHAIUSA-N 1 3 281.444 1.635 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001716660072 1180345449 /nfs/dbraw/zinc/34/54/49/1180345449.db2.gz LKGNGXSAXDKJNX-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001731715469 1182526430 /nfs/dbraw/zinc/52/64/30/1182526430.db2.gz UORGHIWLZMZQBU-CQSZACIVSA-N 1 3 276.384 1.451 10 30 CDEEHO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001731715469 1182526435 /nfs/dbraw/zinc/52/64/35/1182526435.db2.gz UORGHIWLZMZQBU-CQSZACIVSA-N 1 3 276.384 1.451 10 30 CDEEHO C#CCNCCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731925027 1182682073 /nfs/dbraw/zinc/68/20/73/1182682073.db2.gz DJKUBNHFXGEIQP-UHFFFAOYSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CCNCCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001731925027 1182682078 /nfs/dbraw/zinc/68/20/78/1182682078.db2.gz DJKUBNHFXGEIQP-UHFFFAOYSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001734076415 1183648477 /nfs/dbraw/zinc/64/84/77/1183648477.db2.gz BUODKESNPVZBMO-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001734263352 1183707619 /nfs/dbraw/zinc/70/76/19/1183707619.db2.gz OYECBOBJWSBLSE-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO CC#CC[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001734268793 1183709136 /nfs/dbraw/zinc/70/91/36/1183709136.db2.gz AXJSGOWTQKDXTE-UHFFFAOYSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CC[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001734268793 1183709137 /nfs/dbraw/zinc/70/91/37/1183709137.db2.gz AXJSGOWTQKDXTE-UHFFFAOYSA-N 1 3 291.439 1.417 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@@H+](CC)CCC ZINC000876777995 790265324 /nfs/dbraw/zinc/26/53/24/790265324.db2.gz WEOCJQLCLSIYBW-NSHDSACASA-N 1 3 261.797 1.304 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@H+](CC)CCC ZINC000876777995 790265335 /nfs/dbraw/zinc/26/53/35/790265335.db2.gz WEOCJQLCLSIYBW-NSHDSACASA-N 1 3 261.797 1.304 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000877146548 790996628 /nfs/dbraw/zinc/99/66/28/790996628.db2.gz JORCZJORDWUINC-ZDUSSCGKSA-N 1 3 299.846 1.933 10 30 CDEEHO C[NH+]=C(NCc1cc(C)no1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000245583417 791072975 /nfs/dbraw/zinc/07/29/75/791072975.db2.gz DGBDNCAKHULQDQ-BXUZGUMPSA-N 1 3 293.415 1.377 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000876766945 790015833 /nfs/dbraw/zinc/01/58/33/790015833.db2.gz WUVPDGRTTKZTEV-RYUDHWBXSA-N 1 3 273.808 1.447 10 30 CDEEHO CC[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261977932 790143693 /nfs/dbraw/zinc/14/36/93/790143693.db2.gz OEDAKYCDRVQQQZ-QLFBSQMISA-N 1 3 296.459 1.449 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000876946665 791606878 /nfs/dbraw/zinc/60/68/78/791606878.db2.gz NZGAMSOTVKJLGA-GVXVVHGQSA-N 1 3 271.792 1.044 10 30 CDEEHO C#CC[C@@H]1CCCN(CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000829768714 792819864 /nfs/dbraw/zinc/81/98/64/792819864.db2.gz IWRBDYDZXCZXPM-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000876728844 792904721 /nfs/dbraw/zinc/90/47/21/792904721.db2.gz XSTAQHRAATVRFE-NWDGAFQWSA-N 1 3 273.808 1.257 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000876728844 792904707 /nfs/dbraw/zinc/90/47/07/792904707.db2.gz XSTAQHRAATVRFE-NWDGAFQWSA-N 1 3 273.808 1.257 10 30 CDEEHO N#CC1CCC(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000931067307 794595411 /nfs/dbraw/zinc/59/54/11/794595411.db2.gz PGNWOMCJJWVRQV-DQPZFDDXSA-N 1 3 291.439 1.847 10 30 CDEEHO N#CC1CCC(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000931067307 794595425 /nfs/dbraw/zinc/59/54/25/794595425.db2.gz PGNWOMCJJWVRQV-DQPZFDDXSA-N 1 3 291.439 1.847 10 30 CDEEHO C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261944230 794820825 /nfs/dbraw/zinc/82/08/25/794820825.db2.gz FGVZBYPJWJWEGB-MELADBBJSA-N 1 3 282.432 1.059 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000876787329 795074907 /nfs/dbraw/zinc/07/49/07/795074907.db2.gz GYXSMRXTEDJBNX-MBYGNEARSA-N 1 3 271.792 1.198 10 30 CDEEHO C=CC[C@@]1(C(=O)N2CCN(C)C(C)(C)CC2)CCC[NH2+]1 ZINC000877206121 795556781 /nfs/dbraw/zinc/55/67/81/795556781.db2.gz DBNSCBHWNLILAC-INIZCTEOSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001566910424 1168042017 /nfs/dbraw/zinc/04/20/17/1168042017.db2.gz SOAMFDJYEJQDJK-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001566827377 1168434961 /nfs/dbraw/zinc/43/49/61/1168434961.db2.gz QRCMSZZLTMMLFG-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001566827377 1168434966 /nfs/dbraw/zinc/43/49/66/1168434966.db2.gz QRCMSZZLTMMLFG-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001566839053 1168439497 /nfs/dbraw/zinc/43/94/97/1168439497.db2.gz LMJRXFFROSPZBQ-ZNMIVQPWSA-N 1 3 279.428 1.672 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266545960 895300895 /nfs/dbraw/zinc/30/08/95/895300895.db2.gz RWTFEWLPCCOBPF-UONOGXRCSA-N 1 3 267.417 1.197 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266545960 895300911 /nfs/dbraw/zinc/30/09/11/895300911.db2.gz RWTFEWLPCCOBPF-UONOGXRCSA-N 1 3 267.417 1.197 10 30 CDEEHO C#CCN1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001266769456 896010503 /nfs/dbraw/zinc/01/05/03/896010503.db2.gz AFRHYUNVSPQQPR-MRXNPFEDSA-N 1 3 291.439 1.324 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)C[C@@H](C)CC)CC1 ZINC001480951321 898110900 /nfs/dbraw/zinc/11/09/00/898110900.db2.gz XARQGDAHNMGVSB-HNNXBMFYSA-N 1 3 293.455 1.426 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)C[C@@H](C)CC)CC1 ZINC001480951321 898110914 /nfs/dbraw/zinc/11/09/14/898110914.db2.gz 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ZINC001481461401 900767317 /nfs/dbraw/zinc/76/73/17/900767317.db2.gz BYWRTVPBPJZHRF-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCN1CCC ZINC001269413449 903790941 /nfs/dbraw/zinc/79/09/41/903790941.db2.gz VAAUVQCRBGCTNY-LSDHHAIUSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001270193779 904430529 /nfs/dbraw/zinc/43/05/29/904430529.db2.gz MIOXBXZDRNVAAT-KRWDZBQOSA-N 1 3 299.418 1.576 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001485092586 916505554 /nfs/dbraw/zinc/50/55/54/916505554.db2.gz RMPFTEAWSRVHKI-BLYZHGLHSA-N 1 3 299.846 1.564 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001485092586 916505570 /nfs/dbraw/zinc/50/55/70/916505570.db2.gz RMPFTEAWSRVHKI-BLYZHGLHSA-N 1 3 299.846 1.564 10 30 CDEEHO C=C(C)CN1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001485515953 917055003 /nfs/dbraw/zinc/05/50/03/917055003.db2.gz HCYHDXBMVAEOBL-CYBMUJFWSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390718814 919319902 /nfs/dbraw/zinc/31/99/02/919319902.db2.gz KYMAERBFIRRIDX-VXGBXAGGSA-N 1 3 273.808 1.175 10 30 CDEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390718814 919319924 /nfs/dbraw/zinc/31/99/24/919319924.db2.gz KYMAERBFIRRIDX-VXGBXAGGSA-N 1 3 273.808 1.175 10 30 CDEEHO C#CCN1CCC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001491119192 936861300 /nfs/dbraw/zinc/86/13/00/936861300.db2.gz CAJINWZOOKFVLQ-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C(C)C ZINC001568464448 1169300948 /nfs/dbraw/zinc/30/09/48/1169300948.db2.gz WKTVNDVAZPXHAX-HZPDHXFCSA-N 1 3 293.455 1.615 10 30 CDEEHO CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001274392816 931496664 /nfs/dbraw/zinc/49/66/64/931496664.db2.gz AHIUAQURPMGPHZ-OAHLLOKOSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001276147783 932567188 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C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001281047159 942531096 /nfs/dbraw/zinc/53/10/96/942531096.db2.gz SOAYUEWMPDLLBL-OAHLLOKOSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001281101423 942535886 /nfs/dbraw/zinc/53/58/86/942535886.db2.gz TXSCKOCDJHZKPB-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001281101423 942535888 /nfs/dbraw/zinc/53/58/88/942535888.db2.gz TXSCKOCDJHZKPB-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001281967728 942638585 /nfs/dbraw/zinc/63/85/85/942638585.db2.gz IVDNZAQWLSHZGJ-CQSZACIVSA-N 1 3 267.417 1.435 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001281967728 942638591 /nfs/dbraw/zinc/63/85/91/942638591.db2.gz IVDNZAQWLSHZGJ-CQSZACIVSA-N 1 3 267.417 1.435 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001284248136 943131069 /nfs/dbraw/zinc/13/10/69/943131069.db2.gz SXPRBGQEDFMYRX-KBPBESRZSA-N 1 3 267.417 1.387 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001265072880 944220099 /nfs/dbraw/zinc/22/00/99/944220099.db2.gz INXJQGGUSURIEJ-MRXNPFEDSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265589565 944437821 /nfs/dbraw/zinc/43/78/21/944437821.db2.gz VJLBXKIUORFPJO-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001265932374 944580029 /nfs/dbraw/zinc/58/00/29/944580029.db2.gz LVPRVLIJPKIUHH-JKSUJKDBSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001266144442 944713044 /nfs/dbraw/zinc/71/30/44/944713044.db2.gz RNBGTBAIDYKCEP-HNNXBMFYSA-N 1 3 293.455 1.759 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CCC)C1 ZINC001479407975 971321775 /nfs/dbraw/zinc/32/17/75/971321775.db2.gz GHCIMWPTHLODSI-HDJSIYSDSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001479735827 971390449 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C#CC[NH2+]C1(C)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001328035611 955167177 /nfs/dbraw/zinc/16/71/77/955167177.db2.gz RTHBYCMJEVHIID-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001493667649 972097006 /nfs/dbraw/zinc/09/70/06/972097006.db2.gz UOTMEHQHOJGQJU-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001493667649 972097010 /nfs/dbraw/zinc/09/70/10/972097010.db2.gz UOTMEHQHOJGQJU-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001492128656 955640708 /nfs/dbraw/zinc/64/07/08/955640708.db2.gz AEJZBEWXZHKQBQ-KGLIPLIRSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001494136698 972183571 /nfs/dbraw/zinc/18/35/71/972183571.db2.gz GJVHUXFYWXNPSM-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001494136698 972183575 /nfs/dbraw/zinc/18/35/75/972183575.db2.gz GJVHUXFYWXNPSM-HNNXBMFYSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CCN[C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001331648806 957186582 /nfs/dbraw/zinc/18/65/82/957186582.db2.gz QPDWHHTZHHQZOW-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317061780 957238231 /nfs/dbraw/zinc/23/82/31/957238231.db2.gz IXLPHYSFGRHXDL-SOUVJXGZSA-N 1 3 279.428 1.626 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001319946054 958806051 /nfs/dbraw/zinc/80/60/51/958806051.db2.gz WUVGTMNRIHUCOZ-GJZGRUSLSA-N 1 3 279.428 1.082 10 30 CDEEHO C#CCC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)N(C)C ZINC001320844003 959419045 /nfs/dbraw/zinc/41/90/45/959419045.db2.gz MNCIYXSAKUSVFQ-CQSZACIVSA-N 1 3 267.417 1.034 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321066224 959570275 /nfs/dbraw/zinc/57/02/75/959570275.db2.gz ZBQBZEAUCLOMGI-BQYQJAHWSA-N 1 3 291.439 1.536 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001321097538 959588792 /nfs/dbraw/zinc/58/87/92/959588792.db2.gz OZKGLXJPSMPZBU-YVACAVLKSA-N 1 3 277.412 1.146 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001321097538 959588805 /nfs/dbraw/zinc/58/88/05/959588805.db2.gz OZKGLXJPSMPZBU-YVACAVLKSA-N 1 3 277.412 1.146 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001420014177 962343115 /nfs/dbraw/zinc/34/31/15/962343115.db2.gz LMQHQPHKQDOICS-CYBMUJFWSA-N 1 3 287.835 1.517 10 30 CDEEHO C#CCN(C(=O)[C@@H](C)CC[NH+](C)C)C1CCN(C)CC1 ZINC001558506908 965303993 /nfs/dbraw/zinc/30/39/93/965303993.db2.gz JZURLQSLTUAABD-AWEZNQCLSA-N 1 3 279.428 1.130 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001497816543 973533700 /nfs/dbraw/zinc/53/37/00/973533700.db2.gz SWDRDXYQXVQZJS-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001500356030 974426548 /nfs/dbraw/zinc/42/65/48/974426548.db2.gz JFQUYEIMJZYHIK-ZBFHGGJFSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001502360720 974724985 /nfs/dbraw/zinc/72/49/85/974724985.db2.gz XMRVDVFUPLYOOJ-UHFFFAOYSA-N 1 3 293.455 1.664 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001507121819 975345127 /nfs/dbraw/zinc/34/51/27/975345127.db2.gz JNLHENHPTKJCPM-HUUCEWRRSA-N 1 3 283.460 1.975 10 30 CDEEHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001571048638 1170331859 /nfs/dbraw/zinc/33/18/59/1170331859.db2.gz HNLCHKPTABXSHF-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001571048638 1170331871 /nfs/dbraw/zinc/33/18/71/1170331871.db2.gz HNLCHKPTABXSHF-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001571512366 1170458678 /nfs/dbraw/zinc/45/86/78/1170458678.db2.gz FOEHHVIBYDPXDP-HRCADAONSA-N 1 3 293.455 1.729 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC(C)(C)C1 ZINC001657105741 1171931004 /nfs/dbraw/zinc/93/10/04/1171931004.db2.gz BLRAEDNBHPWZFV-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CC[N@H+](C)CC)CC(C)(C)C1 ZINC001657105741 1171931010 /nfs/dbraw/zinc/93/10/10/1171931010.db2.gz BLRAEDNBHPWZFV-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](N)CCCCC#N ZINC000594440967 342907392 /nfs/dbraw/zinc/90/73/92/342907392.db2.gz KFKANCJTINUMHH-KGLIPLIRSA-N 1 3 282.432 1.490 10 30 CDEEHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594450285 342909914 /nfs/dbraw/zinc/90/99/14/342909914.db2.gz WRNJUESVKRSIKA-AWEZNQCLSA-N 1 3 274.368 1.804 10 30 CDEEHO C[NH+](C)C1(CNC(=O)[C@H](N)CCCCC#N)CCCCC1 ZINC000594426296 342904414 /nfs/dbraw/zinc/90/44/14/342904414.db2.gz QLDSHWOYTODOCO-CQSZACIVSA-N 1 3 294.443 1.778 10 30 CDEEHO CC#CC[N@H+](CC)CCCNC(=O)CN(C)C1CCC1 ZINC001660536920 1172231490 /nfs/dbraw/zinc/23/14/90/1172231490.db2.gz NUPQALPAGVZQEZ-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO CC#CC[N@@H+](CC)CCCNC(=O)CN(C)C1CCC1 ZINC001660536920 1172231499 /nfs/dbraw/zinc/23/14/99/1172231499.db2.gz NUPQALPAGVZQEZ-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CCC[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001660775770 1172274897 /nfs/dbraw/zinc/27/48/97/1172274897.db2.gz GCRRREIXMDRLKR-UHFFFAOYSA-N 1 3 291.439 1.417 10 30 CDEEHO COC[C@H](CCC[NH3+])NCc1ccc(C#N)c(OC)c1 ZINC000423120427 392958523 /nfs/dbraw/zinc/95/85/23/392958523.db2.gz GMWGHABPLYQIAJ-AWEZNQCLSA-N 1 3 277.368 1.410 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@@H]2CCCCN2CC)CCC[NH2+]1 ZINC000662717098 413372078 /nfs/dbraw/zinc/37/20/78/413372078.db2.gz XEEAFSCDABFTCW-HOCLYGCPSA-N 1 3 279.428 1.675 10 30 CDEEHO C=CC[C@]1(C(=O)Nc2cnc3c(c2)CNCC3)CCC[NH2+]1 ZINC000662764869 413458768 /nfs/dbraw/zinc/45/87/68/413458768.db2.gz SSRMQFUGRYGXLE-MRXNPFEDSA-N 1 3 286.379 1.364 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001665800119 1173063115 /nfs/dbraw/zinc/06/31/15/1173063115.db2.gz YXFVVJFBIMOKRD-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@]2(N(C)C)CCSC2)CCC[NH2+]1 ZINC000662683131 424313168 /nfs/dbraw/zinc/31/31/68/424313168.db2.gz WOFRDHAUDWHKCP-HUUCEWRRSA-N 1 3 297.468 1.238 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001699526851 1159942686 /nfs/dbraw/zinc/94/26/86/1159942686.db2.gz BOICPGJXBLZUNG-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001482555866 1160390363 /nfs/dbraw/zinc/39/03/63/1160390363.db2.gz CXOAMKOULXLXLN-HZPDHXFCSA-N 1 3 293.455 1.613 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001715500401 1179684981 /nfs/dbraw/zinc/68/49/81/1179684981.db2.gz FXVXSDMVDARNOM-HNNXBMFYSA-N 1 3 295.471 1.718 10 30 CDEEHO CCN[C@@](C)(C#N)C[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000068612673 520130395 /nfs/dbraw/zinc/13/03/95/520130395.db2.gz PJVOFFRQDHQPQZ-GOEBONIOSA-N 1 3 280.460 1.930 10 30 CDEEHO C[N@H+](CCOc1ccc(C#CCN)cc1)[C@H]1CCSC1 ZINC000049608994 522904515 /nfs/dbraw/zinc/90/45/15/522904515.db2.gz RODVNKNPDSWJFU-HNNXBMFYSA-N 1 3 290.432 1.813 10 30 CDEEHO C[N@@H+](CCOc1ccc(C#CCN)cc1)[C@H]1CCSC1 ZINC000049608994 522904524 /nfs/dbraw/zinc/90/45/24/522904524.db2.gz RODVNKNPDSWJFU-HNNXBMFYSA-N 1 3 290.432 1.813 10 30 CDEEHO C[N@H+](Cc1ccccc1C#CCN)C1CCOCC1 ZINC000049609336 523357173 /nfs/dbraw/zinc/35/71/73/523357173.db2.gz XNRFYAZMNBKHOP-UHFFFAOYSA-N 1 3 258.365 1.608 10 30 CDEEHO C[N@@H+](Cc1ccccc1C#CCN)C1CCOCC1 ZINC000049609336 523357177 /nfs/dbraw/zinc/35/71/77/523357177.db2.gz XNRFYAZMNBKHOP-UHFFFAOYSA-N 1 3 258.365 1.608 10 30 CDEEHO [NH3+]CC#Cc1ccc(CN2CCCC[C@@H]2CCO)c(F)c1 ZINC000049608680 527149192 /nfs/dbraw/zinc/14/91/92/527149192.db2.gz NDGMLHRWPWPNKR-MRXNPFEDSA-N 1 3 290.382 1.873 10 30 CDEEHO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001690183504 1175397072 /nfs/dbraw/zinc/39/70/72/1175397072.db2.gz ANVYOBHQNXWYLL-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001690183504 1175397078 /nfs/dbraw/zinc/39/70/78/1175397078.db2.gz ANVYOBHQNXWYLL-CVEARBPZSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCN1CC[C@H](N2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000903791093 626088915 /nfs/dbraw/zinc/08/89/15/626088915.db2.gz MGXTZXZKOFKPPU-AWEZNQCLSA-N 1 3 279.428 1.470 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000913815904 630794924 /nfs/dbraw/zinc/79/49/24/630794924.db2.gz UIESULRFFYKNDU-KGLIPLIRSA-N 1 3 265.401 1.189 10 30 CDEEHO C#CCC[NH2+]C1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001266912109 1158982311 /nfs/dbraw/zinc/98/23/11/1158982311.db2.gz UCZBEEJHDVTXFA-YMAMQOFZSA-N 1 3 279.428 1.367 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001724742413 1158624871 /nfs/dbraw/zinc/62/48/71/1158624871.db2.gz AACAQRHXNCKMBL-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001567177173 1168607655 /nfs/dbraw/zinc/60/76/55/1168607655.db2.gz SKRRMQIAYCFUKC-UONOGXRCSA-N 1 3 288.395 1.301 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001570609135 1170210780 /nfs/dbraw/zinc/21/07/80/1170210780.db2.gz XSRVMKNKRPIVQN-RYUDHWBXSA-N 1 3 253.390 1.140 10 30 CDEEHO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001571180325 1170342714 /nfs/dbraw/zinc/34/27/14/1170342714.db2.gz BENDQGAQBYXGNW-MGPQQGTHSA-N 1 3 267.417 1.243 10 30 CDEEHO CC#CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001571567257 1170479312 /nfs/dbraw/zinc/47/93/12/1170479312.db2.gz KFKBXXDIRKTLOO-GJZGRUSLSA-N 1 3 293.455 1.423 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001650426076 1171058840 /nfs/dbraw/zinc/05/88/40/1171058840.db2.gz ZPTKEDFORVUYOI-NSHDSACASA-N 1 3 275.824 1.503 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001664722246 1172898858 /nfs/dbraw/zinc/89/88/58/1172898858.db2.gz RLUIFLSDYGQLSW-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001664722246 1172898868 /nfs/dbraw/zinc/89/88/68/1172898868.db2.gz RLUIFLSDYGQLSW-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001669955823 1173638144 /nfs/dbraw/zinc/63/81/44/1173638144.db2.gz KTIMYKNMMXUOLB-GJZGRUSLSA-N 1 3 293.455 1.921 10 30 CDEEHO CC#CCN1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001671900593 1173721030 /nfs/dbraw/zinc/72/10/30/1173721030.db2.gz CYKFJNWHMSARGT-INIZCTEOSA-N 1 3 279.428 1.180 10 30 CDEEHO C=CCC[NH+]1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001692312166 1175734035 /nfs/dbraw/zinc/73/40/35/1175734035.db2.gz HQVOTQOACZSBMX-UHFFFAOYSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CC[NH2+]C[C@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001699851430 1176654895 /nfs/dbraw/zinc/65/48/95/1176654895.db2.gz HZCIPTPHKNSHOI-KRWDZBQOSA-N 1 3 291.439 1.180 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001707080929 1177944576 /nfs/dbraw/zinc/94/45/76/1177944576.db2.gz AHAGRPVGCKRZFV-JYJNAYRXSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001713423236 1178553244 /nfs/dbraw/zinc/55/32/44/1178553244.db2.gz MGQQEYDZFYIFJB-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CCCN1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001714623147 1179275121 /nfs/dbraw/zinc/27/51/21/1179275121.db2.gz VXOAIHDGIYPJSD-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001714804907 1179406066 /nfs/dbraw/zinc/40/60/66/1179406066.db2.gz LMJOQZANYCEXLI-ZBFHGGJFSA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](F)CN(CC)CC ZINC001715337389 1179631349 /nfs/dbraw/zinc/63/13/49/1179631349.db2.gz IAPQABNDMVRYPK-KBPBESRZSA-N 1 3 285.407 1.126 10 30 CDEEHO C=C(C)C[NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1 ZINC001716357296 1180166834 /nfs/dbraw/zinc/16/68/34/1180166834.db2.gz LETTVVYFXUWEIM-PLNGDYQASA-N 1 3 279.428 1.556 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)C(C)(C)C1 ZINC001724969383 1181811437 /nfs/dbraw/zinc/81/14/37/1181811437.db2.gz HRYMGBCRHAJBFR-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)C(C)(C)C1 ZINC001724969383 1181811440 /nfs/dbraw/zinc/81/14/40/1181811440.db2.gz HRYMGBCRHAJBFR-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCN1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001734147148 1183675690 /nfs/dbraw/zinc/67/56/90/1183675690.db2.gz ZOLSOTHAKXGDCI-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001734147148 1183675691 /nfs/dbraw/zinc/67/56/91/1183675691.db2.gz ZOLSOTHAKXGDCI-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001734196745 1183687179 /nfs/dbraw/zinc/68/71/79/1183687179.db2.gz DOAGNCHYPOSBRO-UHFFFAOYSA-N 1 3 279.428 1.439 10 30 CDEEHO C=CC[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001734585125 1183834347 /nfs/dbraw/zinc/83/43/47/1183834347.db2.gz YQVHTBBOWORVLJ-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CN1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316993029 957192869 /nfs/dbraw/zinc/19/28/69/957192869.db2.gz WYZGVVWGLRXTKU-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=C(C)CN1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001316993029 957192881 /nfs/dbraw/zinc/19/28/81/957192881.db2.gz WYZGVVWGLRXTKU-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000876840432 1165925036 /nfs/dbraw/zinc/92/50/36/1165925036.db2.gz SASKEUQXCPTOKH-BFHYXJOUSA-N 1 3 293.798 1.410 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000876941927 1165944740 /nfs/dbraw/zinc/94/47/40/1165944740.db2.gz NERZZMBCRRNTMJ-AKJDGMEZSA-N 1 3 271.792 1.186 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000876979554 1165952609 /nfs/dbraw/zinc/95/26/09/1165952609.db2.gz JYDZVTFDEZHTSR-KBPBESRZSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876979554 1165952616 /nfs/dbraw/zinc/95/26/16/1165952616.db2.gz JYDZVTFDEZHTSR-KBPBESRZSA-N 1 3 299.846 1.695 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000876850872 796875656 /nfs/dbraw/zinc/87/56/56/796875656.db2.gz DFMJELYDVIZUMS-YPMHNXCESA-N 1 3 271.792 1.058 10 30 CDEEHO C=CCNC(=O)[C@@H](C)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000714448269 797470032 /nfs/dbraw/zinc/47/00/32/797470032.db2.gz RYJSUUKROYRLCA-GFCCVEGCSA-N 1 3 267.417 1.374 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877151189 797861242 /nfs/dbraw/zinc/86/12/42/797861242.db2.gz HMMGFROILZMXNK-GHMZBOCLSA-N 1 3 273.808 1.351 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000876773027 798000773 /nfs/dbraw/zinc/00/07/73/798000773.db2.gz LWRNGBAKANXLKH-KGLIPLIRSA-N 1 3 299.846 1.791 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001641720032 1167132165 /nfs/dbraw/zinc/13/21/65/1167132165.db2.gz NYUZTMRZAMQUIF-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001641720032 1167132173 /nfs/dbraw/zinc/13/21/73/1167132173.db2.gz NYUZTMRZAMQUIF-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001568685410 1167539328 /nfs/dbraw/zinc/53/93/28/1167539328.db2.gz WZMFHTUTVKHOBV-HUUCEWRRSA-N 1 3 279.428 1.367 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001566465216 1168289199 /nfs/dbraw/zinc/28/91/99/1168289199.db2.gz KEIUUUPYTJOUDD-JKSUJKDBSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001566465216 1168289207 /nfs/dbraw/zinc/28/92/07/1168289207.db2.gz KEIUUUPYTJOUDD-JKSUJKDBSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001567177154 1168606886 /nfs/dbraw/zinc/60/68/86/1168606886.db2.gz SKRRMQIAYCFUKC-KBPBESRZSA-N 1 3 288.395 1.301 10 30 CDEEHO C=C(C)C[NH2+]C1CCC(NC(=O)CN(C)CCC)CC1 ZINC001266915973 896333864 /nfs/dbraw/zinc/33/38/64/896333864.db2.gz HKRNFGXUTXFDJS-UHFFFAOYSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001267045125 896626753 /nfs/dbraw/zinc/62/67/53/896626753.db2.gz NIXDLYUXFJYSED-HNNXBMFYSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001267373093 897748978 /nfs/dbraw/zinc/74/89/78/897748978.db2.gz MPSZPPFQELLZLP-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001267373093 897748989 /nfs/dbraw/zinc/74/89/89/897748989.db2.gz MPSZPPFQELLZLP-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001272625137 914209678 /nfs/dbraw/zinc/20/96/78/914209678.db2.gz SDMRSMJFWSVUBF-HZPDHXFCSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CC(C)C)CC1 ZINC001480951299 898110157 /nfs/dbraw/zinc/11/01/57/898110157.db2.gz VZXVCRRYMZBKON-UHFFFAOYSA-N 1 3 279.428 1.036 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CC(C)C)CC1 ZINC001480951299 898110170 /nfs/dbraw/zinc/11/01/70/898110170.db2.gz VZXVCRRYMZBKON-UHFFFAOYSA-N 1 3 279.428 1.036 10 30 CDEEHO C=CC[N@@H+](C)CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001267604282 898792647 /nfs/dbraw/zinc/79/26/47/898792647.db2.gz LVZJGPWCMAJEQB-UHFFFAOYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CC[N@H+](C)CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001267604282 898792655 /nfs/dbraw/zinc/79/26/55/898792655.db2.gz LVZJGPWCMAJEQB-UHFFFAOYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001268137760 901384781 /nfs/dbraw/zinc/38/47/81/901384781.db2.gz LCWDHOLTDABXRS-HIFRSBDPSA-N 1 3 290.411 1.745 10 30 CDEEHO C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001268404207 902003533 /nfs/dbraw/zinc/00/35/33/902003533.db2.gz RPKKBDLETWEQPH-HOTGVXAUSA-N 1 3 293.455 1.757 10 30 CDEEHO CN(C)C1(CNC(=[NH2+])NC2CC2)CCCCCC1 ZINC000261891540 903920537 /nfs/dbraw/zinc/92/05/37/903920537.db2.gz TZJVNZMVACMWJF-UHFFFAOYSA-N 1 3 252.406 1.708 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001269790714 904117238 /nfs/dbraw/zinc/11/72/38/904117238.db2.gz KBPIZBSOFHBKIO-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001271294644 906231963 /nfs/dbraw/zinc/23/19/63/906231963.db2.gz RDHJRMIFNHEGET-JKSUJKDBSA-N 1 3 295.471 1.716 10 30 CDEEHO CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001272043743 907685503 /nfs/dbraw/zinc/68/55/03/907685503.db2.gz NIIFBHXURMPARD-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001272043743 907685513 /nfs/dbraw/zinc/68/55/13/907685513.db2.gz NIIFBHXURMPARD-HZPDHXFCSA-N 1 3 291.439 1.417 10 30 CDEEHO C=CC[N@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716648 916073858 /nfs/dbraw/zinc/07/38/58/916073858.db2.gz OYIMVFYIGQMTQH-AWEZNQCLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716648 916073873 /nfs/dbraw/zinc/07/38/73/916073873.db2.gz OYIMVFYIGQMTQH-AWEZNQCLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCOCC1 ZINC001484870415 916219774 /nfs/dbraw/zinc/21/97/74/916219774.db2.gz DEOLJCIKMNITHD-CQSZACIVSA-N 1 3 297.443 1.158 10 30 CDEEHO C=CC[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001485882914 920543470 /nfs/dbraw/zinc/54/34/70/920543470.db2.gz XOKMTOPMWSZOQW-LBPRGKRZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001490902738 936685120 /nfs/dbraw/zinc/68/51/20/936685120.db2.gz RIRAETHUHJYQMG-KKUMJFAQSA-N 1 3 281.444 1.776 10 30 CDEEHO C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001486441675 921021834 /nfs/dbraw/zinc/02/18/34/921021834.db2.gz VJDMINXLDXTIGV-UKRRQHHQSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001491260862 936886031 /nfs/dbraw/zinc/88/60/31/936886031.db2.gz ASEMKLPJQRZZMY-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO CC#CCN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001491538084 936930031 /nfs/dbraw/zinc/93/00/31/936930031.db2.gz IUTGYMWEZFDSOQ-HNNXBMFYSA-N 1 3 293.455 1.616 10 30 CDEEHO C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001488683886 926648655 /nfs/dbraw/zinc/64/86/55/926648655.db2.gz PBUDIORITCOOPO-GJZGRUSLSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001488683886 926648659 /nfs/dbraw/zinc/64/86/59/926648659.db2.gz PBUDIORITCOOPO-GJZGRUSLSA-N 1 3 279.428 1.437 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)CN(C)C(C)C)C1CC1 ZINC001490393009 927147301 /nfs/dbraw/zinc/14/73/01/927147301.db2.gz KGJPVCLNVFMDII-UHFFFAOYSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)CN(C)C(C)C)C1CC1 ZINC001490393009 927147308 /nfs/dbraw/zinc/14/73/08/927147308.db2.gz KGJPVCLNVFMDII-UHFFFAOYSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001490708239 927293965 /nfs/dbraw/zinc/29/39/65/927293965.db2.gz AQUZCKKLWSBVNY-ZFWWWQNUSA-N 1 3 279.428 1.389 10 30 CDEEHO C=CC[C@H](CO)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925628327 932917777 /nfs/dbraw/zinc/91/77/77/932917777.db2.gz CWBRNHBCVORJPF-RFQIPJPRSA-N 1 3 252.402 1.537 10 30 CDEEHO CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001568700155 1169436754 /nfs/dbraw/zinc/43/67/54/1169436754.db2.gz LISFHBMXLYMJTJ-UONOGXRCSA-N 1 3 267.417 1.080 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001282400874 942707349 /nfs/dbraw/zinc/70/73/49/942707349.db2.gz CHHBOCHGIBZYEJ-KBPBESRZSA-N 1 3 267.417 1.032 10 30 CDEEHO C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001282400874 942707352 /nfs/dbraw/zinc/70/73/52/942707352.db2.gz CHHBOCHGIBZYEJ-KBPBESRZSA-N 1 3 267.417 1.032 10 30 CDEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001263819346 943987621 /nfs/dbraw/zinc/98/76/21/943987621.db2.gz SBDBIOQWGVLEII-HUUCEWRRSA-N 1 3 281.444 1.681 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001265508845 944412898 /nfs/dbraw/zinc/41/28/98/944412898.db2.gz NCEBESITAIBSDI-QAQDUYKDSA-N 1 3 299.418 1.622 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001265931134 944578572 /nfs/dbraw/zinc/57/85/72/944578572.db2.gz YOVCHAGAMKDOQF-KGLIPLIRSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266116339 944690385 /nfs/dbraw/zinc/69/03/85/944690385.db2.gz JQCSQSLXMGXKAI-CVEARBPZSA-N 1 3 293.455 1.519 10 30 CDEEHO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266116339 944690391 /nfs/dbraw/zinc/69/03/91/944690391.db2.gz JQCSQSLXMGXKAI-CVEARBPZSA-N 1 3 293.455 1.519 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001479675002 971362843 /nfs/dbraw/zinc/36/28/43/971362843.db2.gz ZWVUZLAUAZQMBE-CVEARBPZSA-N 1 3 293.455 1.683 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001479675002 971362849 /nfs/dbraw/zinc/36/28/49/971362849.db2.gz ZWVUZLAUAZQMBE-CVEARBPZSA-N 1 3 293.455 1.683 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479737488 971390472 /nfs/dbraw/zinc/39/04/72/971390472.db2.gz IMFLIONXIKQWHW-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CCC[NH+]1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001479889056 971470869 /nfs/dbraw/zinc/47/08/69/971470869.db2.gz TVIPBVHHHPKABZ-UHFFFAOYSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001279038197 948634652 /nfs/dbraw/zinc/63/46/52/948634652.db2.gz FUBKXYNHSFCDCC-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001480256880 971649618 /nfs/dbraw/zinc/64/96/18/971649618.db2.gz ILFAJBTUEYLHLR-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001480256880 971649620 /nfs/dbraw/zinc/64/96/20/971649620.db2.gz ILFAJBTUEYLHLR-UONOGXRCSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001493334038 972018672 /nfs/dbraw/zinc/01/86/72/972018672.db2.gz LCRIXXVOZRWMTJ-HOTGVXAUSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001492176350 955669581 /nfs/dbraw/zinc/66/95/81/955669581.db2.gz XGZXMKKORPDWBX-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)N(C)C ZINC001492176350 955669593 /nfs/dbraw/zinc/66/95/93/955669593.db2.gz XGZXMKKORPDWBX-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001330000280 956228348 /nfs/dbraw/zinc/22/83/48/956228348.db2.gz OTQXDYOWBKXCLN-CYBMUJFWSA-N 1 3 279.428 1.483 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001316850219 956284670 /nfs/dbraw/zinc/28/46/70/956284670.db2.gz AYHPBNWZDKXMAJ-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)CC[N@H+](C)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001316850219 956284684 /nfs/dbraw/zinc/28/46/84/956284684.db2.gz AYHPBNWZDKXMAJ-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001316806679 957030199 /nfs/dbraw/zinc/03/01/99/957030199.db2.gz LEQZCNFPHVTYGA-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001316806679 957030212 /nfs/dbraw/zinc/03/02/12/957030212.db2.gz LEQZCNFPHVTYGA-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001332516132 957602230 /nfs/dbraw/zinc/60/22/30/957602230.db2.gz JVCSAQHNNHQMKL-KGLIPLIRSA-N 1 3 265.401 1.271 10 30 CDEEHO C=CC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)N(C)C ZINC001321350691 959737306 /nfs/dbraw/zinc/73/73/06/959737306.db2.gz OYZUMVLNZINCRP-SBDDDAINSA-N 1 3 253.390 1.021 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001436952325 962522159 /nfs/dbraw/zinc/52/21/59/962522159.db2.gz INIZVBJLXRKLFB-HZSPNIEDSA-N 1 3 299.846 1.850 10 30 CDEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001436952325 962522175 /nfs/dbraw/zinc/52/21/75/962522175.db2.gz INIZVBJLXRKLFB-HZSPNIEDSA-N 1 3 299.846 1.850 10 30 CDEEHO C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001438427891 963445629 /nfs/dbraw/zinc/44/56/29/963445629.db2.gz DULJPOQPUWIJKS-DOMZBBRYSA-N 1 3 299.846 1.565 10 30 CDEEHO C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001438427891 963445634 /nfs/dbraw/zinc/44/56/34/963445634.db2.gz DULJPOQPUWIJKS-DOMZBBRYSA-N 1 3 299.846 1.565 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001497484393 973362857 /nfs/dbraw/zinc/36/28/57/973362857.db2.gz MJNZCNNJYGWTEV-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001498484360 973946356 /nfs/dbraw/zinc/94/63/56/973946356.db2.gz JBKZYIOZYQJALA-HUUCEWRRSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001498504662 973952236 /nfs/dbraw/zinc/95/22/36/973952236.db2.gz PASAGJVTNXRCHN-HUUCEWRRSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H](CC)N(C)C ZINC001498641599 974008966 /nfs/dbraw/zinc/00/89/66/974008966.db2.gz IWCSLKNSCGAIMR-LBPRGKRZSA-N 1 3 275.824 1.517 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001503463612 974821830 /nfs/dbraw/zinc/82/18/30/974821830.db2.gz TXRFYFHNRKJRGK-UONOGXRCSA-N 1 3 269.433 1.633 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000594443624 342908213 /nfs/dbraw/zinc/90/82/13/342908213.db2.gz GDUXMGOHELVYGD-CABCVRRESA-N 1 3 292.427 1.246 10 30 CDEEHO C[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CC[NH3+] ZINC000594454116 342911162 /nfs/dbraw/zinc/91/11/62/342911162.db2.gz TYNDOECTADRUMN-MGPQQGTHSA-N 1 3 280.416 1.374 10 30 CDEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(C#N)CCCC1 ZINC000597943079 343674958 /nfs/dbraw/zinc/67/49/58/343674958.db2.gz TYKQQWXZZZMDLQ-AWEZNQCLSA-N 1 3 294.443 1.459 10 30 CDEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(C#N)CCCC1 ZINC000597943079 343674960 /nfs/dbraw/zinc/67/49/60/343674960.db2.gz TYKQQWXZZZMDLQ-AWEZNQCLSA-N 1 3 294.443 1.459 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236660843 390918059 /nfs/dbraw/zinc/91/80/59/390918059.db2.gz QKYXNXDAEZWEEB-KBMXLJTQSA-N 1 3 291.439 1.674 10 30 CDEEHO C=CC[C@]1(C(=O)N2CCC[C@@H](N(C)C)C2)CCC[NH2+]1 ZINC000662713786 413368994 /nfs/dbraw/zinc/36/89/94/413368994.db2.gz YTRYVJIFAHWQPT-UKRRQHHQSA-N 1 3 265.401 1.237 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001666619534 1173162006 /nfs/dbraw/zinc/16/20/06/1173162006.db2.gz FEISMGQBHUJCSA-CQSZACIVSA-N 1 3 281.444 1.330 10 30 CDEEHO C=CC[C@]1(C(=O)N(C)CCN2CCCCC2)CCC[NH2+]1 ZINC000662833744 424515432 /nfs/dbraw/zinc/51/54/32/424515432.db2.gz QHYSJTGIBFCZDL-MRXNPFEDSA-N 1 3 279.428 1.629 10 30 CDEEHO C=CCCCN(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000121094149 267553396 /nfs/dbraw/zinc/55/33/96/267553396.db2.gz JLJZAKBWFJGPCN-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO CN(C)C(=[NH2+])NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000262424023 330009515 /nfs/dbraw/zinc/00/95/15/330009515.db2.gz CCECYKDZRQZSED-UHFFFAOYSA-N 1 3 292.349 1.668 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000262491852 330017358 /nfs/dbraw/zinc/01/73/58/330017358.db2.gz JKPJTJZFDPBZOT-MXASKKJJSA-N 1 3 298.434 1.713 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731791875 1182583612 /nfs/dbraw/zinc/58/36/12/1182583612.db2.gz MOSBNKUBBWFITK-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001733065429 1183273005 /nfs/dbraw/zinc/27/30/05/1183273005.db2.gz IILIIWQBQLRGMR-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001733065429 1183273010 /nfs/dbraw/zinc/27/30/10/1183273010.db2.gz IILIIWQBQLRGMR-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000334892429 526429229 /nfs/dbraw/zinc/42/92/29/526429229.db2.gz NGPDCXJSKPCSPF-ZFWWWQNUSA-N 1 3 292.427 1.030 10 30 CDEEHO C=CC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903151770 625877441 /nfs/dbraw/zinc/87/74/41/625877441.db2.gz KERIEWYIQOPHJX-YPRXJGMQSA-N 1 3 250.386 1.671 10 30 CDEEHO C=CC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151770 625877442 /nfs/dbraw/zinc/87/74/42/625877442.db2.gz KERIEWYIQOPHJX-YPRXJGMQSA-N 1 3 250.386 1.671 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000876533307 1165865525 /nfs/dbraw/zinc/86/55/25/1165865525.db2.gz HUVWLZMVCHZBPF-MXWKQRLJSA-N 1 3 259.781 1.042 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000876555075 1165870732 /nfs/dbraw/zinc/87/07/32/1165870732.db2.gz LDGJOJHQJIRYLL-LBPRGKRZSA-N 1 3 287.835 1.837 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000876869092 1165929813 /nfs/dbraw/zinc/92/98/13/1165929813.db2.gz PYMOTIJOOYYHID-AGIUHOORSA-N 1 3 285.819 1.304 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000876933266 1165942905 /nfs/dbraw/zinc/94/29/05/1165942905.db2.gz KRORINWIZWJODC-GFCCVEGCSA-N 1 3 267.760 1.862 10 30 CDEEHO C#C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000877635891 1166070556 /nfs/dbraw/zinc/07/05/56/1166070556.db2.gz HHPCUFWTUAYRGK-QEJZJMRPSA-N 1 3 250.386 1.487 10 30 CDEEHO C#C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000877635891 1166070563 /nfs/dbraw/zinc/07/05/63/1166070563.db2.gz HHPCUFWTUAYRGK-QEJZJMRPSA-N 1 3 250.386 1.487 10 30 CDEEHO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001566694851 1168388547 /nfs/dbraw/zinc/38/85/47/1168388547.db2.gz OZBAADJDNWUNNY-OAHLLOKOSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001569829365 1170009061 /nfs/dbraw/zinc/00/90/61/1170009061.db2.gz XULGVSKEPAIXIT-KGLIPLIRSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001570608079 1170209204 /nfs/dbraw/zinc/20/92/04/1170209204.db2.gz MVWBULZXSSYRDB-KGLIPLIRSA-N 1 3 281.444 1.920 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)(C)C ZINC001571624917 1170500967 /nfs/dbraw/zinc/50/09/67/1170500967.db2.gz SMSKHDBMNXYKSX-CABCVRRESA-N 1 3 293.455 1.613 10 30 CDEEHO C#CCC[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001665947907 1173090331 /nfs/dbraw/zinc/09/03/31/1173090331.db2.gz ATDKVFYZQRDIDE-HNNXBMFYSA-N 1 3 291.439 1.370 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001699018060 1176043007 /nfs/dbraw/zinc/04/30/07/1176043007.db2.gz VVYIHPLGHCDKEP-LSDHHAIUSA-N 1 3 293.455 1.921 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001699599991 1176494343 /nfs/dbraw/zinc/49/43/43/1176494343.db2.gz OKXTZHPRESKCCI-CQSZACIVSA-N 1 3 276.384 1.321 10 30 CDEEHO CC#CC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001700272681 1176826179 /nfs/dbraw/zinc/82/61/79/1176826179.db2.gz QMTCBJRLUHHLKJ-GJZGRUSLSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001713771605 1178746476 /nfs/dbraw/zinc/74/64/76/1178746476.db2.gz NCTVOBCDAXTSIG-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001713771605 1178746480 /nfs/dbraw/zinc/74/64/80/1178746480.db2.gz NCTVOBCDAXTSIG-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001714075711 1178961116 /nfs/dbraw/zinc/96/11/16/1178961116.db2.gz ZHBWULRQJPGJJR-GJZGRUSLSA-N 1 3 281.444 1.920 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001715243398 1179593999 /nfs/dbraw/zinc/59/39/99/1179593999.db2.gz DJZJXFOHFHQIPH-CQSZACIVSA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001715722482 1179778204 /nfs/dbraw/zinc/77/82/04/1179778204.db2.gz HTTORISSWUQXHA-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CC[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001717242317 1180587222 /nfs/dbraw/zinc/58/72/22/1180587222.db2.gz UZTZNWDONAQBJL-UHFFFAOYSA-N 1 3 291.439 1.466 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001724588538 1181700284 /nfs/dbraw/zinc/70/02/84/1181700284.db2.gz VAEAZZKHNCSNMI-LSDHHAIUSA-N 1 3 293.455 1.731 10 30 CDEEHO C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001725390845 1181984824 /nfs/dbraw/zinc/98/48/24/1181984824.db2.gz XMUXRPQWRRZNJI-HZPDHXFCSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CCCC[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001725425732 1181996170 /nfs/dbraw/zinc/99/61/70/1181996170.db2.gz NRAUYPQKENXEMO-UHFFFAOYSA-N 1 3 290.411 1.841 10 30 CDEEHO C=CCCC[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001725425732 1181996178 /nfs/dbraw/zinc/99/61/78/1181996178.db2.gz NRAUYPQKENXEMO-UHFFFAOYSA-N 1 3 290.411 1.841 10 30 CDEEHO C#CCN1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001731385917 1182349417 /nfs/dbraw/zinc/34/94/17/1182349417.db2.gz OYOCMLRMWMYRPO-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCN1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CCC)CC1 ZINC001731385917 1182349424 /nfs/dbraw/zinc/34/94/24/1182349424.db2.gz OYOCMLRMWMYRPO-OAHLLOKOSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001731420954 1182375170 /nfs/dbraw/zinc/37/51/70/1182375170.db2.gz AUVQMWKGIVEJOY-JKSUJKDBSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001731420954 1182375172 /nfs/dbraw/zinc/37/51/72/1182375172.db2.gz AUVQMWKGIVEJOY-JKSUJKDBSA-N 1 3 291.439 1.132 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001731686113 1182518505 /nfs/dbraw/zinc/51/85/05/1182518505.db2.gz PPEGKDRZNHHXJN-HOTGVXAUSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001731987905 1182716310 /nfs/dbraw/zinc/71/63/10/1182716310.db2.gz OFRUJWNHAOBRRM-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)C[NH2+]C[C@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001732252276 1182883823 /nfs/dbraw/zinc/88/38/23/1182883823.db2.gz FUUHWKPQABMCAQ-INIZCTEOSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001733083651 1183282295 /nfs/dbraw/zinc/28/22/95/1183282295.db2.gz NLIKLRFHBKQTLX-HZPDHXFCSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@H+](C)CCCC ZINC000876746331 805099557 /nfs/dbraw/zinc/09/95/57/805099557.db2.gz KBBSZNVFFCSGLM-NSHDSACASA-N 1 3 261.797 1.304 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC[N@@H+](C)CCCC ZINC000876746331 805099548 /nfs/dbraw/zinc/09/95/48/805099548.db2.gz KBBSZNVFFCSGLM-NSHDSACASA-N 1 3 261.797 1.304 10 30 CDEEHO C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261973914 814209668 /nfs/dbraw/zinc/20/96/68/814209668.db2.gz NHIYDCVCSIIIID-UONOGXRCSA-N 1 3 296.459 1.185 10 30 CDEEHO CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001567253040 1168641439 /nfs/dbraw/zinc/64/14/39/1168641439.db2.gz BIHRXMBRSSNYRE-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)N(C)C ZINC001567253040 1168641442 /nfs/dbraw/zinc/64/14/42/1168641442.db2.gz BIHRXMBRSSNYRE-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001121922825 913238930 /nfs/dbraw/zinc/23/89/30/913238930.db2.gz PUJJCBPTCMYJSF-SOUVJXGZSA-N 1 3 281.444 1.859 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001121922825 913238947 /nfs/dbraw/zinc/23/89/47/913238947.db2.gz PUJJCBPTCMYJSF-SOUVJXGZSA-N 1 3 281.444 1.859 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267053167 896642994 /nfs/dbraw/zinc/64/29/94/896642994.db2.gz LBLUUCGUCBJGKZ-HUUCEWRRSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267070347 896686073 /nfs/dbraw/zinc/68/60/73/896686073.db2.gz LJTLTORQCRQSMT-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001272624186 914205103 /nfs/dbraw/zinc/20/51/03/914205103.db2.gz IISLJPGVXZKBOY-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001267653782 899176203 /nfs/dbraw/zinc/17/62/03/899176203.db2.gz YSPRPOBKVLUHCP-GJZGRUSLSA-N 1 3 297.418 1.080 10 30 CDEEHO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001267653782 899176208 /nfs/dbraw/zinc/17/62/08/899176208.db2.gz YSPRPOBKVLUHCP-GJZGRUSLSA-N 1 3 297.418 1.080 10 30 CDEEHO C=CCCC[N@@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001268250749 901672737 /nfs/dbraw/zinc/67/27/37/901672737.db2.gz HCSMOUCDMORLIZ-OAHLLOKOSA-N 1 3 281.444 1.685 10 30 CDEEHO C=CCCC[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001268250749 901672744 /nfs/dbraw/zinc/67/27/44/901672744.db2.gz HCSMOUCDMORLIZ-OAHLLOKOSA-N 1 3 281.444 1.685 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)CC[N@@H+](C)CC ZINC001268253533 901674490 /nfs/dbraw/zinc/67/44/90/901674490.db2.gz ADBVRCZPUKTDFT-UHFFFAOYSA-N 1 3 255.406 1.295 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)CC[N@H+](C)CC ZINC001268253533 901674499 /nfs/dbraw/zinc/67/44/99/901674499.db2.gz ADBVRCZPUKTDFT-UHFFFAOYSA-N 1 3 255.406 1.295 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001269235585 903596442 /nfs/dbraw/zinc/59/64/42/903596442.db2.gz MIVSBFZFSHOHIG-HRCADAONSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001269235585 903596453 /nfs/dbraw/zinc/59/64/53/903596453.db2.gz MIVSBFZFSHOHIG-HRCADAONSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001270420258 904623393 /nfs/dbraw/zinc/62/33/93/904623393.db2.gz RHLWENAHNNRCFA-HUUCEWRRSA-N 1 3 281.444 1.779 10 30 CDEEHO C#CC[NH+]1CCC(C)(CNC(=O)CN(C)C2CCC2)CC1 ZINC001270886232 905330111 /nfs/dbraw/zinc/33/01/11/905330111.db2.gz UCUMSPALRHAITK-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001271565237 906520800 /nfs/dbraw/zinc/52/08/00/906520800.db2.gz BMLFBLALMPIEJU-HZPDHXFCSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001271577158 906524545 /nfs/dbraw/zinc/52/45/45/906524545.db2.gz RIFNTHOWZNZFOF-JKSUJKDBSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001483266053 910759791 /nfs/dbraw/zinc/75/97/91/910759791.db2.gz CKMHKEDRKGXDFK-ZDUSSCGKSA-N 1 3 269.433 1.635 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001483383737 911028194 /nfs/dbraw/zinc/02/81/94/911028194.db2.gz JGUBBPQXQTVSQX-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001483383737 911028211 /nfs/dbraw/zinc/02/82/11/911028211.db2.gz JGUBBPQXQTVSQX-ZIAGYGMSSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001507426111 911112817 /nfs/dbraw/zinc/11/28/17/911112817.db2.gz FVYAIQMEIXXQPA-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001483793869 915071482 /nfs/dbraw/zinc/07/14/82/915071482.db2.gz NBVCNAJKIKUBHO-ZIAGYGMSSA-N 1 3 279.428 1.674 10 30 CDEEHO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001484118758 915443421 /nfs/dbraw/zinc/44/34/21/915443421.db2.gz GVHUXVFDDKZWRH-QGZVFWFLSA-N 1 3 293.455 1.733 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001485195132 916657392 /nfs/dbraw/zinc/65/73/92/916657392.db2.gz RZVNPOPYRSFFRK-UONOGXRCSA-N 1 3 281.444 1.470 10 30 CDEEHO C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001273744261 925149232 /nfs/dbraw/zinc/14/92/32/925149232.db2.gz VFTFLIOPOQFMKT-AWEZNQCLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001122108355 937905909 /nfs/dbraw/zinc/90/59/09/937905909.db2.gz PCFDZUDVYQRCTB-AAEUAGOBSA-N 1 3 253.390 1.174 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001122494944 937936971 /nfs/dbraw/zinc/93/69/71/937936971.db2.gz MJVZDVLWYMPDMO-CHWSQXEVSA-N 1 3 253.390 1.176 10 30 CDEEHO C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001277385505 942467438 /nfs/dbraw/zinc/46/74/38/942467438.db2.gz PUFWWPHIQKAJQV-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001277385505 942467442 /nfs/dbraw/zinc/46/74/42/942467442.db2.gz PUFWWPHIQKAJQV-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001281682107 942609119 /nfs/dbraw/zinc/60/91/19/942609119.db2.gz HGMUHGXALVDWRA-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001281682107 942609124 /nfs/dbraw/zinc/60/91/24/942609124.db2.gz HGMUHGXALVDWRA-CABCVRRESA-N 1 3 281.444 1.872 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001282337107 942691751 /nfs/dbraw/zinc/69/17/51/942691751.db2.gz GZDKKLBLEGSHOQ-CYBMUJFWSA-N 1 3 267.417 1.034 10 30 CDEEHO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001284321996 943146650 /nfs/dbraw/zinc/14/66/50/943146650.db2.gz FCSKLHSEJLRLAW-LSDHHAIUSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001264432433 944135208 /nfs/dbraw/zinc/13/52/08/944135208.db2.gz VYFSFPUKKCNYKA-JYJNAYRXSA-N 1 3 293.455 1.779 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001265359171 944359398 /nfs/dbraw/zinc/35/93/98/944359398.db2.gz YSFBZQDVFFYVCH-LSDHHAIUSA-N 1 3 279.428 1.531 10 30 CDEEHO C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001265390395 944371442 /nfs/dbraw/zinc/37/14/42/944371442.db2.gz DQEIOIWXBWVAFG-LSDHHAIUSA-N 1 3 279.428 1.130 10 30 CDEEHO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001265390395 944371449 /nfs/dbraw/zinc/37/14/49/944371449.db2.gz DQEIOIWXBWVAFG-LSDHHAIUSA-N 1 3 279.428 1.130 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001265636657 944451798 /nfs/dbraw/zinc/45/17/98/944451798.db2.gz MMGCRUDMRGCTLD-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001265895016 944561811 /nfs/dbraw/zinc/56/18/11/944561811.db2.gz BWVJSBJNRILWSC-UONOGXRCSA-N 1 3 265.401 1.237 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266218767 944765542 /nfs/dbraw/zinc/76/55/42/944765542.db2.gz BAPMENMMKNNDFS-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266218767 944765546 /nfs/dbraw/zinc/76/55/46/944765546.db2.gz BAPMENMMKNNDFS-OAHLLOKOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001479879389 971468173 /nfs/dbraw/zinc/46/81/73/971468173.db2.gz DTWJCGKWGPEOEE-UHFFFAOYSA-N 1 3 288.395 1.255 10 30 CDEEHO C#CCC[N@H+](CCCNC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001479879389 971468177 /nfs/dbraw/zinc/46/81/77/971468177.db2.gz DTWJCGKWGPEOEE-UHFFFAOYSA-N 1 3 288.395 1.255 10 30 CDEEHO CC#CC[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001278685015 951686445 /nfs/dbraw/zinc/68/64/45/951686445.db2.gz QDENRPRVPLQORE-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001480668202 971832348 /nfs/dbraw/zinc/83/23/48/971832348.db2.gz JTJLHKJQYDGKDH-HNNXBMFYSA-N 1 3 279.428 1.342 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001328281650 955249916 /nfs/dbraw/zinc/24/99/16/955249916.db2.gz DONPZPIAYJZOPC-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H](CC)N(C)C)C(C)C ZINC001329741376 956091951 /nfs/dbraw/zinc/09/19/51/956091951.db2.gz HXNMJBJCEZDHAN-HUUCEWRRSA-N 1 3 281.444 1.423 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001319244339 958452966 /nfs/dbraw/zinc/45/29/66/958452966.db2.gz IHTNKMIMTFBCIR-OLZOCXBDSA-N 1 3 255.406 1.245 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C1CCCCC1 ZINC001319656149 958675203 /nfs/dbraw/zinc/67/52/03/958675203.db2.gz NALDASCESAWHPV-JKSUJKDBSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCC[NH+]1CCC(C)(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001324334447 961311601 /nfs/dbraw/zinc/31/16/01/961311601.db2.gz KUIKEIPDNADUJS-AWEZNQCLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001496361019 972897458 /nfs/dbraw/zinc/89/74/58/972897458.db2.gz UVWFRXAMSXTODD-GJZGRUSLSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001496453140 972928336 /nfs/dbraw/zinc/92/83/36/972928336.db2.gz XPLOZKYFEHSUFA-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001496846093 973121512 /nfs/dbraw/zinc/12/15/12/973121512.db2.gz ZPDROGJFUDTPLX-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001505410622 974864254 /nfs/dbraw/zinc/86/42/54/974864254.db2.gz IORBSYUFVIHYMR-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001505497676 974895926 /nfs/dbraw/zinc/89/59/26/974895926.db2.gz MIFMVDJZCOECIT-GPANFISMSA-N 1 3 291.439 1.367 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001506903601 975253899 /nfs/dbraw/zinc/25/38/99/975253899.db2.gz PIFVAAUKXBGHLS-KKUMJFAQSA-N 1 3 281.444 1.777 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001507022641 975297454 /nfs/dbraw/zinc/29/74/54/975297454.db2.gz DAAGNDWCVOQEGC-OAHLLOKOSA-N 1 3 290.411 1.745 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001674157005 1173920488 /nfs/dbraw/zinc/92/04/88/1173920488.db2.gz YQEFRQYHJLXYAF-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001674157005 1173920493 /nfs/dbraw/zinc/92/04/93/1173920493.db2.gz YQEFRQYHJLXYAF-HUUCEWRRSA-N 1 3 279.428 1.321 10 30 CDEEHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H](N)CCCCC#N)C1 ZINC000594437769 342906117 /nfs/dbraw/zinc/90/61/17/342906117.db2.gz PFICNWILOPWIGX-RBSFLKMASA-N 1 3 292.427 1.340 10 30 CDEEHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H](N)CCCCC#N)C1 ZINC000594437769 342906118 /nfs/dbraw/zinc/90/61/18/342906118.db2.gz PFICNWILOPWIGX-RBSFLKMASA-N 1 3 292.427 1.340 10 30 CDEEHO N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595936584 343201959 /nfs/dbraw/zinc/20/19/59/343201959.db2.gz OHHLCDXCJAFNLE-HUUCEWRRSA-N 1 3 292.427 1.246 10 30 CDEEHO N#Cc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000600768888 349878690 /nfs/dbraw/zinc/87/86/90/349878690.db2.gz HOSVVIAPLNOAJY-WOSRLPQWSA-N 1 3 289.379 1.870 10 30 CDEEHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001662872798 1172605204 /nfs/dbraw/zinc/60/52/04/1172605204.db2.gz SUYPRGUOROJFHH-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001662872798 1172605211 /nfs/dbraw/zinc/60/52/11/1172605211.db2.gz SUYPRGUOROJFHH-AWEZNQCLSA-N 1 3 267.417 1.437 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001662974562 1172622661 /nfs/dbraw/zinc/62/26/61/1172622661.db2.gz KZFMGWVYYCVJBL-AWEZNQCLSA-N 1 3 281.444 1.472 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001663461622 1172697958 /nfs/dbraw/zinc/69/79/58/1172697958.db2.gz NYRJGFGSKILFPH-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001665787788 1173061431 /nfs/dbraw/zinc/06/14/31/1173061431.db2.gz JSZJYRSUZIZXEE-CABCVRRESA-N 1 3 281.444 1.920 10 30 CDEEHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(C#CCN)cs1 ZINC000043689075 175095815 /nfs/dbraw/zinc/09/58/15/175095815.db2.gz UNZHJZPKDCALFK-YPMHNXCESA-N 1 3 291.420 1.144 10 30 CDEEHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(C#CCN)cs1 ZINC000043689075 175095817 /nfs/dbraw/zinc/09/58/17/175095817.db2.gz UNZHJZPKDCALFK-YPMHNXCESA-N 1 3 291.420 1.144 10 30 CDEEHO C=CCN1CC[C@@H](N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662291936 423917864 /nfs/dbraw/zinc/91/78/64/423917864.db2.gz ATGPHWHNLGPFKI-HZPDHXFCSA-N 1 3 291.439 1.485 10 30 CDEEHO C=CCOc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000344548484 335255410 /nfs/dbraw/zinc/25/54/10/335255410.db2.gz JZEQKOBJROWUEH-UHFFFAOYSA-N 1 3 290.407 1.798 10 30 CDEEHO C=C(Cl)CNCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699145800 1176111938 /nfs/dbraw/zinc/11/19/38/1176111938.db2.gz CFTUWEPBHXISRZ-LBPRGKRZSA-N 1 3 285.819 1.319 10 30 CDEEHO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)CCC ZINC001670940983 1161393664 /nfs/dbraw/zinc/39/36/64/1161393664.db2.gz YWGGVQREDVZKCX-MQVJKMGUSA-N 1 3 291.439 1.463 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001725597238 1182069073 /nfs/dbraw/zinc/06/90/73/1182069073.db2.gz RYDQYOYPKNAUPE-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO COC1CC[NH+](Cc2ccc(C#CCN)cc2)CC1 ZINC000049609081 522705172 /nfs/dbraw/zinc/70/51/72/522705172.db2.gz MTGDCYUUWYAMLZ-UHFFFAOYSA-N 1 3 258.365 1.608 10 30 CDEEHO C[N@H+](Cc1ccc(F)c(C#CCN)c1)C1CCOCC1 ZINC000049609344 523240498 /nfs/dbraw/zinc/24/04/98/523240498.db2.gz FSIYXHPKDKTTPT-UHFFFAOYSA-N 1 3 276.355 1.747 10 30 CDEEHO C[N@@H+](Cc1ccc(F)c(C#CCN)c1)C1CCOCC1 ZINC000049609344 523240504 /nfs/dbraw/zinc/24/05/04/523240504.db2.gz FSIYXHPKDKTTPT-UHFFFAOYSA-N 1 3 276.355 1.747 10 30 CDEEHO NCC#Cc1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000052763112 527148451 /nfs/dbraw/zinc/14/84/51/527148451.db2.gz YPZXZOSYVGSBKV-KRWDZBQOSA-N 1 3 272.392 1.734 10 30 CDEEHO NCC#Cc1ccc(C[N@H+]2CCC[C@H]2CCCO)cc1 ZINC000052763112 527148455 /nfs/dbraw/zinc/14/84/55/527148455.db2.gz YPZXZOSYVGSBKV-KRWDZBQOSA-N 1 3 272.392 1.734 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001689346084 1175148036 /nfs/dbraw/zinc/14/80/36/1175148036.db2.gz WCOXEOVWYDOWGS-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001689346084 1175148039 /nfs/dbraw/zinc/14/80/39/1175148039.db2.gz WCOXEOVWYDOWGS-HOTGVXAUSA-N 1 3 293.455 1.970 10 30 CDEEHO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001690183505 1175397503 /nfs/dbraw/zinc/39/75/03/1175397503.db2.gz ANVYOBHQNXWYLL-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001690183505 1175397516 /nfs/dbraw/zinc/39/75/16/1175397516.db2.gz ANVYOBHQNXWYLL-HOTGVXAUSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941157718 613781524 /nfs/dbraw/zinc/78/15/24/613781524.db2.gz FSCZWXIKVJGPHX-CABCVRRESA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941157718 613781525 /nfs/dbraw/zinc/78/15/25/613781525.db2.gz FSCZWXIKVJGPHX-CABCVRRESA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000925769884 617628474 /nfs/dbraw/zinc/62/84/74/617628474.db2.gz GQSCAWBWIJLXRG-OCCSQVGLSA-N 1 3 263.385 1.826 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001266896392 1158966952 /nfs/dbraw/zinc/96/69/52/1158966952.db2.gz AMHCLFTVWLTXQG-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001266896392 1158966953 /nfs/dbraw/zinc/96/69/53/1158966953.db2.gz AMHCLFTVWLTXQG-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266766689 1158813340 /nfs/dbraw/zinc/81/33/40/1158813340.db2.gz IPZKEMAKGAZLSG-HZPDHXFCSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266766689 1158813350 /nfs/dbraw/zinc/81/33/50/1158813350.db2.gz IPZKEMAKGAZLSG-HZPDHXFCSA-N 1 3 293.455 1.424 10 30 CDEEHO C=CC[NH+]1CCC(C)(NC(=O)CN(C)CCC)CC1 ZINC001569577327 1169929148 /nfs/dbraw/zinc/92/91/48/1169929148.db2.gz NOSAWURLRAITPP-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001662651285 1172576913 /nfs/dbraw/zinc/57/69/13/1172576913.db2.gz WXFGRJZCGWVJAR-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001670237749 1173665325 /nfs/dbraw/zinc/66/53/25/1173665325.db2.gz WKUUDJSARSVEJK-CYBMUJFWSA-N 1 3 255.406 1.197 10 30 CDEEHO C=CCN(C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001674953308 1174043111 /nfs/dbraw/zinc/04/31/11/1174043111.db2.gz HFCICGYVJOYTRL-ZDUSSCGKSA-N 1 3 265.401 1.237 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001676250314 1174196275 /nfs/dbraw/zinc/19/62/75/1174196275.db2.gz WOJRLQJNTIBLTH-GDBMZVCRSA-N 1 3 293.455 1.731 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCC=C)CC1 ZINC001690650069 1175537136 /nfs/dbraw/zinc/53/71/36/1175537136.db2.gz DRPNCSUKAXHJFP-AWEZNQCLSA-N 1 3 277.412 1.002 10 30 CDEEHO C#CCCN1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001692162386 1175686179 /nfs/dbraw/zinc/68/61/79/1175686179.db2.gz SMSGHTLUFUCBAO-INIZCTEOSA-N 1 3 291.439 1.466 10 30 CDEEHO C=CC[NH2+][C@@H](CC)CNC(=O)CN(C)CC(C)(C)C ZINC001698611955 1175870808 /nfs/dbraw/zinc/87/08/08/1175870808.db2.gz AUWQYNGHQZKCJP-ZDUSSCGKSA-N 1 3 269.433 1.635 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001698844743 1175960734 /nfs/dbraw/zinc/96/07/34/1175960734.db2.gz FBJKRUKKELWCOG-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001699404615 1176370225 /nfs/dbraw/zinc/37/02/25/1176370225.db2.gz GXIPHHKIPIDNPV-KBPBESRZSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCN1C(C)C ZINC001700517236 1176991357 /nfs/dbraw/zinc/99/13/57/1176991357.db2.gz KMXUUVAYFXGUCZ-HOTGVXAUSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001713134542 1178388522 /nfs/dbraw/zinc/38/85/22/1178388522.db2.gz PECSFTFOQRNQPY-HZPDHXFCSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001713134542 1178388530 /nfs/dbraw/zinc/38/85/30/1178388530.db2.gz PECSFTFOQRNQPY-HZPDHXFCSA-N 1 3 293.455 1.685 10 30 CDEEHO C#CCN1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001713220758 1178437794 /nfs/dbraw/zinc/43/77/94/1178437794.db2.gz SDTKWYOXXUYYET-MRXNPFEDSA-N 1 3 291.439 1.180 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001714561593 1179216859 /nfs/dbraw/zinc/21/68/59/1179216859.db2.gz TXIRUCJAYKJZNX-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(C)CC[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001714561593 1179216865 /nfs/dbraw/zinc/21/68/65/1179216865.db2.gz TXIRUCJAYKJZNX-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001715358747 1179641593 /nfs/dbraw/zinc/64/15/93/1179641593.db2.gz GWNJCUJHOPRLHA-AWEZNQCLSA-N 1 3 281.444 1.424 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CCCCC1 ZINC001715404388 1179658760 /nfs/dbraw/zinc/65/87/60/1179658760.db2.gz KDMXQAIMOPXDJP-MRXNPFEDSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001717076352 1180524106 /nfs/dbraw/zinc/52/41/06/1180524106.db2.gz GCWFDFBCPIMYCZ-CVEARBPZSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001717109408 1180532867 /nfs/dbraw/zinc/53/28/67/1180532867.db2.gz CVDSORURQHTIPE-KBPBESRZSA-N 1 3 299.846 1.519 10 30 CDEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001717109408 1180532870 /nfs/dbraw/zinc/53/28/70/1180532870.db2.gz CVDSORURQHTIPE-KBPBESRZSA-N 1 3 299.846 1.519 10 30 CDEEHO C=C(C)CC[NH2+][C@@H](CNC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001731409342 1182368886 /nfs/dbraw/zinc/36/88/86/1182368886.db2.gz RWMMJNBXLLBMTG-HNNXBMFYSA-N 1 3 290.411 1.711 10 30 CDEEHO C#CCNC/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732907587 1183179611 /nfs/dbraw/zinc/17/96/11/1183179611.db2.gz BLWWHNIKKVGWCE-LQYUOIDQSA-N 1 3 277.412 1.146 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001733767194 1183525668 /nfs/dbraw/zinc/52/56/68/1183525668.db2.gz RWWOCUMXJGDLJJ-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001733767194 1183525669 /nfs/dbraw/zinc/52/56/69/1183525669.db2.gz RWWOCUMXJGDLJJ-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(Cl)CNCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001734260338 1183706675 /nfs/dbraw/zinc/70/66/75/1183706675.db2.gz KBOOGWCGIBMZMU-CYBMUJFWSA-N 1 3 299.846 1.709 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001734432614 1183777696 /nfs/dbraw/zinc/77/76/96/1183777696.db2.gz NUQYRHFGPDEMOL-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000876762153 1165911208 /nfs/dbraw/zinc/91/12/08/1165911208.db2.gz AGNJUTGBUPKPMB-CYBMUJFWSA-N 1 3 287.835 1.695 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000876913281 819427446 /nfs/dbraw/zinc/42/74/46/819427446.db2.gz PRBIXFLNPISDBX-QWRGUYRKSA-N 1 3 259.781 1.090 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001566773691 1168415790 /nfs/dbraw/zinc/41/57/90/1168415790.db2.gz UXRPJOHHSIQBPL-LBPRGKRZSA-N 1 3 262.357 1.109 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567054333 1168536815 /nfs/dbraw/zinc/53/68/15/1168536815.db2.gz PSQVLJJGCPWOIP-XJKSGUPXSA-N 1 3 299.434 1.869 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567201755 1168616051 /nfs/dbraw/zinc/61/60/51/1168616051.db2.gz HNOXPXCDVGVPMV-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001567201755 1168616055 /nfs/dbraw/zinc/61/60/55/1168616055.db2.gz HNOXPXCDVGVPMV-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001267198912 897126023 /nfs/dbraw/zinc/12/60/23/897126023.db2.gz CZQPNGNSGPNQJF-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267198912 897126028 /nfs/dbraw/zinc/12/60/28/897126028.db2.gz CZQPNGNSGPNQJF-INIZCTEOSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267201064 897130445 /nfs/dbraw/zinc/13/04/45/897130445.db2.gz JSEMTMHFJTZUMB-HUUCEWRRSA-N 1 3 293.455 1.731 10 30 CDEEHO C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001267653781 899177860 /nfs/dbraw/zinc/17/78/60/899177860.db2.gz YSPRPOBKVLUHCP-CABCVRRESA-N 1 3 297.418 1.080 10 30 CDEEHO C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001267653781 899177870 /nfs/dbraw/zinc/17/78/70/899177870.db2.gz YSPRPOBKVLUHCP-CABCVRRESA-N 1 3 297.418 1.080 10 30 CDEEHO CC#CC[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001267841376 899853770 /nfs/dbraw/zinc/85/37/70/899853770.db2.gz RMLWFPBMOUATOB-OAHLLOKOSA-N 1 3 291.439 1.370 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001268214734 901584485 /nfs/dbraw/zinc/58/44/85/901584485.db2.gz ZFJIVEZYPWQZDV-AWEZNQCLSA-N 1 3 267.417 1.387 10 30 CDEEHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001481678783 901786047 /nfs/dbraw/zinc/78/60/47/901786047.db2.gz YSODQGPADCUEOU-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001481740998 901987415 /nfs/dbraw/zinc/98/74/15/901987415.db2.gz HKSPZWQFFGVDBC-CVEARBPZSA-N 1 3 293.455 1.663 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CC(=C)C)CC1 ZINC001269517222 903887148 /nfs/dbraw/zinc/88/71/48/903887148.db2.gz VKTHFZOWHDVDIZ-MRXNPFEDSA-N 1 3 291.439 1.392 10 30 CDEEHO CC#CC[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001269588222 903953658 /nfs/dbraw/zinc/95/36/58/903953658.db2.gz NFGHPTAQGCXBEE-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001270166264 904410988 /nfs/dbraw/zinc/41/09/88/904410988.db2.gz USNPXQKYZKSZAF-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001270919487 905447372 /nfs/dbraw/zinc/44/73/72/905447372.db2.gz LBLBMFWEPPGGPI-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=C(C)C[NH2+]C[C@@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001568021540 1169121050 /nfs/dbraw/zinc/12/10/50/1169121050.db2.gz FWWWRQVEBBWLJH-QGZVFWFLSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCC[NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001483492607 911188685 /nfs/dbraw/zinc/18/86/85/911188685.db2.gz HKGWJWPDKZNIOQ-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001485651791 917151415 /nfs/dbraw/zinc/15/14/15/917151415.db2.gz YHASITICNBLBJT-LSDHHAIUSA-N 1 3 297.443 1.108 10 30 CDEEHO C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486133537 920738500 /nfs/dbraw/zinc/73/85/00/920738500.db2.gz DIGLIFBVABYXLV-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001486133326 920738877 /nfs/dbraw/zinc/73/88/77/920738877.db2.gz AVVXANWOYVYNMA-CVEARBPZSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001486219044 920829327 /nfs/dbraw/zinc/82/93/27/920829327.db2.gz QMNIBDFMQPWZOD-KBPBESRZSA-N 1 3 290.411 1.711 10 30 CDEEHO CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001568331151 1169249777 /nfs/dbraw/zinc/24/97/77/1169249777.db2.gz MFTVAGUWBFQZSC-OAHLLOKOSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001273848471 926105912 /nfs/dbraw/zinc/10/59/12/926105912.db2.gz JSBOMTWNDGDKPE-QGZVFWFLSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001273848471 926105914 /nfs/dbraw/zinc/10/59/14/926105914.db2.gz JSBOMTWNDGDKPE-QGZVFWFLSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001488683887 926647882 /nfs/dbraw/zinc/64/78/82/926647882.db2.gz PBUDIORITCOOPO-HUUCEWRRSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001488683887 926647888 /nfs/dbraw/zinc/64/78/88/926647888.db2.gz PBUDIORITCOOPO-HUUCEWRRSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCOCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693721022 937250743 /nfs/dbraw/zinc/25/07/43/937250743.db2.gz VNAAVSFPCSKSDD-HZSPNIEDSA-N 1 3 252.402 1.945 10 30 CDEEHO C=CC[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001274344821 931491747 /nfs/dbraw/zinc/49/17/47/931491747.db2.gz HRJMXYYAAGNUMM-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001274608419 931519130 /nfs/dbraw/zinc/51/91/30/931519130.db2.gz FUZARWJRDAFHGH-IYKSTZQJSA-N 1 3 277.412 1.002 10 30 CDEEHO C[NH2+]CCOCCNC1CC(C#N)(c2ccccc2)C1 ZINC001118959604 937681881 /nfs/dbraw/zinc/68/18/81/937681881.db2.gz QGKDIHDYUQKTFY-UHFFFAOYSA-N 1 3 273.380 1.436 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)CN(C)C(C)C ZINC001496843818 973117643 /nfs/dbraw/zinc/11/76/43/973117643.db2.gz FKKINAVPKFLRNM-UHFFFAOYSA-N 1 3 255.406 1.293 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)CN(C)C(C)C ZINC001496843818 973117648 /nfs/dbraw/zinc/11/76/48/973117648.db2.gz FKKINAVPKFLRNM-UHFFFAOYSA-N 1 3 255.406 1.293 10 30 CDEEHO C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001276588566 940392194 /nfs/dbraw/zinc/39/21/94/940392194.db2.gz JJUGTRKHKGSXEC-JKSUJKDBSA-N 1 3 293.455 1.920 10 30 CDEEHO C=CCCN1CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001276866385 941660641 /nfs/dbraw/zinc/66/06/41/941660641.db2.gz CSZRXHUQQWYGBZ-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCCN1CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001276866385 941660642 /nfs/dbraw/zinc/66/06/42/941660642.db2.gz CSZRXHUQQWYGBZ-GJZGRUSLSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)CCN1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001276910454 941691304 /nfs/dbraw/zinc/69/13/04/941691304.db2.gz ZMYYGMCLDDTJEY-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001277151505 942059475 /nfs/dbraw/zinc/05/94/75/942059475.db2.gz UPBUHPFXIBLTSX-HNNXBMFYSA-N 1 3 291.439 1.370 10 30 CDEEHO CC#CCNC1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001277151505 942059481 /nfs/dbraw/zinc/05/94/81/942059481.db2.gz UPBUHPFXIBLTSX-HNNXBMFYSA-N 1 3 291.439 1.370 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001280197486 942422551 /nfs/dbraw/zinc/42/25/51/942422551.db2.gz ILIQMAIJHORPED-HOTGVXAUSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001284248142 943131472 /nfs/dbraw/zinc/13/14/72/943131472.db2.gz SXPRBGQEDFMYRX-UONOGXRCSA-N 1 3 267.417 1.387 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001263919394 944031604 /nfs/dbraw/zinc/03/16/04/944031604.db2.gz QXGWKVISPGNXOB-OWCLPIDISA-N 1 3 293.455 1.779 10 30 CDEEHO C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001264403553 944126181 /nfs/dbraw/zinc/12/61/81/944126181.db2.gz RXBOHBFOVWYGHW-QLFBSQMISA-N 1 3 279.428 1.080 10 30 CDEEHO CC#CCN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001264650414 944159224 /nfs/dbraw/zinc/15/92/24/944159224.db2.gz QAFJPYRLQJAHID-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001265225393 944284900 /nfs/dbraw/zinc/28/49/00/944284900.db2.gz XBARQJLQZLZWTM-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001265225393 944284903 /nfs/dbraw/zinc/28/49/03/944284903.db2.gz XBARQJLQZLZWTM-HUUCEWRRSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001265378160 944365763 /nfs/dbraw/zinc/36/57/63/944365763.db2.gz HTRIZYNDEPJVNY-UONOGXRCSA-N 1 3 267.417 1.387 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001265508297 944412934 /nfs/dbraw/zinc/41/29/34/944412934.db2.gz BXYCQVARGQPYKQ-HDJSIYSDSA-N 1 3 267.417 1.530 10 30 CDEEHO CC#CCN[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001265845880 944536981 /nfs/dbraw/zinc/53/69/81/944536981.db2.gz HDJNINVDWUEYLG-CQSZACIVSA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001479774925 971410621 /nfs/dbraw/zinc/41/06/21/971410621.db2.gz KCTYCQMOXOUZQV-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001479774925 971410625 /nfs/dbraw/zinc/41/06/25/971410625.db2.gz KCTYCQMOXOUZQV-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001480144463 971600254 /nfs/dbraw/zinc/60/02/54/971600254.db2.gz JZMHLECGGASGBT-JHJVBQTASA-N 1 3 253.390 1.140 10 30 CDEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](C(C)C)CC1 ZINC001324427364 953385072 /nfs/dbraw/zinc/38/50/72/953385072.db2.gz WYJKXRXRQWXHMF-UHFFFAOYSA-N 1 3 288.395 1.287 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001325581659 953970985 /nfs/dbraw/zinc/97/09/85/953970985.db2.gz NGRHTRAFHDVRNP-LSDHHAIUSA-N 1 3 281.444 1.588 10 30 CDEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001326420132 954372199 /nfs/dbraw/zinc/37/21/99/954372199.db2.gz YZUYNUNRQKVDGL-JKSUJKDBSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)N(C)C)CCO1 ZINC001327035908 954669474 /nfs/dbraw/zinc/66/94/74/954669474.db2.gz PVSFOPDEYSAUEB-GJZGRUSLSA-N 1 3 297.443 1.110 10 30 CDEEHO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001493498288 972071275 /nfs/dbraw/zinc/07/12/75/972071275.db2.gz ATPYJGOULCKCPM-KBPBESRZSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001332043716 957413002 /nfs/dbraw/zinc/41/30/02/957413002.db2.gz ASEANILTGVJPPH-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317346585 957432155 /nfs/dbraw/zinc/43/21/55/957432155.db2.gz XFNZCIQCVZSSOX-JKSUJKDBSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(Cl)CNCC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001367159487 957815916 /nfs/dbraw/zinc/81/59/16/957815916.db2.gz XEGIUJDRJLFBJV-UHFFFAOYSA-N 1 3 287.835 1.709 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCCC1 ZINC001495212430 972437796 /nfs/dbraw/zinc/43/77/96/972437796.db2.gz UABIQBRZNMYCQI-HUUCEWRRSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCC[C@@H](O)C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001560991737 961048377 /nfs/dbraw/zinc/04/83/77/961048377.db2.gz PUKBHLYHUBZILK-AQFXKWCLSA-N 1 3 294.439 1.384 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001495943203 972713965 /nfs/dbraw/zinc/71/39/65/972713965.db2.gz COKRIFNNAASHEN-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001497329898 973289046 /nfs/dbraw/zinc/28/90/46/973289046.db2.gz FIUFKMNYNKTTDE-HUUCEWRRSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C1CCCC1 ZINC001500111967 974376455 /nfs/dbraw/zinc/37/64/55/974376455.db2.gz SBQOZEGDVHVTED-HOTGVXAUSA-N 1 3 293.455 1.615 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001501149677 974542000 /nfs/dbraw/zinc/54/20/00/974542000.db2.gz FSCHHKVHWXGFEK-CABCVRRESA-N 1 3 279.428 1.036 10 30 CDEEHO C#CC[NH2+]C[C@H](CCCC)NC(=O)CN1CC[C@H](C)C1 ZINC001506549758 975177789 /nfs/dbraw/zinc/17/77/89/975177789.db2.gz UAFOCXSDXFOLTE-GJZGRUSLSA-N 1 3 279.428 1.226 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001398686230 976108132 /nfs/dbraw/zinc/10/81/32/976108132.db2.gz JOIBSKWXYLWXAP-KGLIPLIRSA-N 1 3 299.846 1.661 10 30 CDEEHO C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001380406765 976410946 /nfs/dbraw/zinc/41/09/46/976410946.db2.gz XANKFKRNOAVRRO-ZFWWWQNUSA-N 1 3 299.846 1.661 10 30 CDEEHO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001570958236 1170322937 /nfs/dbraw/zinc/32/29/37/1170322937.db2.gz MJSVJRMVLOLHHT-APIJFGDWSA-N 1 3 279.428 1.053 10 30 CDEEHO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001570958236 1170322943 /nfs/dbraw/zinc/32/29/43/1170322943.db2.gz MJSVJRMVLOLHHT-APIJFGDWSA-N 1 3 279.428 1.053 10 30 CDEEHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C ZINC000121234141 342088151 /nfs/dbraw/zinc/08/81/51/342088151.db2.gz BLKNXWJHMMXBPU-DOTOQJQBSA-N 1 3 293.455 1.943 10 30 CDEEHO C[NH+]1CCC2(CC1)CN(CCCCC#N)CCO2 ZINC000592181940 342679471 /nfs/dbraw/zinc/67/94/71/342679471.db2.gz JQXGPCRWYCTJQD-UHFFFAOYSA-N 1 3 251.374 1.477 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000594440770 342907362 /nfs/dbraw/zinc/90/73/62/342907362.db2.gz BTFPBPMCBALEAV-HNNXBMFYSA-N 1 3 286.379 1.317 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000594443203 342908006 /nfs/dbraw/zinc/90/80/06/342908006.db2.gz ALSCJMYXQYUFCL-IHRRRGAJSA-N 1 3 280.416 1.279 10 30 CDEEHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600729787 342245677 /nfs/dbraw/zinc/24/56/77/342245677.db2.gz HXZRZLCTQPMNQH-CABCVRRESA-N 1 3 279.428 1.609 10 30 CDEEHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600729787 342245678 /nfs/dbraw/zinc/24/56/78/342245678.db2.gz HXZRZLCTQPMNQH-CABCVRRESA-N 1 3 279.428 1.609 10 30 CDEEHO CC(C)CN1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600729787 342245679 /nfs/dbraw/zinc/24/56/79/342245679.db2.gz HXZRZLCTQPMNQH-CABCVRRESA-N 1 3 279.428 1.609 10 30 CDEEHO CC1(C)CC(NC[C@H](O)CC2(C#N)CC2)CC(C)(C)[NH2+]1 ZINC000600738669 342246614 /nfs/dbraw/zinc/24/66/14/342246614.db2.gz JMRLOVAMUDGWDQ-CYBMUJFWSA-N 1 3 279.428 1.940 10 30 CDEEHO CC1(C)CC([NH2+]C[C@H](O)CC2(C#N)CC2)CC(C)(C)N1 ZINC000600738669 342246615 /nfs/dbraw/zinc/24/66/15/342246615.db2.gz JMRLOVAMUDGWDQ-CYBMUJFWSA-N 1 3 279.428 1.940 10 30 CDEEHO CC(C)(CCC#N)C[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000597235197 343490511 /nfs/dbraw/zinc/49/05/11/343490511.db2.gz FUKPKLXSHGJKPY-OAHLLOKOSA-N 1 3 279.428 1.847 10 30 CDEEHO CN(CC#CC[N@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352222865 529823163 /nfs/dbraw/zinc/82/31/63/529823163.db2.gz SQHITWDXDICZFZ-HOTGVXAUSA-N 1 3 280.412 1.211 10 30 CDEEHO CN(CC#CC[N@@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352222865 529823164 /nfs/dbraw/zinc/82/31/64/529823164.db2.gz SQHITWDXDICZFZ-HOTGVXAUSA-N 1 3 280.412 1.211 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001663593060 1172731999 /nfs/dbraw/zinc/73/19/99/1172731999.db2.gz QTOWJPRWOIWIPR-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001663593060 1172732003 /nfs/dbraw/zinc/73/20/03/1172732003.db2.gz QTOWJPRWOIWIPR-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001664443094 1172853887 /nfs/dbraw/zinc/85/38/87/1172853887.db2.gz RNQPSIYAUOVZEE-CQSZACIVSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN1CCC(NC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662721500 413382975 /nfs/dbraw/zinc/38/29/75/413382975.db2.gz QXJPNZPYQFTIDQ-UHFFFAOYSA-N 1 3 277.412 1.428 10 30 CDEEHO C=CCNC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295147 414620707 /nfs/dbraw/zinc/62/07/07/414620707.db2.gz FNZCCYVERMHKRT-UKRRQHHQSA-N 1 3 279.428 1.389 10 30 CDEEHO C=CCN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)COC ZINC000662298813 414623027 /nfs/dbraw/zinc/62/30/27/414623027.db2.gz HGHLBZRZHKHBJE-QWHCGFSZSA-N 1 3 254.374 1.030 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001667751635 1173320065 /nfs/dbraw/zinc/32/00/65/1173320065.db2.gz LXCWUWRUKIGRQL-HUUCEWRRSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001691603238 1160714931 /nfs/dbraw/zinc/71/49/31/1160714931.db2.gz WURAOZCJBCXSNL-CQSZACIVSA-N 1 3 267.417 1.485 10 30 CDEEHO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(C#CCN)s1 ZINC000049232203 519814482 /nfs/dbraw/zinc/81/44/82/519814482.db2.gz FVEPYNMQGUAFFL-ZDUSSCGKSA-N 1 3 293.436 1.374 10 30 CDEEHO NCC#Cc1cccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000062941474 527151959 /nfs/dbraw/zinc/15/19/59/527151959.db2.gz QJZPMPBRGFLTOF-GOSISDBHSA-N 1 3 283.419 1.667 10 30 CDEEHO NCC#Cc1cccc(CN2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000062941474 527151964 /nfs/dbraw/zinc/15/19/64/527151964.db2.gz QJZPMPBRGFLTOF-GOSISDBHSA-N 1 3 283.419 1.667 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@H]([N@@H+](C)CC)C2)CC1 ZINC001678389721 1174435974 /nfs/dbraw/zinc/43/59/74/1174435974.db2.gz BICUUYRWYXEWCU-HNNXBMFYSA-N 1 3 294.443 1.372 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@H]([N@H+](C)CC)C2)CC1 ZINC001678389721 1174435980 /nfs/dbraw/zinc/43/59/80/1174435980.db2.gz BICUUYRWYXEWCU-HNNXBMFYSA-N 1 3 294.443 1.372 10 30 CDEEHO CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001266410034 1158534691 /nfs/dbraw/zinc/53/46/91/1158534691.db2.gz WXUCBRVDQUXARP-HZPDHXFCSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001567177175 1168607461 /nfs/dbraw/zinc/60/74/61/1168607461.db2.gz SKRRMQIAYCFUKC-ZIAGYGMSSA-N 1 3 288.395 1.301 10 30 CDEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001569986401 1170054818 /nfs/dbraw/zinc/05/48/18/1170054818.db2.gz IMYBORQHNISSEX-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001570609133 1170211078 /nfs/dbraw/zinc/21/10/78/1170211078.db2.gz XSRVMKNKRPIVQN-NEPJUHHUSA-N 1 3 253.390 1.140 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001690480962 1175480152 /nfs/dbraw/zinc/48/01/52/1175480152.db2.gz WJNGDKQJZICRQU-OAHLLOKOSA-N 1 3 290.411 1.889 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001699134033 1176107879 /nfs/dbraw/zinc/10/78/79/1176107879.db2.gz HGXYSGCPSHGASS-CZUORRHYSA-N 1 3 299.434 1.869 10 30 CDEEHO C=CC[NH2+]C/C=C/CNC(=O)c1cccc(CN(C)C)c1 ZINC001699344589 1176275096 /nfs/dbraw/zinc/27/50/96/1176275096.db2.gz KYHHEVBJYJEJSD-AATRIKPKSA-N 1 3 287.407 1.810 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001699582188 1176483626 /nfs/dbraw/zinc/48/36/26/1176483626.db2.gz XUHAGIYPRMWYIB-UONOGXRCSA-N 1 3 267.417 1.387 10 30 CDEEHO CC#CCN1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001700019916 1176721669 /nfs/dbraw/zinc/72/16/69/1176721669.db2.gz DONKNXVRBFCTNB-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CCN1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001700019916 1176721676 /nfs/dbraw/zinc/72/16/76/1176721676.db2.gz DONKNXVRBFCTNB-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCC)C2)CC1 ZINC001700645941 1177053401 /nfs/dbraw/zinc/05/34/01/1177053401.db2.gz QAJFKPRZYGQPEY-KOMQPUFPSA-N 1 3 291.439 1.226 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001700822084 1177150272 /nfs/dbraw/zinc/15/02/72/1177150272.db2.gz IRWSQPLTIMXUKK-LSDHHAIUSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCN1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713278111 1178462961 /nfs/dbraw/zinc/46/29/61/1178462961.db2.gz QYOBLUDYVAGFPH-GJZGRUSLSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001713530343 1178628871 /nfs/dbraw/zinc/62/88/71/1178628871.db2.gz CVCZEWWLEIFZTE-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001713530343 1178628873 /nfs/dbraw/zinc/62/88/73/1178628873.db2.gz CVCZEWWLEIFZTE-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC1 ZINC001713558392 1178645817 /nfs/dbraw/zinc/64/58/17/1178645817.db2.gz ILGPMZQICZISET-HOTGVXAUSA-N 1 3 291.439 1.770 10 30 CDEEHO C=CCN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC1 ZINC001713558392 1178645821 /nfs/dbraw/zinc/64/58/21/1178645821.db2.gz ILGPMZQICZISET-HOTGVXAUSA-N 1 3 291.439 1.770 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001713737319 1178731893 /nfs/dbraw/zinc/73/18/93/1178731893.db2.gz CSFMPUGULNDYSA-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001713737319 1178731895 /nfs/dbraw/zinc/73/18/95/1178731895.db2.gz CSFMPUGULNDYSA-HOTGVXAUSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001714569654 1179226625 /nfs/dbraw/zinc/22/66/25/1179226625.db2.gz ANDSLDPCNKDTDW-CABCVRRESA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001715225983 1179585130 /nfs/dbraw/zinc/58/51/30/1179585130.db2.gz DTPMTXNURVUTMB-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001715576996 1179723365 /nfs/dbraw/zinc/72/33/65/1179723365.db2.gz NOKCYNUKRNKUDS-HUUCEWRRSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001715838420 1179861553 /nfs/dbraw/zinc/86/15/53/1179861553.db2.gz GXOULNJHHAVHHU-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001715838420 1179861563 /nfs/dbraw/zinc/86/15/63/1179861563.db2.gz GXOULNJHHAVHHU-UHFFFAOYSA-N 1 3 267.417 1.437 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CCC(C)C)CC1 ZINC001716009646 1179981388 /nfs/dbraw/zinc/98/13/88/1179981388.db2.gz QWUOIFDJSVNUNL-HNNXBMFYSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CCN1CCC(C)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001716796539 1180418724 /nfs/dbraw/zinc/41/87/24/1180418724.db2.gz AWACINRJZHKIMR-UHFFFAOYSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001717605721 1180756276 /nfs/dbraw/zinc/75/62/76/1180756276.db2.gz NHGRVDJSRPLDLI-ZSOGYDGISA-N 1 3 288.395 1.131 10 30 CDEEHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001717605721 1180756281 /nfs/dbraw/zinc/75/62/81/1180756281.db2.gz NHGRVDJSRPLDLI-ZSOGYDGISA-N 1 3 288.395 1.131 10 30 CDEEHO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001717648110 1180773027 /nfs/dbraw/zinc/77/30/27/1180773027.db2.gz PABUXPIMRDUVIS-KKUMJFAQSA-N 1 3 279.428 1.389 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001717800969 1180861344 /nfs/dbraw/zinc/86/13/44/1180861344.db2.gz DGVAFQDDLYZOOE-QWHCGFSZSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CC[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001724250202 1181658555 /nfs/dbraw/zinc/65/85/55/1181658555.db2.gz NDBLWYKYFHTGPI-ZBFHGGJFSA-N 1 3 279.428 1.342 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCC1 ZINC001724799622 1181757870 /nfs/dbraw/zinc/75/78/70/1181757870.db2.gz ILUUIDGTYZEOKM-UHFFFAOYSA-N 1 3 299.418 1.624 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001725604041 1182070253 /nfs/dbraw/zinc/07/02/53/1182070253.db2.gz HRDUUVOWHTYNHF-KGLIPLIRSA-N 1 3 265.401 1.237 10 30 CDEEHO C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001731420951 1182374067 /nfs/dbraw/zinc/37/40/67/1182374067.db2.gz AUVQMWKGIVEJOY-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001731420951 1182374077 /nfs/dbraw/zinc/37/40/77/1182374077.db2.gz AUVQMWKGIVEJOY-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732592291 1183034831 /nfs/dbraw/zinc/03/48/31/1183034831.db2.gz IODWVITUKBJGBA-INIZCTEOSA-N 1 3 299.434 1.775 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001732592291 1183034837 /nfs/dbraw/zinc/03/48/37/1183034837.db2.gz IODWVITUKBJGBA-INIZCTEOSA-N 1 3 299.434 1.775 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732908304 1183179176 /nfs/dbraw/zinc/17/91/76/1183179176.db2.gz CRNZFDYAEGKXFI-SGFLJFKBSA-N 1 3 289.423 1.289 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001732908304 1183179179 /nfs/dbraw/zinc/17/91/79/1183179179.db2.gz CRNZFDYAEGKXFI-SGFLJFKBSA-N 1 3 289.423 1.289 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001733761633 1183524512 /nfs/dbraw/zinc/52/45/12/1183524512.db2.gz WSZHZKKXRKAYTP-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001733761633 1183524514 /nfs/dbraw/zinc/52/45/14/1183524514.db2.gz WSZHZKKXRKAYTP-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001733988295 1183603578 /nfs/dbraw/zinc/60/35/78/1183603578.db2.gz YCZSSTVWDXJJKQ-KBPBESRZSA-N 1 3 281.444 1.920 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001771857973 1184776660 /nfs/dbraw/zinc/77/66/60/1184776660.db2.gz VGGAGQPNDZILAJ-TUAOUCFPSA-N 1 3 273.808 1.445 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000876933267 823835768 /nfs/dbraw/zinc/83/57/68/823835768.db2.gz KRORINWIZWJODC-LBPRGKRZSA-N 1 3 267.760 1.862 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000876922467 828808405 /nfs/dbraw/zinc/80/84/05/828808405.db2.gz AKWZHJWPERFNMX-CHWSQXEVSA-N 1 3 299.846 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000876884973 826008356 /nfs/dbraw/zinc/00/83/56/826008356.db2.gz IIFOCPKWGAMOIV-RWMBFGLXSA-N 1 3 285.819 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000876884973 826008363 /nfs/dbraw/zinc/00/83/63/826008363.db2.gz IIFOCPKWGAMOIV-RWMBFGLXSA-N 1 3 285.819 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000876729216 826010962 /nfs/dbraw/zinc/01/09/62/826010962.db2.gz HTNAXFXTPHUWHW-SDDRHHMPSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000876729216 826010971 /nfs/dbraw/zinc/01/09/71/826010971.db2.gz HTNAXFXTPHUWHW-SDDRHHMPSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876958595 827017335 /nfs/dbraw/zinc/01/73/35/827017335.db2.gz IDLJLOBSLINPEG-MNOVXSKESA-N 1 3 273.808 1.445 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876958595 827017345 /nfs/dbraw/zinc/01/73/45/827017345.db2.gz IDLJLOBSLINPEG-MNOVXSKESA-N 1 3 273.808 1.445 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000876755853 827056421 /nfs/dbraw/zinc/05/64/21/827056421.db2.gz XYLBHTZPVPJUHS-NEPJUHHUSA-N 1 3 271.792 1.151 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000876530608 827171675 /nfs/dbraw/zinc/17/16/75/827171675.db2.gz XWFNCANQBNNKLK-ZDUSSCGKSA-N 1 3 293.798 1.894 10 30 CDEEHO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261951537 827540752 /nfs/dbraw/zinc/54/07/52/827540752.db2.gz HNMPSWKSVATAEK-REWJHTLYSA-N 1 3 266.433 1.679 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000876738096 827850414 /nfs/dbraw/zinc/85/04/14/827850414.db2.gz ZGLHRYQNYRAVLK-WXHSDQCUSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000876738096 827850417 /nfs/dbraw/zinc/85/04/17/827850417.db2.gz ZGLHRYQNYRAVLK-WXHSDQCUSA-N 1 3 287.835 1.693 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000876858174 828072119 /nfs/dbraw/zinc/07/21/19/828072119.db2.gz ZXVUFDQRIZVWDS-NSHDSACASA-N 1 3 271.792 1.058 10 30 CDEEHO C=C(Cl)CNC(N[C@@H]1CN(C(C)C)C[C@H]1C)=[NH+]C ZINC000262019999 828089939 /nfs/dbraw/zinc/08/99/39/828089939.db2.gz YPAOYXDTRYLGRA-ZYHUDNBSSA-N 1 3 272.824 1.633 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001567016757 1168512082 /nfs/dbraw/zinc/51/20/82/1168512082.db2.gz MFIVJGLECSUOPS-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001266517476 895196657 /nfs/dbraw/zinc/19/66/57/895196657.db2.gz KICUVBJWKKTRGP-CABCVRRESA-N 1 3 297.418 1.128 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001266517476 895196650 /nfs/dbraw/zinc/19/66/50/895196650.db2.gz KICUVBJWKKTRGP-CABCVRRESA-N 1 3 297.418 1.128 10 30 CDEEHO CC#CCN[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001266964748 896456996 /nfs/dbraw/zinc/45/69/96/896456996.db2.gz NZUYEAOUNKIWQR-HUUCEWRRSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CCN[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001266964748 896457002 /nfs/dbraw/zinc/45/70/02/896457002.db2.gz NZUYEAOUNKIWQR-HUUCEWRRSA-N 1 3 279.428 1.226 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267578968 898508824 /nfs/dbraw/zinc/50/88/24/898508824.db2.gz ASUQCLUTIUBGFV-KGLIPLIRSA-N 1 3 265.401 1.047 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267578968 898508827 /nfs/dbraw/zinc/50/88/27/898508827.db2.gz ASUQCLUTIUBGFV-KGLIPLIRSA-N 1 3 265.401 1.047 10 30 CDEEHO C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267595352 898644769 /nfs/dbraw/zinc/64/47/69/898644769.db2.gz QWWYPHHRGXUYRC-CABCVRRESA-N 1 3 279.428 1.034 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267595352 898644778 /nfs/dbraw/zinc/64/47/78/898644778.db2.gz QWWYPHHRGXUYRC-CABCVRRESA-N 1 3 279.428 1.034 10 30 CDEEHO CC#CC[NH2+]C[C@](C)(NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001267857555 899881737 /nfs/dbraw/zinc/88/17/37/899881737.db2.gz BOADHYDOQDQSIH-PBHICJAKSA-N 1 3 291.439 1.226 10 30 CDEEHO C#CCC[NH2+]CCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001267918038 899972351 /nfs/dbraw/zinc/97/23/51/899972351.db2.gz YNOXVYYFIGVJSU-INIZCTEOSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@@H](F)CN(CC)CC)CCCC1 ZINC001268035605 900689998 /nfs/dbraw/zinc/68/99/98/900689998.db2.gz OBBYQLNGKPZQTL-AWEZNQCLSA-N 1 3 297.418 1.318 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001268067315 901090279 /nfs/dbraw/zinc/09/02/79/901090279.db2.gz FBWBRSDNROPEKX-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001268249372 901665242 /nfs/dbraw/zinc/66/52/42/901665242.db2.gz SAQBIMRKPMBVGM-OAHLLOKOSA-N 1 3 283.460 1.929 10 30 CDEEHO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001268249372 901665246 /nfs/dbraw/zinc/66/52/46/901665246.db2.gz SAQBIMRKPMBVGM-OAHLLOKOSA-N 1 3 283.460 1.929 10 30 CDEEHO C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268746559 903074927 /nfs/dbraw/zinc/07/49/27/903074927.db2.gz LOHRRWJVDBTSPN-XJKSGUPXSA-N 1 3 299.434 1.821 10 30 CDEEHO C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268746559 903074939 /nfs/dbraw/zinc/07/49/39/903074939.db2.gz LOHRRWJVDBTSPN-XJKSGUPXSA-N 1 3 299.434 1.821 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001270021838 904280505 /nfs/dbraw/zinc/28/05/05/904280505.db2.gz JHCUILPQNJKSRR-CABCVRRESA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001270194952 904433270 /nfs/dbraw/zinc/43/32/70/904433270.db2.gz YEJSDVYQDHEYLP-CQSZACIVSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001270420259 904625067 /nfs/dbraw/zinc/62/50/67/904625067.db2.gz RHLWENAHNNRCFA-LSDHHAIUSA-N 1 3 281.444 1.779 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567943928 1169085393 /nfs/dbraw/zinc/08/53/93/1169085393.db2.gz JGIOLXWFLFELBM-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567943928 1169085402 /nfs/dbraw/zinc/08/54/02/1169085402.db2.gz JGIOLXWFLFELBM-LSDHHAIUSA-N 1 3 279.428 1.437 10 30 CDEEHO C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H](CC)N(C)C ZINC001273578254 921406524 /nfs/dbraw/zinc/40/65/24/921406524.db2.gz OLWWYRLPEYTYJM-CQSZACIVSA-N 1 3 267.417 1.130 10 30 CDEEHO C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H](CC)N(C)C ZINC001273578254 921406526 /nfs/dbraw/zinc/40/65/26/921406526.db2.gz OLWWYRLPEYTYJM-CQSZACIVSA-N 1 3 267.417 1.130 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001483384906 911039631 /nfs/dbraw/zinc/03/96/31/911039631.db2.gz SRGASQDIUIQLKX-CQSZACIVSA-N 1 3 283.460 1.977 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001483384906 911039651 /nfs/dbraw/zinc/03/96/51/911039651.db2.gz SRGASQDIUIQLKX-CQSZACIVSA-N 1 3 283.460 1.977 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001483443629 911125518 /nfs/dbraw/zinc/12/55/18/911125518.db2.gz MNFJTLSNGAECNR-ZIAGYGMSSA-N 1 3 290.411 1.711 10 30 CDEEHO C#CC[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001485102884 916501854 /nfs/dbraw/zinc/50/18/54/916501854.db2.gz VVLGMOZNTOLMMH-UHFFFAOYSA-N 1 3 279.428 1.082 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCCC)CC1 ZINC001485387677 916938439 /nfs/dbraw/zinc/93/84/39/916938439.db2.gz HLGFTUGGGZNOGF-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CCCC)CC1 ZINC001485387677 916938451 /nfs/dbraw/zinc/93/84/51/916938451.db2.gz HLGFTUGGGZNOGF-HNNXBMFYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCNC1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCC1 ZINC001273141073 922836971 /nfs/dbraw/zinc/83/69/71/922836971.db2.gz HKKOBYZNIHLMHM-HNNXBMFYSA-N 1 3 291.439 1.370 10 30 CDEEHO C#CCNC1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCC1 ZINC001273141073 922836985 /nfs/dbraw/zinc/83/69/85/922836985.db2.gz HKKOBYZNIHLMHM-HNNXBMFYSA-N 1 3 291.439 1.370 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001491251413 936883934 /nfs/dbraw/zinc/88/39/34/936883934.db2.gz PQUCVJIIKMGRGV-MRXNPFEDSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCC[NH2+]CCN(CC)C(=O)C1(N(C)C)CCC1 ZINC001273420397 926981585 /nfs/dbraw/zinc/98/15/85/926981585.db2.gz MBNAOTFJXSQFRI-UHFFFAOYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001276468627 939767535 /nfs/dbraw/zinc/76/75/35/939767535.db2.gz LNRPOOGQVMVWIU-AWEZNQCLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001279581702 942395246 /nfs/dbraw/zinc/39/52/46/942395246.db2.gz GUWYEVXKFUNTHE-INIZCTEOSA-N 1 3 293.455 1.897 10 30 CDEEHO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001279581702 942395251 /nfs/dbraw/zinc/39/52/51/942395251.db2.gz GUWYEVXKFUNTHE-INIZCTEOSA-N 1 3 293.455 1.897 10 30 CDEEHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001277360029 942425352 /nfs/dbraw/zinc/42/53/52/942425352.db2.gz NEVAOCNXCKCRDO-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001277360029 942425355 /nfs/dbraw/zinc/42/53/55/942425355.db2.gz NEVAOCNXCKCRDO-CVEARBPZSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702744 944474280 /nfs/dbraw/zinc/47/42/80/944474280.db2.gz HJIYSLFMOUJTCO-GJZGRUSLSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702744 944474282 /nfs/dbraw/zinc/47/42/82/944474282.db2.gz HJIYSLFMOUJTCO-GJZGRUSLSA-N 1 3 291.439 1.321 10 30 CDEEHO C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001266103499 944683247 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ZINC001492251916 955756725 /nfs/dbraw/zinc/75/67/25/955756725.db2.gz AZINFMORYBSLRA-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001492251916 955756736 /nfs/dbraw/zinc/75/67/36/955756736.db2.gz AZINFMORYBSLRA-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001492303820 955788973 /nfs/dbraw/zinc/78/89/73/955788973.db2.gz PPWSMJXWPVJILA-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001492303820 955788988 /nfs/dbraw/zinc/78/89/88/955788988.db2.gz PPWSMJXWPVJILA-LSDHHAIUSA-N 1 3 277.412 1.075 10 30 CDEEHO N#C[C@H]1CC[C@H](N2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001422429549 955996151 /nfs/dbraw/zinc/99/61/51/955996151.db2.gz ARDBIVUIPOBISF-HOTGVXAUSA-N 1 3 291.439 1.991 10 30 CDEEHO C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)CN(C)C(C)C ZINC001317434255 957469048 /nfs/dbraw/zinc/46/90/48/957469048.db2.gz KXUKLJSKPNTQML-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO 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C#C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417597 830015249 /nfs/dbraw/zinc/01/52/49/830015249.db2.gz AYXRTPNRSWSVQM-CABCVRRESA-N 1 3 264.413 1.877 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000876745706 830040458 /nfs/dbraw/zinc/04/04/58/830040458.db2.gz KCTAQDOBTGQTCW-AWEZNQCLSA-N 1 3 299.846 1.933 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000876745706 830040468 /nfs/dbraw/zinc/04/04/68/830040468.db2.gz KCTAQDOBTGQTCW-AWEZNQCLSA-N 1 3 299.846 1.933 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000876772010 830570033 /nfs/dbraw/zinc/57/00/33/830570033.db2.gz FOOSDBKGNPALAO-TUAOUCFPSA-N 1 3 273.808 1.397 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000876772010 830570046 /nfs/dbraw/zinc/57/00/46/830570046.db2.gz FOOSDBKGNPALAO-TUAOUCFPSA-N 1 3 273.808 1.397 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000876504352 833634446 /nfs/dbraw/zinc/63/44/46/833634446.db2.gz 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C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001481741000 901985392 /nfs/dbraw/zinc/98/53/92/901985392.db2.gz HKSPZWQFFGVDBC-HZPDHXFCSA-N 1 3 293.455 1.663 10 30 CDEEHO C=CCN1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001481775389 902115392 /nfs/dbraw/zinc/11/53/92/902115392.db2.gz UYAMRGDIQRUVOS-CYBMUJFWSA-N 1 3 253.390 1.047 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001268630941 902845061 /nfs/dbraw/zinc/84/50/61/902845061.db2.gz SZXPBKTVFIKJCF-WAYWQWQTSA-N 1 3 277.412 1.148 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268690553 902970472 /nfs/dbraw/zinc/97/04/72/902970472.db2.gz TXNSHJGYXUOQRH-STQMWFEESA-N 1 3 255.406 1.243 10 30 CDEEHO C=CCN(C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001268756973 903096465 /nfs/dbraw/zinc/09/64/65/903096465.db2.gz PKXBKAOBMUVBKG-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001270419919 904625102 /nfs/dbraw/zinc/62/51/02/904625102.db2.gz NGXSPQLOJKTEMU-ZDUSSCGKSA-N 1 3 267.417 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CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001489208710 926827195 /nfs/dbraw/zinc/82/71/95/926827195.db2.gz ZXZMKWISISJCMS-CVEARBPZSA-N 1 3 291.439 1.130 10 30 CDEEHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001489208710 926827214 /nfs/dbraw/zinc/82/72/14/926827214.db2.gz ZXZMKWISISJCMS-CVEARBPZSA-N 1 3 291.439 1.130 10 30 CDEEHO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001489350060 926879788 /nfs/dbraw/zinc/87/97/88/926879788.db2.gz NXQRWSMPQKNOSE-HUUCEWRRSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001489350060 926879796 /nfs/dbraw/zinc/87/97/96/926879796.db2.gz NXQRWSMPQKNOSE-HUUCEWRRSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001274632669 931526099 /nfs/dbraw/zinc/52/60/99/931526099.db2.gz AXJXAOXYCDPAOB-GJZGRUSLSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001274632669 931526102 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C=CCN1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001279582538 942396261 /nfs/dbraw/zinc/39/62/61/942396261.db2.gz QUWGDELFEVXVPR-HNNXBMFYSA-N 1 3 279.428 1.507 10 30 CDEEHO C=CC[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001283239811 942863673 /nfs/dbraw/zinc/86/36/73/942863673.db2.gz PGUSOVCSHIGMCV-KGLIPLIRSA-N 1 3 267.417 1.389 10 30 CDEEHO C=CCC[N@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001284957663 943302411 /nfs/dbraw/zinc/30/24/11/943302411.db2.gz UDIPFXWHKMPHBP-HNNXBMFYSA-N 1 3 279.428 1.651 10 30 CDEEHO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001284957663 943302416 /nfs/dbraw/zinc/30/24/16/943302416.db2.gz UDIPFXWHKMPHBP-HNNXBMFYSA-N 1 3 279.428 1.651 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@H](F)CN(CC)CC)C(C)(C)C ZINC001332804841 943305810 /nfs/dbraw/zinc/30/58/10/943305810.db2.gz BKSUMTHFKPMAAO-ZIAGYGMSSA-N 1 3 299.434 1.420 10 30 CDEEHO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001265330165 944347440 /nfs/dbraw/zinc/34/74/40/944347440.db2.gz VBZLQQXYSHLNBZ-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001266023441 944637654 /nfs/dbraw/zinc/63/76/54/944637654.db2.gz LSHYDSFJKNCJGU-MRXNPFEDSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001278301158 945541158 /nfs/dbraw/zinc/54/11/58/945541158.db2.gz LCQFQSHKZCZORC-OCCSQVGLSA-N 1 3 276.384 1.497 10 30 CDEEHO C#CC[NH2+][C@H]1CCCCCN(C(=O)CN(C)CCC)C1 ZINC001479694094 971370102 /nfs/dbraw/zinc/37/01/02/971370102.db2.gz LDPNLRCVESMZJX-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C#CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001324867343 953614005 /nfs/dbraw/zinc/61/40/05/953614005.db2.gz CWJWVGTZCWYFQL-HNNXBMFYSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCC1 ZINC001326899938 954607179 /nfs/dbraw/zinc/60/71/79/954607179.db2.gz RADRZPUJDMIDRJ-HNNXBMFYSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CC[N@@H+](C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001327277137 954807067 /nfs/dbraw/zinc/80/70/67/954807067.db2.gz MMBCEHUTEQKDPX-UHFFFAOYSA-N 1 3 279.428 1.132 10 30 CDEEHO C#CC[N@H+](C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001327277137 954807076 /nfs/dbraw/zinc/80/70/76/954807076.db2.gz MMBCEHUTEQKDPX-UHFFFAOYSA-N 1 3 279.428 1.132 10 30 CDEEHO C#CCN(C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001491952902 955542737 /nfs/dbraw/zinc/54/27/37/955542737.db2.gz UDNVQLLRUCZMPG-HNNXBMFYSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCN(C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001491952902 955542745 /nfs/dbraw/zinc/54/27/45/955542745.db2.gz UDNVQLLRUCZMPG-HNNXBMFYSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317336328 956187056 /nfs/dbraw/zinc/18/70/56/956187056.db2.gz IBAKFKCLQICJRA-HNNXBMFYSA-N 1 3 295.471 1.979 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001317158585 956991128 /nfs/dbraw/zinc/99/11/28/956991128.db2.gz USGPRQYLNMUXEO-JKSUJKDBSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317061779 957239352 /nfs/dbraw/zinc/23/93/52/957239352.db2.gz IXLPHYSFGRHXDL-QLFBSQMISA-N 1 3 279.428 1.626 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001317076052 957252657 /nfs/dbraw/zinc/25/26/57/957252657.db2.gz LMJRXFFROSPZBQ-KKUMJFAQSA-N 1 3 279.428 1.672 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001317294678 957407225 /nfs/dbraw/zinc/40/72/25/957407225.db2.gz OZJOCTYBYDZPHG-CQSZACIVSA-N 1 3 291.439 1.226 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001317535928 957534016 /nfs/dbraw/zinc/53/40/16/957534016.db2.gz KVYVSKYNFRCDFW-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001317535928 957534019 /nfs/dbraw/zinc/53/40/19/957534019.db2.gz KVYVSKYNFRCDFW-AWEZNQCLSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCN1CCC ZINC001494985744 972364426 /nfs/dbraw/zinc/36/44/26/972364426.db2.gz 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C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001570609136 1170210690 /nfs/dbraw/zinc/21/06/90/1170210690.db2.gz XSRVMKNKRPIVQN-VXGBXAGGSA-N 1 3 253.390 1.140 10 30 CDEEHO CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001571664639 1170514387 /nfs/dbraw/zinc/51/43/87/1170514387.db2.gz PLWVHDKTSCKVRV-YMAMQOFZSA-N 1 3 279.428 1.175 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000594427575 342897320 /nfs/dbraw/zinc/89/73/20/342897320.db2.gz VEVXWLAXPWWPDV-CYBMUJFWSA-N 1 3 260.341 1.495 10 30 CDEEHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)CC[N@@H+]1C ZINC000594437390 342905845 /nfs/dbraw/zinc/90/58/45/342905845.db2.gz BQZMJVUBGZMKCG-RDBSUJKOSA-N 1 3 280.416 1.339 10 30 CDEEHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)CC[N@H+]1C ZINC000594437390 342905846 /nfs/dbraw/zinc/90/58/46/342905846.db2.gz BQZMJVUBGZMKCG-RDBSUJKOSA-N 1 3 280.416 1.339 10 30 CDEEHO CC(C)C[NH+]1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594441257 342907316 /nfs/dbraw/zinc/90/73/16/342907316.db2.gz PXCOVNXGLHFOHY-OAHLLOKOSA-N 1 3 294.443 1.634 10 30 CDEEHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594441300 342907533 /nfs/dbraw/zinc/90/75/33/342907533.db2.gz QPNGPHKHUIYCNY-KBPBESRZSA-N 1 3 280.416 1.244 10 30 CDEEHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594441300 342907534 /nfs/dbraw/zinc/90/75/34/342907534.db2.gz QPNGPHKHUIYCNY-KBPBESRZSA-N 1 3 280.416 1.244 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000594441690 342907684 /nfs/dbraw/zinc/90/76/84/342907684.db2.gz UUXXLUJJENTGOQ-OAHLLOKOSA-N 1 3 292.427 1.388 10 30 CDEEHO C[C@@H](C#N)CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596692419 343373568 /nfs/dbraw/zinc/37/35/68/343373568.db2.gz FXTGFVLAMSAYNJ-KBPBESRZSA-N 1 3 297.447 1.059 10 30 CDEEHO C[C@@H](C#N)CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596692419 343373569 /nfs/dbraw/zinc/37/35/69/343373569.db2.gz FXTGFVLAMSAYNJ-KBPBESRZSA-N 1 3 297.447 1.059 10 30 CDEEHO C=CCN1CC[C@H](N2CCC(C[NH+](CC)CC)CC2)C1=O ZINC000337138705 360003124 /nfs/dbraw/zinc/00/31/24/360003124.db2.gz PHWLJTLVTKAWNS-INIZCTEOSA-N 1 3 293.455 1.827 10 30 CDEEHO C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001661554514 1172406339 /nfs/dbraw/zinc/40/63/39/1172406339.db2.gz CBNAZLIOBZSJDD-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001661554514 1172406345 /nfs/dbraw/zinc/40/63/45/1172406345.db2.gz CBNAZLIOBZSJDD-JKSUJKDBSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001662126134 1172485889 /nfs/dbraw/zinc/48/58/89/1172485889.db2.gz GNTPRTAEGBOVQY-YMAMQOFZSA-N 1 3 281.444 1.776 10 30 CDEEHO C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001663288906 1172667856 /nfs/dbraw/zinc/66/78/56/1172667856.db2.gz WRZMAIPCUNRZMA-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@H+](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001663288906 1172667860 /nfs/dbraw/zinc/66/78/60/1172667860.db2.gz WRZMAIPCUNRZMA-HNNXBMFYSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001664185819 1172821259 /nfs/dbraw/zinc/82/12/59/1172821259.db2.gz DEKBOWHXXKXXMO-INIZCTEOSA-N 1 3 299.434 1.823 10 30 CDEEHO C=CCC[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001664456848 1172855392 /nfs/dbraw/zinc/85/53/92/1172855392.db2.gz BLSGKWVFICGVCU-ZDUSSCGKSA-N 1 3 290.411 1.745 10 30 CDEEHO C=CC[C@@]1(C(=O)N2CC[C@H](N3CCCCC3)C2)CCC[NH2+]1 ZINC000662718678 413376412 /nfs/dbraw/zinc/37/64/12/413376412.db2.gz RJKNAVSIGHLSLS-RDJZCZTQSA-N 1 3 291.439 1.772 10 30 CDEEHO CN[C@@](C)(C#N)CCN1CCC(C[NH+](C)C)CC1 ZINC000045182199 175325560 /nfs/dbraw/zinc/32/55/60/175325560.db2.gz XJNOMMJBGZITIP-CQSZACIVSA-N 1 3 252.406 1.152 10 30 CDEEHO CN1CC[C@H](C[N@H+](C)Cc2ccc(C#CCO)cc2)C1 ZINC000071190497 176067113 /nfs/dbraw/zinc/06/71/13/176067113.db2.gz OLZMATALTUUUSI-KRWDZBQOSA-N 1 3 272.392 1.414 10 30 CDEEHO CN1CC[C@H](C[N@@H+](C)Cc2ccc(C#CCO)cc2)C1 ZINC000071190497 176067115 /nfs/dbraw/zinc/06/71/15/176067115.db2.gz OLZMATALTUUUSI-KRWDZBQOSA-N 1 3 272.392 1.414 10 30 CDEEHO C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001483227239 1160812647 /nfs/dbraw/zinc/81/26/47/1160812647.db2.gz XYTMRPHMCWWMRA-QWHCGFSZSA-N 1 3 253.390 1.140 10 30 CDEEHO C#CCN1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001671044444 1161412149 /nfs/dbraw/zinc/41/21/49/1161412149.db2.gz HJRIBAKGLIEARN-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO C#CCN1CCC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001671044444 1161412151 /nfs/dbraw/zinc/41/21/51/1161412151.db2.gz HJRIBAKGLIEARN-QGZVFWFLSA-N 1 3 291.439 1.276 10 30 CDEEHO C=C(C)C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001715491978 1179681741 /nfs/dbraw/zinc/68/17/41/1179681741.db2.gz PDIQRSXICAYMBZ-AWEZNQCLSA-N 1 3 281.444 1.777 10 30 CDEEHO CC#CCN1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001733360246 1183409186 /nfs/dbraw/zinc/40/91/86/1183409186.db2.gz PEFCUTAHANANSV-UHFFFAOYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001733768301 1183525685 /nfs/dbraw/zinc/52/56/85/1183525685.db2.gz GTYBAAZQMPDLKL-ZDUSSCGKSA-N 1 3 253.390 1.047 10 30 CDEEHO C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001733768301 1183525686 /nfs/dbraw/zinc/52/56/86/1183525686.db2.gz GTYBAAZQMPDLKL-ZDUSSCGKSA-N 1 3 253.390 1.047 10 30 CDEEHO C[C@H]1CCC[N@@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608289 524120211 /nfs/dbraw/zinc/12/02/11/524120211.db2.gz NUJPNNIDQDBEPT-AWEZNQCLSA-N 1 3 258.365 1.860 10 30 CDEEHO C[C@H]1CCC[N@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608289 524120215 /nfs/dbraw/zinc/12/02/15/524120215.db2.gz NUJPNNIDQDBEPT-AWEZNQCLSA-N 1 3 258.365 1.860 10 30 CDEEHO [NH3+]CC#Cc1ccc(CN2CCCC[C@H]2CCO)c(F)c1 ZINC000049608681 527148331 /nfs/dbraw/zinc/14/83/31/527148331.db2.gz NDGMLHRWPWPNKR-INIZCTEOSA-N 1 3 290.382 1.873 10 30 CDEEHO C=CCCC[N@@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000904471596 626304402 /nfs/dbraw/zinc/30/44/02/626304402.db2.gz JQQXHOJMCJNOBM-CQSZACIVSA-N 1 3 267.417 1.472 10 30 CDEEHO C=CCCC[N@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000904471596 626304406 /nfs/dbraw/zinc/30/44/06/626304406.db2.gz JQQXHOJMCJNOBM-CQSZACIVSA-N 1 3 267.417 1.472 10 30 CDEEHO C=CCN(CC)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691046142 1158722706 /nfs/dbraw/zinc/72/27/06/1158722706.db2.gz ITYCBJJBVYQMCX-UHFFFAOYSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCC[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001772514202 1158530292 /nfs/dbraw/zinc/53/02/92/1158530292.db2.gz NMJAUIZHJGLSCS-AWEZNQCLSA-N 1 3 287.407 1.479 10 30 CDEEHO C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)CCC ZINC001496487057 1159926832 /nfs/dbraw/zinc/92/68/32/1159926832.db2.gz KHNHCMZHVPKJEH-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](CCC)CC1 ZINC000876712156 1165898773 /nfs/dbraw/zinc/89/87/73/1165898773.db2.gz MPPYHNASFMKZCN-LBPRGKRZSA-N 1 3 273.808 1.447 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000876913282 1165938328 /nfs/dbraw/zinc/93/83/28/1165938328.db2.gz PRBIXFLNPISDBX-WDEREUQCSA-N 1 3 259.781 1.090 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001646817463 1168158811 /nfs/dbraw/zinc/15/88/11/1168158811.db2.gz JNSYWZWCWULLJZ-NSHDSACASA-N 1 3 271.792 1.105 10 30 CDEEHO C[C@@H](CC#N)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001647287943 1168527719 /nfs/dbraw/zinc/52/77/19/1168527719.db2.gz OOBOIIDXYVFLNZ-ZDUSSCGKSA-N 1 3 292.427 1.211 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001668279748 1173390229 /nfs/dbraw/zinc/39/02/29/1173390229.db2.gz XDRLZRLLPRCVPP-STQMWFEESA-N 1 3 255.406 1.387 10 30 CDEEHO C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001690574547 1175509821 /nfs/dbraw/zinc/50/98/21/1175509821.db2.gz CKYCWCVDJYQWBQ-QWHCGFSZSA-N 1 3 253.390 1.140 10 30 CDEEHO C=C(C)CN1CC[C@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001691861205 1175638237 /nfs/dbraw/zinc/63/82/37/1175638237.db2.gz RYEAUXUIABSHAI-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001698860759 1175967946 /nfs/dbraw/zinc/96/79/46/1175967946.db2.gz KSDMJUKIZVEAMM-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001698927534 1175986680 /nfs/dbraw/zinc/98/66/80/1175986680.db2.gz FRYGBZOODVJVHQ-GJZGRUSLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001699018049 1176042405 /nfs/dbraw/zinc/04/24/05/1176042405.db2.gz VVYIHPLGHCDKEP-CABCVRRESA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCNC/C=C/CNC(=O)c1ccccc1CC[NH+](C)C ZINC001699324875 1176232217 /nfs/dbraw/zinc/23/22/17/1176232217.db2.gz WALLSZFZWQHQGR-BQYQJAHWSA-N 1 3 299.418 1.300 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001700817926 1177147419 /nfs/dbraw/zinc/14/74/19/1177147419.db2.gz PHLYOQFEQAVIBN-HIFRSBDPSA-N 1 3 277.412 1.073 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001713755655 1178739219 /nfs/dbraw/zinc/73/92/19/1178739219.db2.gz FUIFMDSMUBMXMO-HOTGVXAUSA-N 1 3 293.455 1.685 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001713755655 1178739222 /nfs/dbraw/zinc/73/92/22/1178739222.db2.gz FUIFMDSMUBMXMO-HOTGVXAUSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001714635665 1179286702 /nfs/dbraw/zinc/28/67/02/1179286702.db2.gz PERBLTXVBYLTRO-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001714635665 1179286708 /nfs/dbraw/zinc/28/67/08/1179286708.db2.gz PERBLTXVBYLTRO-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCNC/C=C/CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001715905134 1179906593 /nfs/dbraw/zinc/90/65/93/1179906593.db2.gz WJINQVVZGAZCON-ONEGZZNKSA-N 1 3 289.423 1.004 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001716368431 1180170804 /nfs/dbraw/zinc/17/08/04/1180170804.db2.gz RZAQTBARQCAQQH-JGUVHBTRSA-N 1 3 277.412 1.002 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001725042880 1181832676 /nfs/dbraw/zinc/83/26/76/1181832676.db2.gz QPTAIXHRGSPZOL-HZPDHXFCSA-N 1 3 293.455 1.968 10 30 CDEEHO C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001725042880 1181832680 /nfs/dbraw/zinc/83/26/80/1181832680.db2.gz QPTAIXHRGSPZOL-HZPDHXFCSA-N 1 3 293.455 1.968 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001731994328 1182718510 /nfs/dbraw/zinc/71/85/10/1182718510.db2.gz QGFBEGXBVMSHPA-ZBFHGGJFSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001732542141 1183001362 /nfs/dbraw/zinc/00/13/62/1183001362.db2.gz DDCAOVSTJZHYRQ-TZMCWYRMSA-N 1 3 276.384 1.355 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001733083650 1183281407 /nfs/dbraw/zinc/28/14/07/1183281407.db2.gz NLIKLRFHBKQTLX-HOTGVXAUSA-N 1 3 293.455 1.615 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C1CCCC1 ZINC001733381836 1183414562 /nfs/dbraw/zinc/41/45/62/1183414562.db2.gz SBQOZEGDVHVTED-JKSUJKDBSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)CN1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001734122599 1183666014 /nfs/dbraw/zinc/66/60/14/1183666014.db2.gz QIYHFDNGLSUSKR-CQSZACIVSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CCC)C[C@H]21 ZINC001734451305 1183782167 /nfs/dbraw/zinc/78/21/67/1183782167.db2.gz WPJWCOLVZLSUBJ-ARFHVFGLSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877409717 837822442 /nfs/dbraw/zinc/82/24/42/837822442.db2.gz YUPLEBZAAJVPIE-STQMWFEESA-N 1 3 299.846 1.885 10 30 CDEEHO C#CC[C@@H](Cc1ccccc1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000819304064 836264758 /nfs/dbraw/zinc/26/47/58/836264758.db2.gz BUJSVDMLRAIKPT-FUHWJXTLSA-N 1 3 286.419 1.666 10 30 CDEEHO C#CC[C@@H](Cc1ccccc1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000819304064 836264774 /nfs/dbraw/zinc/26/47/74/836264774.db2.gz BUJSVDMLRAIKPT-FUHWJXTLSA-N 1 3 286.419 1.666 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000848394337 836708896 /nfs/dbraw/zinc/70/88/96/836708896.db2.gz KHPRJRAQYJBFSV-AWEZNQCLSA-N 1 3 290.367 1.374 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872277044 837373350 /nfs/dbraw/zinc/37/33/50/837373350.db2.gz OBXVASQKKCGDER-GHMZBOCLSA-N 1 3 273.808 1.351 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000876884203 839130610 /nfs/dbraw/zinc/13/06/10/839130610.db2.gz OHCUNWOMTHTSKS-DLOVCJGASA-N 1 3 273.808 1.255 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000876884203 839130627 /nfs/dbraw/zinc/13/06/27/839130627.db2.gz OHCUNWOMTHTSKS-DLOVCJGASA-N 1 3 273.808 1.255 10 30 CDEEHO C=CCN(CC=C)C(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923505057 840228503 /nfs/dbraw/zinc/22/85/03/840228503.db2.gz XFDGAFXHXUVBLF-KGLIPLIRSA-N 1 3 265.401 1.104 10 30 CDEEHO CC[NH+]=C(NC1CC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261949612 841547030 /nfs/dbraw/zinc/54/70/30/841547030.db2.gz GYKYVJAKYXSNEA-DGCLKSJQSA-N 1 3 252.406 1.433 10 30 CDEEHO C[C@H](CNC(=[NH2+])NC1CCCCC1)CN1CCN(C)CC1 ZINC000303886804 841575188 /nfs/dbraw/zinc/57/51/88/841575188.db2.gz NZXRUYMHFYDIRR-CQSZACIVSA-N 1 3 295.475 1.107 10 30 CDEEHO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H](CC)N(C)C ZINC001492819304 977769553 /nfs/dbraw/zinc/76/95/53/977769553.db2.gz QMHHPBXVYFJVFE-CYBMUJFWSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)CC[N@H+](C)CCNC(=O)[C@@H](CC)N(C)C ZINC001492819304 977769558 /nfs/dbraw/zinc/76/95/58/977769558.db2.gz QMHHPBXVYFJVFE-CYBMUJFWSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001565938103 1168071475 /nfs/dbraw/zinc/07/14/75/1168071475.db2.gz FMSYZIOVRUDIEO-DZGCQCFKSA-N 1 3 290.411 1.745 10 30 CDEEHO CC#CC[NH2+][C@H]1CCCCCN(C(=O)CN(C)CCC)C1 ZINC001566074890 1168226031 /nfs/dbraw/zinc/22/60/31/1168226031.db2.gz CWTOSXRSXVUGJQ-INIZCTEOSA-N 1 3 293.455 1.712 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267456119 897931474 /nfs/dbraw/zinc/93/14/74/897931474.db2.gz LZXHBETXVJYUBR-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267545182 898310355 /nfs/dbraw/zinc/31/03/55/898310355.db2.gz PJVOZTLIUSRQID-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001267545182 898310367 /nfs/dbraw/zinc/31/03/67/898310367.db2.gz PJVOZTLIUSRQID-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[N@@H+](CCNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001481186289 899083502 /nfs/dbraw/zinc/08/35/02/899083502.db2.gz NPWRPZTXVVXWDN-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[N@H+](CCNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001481186289 899083514 /nfs/dbraw/zinc/08/35/14/899083514.db2.gz NPWRPZTXVVXWDN-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001267953425 900052616 /nfs/dbraw/zinc/05/26/16/900052616.db2.gz MWGDWWAGMTVQIS-KGLIPLIRSA-N 1 3 265.401 1.237 10 30 CDEEHO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001481497719 900924918 /nfs/dbraw/zinc/92/49/18/900924918.db2.gz LIIJLHDWEDSLGH-CABCVRRESA-N 1 3 279.428 1.130 10 30 CDEEHO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001481497719 900924932 /nfs/dbraw/zinc/92/49/32/900924932.db2.gz LIIJLHDWEDSLGH-CABCVRRESA-N 1 3 279.428 1.130 10 30 CDEEHO C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001268404210 902002607 /nfs/dbraw/zinc/00/26/07/902002607.db2.gz RPKKBDLETWEQPH-JKSUJKDBSA-N 1 3 293.455 1.757 10 30 CDEEHO C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H](CC)N(C)C ZINC001268457899 902161386 /nfs/dbraw/zinc/16/13/86/902161386.db2.gz AXHXXXWVUDAMSJ-CYBMUJFWSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001498658913 902929839 /nfs/dbraw/zinc/92/98/39/902929839.db2.gz UAPZIUORAYLNHE-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C#CCC[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001269588711 903954129 /nfs/dbraw/zinc/95/41/29/903954129.db2.gz UHJNWUOQCZNTGV-AWEZNQCLSA-N 1 3 279.428 1.369 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001270403817 904609013 /nfs/dbraw/zinc/60/90/13/904609013.db2.gz MVVXVHBJTCTLIO-HNNXBMFYSA-N 1 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C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276970465 941751891 /nfs/dbraw/zinc/75/18/91/941751891.db2.gz RAGQNMAVVQBWMS-ZIAGYGMSSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276970465 941751894 /nfs/dbraw/zinc/75/18/94/941751894.db2.gz RAGQNMAVVQBWMS-ZIAGYGMSSA-N 1 3 265.401 1.095 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001281404536 942273492 /nfs/dbraw/zinc/27/34/92/942273492.db2.gz BIESVOZQPGVBHO-ZBFHGGJFSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[N@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001279574801 942395463 /nfs/dbraw/zinc/39/54/63/942395463.db2.gz WLCJATORJAZUFL-UHFFFAOYSA-N 1 3 291.439 1.795 10 30 CDEEHO C=C(C)C[N@@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001279574801 942395466 /nfs/dbraw/zinc/39/54/66/942395466.db2.gz WLCJATORJAZUFL-UHFFFAOYSA-N 1 3 291.439 1.795 10 30 CDEEHO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001277937971 944126322 /nfs/dbraw/zinc/12/63/22/944126322.db2.gz MADSDLJFHCNVNU-BBRMVZONSA-N 1 3 297.418 1.269 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001265623923 944449647 /nfs/dbraw/zinc/44/96/47/944449647.db2.gz GWBZUNCTYFROOY-OAHLLOKOSA-N 1 3 293.455 1.426 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001266007492 944626594 /nfs/dbraw/zinc/62/65/94/944626594.db2.gz ZIGGAQJPGJNXCM-UKRRQHHQSA-N 1 3 290.411 1.888 10 30 CDEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480089678 971572301 /nfs/dbraw/zinc/57/23/01/971572301.db2.gz NTQVJSXXMKQSNT-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480089678 971572307 /nfs/dbraw/zinc/57/23/07/971572307.db2.gz NTQVJSXXMKQSNT-INIZCTEOSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001480158218 971607168 /nfs/dbraw/zinc/60/71/68/971607168.db2.gz LDUVLLOOUHODKU-IHRRRGAJSA-N 1 3 267.417 1.530 10 30 CDEEHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480205435 971627110 /nfs/dbraw/zinc/62/71/10/971627110.db2.gz XZQBWABBWWOXBO-GASCZTMLSA-N 1 3 291.439 1.511 10 30 CDEEHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001326398347 954360626 /nfs/dbraw/zinc/36/06/26/954360626.db2.gz PVEOYQHMLAYKRN-MRXNPFEDSA-N 1 3 293.455 1.733 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001327212891 954773068 /nfs/dbraw/zinc/77/30/68/954773068.db2.gz LGXARNRHAZSIGW-JKSUJKDBSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CCN(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001327212891 954773079 /nfs/dbraw/zinc/77/30/79/954773079.db2.gz LGXARNRHAZSIGW-JKSUJKDBSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CCN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001491772525 955414086 /nfs/dbraw/zinc/41/40/86/955414086.db2.gz NBNWHQQBCMBNIT-HNNXBMFYSA-N 1 3 277.412 1.076 10 30 CDEEHO C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491964672 955551534 /nfs/dbraw/zinc/55/15/34/955551534.db2.gz AEJGJOKUIXPYLB-HNNXBMFYSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491964672 955551545 /nfs/dbraw/zinc/55/15/45/955551545.db2.gz AEJGJOKUIXPYLB-HNNXBMFYSA-N 1 3 279.428 1.273 10 30 CDEEHO C=CCN1CCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001317180676 957325810 /nfs/dbraw/zinc/32/58/10/957325810.db2.gz LYXMHRVDAMBJNR-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001317195200 957336132 /nfs/dbraw/zinc/33/61/32/957336132.db2.gz NOJJZJABVRVUEJ-HNNXBMFYSA-N 1 3 290.411 1.889 10 30 CDEEHO C=CCN1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001332198090 957475639 /nfs/dbraw/zinc/47/56/39/957475639.db2.gz HYADBFLMNIYNLL-UONOGXRCSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001317879853 957707264 /nfs/dbraw/zinc/70/72/64/957707264.db2.gz LMAWLTTUESIWGC-MRXNPFEDSA-N 1 3 293.455 1.376 10 30 CDEEHO C#CC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001317879853 957707274 /nfs/dbraw/zinc/70/72/74/957707274.db2.gz LMAWLTTUESIWGC-MRXNPFEDSA-N 1 3 293.455 1.376 10 30 CDEEHO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001320646824 959295403 /nfs/dbraw/zinc/29/54/03/959295403.db2.gz YSJFTPXCDWMYKG-ZIAGYGMSSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CC[NH2+]CC1(NC(=O)[C@@H](F)CN(CC)CC)CCCC1 ZINC001495161466 972431189 /nfs/dbraw/zinc/43/11/89/972431189.db2.gz HQXCWNXOPVSKDY-AWEZNQCLSA-N 1 3 297.418 1.318 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001342646278 963787447 /nfs/dbraw/zinc/78/74/47/963787447.db2.gz RLUUSSMWCFWBGN-AVGNSLFASA-N 1 3 253.390 1.113 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)CCC ZINC001496915887 973144033 /nfs/dbraw/zinc/14/40/33/973144033.db2.gz NKWMUOKEFBMVPZ-HUUCEWRRSA-N 1 3 279.428 1.226 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001501149679 974541921 /nfs/dbraw/zinc/54/19/21/974541921.db2.gz FSCHHKVHWXGFEK-LSDHHAIUSA-N 1 3 279.428 1.036 10 30 CDEEHO C=CCCC[N@@H+](C)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001506045673 975100295 /nfs/dbraw/zinc/10/02/95/975100295.db2.gz BIVHCGUCEKNRQQ-GFCCVEGCSA-N 1 3 278.400 1.663 10 30 CDEEHO C=CCCC[N@H+](C)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001506045673 975100298 /nfs/dbraw/zinc/10/02/98/975100298.db2.gz BIVHCGUCEKNRQQ-GFCCVEGCSA-N 1 3 278.400 1.663 10 30 CDEEHO C#CC[NH2+][C@H](CCN(C)C(=O)CN(C)C1CCC1)C(C)C ZINC001506179445 975121450 /nfs/dbraw/zinc/12/14/50/975121450.db2.gz PHEZBUIKEGSVTE-MRXNPFEDSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C ZINC001508039977 975585068 /nfs/dbraw/zinc/58/50/68/975585068.db2.gz VHBBPSVZSFZHAT-KGLIPLIRSA-N 1 3 283.460 1.879 10 30 CDEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001406076922 976005057 /nfs/dbraw/zinc/00/50/57/976005057.db2.gz VOOZZZGTNIFQGE-QWHCGFSZSA-N 1 3 287.835 1.421 10 30 CDEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001406076922 976005071 /nfs/dbraw/zinc/00/50/71/976005071.db2.gz VOOZZZGTNIFQGE-QWHCGFSZSA-N 1 3 287.835 1.421 10 30 CDEEHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001656843226 1171885249 /nfs/dbraw/zinc/88/52/49/1171885249.db2.gz QMBRSUGLMHRPSS-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001656843226 1171885259 /nfs/dbraw/zinc/88/52/59/1171885259.db2.gz QMBRSUGLMHRPSS-CVEARBPZSA-N 1 3 291.439 1.132 10 30 CDEEHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCCC#N)[C@H](C)C1 ZINC000594439643 342906526 /nfs/dbraw/zinc/90/65/26/342906526.db2.gz TZYJFZPZGKVFGJ-KFWWJZLASA-N 1 3 294.443 1.586 10 30 CDEEHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCCC#N)[C@H](C)C1 ZINC000594439643 342906527 /nfs/dbraw/zinc/90/65/27/342906527.db2.gz TZYJFZPZGKVFGJ-KFWWJZLASA-N 1 3 294.443 1.586 10 30 CDEEHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H](N)CCCCC#N ZINC000594440651 342907091 /nfs/dbraw/zinc/90/70/91/342907091.db2.gz HJQAUYWMZOKEMJ-KGLIPLIRSA-N 1 3 280.416 1.198 10 30 CDEEHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](N)CCCCC#N ZINC000594440651 342907092 /nfs/dbraw/zinc/90/70/92/342907092.db2.gz HJQAUYWMZOKEMJ-KGLIPLIRSA-N 1 3 280.416 1.198 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000594452245 342910396 /nfs/dbraw/zinc/91/03/96/342910396.db2.gz GDZGIRXXRXKESG-JVWICGRDSA-N 1 3 278.400 1.128 10 30 CDEEHO C[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)[C@H]1CC[NH3+] ZINC000594454117 342911124 /nfs/dbraw/zinc/91/11/24/342911124.db2.gz TYNDOECTADRUMN-RDBSUJKOSA-N 1 3 280.416 1.374 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000600715714 342244182 /nfs/dbraw/zinc/24/41/82/342244182.db2.gz HTNJTICWTVGNMH-IHRRRGAJSA-N 1 3 263.385 1.258 10 30 CDEEHO N#CC1(C[C@H](O)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000600715714 342244183 /nfs/dbraw/zinc/24/41/83/342244183.db2.gz HTNJTICWTVGNMH-IHRRRGAJSA-N 1 3 263.385 1.258 10 30 CDEEHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721071 342244772 /nfs/dbraw/zinc/24/47/72/342244772.db2.gz KUJGAIRPKWGVSJ-KBPBESRZSA-N 1 3 265.401 1.363 10 30 CDEEHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721071 342244773 /nfs/dbraw/zinc/24/47/73/342244773.db2.gz KUJGAIRPKWGVSJ-KBPBESRZSA-N 1 3 265.401 1.363 10 30 CDEEHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721071 342244774 /nfs/dbraw/zinc/24/47/74/342244774.db2.gz KUJGAIRPKWGVSJ-KBPBESRZSA-N 1 3 265.401 1.363 10 30 CDEEHO N#CCc1cccc2c1CCN(CCN1CC[NH2+]CC1)C2 ZINC000600752444 342248255 /nfs/dbraw/zinc/24/82/55/342248255.db2.gz XJNLPRLBJGGSFJ-UHFFFAOYSA-N 1 3 284.407 1.016 10 30 CDEEHO CN(C)CCC[N@H+](C)CCNc1ccc(F)cc1C#N ZINC000596424274 343311595 /nfs/dbraw/zinc/31/15/95/343311595.db2.gz FMHHZELFDYJRML-UHFFFAOYSA-N 1 3 278.375 1.993 10 30 CDEEHO CN(C)CCC[N@@H+](C)CCNc1ccc(F)cc1C#N ZINC000596424274 343311596 /nfs/dbraw/zinc/31/15/96/343311596.db2.gz FMHHZELFDYJRML-UHFFFAOYSA-N 1 3 278.375 1.993 10 30 CDEEHO N#Cc1ccc2c(c1)CCC[C@@H]2NCCOCCC[NH3+] ZINC000600710048 349876794 /nfs/dbraw/zinc/87/67/94/349876794.db2.gz NOQZKVAKNSSPEG-INIZCTEOSA-N 1 3 273.380 1.891 10 30 CDEEHO CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000601976114 344305135 /nfs/dbraw/zinc/30/51/35/344305135.db2.gz ROFUUCRHXMKXGQ-CHWSQXEVSA-N 1 3 280.416 1.292 10 30 CDEEHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166180 198188312 /nfs/dbraw/zinc/18/83/12/198188312.db2.gz PAJCQONYXSTJCS-DLBZAZTESA-N 1 3 285.391 1.619 10 30 CDEEHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166180 198188313 /nfs/dbraw/zinc/18/83/13/198188313.db2.gz PAJCQONYXSTJCS-DLBZAZTESA-N 1 3 285.391 1.619 10 30 CDEEHO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000629650148 363249986 /nfs/dbraw/zinc/24/99/86/363249986.db2.gz PIDZUWFOMXYAAO-KGLIPLIRSA-N 1 3 265.401 1.082 10 30 CDEEHO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000629650148 363249992 /nfs/dbraw/zinc/24/99/92/363249992.db2.gz PIDZUWFOMXYAAO-KGLIPLIRSA-N 1 3 265.401 1.082 10 30 CDEEHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000358594743 373965058 /nfs/dbraw/zinc/96/50/58/373965058.db2.gz TWPJHBAYRATECE-GFCCVEGCSA-N 1 3 291.370 1.805 10 30 CDEEHO C=CC[C@@]1(C(=O)NC[C@@H]2CCCN2CC)CCC[NH2+]1 ZINC000662661194 413265600 /nfs/dbraw/zinc/26/56/00/413265600.db2.gz MIUXJPZPNHPCCE-ZFWWWQNUSA-N 1 3 265.401 1.285 10 30 CDEEHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001699859851 1176654010 /nfs/dbraw/zinc/65/40/10/1176654010.db2.gz UVEZNHOYPPZETG-MRXNPFEDSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001715518283 1179694124 /nfs/dbraw/zinc/69/41/24/1179694124.db2.gz ADPGSGGIVPXTOJ-AWEZNQCLSA-N 1 3 269.433 1.539 10 30 CDEEHO C=CCC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001715518283 1179694129 /nfs/dbraw/zinc/69/41/29/1179694129.db2.gz ADPGSGGIVPXTOJ-AWEZNQCLSA-N 1 3 269.433 1.539 10 30 CDEEHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001715655147 1179754838 /nfs/dbraw/zinc/75/48/38/1179754838.db2.gz KSXJRPYGFKGSGG-GFCCVEGCSA-N 1 3 287.835 1.708 10 30 CDEEHO CC[NH+]1CCC(CNCc2ccnc(C#N)c2)CC1 ZINC000068754393 521550989 /nfs/dbraw/zinc/55/09/89/521550989.db2.gz DAUUOQSIXJRTCI-UHFFFAOYSA-N 1 3 258.369 1.775 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753074 613745418 /nfs/dbraw/zinc/74/54/18/613745418.db2.gz JNUWZHMWTHGHGG-RBSFLKMASA-N 1 3 293.455 1.729 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753074 613745419 /nfs/dbraw/zinc/74/54/19/613745419.db2.gz JNUWZHMWTHGHGG-RBSFLKMASA-N 1 3 293.455 1.729 10 30 CDEEHO C=C(CC[NH+](C)C)C(=O)N(CCC)CCN(C)C ZINC000900586927 623261372 /nfs/dbraw/zinc/26/13/72/623261372.db2.gz SQJLZECJWMUNQS-UHFFFAOYSA-N 1 3 255.406 1.295 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000876939992 630585941 /nfs/dbraw/zinc/58/59/41/630585941.db2.gz OEVHKEHTULBDBG-LBPRGKRZSA-N 1 3 273.808 1.399 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000876939992 630585943 /nfs/dbraw/zinc/58/59/43/630585943.db2.gz OEVHKEHTULBDBG-LBPRGKRZSA-N 1 3 273.808 1.399 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691196587 1158954825 /nfs/dbraw/zinc/95/48/25/1158954825.db2.gz VCFJXYSPSYASMS-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691196587 1158954828 /nfs/dbraw/zinc/95/48/28/1158954828.db2.gz VCFJXYSPSYASMS-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001569308262 1169757691 /nfs/dbraw/zinc/75/76/91/1169757691.db2.gz YAMFUAGWDSRBJL-GJZGRUSLSA-N 1 3 279.428 1.080 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC=C)CC1 ZINC001570654064 1170224286 /nfs/dbraw/zinc/22/42/86/1170224286.db2.gz ZNIYOTHMKOPJKX-GJZGRUSLSA-N 1 3 291.439 1.391 10 30 CDEEHO C=CCN1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001570907997 1170318198 /nfs/dbraw/zinc/31/81/98/1170318198.db2.gz SJLDGVRPWDPQRD-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001656234228 1171797348 /nfs/dbraw/zinc/79/73/48/1171797348.db2.gz CLDFYWIAVGZMSF-JOCQHMNTSA-N 1 3 276.384 1.321 10 30 CDEEHO C#CC[NH2+]Cc1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001666333062 1173127318 /nfs/dbraw/zinc/12/73/18/1173127318.db2.gz CSTCTSDFPAHEJV-UHFFFAOYSA-N 1 3 299.418 1.510 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]C(C)C)CC1 ZINC001666673833 1173169238 /nfs/dbraw/zinc/16/92/38/1173169238.db2.gz XACYDRVWBLPQAK-AWEZNQCLSA-N 1 3 279.428 1.082 10 30 CDEEHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CN(C)C1CCC1 ZINC001667092658 1173234008 /nfs/dbraw/zinc/23/40/08/1173234008.db2.gz MOKVBSIILXMYBT-AWEZNQCLSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001691978986 1175662113 /nfs/dbraw/zinc/66/21/13/1175662113.db2.gz BWNHUAWVCLIFDQ-HZPDHXFCSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001691978986 1175662117 /nfs/dbraw/zinc/66/21/17/1175662117.db2.gz BWNHUAWVCLIFDQ-HZPDHXFCSA-N 1 3 291.439 1.132 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001698767761 1175925253 /nfs/dbraw/zinc/92/52/53/1175925253.db2.gz JNNACLZUSZDCNG-CQSZACIVSA-N 1 3 281.444 1.330 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001699969908 1176702229 /nfs/dbraw/zinc/70/22/29/1176702229.db2.gz QGQACAGWRLNHMH-LSDHHAIUSA-N 1 3 293.455 1.282 10 30 CDEEHO C#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001699989658 1176708685 /nfs/dbraw/zinc/70/86/85/1176708685.db2.gz LFZHBAHHQYNUJB-OWCLPIDISA-N 1 3 291.439 1.130 10 30 CDEEHO CC#CC[N@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001700191066 1176792894 /nfs/dbraw/zinc/79/28/94/1176792894.db2.gz PLTGVJNKTGCQTE-UHFFFAOYSA-N 1 3 279.428 1.274 10 30 CDEEHO CC#CC[N@@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001700191066 1176792899 /nfs/dbraw/zinc/79/28/99/1176792899.db2.gz PLTGVJNKTGCQTE-UHFFFAOYSA-N 1 3 279.428 1.274 10 30 CDEEHO C=CCCN1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001707062273 1177935041 /nfs/dbraw/zinc/93/50/41/1177935041.db2.gz MHPSDYPVICOUSS-INIZCTEOSA-N 1 3 293.455 1.971 10 30 CDEEHO C=C(C)C[NH+]1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001713053216 1178331792 /nfs/dbraw/zinc/33/17/92/1178331792.db2.gz QTCXPAHZXRSIIW-UHFFFAOYSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001714278873 1179063179 /nfs/dbraw/zinc/06/31/79/1179063179.db2.gz PJJQXOWXQZTGCH-LSDHHAIUSA-N 1 3 281.444 1.921 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001714497183 1179170923 /nfs/dbraw/zinc/17/09/23/1179170923.db2.gz NIQYIOHULDKAFM-UHFFFAOYSA-N 1 3 277.412 1.123 10 30 CDEEHO C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001715798104 1179826750 /nfs/dbraw/zinc/82/67/50/1179826750.db2.gz JMZXGNXLCRDORL-UZYOAWRESA-N 1 3 265.401 1.309 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001715928750 1179922515 /nfs/dbraw/zinc/92/25/15/1179922515.db2.gz XIEHXLNMZLGGEJ-KGLIPLIRSA-N 1 3 267.417 1.530 10 30 CDEEHO C=CCCCN1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001716661160 1180345835 /nfs/dbraw/zinc/34/58/35/1180345835.db2.gz FTJDACGOCKJCIO-ZDUSSCGKSA-N 1 3 253.390 1.095 10 30 CDEEHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001716902666 1180458159 /nfs/dbraw/zinc/45/81/59/1180458159.db2.gz LIRPDQGFSVFRRX-INIZCTEOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001716902666 1180458164 /nfs/dbraw/zinc/45/81/64/1180458164.db2.gz LIRPDQGFSVFRRX-INIZCTEOSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCN1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001717202368 1180569686 /nfs/dbraw/zinc/56/96/86/1180569686.db2.gz RFGBSGGGUANVSH-INIZCTEOSA-N 1 3 291.439 1.466 10 30 CDEEHO C#CCC[N@@H+](C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001717213278 1180577094 /nfs/dbraw/zinc/57/70/94/1180577094.db2.gz GXHPYERCIBKIFL-UHFFFAOYSA-N 1 3 293.455 1.522 10 30 CDEEHO C#CCC[N@H+](C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001717213278 1180577098 /nfs/dbraw/zinc/57/70/98/1180577098.db2.gz GXHPYERCIBKIFL-UHFFFAOYSA-N 1 3 293.455 1.522 10 30 CDEEHO C=C(C)C[N@H+](CC)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001731316490 1182314412 /nfs/dbraw/zinc/31/44/12/1182314412.db2.gz ASDPFZHPMGBQKR-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)C[N@@H+](CC)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001731316490 1182314419 /nfs/dbraw/zinc/31/44/19/1182314419.db2.gz ASDPFZHPMGBQKR-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001732077890 1182755550 /nfs/dbraw/zinc/75/55/50/1182755550.db2.gz HNZQDSOGZNOMOF-INIZCTEOSA-N 1 3 293.455 1.685 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001732077890 1182755554 /nfs/dbraw/zinc/75/55/54/1182755554.db2.gz HNZQDSOGZNOMOF-INIZCTEOSA-N 1 3 293.455 1.685 10 30 CDEEHO CC#CCNC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001733249531 1183370465 /nfs/dbraw/zinc/37/04/65/1183370465.db2.gz DHGWCDCMLIDPRC-UHFFFAOYSA-N 1 3 277.412 1.123 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876756758 844270853 /nfs/dbraw/zinc/27/08/53/844270853.db2.gz XWHMYTSXSGSJOT-ZBFHGGJFSA-N 1 3 277.412 1.285 10 30 CDEEHO CC1(N2CCC2)CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000880475169 843014093 /nfs/dbraw/zinc/01/40/93/843014093.db2.gz BEWLTXPRXVNQMH-CQSZACIVSA-N 1 3 277.412 1.601 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC000876709303 843484266 /nfs/dbraw/zinc/48/42/66/843484266.db2.gz OIBNQBLBPMZNFW-LLVKDONJSA-N 1 3 259.781 1.057 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000876535530 844901709 /nfs/dbraw/zinc/90/17/09/844901709.db2.gz JMFYJYHMWWXVBG-CMPLNLGQSA-N 1 3 261.797 1.336 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000876772714 845904109 /nfs/dbraw/zinc/90/41/09/845904109.db2.gz RLMJXNMEWLZCBK-QWRGUYRKSA-N 1 3 275.824 1.549 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000876956906 846590766 /nfs/dbraw/zinc/59/07/66/846590766.db2.gz RJMZDXHJHRHHTP-AVGNSLFASA-N 1 3 285.819 1.589 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000876956906 846590771 /nfs/dbraw/zinc/59/07/71/846590771.db2.gz RJMZDXHJHRHHTP-AVGNSLFASA-N 1 3 285.819 1.589 10 30 CDEEHO C[NH+]=C(NCC(C)(C)C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000245615541 846598272 /nfs/dbraw/zinc/59/82/72/846598272.db2.gz MOCLIRIKESYXTP-CHWSQXEVSA-N 1 3 268.449 1.926 10 30 CDEEHO CC1(N2CCC2)CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000880475166 846643900 /nfs/dbraw/zinc/64/39/00/846643900.db2.gz BEWLTXPRXVNQMH-AWEZNQCLSA-N 1 3 277.412 1.601 10 30 CDEEHO C=CCN(CC=C)C(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923505056 846790567 /nfs/dbraw/zinc/79/05/67/846790567.db2.gz XFDGAFXHXUVBLF-KBPBESRZSA-N 1 3 265.401 1.104 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000876867042 847419352 /nfs/dbraw/zinc/41/93/52/847419352.db2.gz PCXNKXRWLWXZEI-GFCCVEGCSA-N 1 3 265.744 1.698 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000876722855 847450167 /nfs/dbraw/zinc/45/01/67/847450167.db2.gz GSRLTDZLQVZTFR-VXGBXAGGSA-N 1 3 273.808 1.447 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000876722855 847450177 /nfs/dbraw/zinc/45/01/77/847450177.db2.gz GSRLTDZLQVZTFR-VXGBXAGGSA-N 1 3 273.808 1.447 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000876530278 847888758 /nfs/dbraw/zinc/88/87/58/847888758.db2.gz RVUSFITTYHJBQR-LBPRGKRZSA-N 1 3 279.771 1.741 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000876898776 847973364 /nfs/dbraw/zinc/97/33/64/847973364.db2.gz VRBKPDHZCXMPKT-LLVKDONJSA-N 1 3 259.781 1.009 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000876898776 847973368 /nfs/dbraw/zinc/97/33/68/847973368.db2.gz VRBKPDHZCXMPKT-LLVKDONJSA-N 1 3 259.781 1.009 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001266423063 894797029 /nfs/dbraw/zinc/79/70/29/894797029.db2.gz ZZZVPJAVVJCGCU-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001266423063 894797039 /nfs/dbraw/zinc/79/70/39/894797039.db2.gz ZZZVPJAVVJCGCU-LSDHHAIUSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001266877945 896267860 /nfs/dbraw/zinc/26/78/60/896267860.db2.gz HIAWCDUSEURFOH-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001267493221 898149098 /nfs/dbraw/zinc/14/90/98/898149098.db2.gz DPBZNHIPRBYRIW-GDBMZVCRSA-N 1 3 293.455 1.423 10 30 CDEEHO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001481497721 900926050 /nfs/dbraw/zinc/92/60/50/900926050.db2.gz LIIJLHDWEDSLGH-GJZGRUSLSA-N 1 3 279.428 1.130 10 30 CDEEHO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001481497721 900926058 /nfs/dbraw/zinc/92/60/58/900926058.db2.gz LIIJLHDWEDSLGH-GJZGRUSLSA-N 1 3 279.428 1.130 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001268698158 902983314 /nfs/dbraw/zinc/98/33/14/902983314.db2.gz OCCKJJRXOWAJIG-AWEZNQCLSA-N 1 3 281.444 1.921 10 30 CDEEHO C=CC[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001269935129 904220308 /nfs/dbraw/zinc/22/03/08/904220308.db2.gz JOCBJONMLPIKDJ-MRXNPFEDSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001271181991 906150919 /nfs/dbraw/zinc/15/09/19/906150919.db2.gz PNOFYVFFKOKHEM-KGLIPLIRSA-N 1 3 267.417 1.032 10 30 CDEEHO CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C(C)C ZINC001482529613 906843619 /nfs/dbraw/zinc/84/36/19/906843619.db2.gz KIUUFISIBGGVFX-HOTGVXAUSA-N 1 3 293.455 1.613 10 30 CDEEHO C#CCCN(C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001482642579 908106433 /nfs/dbraw/zinc/10/64/33/908106433.db2.gz MIUAKWQUPFQILL-HOTGVXAUSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CC[NH2+]C/C=C/CNC(=O)CN(C)CC(C)(C)C ZINC001483061186 909206602 /nfs/dbraw/zinc/20/66/02/909206602.db2.gz SRRIVCYCJDSJCS-BQYQJAHWSA-N 1 3 267.417 1.412 10 30 CDEEHO C[NH+](C)C1(C)CCC(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000715518581 919319999 /nfs/dbraw/zinc/31/99/99/919319999.db2.gz LCZQUUGTNSJSGP-JVWICGRDSA-N 1 3 280.416 1.387 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](CC)N(C)C ZINC001485831578 919484137 /nfs/dbraw/zinc/48/41/37/919484137.db2.gz DQZIWHOHGKTLSQ-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)C[N@@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001273560684 921014912 /nfs/dbraw/zinc/01/49/12/921014912.db2.gz PVOAMNNGDAAIOB-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO C=C(C)C[N@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001273560684 921014924 /nfs/dbraw/zinc/01/49/24/921014924.db2.gz PVOAMNNGDAAIOB-HNNXBMFYSA-N 1 3 281.444 1.685 10 30 CDEEHO CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001568433591 1169285583 /nfs/dbraw/zinc/28/55/83/1169285583.db2.gz DFSRAUHHNFWTDA-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCCN1CC ZINC001490281787 927076951 /nfs/dbraw/zinc/07/69/51/927076951.db2.gz NDIFGVLQFIQMIQ-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCCN1CC ZINC001490281787 927076967 /nfs/dbraw/zinc/07/69/67/927076967.db2.gz NDIFGVLQFIQMIQ-HNNXBMFYSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001275009497 931632425 /nfs/dbraw/zinc/63/24/25/931632425.db2.gz IQYHATGDUFLQOP-HNNXBMFYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+](C)C ZINC001275071608 931651957 /nfs/dbraw/zinc/65/19/57/931651957.db2.gz FDVJKEFCTIGIJF-NVXWUHKLSA-N 1 3 287.407 1.496 10 30 CDEEHO C=CC[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001276226084 932662581 /nfs/dbraw/zinc/66/25/81/932662581.db2.gz AUOMADJQNNFQDG-UHFFFAOYSA-N 1 3 269.433 1.588 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001122202582 937912768 /nfs/dbraw/zinc/91/27/68/937912768.db2.gz NUIXMXOYWDFORU-KGLIPLIRSA-N 1 3 295.427 1.026 10 30 CDEEHO CC#CC[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001281499701 942585872 /nfs/dbraw/zinc/58/58/72/942585872.db2.gz DLOBGXQZNGKLAP-UHFFFAOYSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001281663256 942605855 /nfs/dbraw/zinc/60/58/55/942605855.db2.gz BRMYCSIZJHKYMR-KBPBESRZSA-N 1 3 279.428 1.626 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001281663256 942605858 /nfs/dbraw/zinc/60/58/58/942605858.db2.gz BRMYCSIZJHKYMR-KBPBESRZSA-N 1 3 279.428 1.626 10 30 CDEEHO C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001282270788 942685390 /nfs/dbraw/zinc/68/53/90/942685390.db2.gz BYSQWEBDRRMAHB-GPANFISMSA-N 1 3 293.455 1.709 10 30 CDEEHO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001283939869 943032205 /nfs/dbraw/zinc/03/22/05/943032205.db2.gz NSIDSMSLUZXUMM-LSDHHAIUSA-N 1 3 297.443 1.108 10 30 CDEEHO C=CCCC[C@H](N)C(=O)NCC1CC[NH+](CCC)CC1 ZINC001263096910 943743250 /nfs/dbraw/zinc/74/32/50/943743250.db2.gz GPVTYCFAGZDOHN-HNNXBMFYSA-N 1 3 281.444 1.908 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001265088171 944226305 /nfs/dbraw/zinc/22/63/05/944226305.db2.gz AMPKPJWHIPFZJR-ZFWWWQNUSA-N 1 3 288.395 1.335 10 30 CDEEHO C=CCC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001265590559 944440922 /nfs/dbraw/zinc/44/09/22/944440922.db2.gz CHXOQZUBPGORDB-HZPDHXFCSA-N 1 3 293.455 1.733 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001265590559 944440927 /nfs/dbraw/zinc/44/09/27/944440927.db2.gz CHXOQZUBPGORDB-HZPDHXFCSA-N 1 3 293.455 1.733 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001265688052 944470066 /nfs/dbraw/zinc/47/00/66/944470066.db2.gz LPEDNQLQTPQXBA-CABCVRRESA-N 1 3 279.428 1.321 10 30 CDEEHO C=CCC[NH2+]C1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001265743091 944486220 /nfs/dbraw/zinc/48/62/20/944486220.db2.gz BGWDCYWDEFGUOR-YMAMQOFZSA-N 1 3 281.444 1.920 10 30 CDEEHO CC#CC[N@H+](CC)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001266102525 944684156 /nfs/dbraw/zinc/68/41/56/944684156.db2.gz BEVBAJVLAVPXBO-OAHLLOKOSA-N 1 3 281.444 1.424 10 30 CDEEHO CC#CC[N@@H+](CC)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001266102525 944684161 /nfs/dbraw/zinc/68/41/61/944684161.db2.gz BEVBAJVLAVPXBO-OAHLLOKOSA-N 1 3 281.444 1.424 10 30 CDEEHO C#CCC[NH2+][C@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001266144443 944711259 /nfs/dbraw/zinc/71/12/59/944711259.db2.gz RNBGTBAIDYKCEP-OAHLLOKOSA-N 1 3 293.455 1.759 10 30 CDEEHO C=CC[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001569038182 1169607169 /nfs/dbraw/zinc/60/71/69/1169607169.db2.gz GEJDIGYIPBFPLA-CYBMUJFWSA-N 1 3 275.396 1.642 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001480209281 971628530 /nfs/dbraw/zinc/62/85/30/971628530.db2.gz PFRXZCJYIKBYLI-ZNMIVQPWSA-N 1 3 281.444 1.776 10 30 CDEEHO CC#CC[N@H+](C)CCCN(C)C(=O)CN(C)C(C)C ZINC001327290528 954815157 /nfs/dbraw/zinc/81/51/57/954815157.db2.gz FRCLAQMLMMCUKN-UHFFFAOYSA-N 1 3 267.417 1.130 10 30 CDEEHO CC#CC[N@@H+](C)CCCN(C)C(=O)CN(C)C(C)C ZINC001327290528 954815161 /nfs/dbraw/zinc/81/51/61/954815161.db2.gz FRCLAQMLMMCUKN-UHFFFAOYSA-N 1 3 267.417 1.130 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)CCC ZINC001329170581 955732926 /nfs/dbraw/zinc/73/29/26/955732926.db2.gz IOASSMHXFLKECD-STQMWFEESA-N 1 3 255.406 1.387 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001494021975 972163983 /nfs/dbraw/zinc/16/39/83/972163983.db2.gz QCHGMUNUGGPBHS-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001494021975 972163986 /nfs/dbraw/zinc/16/39/86/972163986.db2.gz QCHGMUNUGGPBHS-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[N@H+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001317487334 956682594 /nfs/dbraw/zinc/68/25/94/956682594.db2.gz LAONMIWLLIHTKV-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(C)C[N@@H+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001317487334 956682600 /nfs/dbraw/zinc/68/26/00/956682600.db2.gz LAONMIWLLIHTKV-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001317312728 957417179 /nfs/dbraw/zinc/41/71/79/957417179.db2.gz LBLUUCGUCBJGKZ-CABCVRRESA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCCN(C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001317452817 957486534 /nfs/dbraw/zinc/48/65/34/957486534.db2.gz IEOVVRMALJBRAN-UHFFFAOYSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCCN(C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001317452817 957486537 /nfs/dbraw/zinc/48/65/37/957486537.db2.gz IEOVVRMALJBRAN-UHFFFAOYSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[N@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001317810839 957674599 /nfs/dbraw/zinc/67/45/99/957674599.db2.gz GHUWBFNTMNMTAJ-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001317810839 957674606 /nfs/dbraw/zinc/67/46/06/957674606.db2.gz GHUWBFNTMNMTAJ-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCN1CCC ZINC001494987201 972363902 /nfs/dbraw/zinc/36/39/02/972363902.db2.gz HQKUKWCFLMJJSM-KGLIPLIRSA-N 1 3 267.417 1.531 10 30 CDEEHO CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCN1CCC ZINC001494985746 972365090 /nfs/dbraw/zinc/36/50/90/972365090.db2.gz BMNIUVMFVAVZBI-HUUCEWRRSA-N 1 3 279.428 1.369 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321097536 959591834 /nfs/dbraw/zinc/59/18/34/959591834.db2.gz OZKGLXJPSMPZBU-LLYBFZRZSA-N 1 3 277.412 1.146 10 30 CDEEHO CC#CCNC/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001321097536 959591840 /nfs/dbraw/zinc/59/18/40/959591840.db2.gz OZKGLXJPSMPZBU-LLYBFZRZSA-N 1 3 277.412 1.146 10 30 CDEEHO C=CCN1CCC(NC(=O)[C@@H]2[NH2+]CC23CCCC3)CC1 ZINC001343099012 963905279 /nfs/dbraw/zinc/90/52/79/963905279.db2.gz NPALCSTTYYPWTR-AWEZNQCLSA-N 1 3 277.412 1.285 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001523567952 970735468 /nfs/dbraw/zinc/73/54/68/970735468.db2.gz SJZVLWANEFLMNW-ZDUSSCGKSA-N 1 3 269.433 1.716 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCCC1 ZINC001495957091 972718957 /nfs/dbraw/zinc/71/89/57/972718957.db2.gz AXNSFYZSIOHDDO-AWEZNQCLSA-N 1 3 279.428 1.224 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001497993229 973603907 /nfs/dbraw/zinc/60/39/07/973603907.db2.gz NGFSCJCXNFGQTN-CYBMUJFWSA-N 1 3 255.406 1.387 10 30 CDEEHO C#CC[N@@H+](C)C1CCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001506959215 975273119 /nfs/dbraw/zinc/27/31/19/975273119.db2.gz ZGVOZWQFNOBTPO-OAHLLOKOSA-N 1 3 297.418 1.222 10 30 CDEEHO C#CC[N@H+](C)C1CCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001506959215 975273127 /nfs/dbraw/zinc/27/31/27/975273127.db2.gz ZGVOZWQFNOBTPO-OAHLLOKOSA-N 1 3 297.418 1.222 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001674457865 1173948554 /nfs/dbraw/zinc/94/85/54/1173948554.db2.gz OMSHFSVDMSYZJR-AWEZNQCLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001674457865 1173948556 /nfs/dbraw/zinc/94/85/56/1173948556.db2.gz OMSHFSVDMSYZJR-AWEZNQCLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCCN1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001656088071 1171763464 /nfs/dbraw/zinc/76/34/64/1171763464.db2.gz GDAVKQIBMQWYFJ-AWEZNQCLSA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001657070685 1171921270 /nfs/dbraw/zinc/92/12/70/1171921270.db2.gz AJOOEYXMWPWUCC-HNNXBMFYSA-N 1 3 281.444 1.827 10 30 CDEEHO CC1CC[NH+](CCCNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594441768 342907717 /nfs/dbraw/zinc/90/77/17/342907717.db2.gz WPPIFOWGVBRYPM-OAHLLOKOSA-N 1 3 294.443 1.636 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001661738564 1172437933 /nfs/dbraw/zinc/43/79/33/1172437933.db2.gz ILFAJBTUEYLHLR-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001661738564 1172437939 /nfs/dbraw/zinc/43/79/39/1172437939.db2.gz ILFAJBTUEYLHLR-KBPBESRZSA-N 1 3 267.417 1.341 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662694943 413328761 /nfs/dbraw/zinc/32/87/61/413328761.db2.gz FAOVEBTXLQPOPD-HLLBOEOZSA-N 1 3 293.455 1.921 10 30 CDEEHO CC[NH+](CC)CCOc1ccc(F)cc1C#CCN ZINC000037548068 173264871 /nfs/dbraw/zinc/26/48/71/173264871.db2.gz CWARUGZQKSCJJZ-UHFFFAOYSA-N 1 3 264.344 1.857 10 30 CDEEHO CN1CC[C@@H](C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000071189131 176064624 /nfs/dbraw/zinc/06/46/24/176064624.db2.gz SFFSEPVDDJCZIN-ZBFHGGJFSA-N 1 3 273.380 1.475 10 30 CDEEHO CN1CC[C@@H](C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000071189131 176064625 /nfs/dbraw/zinc/06/46/25/176064625.db2.gz SFFSEPVDDJCZIN-ZBFHGGJFSA-N 1 3 273.380 1.475 10 30 CDEEHO N#C[C@@H]1CCC[C@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC000333616997 228207126 /nfs/dbraw/zinc/20/71/26/228207126.db2.gz SVRXRRDWDRWLDR-YPMHNXCESA-N 1 3 288.399 1.444 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001666808851 1173186452 /nfs/dbraw/zinc/18/64/52/1173186452.db2.gz QVEGLZNSRICYDR-UHFFFAOYSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCOc1ccccc1CNCCN1CC[NH2+]CC1 ZINC000414869881 263084782 /nfs/dbraw/zinc/08/47/82/263084782.db2.gz RUNFMWODDCBMQW-UHFFFAOYSA-N 1 3 275.396 1.246 10 30 CDEEHO N#Cc1ccc(C2(NCCC[NH3+])CCOCC2)cc1 ZINC000530235077 268211594 /nfs/dbraw/zinc/21/15/94/268211594.db2.gz UVUYTRSZPGRBOH-UHFFFAOYSA-N 1 3 259.353 1.502 10 30 CDEEHO C[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262675075 330026175 /nfs/dbraw/zinc/02/61/75/330026175.db2.gz ABJOXOHPVRLFEG-YRGRVCCFSA-N 1 3 264.417 1.577 10 30 CDEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CC12CCCC2 ZINC000263270284 330051352 /nfs/dbraw/zinc/05/13/52/330051352.db2.gz OYZOCQAENICIFY-OLZOCXBDSA-N 1 3 264.417 1.708 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000424167554 330309863 /nfs/dbraw/zinc/30/98/63/330309863.db2.gz CRCFYHXPJPBSCO-XQLPTFJDSA-N 1 3 250.386 1.794 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424167554 330309864 /nfs/dbraw/zinc/30/98/64/330309864.db2.gz CRCFYHXPJPBSCO-XQLPTFJDSA-N 1 3 250.386 1.794 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424167554 330309865 /nfs/dbraw/zinc/30/98/65/330309865.db2.gz CRCFYHXPJPBSCO-XQLPTFJDSA-N 1 3 250.386 1.794 10 30 CDEEHO C=C(C)[C@H](CO)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000678049604 482910816 /nfs/dbraw/zinc/91/08/16/482910816.db2.gz MQBSBAAGLANERK-KBMXLJTQSA-N 1 3 264.413 1.872 10 30 CDEEHO C=C(C)[C@H](CO)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000678049604 482910822 /nfs/dbraw/zinc/91/08/22/482910822.db2.gz MQBSBAAGLANERK-KBMXLJTQSA-N 1 3 264.413 1.872 10 30 CDEEHO C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001717472731 1180692667 /nfs/dbraw/zinc/69/26/67/1180692667.db2.gz QNHLLPMUQLAWJK-UONOGXRCSA-N 1 3 267.417 1.482 10 30 CDEEHO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001717472731 1180692669 /nfs/dbraw/zinc/69/26/69/1180692669.db2.gz QNHLLPMUQLAWJK-UONOGXRCSA-N 1 3 267.417 1.482 10 30 CDEEHO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(F)cc1C#CCN ZINC000049561926 524161609 /nfs/dbraw/zinc/16/16/09/524161609.db2.gz OXBMFLVSDJDEDL-GFCCVEGCSA-N 1 3 291.370 1.206 10 30 CDEEHO C=C(C)CN1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690049437 1175357324 /nfs/dbraw/zinc/35/73/24/1175357324.db2.gz SCPBJJQUJXAPDL-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001670469710 1158612909 /nfs/dbraw/zinc/61/29/09/1158612909.db2.gz KVWIMVHESIQFPV-GJZGRUSLSA-N 1 3 279.428 1.530 10 30 CDEEHO C=C(C)C[N@H+](CC)CCNC(=O)CN(C)CC(C)(C)C ZINC001266418063 1158539624 /nfs/dbraw/zinc/53/96/24/1158539624.db2.gz NSLVDDMEMUAYIL-UHFFFAOYSA-N 1 3 283.460 1.979 10 30 CDEEHO C=C(C)C[N@@H+](CC)CCNC(=O)CN(C)CC(C)(C)C ZINC001266418063 1158539627 /nfs/dbraw/zinc/53/96/27/1158539627.db2.gz NSLVDDMEMUAYIL-UHFFFAOYSA-N 1 3 283.460 1.979 10 30 CDEEHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001699021131 1159206420 /nfs/dbraw/zinc/20/64/20/1159206420.db2.gz RASBNIJXZNEJSP-HUUCEWRRSA-N 1 3 279.428 1.435 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001699021131 1159206425 /nfs/dbraw/zinc/20/64/25/1159206425.db2.gz RASBNIJXZNEJSP-HUUCEWRRSA-N 1 3 279.428 1.435 10 30 CDEEHO C=C(C)CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481196569 1159552510 /nfs/dbraw/zinc/55/25/10/1159552510.db2.gz KPWADOLFUQFFLS-ZDUSSCGKSA-N 1 3 265.401 1.095 10 30 CDEEHO C=C(C)CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001481196569 1159552514 /nfs/dbraw/zinc/55/25/14/1159552514.db2.gz KPWADOLFUQFFLS-ZDUSSCGKSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001275732936 1166703433 /nfs/dbraw/zinc/70/34/33/1166703433.db2.gz MLALWTQSEIFTHN-HNNXBMFYSA-N 1 3 295.471 1.670 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001570015714 1170059615 /nfs/dbraw/zinc/05/96/15/1170059615.db2.gz OLUNHYBKMHOZBX-HNNXBMFYSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001570958239 1170322335 /nfs/dbraw/zinc/32/23/35/1170322335.db2.gz MJSVJRMVLOLHHT-XQLPTFJDSA-N 1 3 279.428 1.053 10 30 CDEEHO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001570958239 1170322342 /nfs/dbraw/zinc/32/23/42/1170322342.db2.gz MJSVJRMVLOLHHT-XQLPTFJDSA-N 1 3 279.428 1.053 10 30 CDEEHO C=C(C)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001656469033 1171828517 /nfs/dbraw/zinc/82/85/17/1171828517.db2.gz CBWMLIYMKAYOAN-UHFFFAOYSA-N 1 3 252.402 1.875 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001690757443 1175565018 /nfs/dbraw/zinc/56/50/18/1175565018.db2.gz JAGIVCRJKHBJHW-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001690861214 1175593452 /nfs/dbraw/zinc/59/34/52/1175593452.db2.gz VSPXKIVQLHFWCZ-CHWSQXEVSA-N 1 3 255.406 1.243 10 30 CDEEHO C=C(C)C[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001698635058 1175881458 /nfs/dbraw/zinc/88/14/58/1175881458.db2.gz WFWFHQGNTWEDNE-OAHLLOKOSA-N 1 3 293.455 1.923 10 30 CDEEHO C=CCC[NH2+]C[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001698772692 1175926501 /nfs/dbraw/zinc/92/65/01/1175926501.db2.gz MKGCSFQHGREVLJ-LLVKDONJSA-N 1 3 264.373 1.179 10 30 CDEEHO C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001699758364 1176610692 /nfs/dbraw/zinc/61/06/92/1176610692.db2.gz JHEUXLFJYOXMBT-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCC1 ZINC001700140029 1176766669 /nfs/dbraw/zinc/76/66/69/1176766669.db2.gz AABKLAYGLJOQJQ-UHFFFAOYSA-N 1 3 276.384 1.465 10 30 CDEEHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001700203922 1176797804 /nfs/dbraw/zinc/79/78/04/1176797804.db2.gz WCGAYDGIMRFNRU-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001700203922 1176797808 /nfs/dbraw/zinc/79/78/08/1176797808.db2.gz WCGAYDGIMRFNRU-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001700780037 1177125967 /nfs/dbraw/zinc/12/59/67/1177125967.db2.gz ICBQGOSGORXEIG-ZDUSSCGKSA-N 1 3 255.406 1.339 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001713266488 1178459542 /nfs/dbraw/zinc/45/95/42/1178459542.db2.gz YMPMXBXINQTECI-JKSUJKDBSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+][C@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001714469679 1179157124 /nfs/dbraw/zinc/15/71/24/1179157124.db2.gz QBWZUJWMYJFBAS-CQSZACIVSA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001714569662 1179226699 /nfs/dbraw/zinc/22/66/99/1179226699.db2.gz ANDSLDPCNKDTDW-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)C[N@@H+](CCNC(=O)CN(C)C(C)C)C1CC1 ZINC001714676444 1179316684 /nfs/dbraw/zinc/31/66/84/1179316684.db2.gz RIAYLVRFRHKHDQ-UHFFFAOYSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)C[N@H+](CCNC(=O)CN(C)C(C)C)C1CC1 ZINC001714676444 1179316689 /nfs/dbraw/zinc/31/66/89/1179316689.db2.gz RIAYLVRFRHKHDQ-UHFFFAOYSA-N 1 3 267.417 1.483 10 30 CDEEHO C#CCNCc1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001715197034 1179574298 /nfs/dbraw/zinc/57/42/98/1179574298.db2.gz OUHFTPLQVLTZGH-KRWDZBQOSA-N 1 3 299.418 1.367 10 30 CDEEHO C#CCNCc1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001715197034 1179574302 /nfs/dbraw/zinc/57/43/02/1179574302.db2.gz OUHFTPLQVLTZGH-KRWDZBQOSA-N 1 3 299.418 1.367 10 30 CDEEHO C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001715441616 1179668181 /nfs/dbraw/zinc/66/81/81/1179668181.db2.gz ZOULQXXIJCXPBF-HUUCEWRRSA-N 1 3 279.428 1.177 10 30 CDEEHO CC#CCNCCN(CC)C(=O)CC[NH+]1CCCCC1 ZINC001716255750 1180121855 /nfs/dbraw/zinc/12/18/55/1180121855.db2.gz CFDHKSRXYJPIDU-UHFFFAOYSA-N 1 3 279.428 1.324 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001716479120 1180243091 /nfs/dbraw/zinc/24/30/91/1180243091.db2.gz ZCUBTXXURPNHAH-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001716479120 1180243095 /nfs/dbraw/zinc/24/30/95/1180243095.db2.gz ZCUBTXXURPNHAH-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001716628084 1180314630 /nfs/dbraw/zinc/31/46/30/1180314630.db2.gz XUHAGIYPRMWYIB-KGLIPLIRSA-N 1 3 267.417 1.387 10 30 CDEEHO C=CCCCN1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001716661674 1180345018 /nfs/dbraw/zinc/34/50/18/1180345018.db2.gz RICPOSRWCIVCME-OAHLLOKOSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001724588535 1181699714 /nfs/dbraw/zinc/69/97/14/1181699714.db2.gz VAEAZZKHNCSNMI-GJZGRUSLSA-N 1 3 293.455 1.731 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001731530724 1182437713 /nfs/dbraw/zinc/43/77/13/1182437713.db2.gz LNKPASNHBJYTIJ-HNNXBMFYSA-N 1 3 279.428 1.180 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001732600277 1183042487 /nfs/dbraw/zinc/04/24/87/1183042487.db2.gz MXSLGETWPVCDAH-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001732600277 1183042495 /nfs/dbraw/zinc/04/24/95/1183042495.db2.gz MXSLGETWPVCDAH-OAHLLOKOSA-N 1 3 281.444 1.827 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001734122598 1183666808 /nfs/dbraw/zinc/66/68/08/1183666808.db2.gz QIYHFDNGLSUSKR-AWEZNQCLSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001734404592 1183764413 /nfs/dbraw/zinc/76/44/13/1183764413.db2.gz BCFUFBVAUSIPEI-HUUCEWRRSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CC[C@H]1CCCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878914384 697933379 /nfs/dbraw/zinc/93/33/79/697933379.db2.gz CAYRERBFNYXOLV-AWEZNQCLSA-N 1 3 279.428 1.485 10 30 CDEEHO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000876793335 698918866 /nfs/dbraw/zinc/91/88/66/698918866.db2.gz CAZBJARLRYEYJW-NSHDSACASA-N 1 3 280.759 1.136 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000876712167 849522212 /nfs/dbraw/zinc/52/22/12/849522212.db2.gz MYFIWTOFKDPBDG-LLVKDONJSA-N 1 3 259.781 1.058 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793079 848237581 /nfs/dbraw/zinc/23/75/81/848237581.db2.gz GJCSMYQDTDHMGV-LLVKDONJSA-N 1 3 271.792 1.058 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000876773026 849208777 /nfs/dbraw/zinc/20/87/77/849208777.db2.gz LWRNGBAKANXLKH-KBPBESRZSA-N 1 3 299.846 1.791 10 30 CDEEHO C[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262004625 850360760 /nfs/dbraw/zinc/36/07/60/850360760.db2.gz VIAPSDYRXJXXOX-SOUVJXGZSA-N 1 3 296.459 1.449 10 30 CDEEHO CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001567177225 1168606691 /nfs/dbraw/zinc/60/66/91/1168606691.db2.gz SRMWSQNUKKHYDV-CABCVRRESA-N 1 3 279.428 1.369 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001567324505 1168680310 /nfs/dbraw/zinc/68/03/10/1168680310.db2.gz QPGGJIMJOQAXHC-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCN1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001266853297 896194914 /nfs/dbraw/zinc/19/49/14/896194914.db2.gz JOOIJNVHJSLHSX-CYBMUJFWSA-N 1 3 253.390 1.095 10 30 CDEEHO CC#CCNCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267456120 897931720 /nfs/dbraw/zinc/93/17/20/897931720.db2.gz LZXHBETXVJYUBR-HUUCEWRRSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001267493222 898149161 /nfs/dbraw/zinc/14/91/61/898149161.db2.gz DPBZNHIPRBYRIW-GOEBONIOSA-N 1 3 293.455 1.423 10 30 CDEEHO C#CCC[N@@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001267604318 898793896 /nfs/dbraw/zinc/79/38/96/898793896.db2.gz XNLFUILNSKFYPT-UHFFFAOYSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CCC[N@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001267604318 898793902 /nfs/dbraw/zinc/79/39/02/898793902.db2.gz XNLFUILNSKFYPT-UHFFFAOYSA-N 1 3 293.455 1.520 10 30 CDEEHO C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001267653785 899175936 /nfs/dbraw/zinc/17/59/36/899175936.db2.gz YSPRPOBKVLUHCP-LSDHHAIUSA-N 1 3 297.418 1.080 10 30 CDEEHO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001267653785 899175939 /nfs/dbraw/zinc/17/59/39/899175939.db2.gz YSPRPOBKVLUHCP-LSDHHAIUSA-N 1 3 297.418 1.080 10 30 CDEEHO C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C(C)C ZINC001271836529 906880830 /nfs/dbraw/zinc/88/08/30/906880830.db2.gz AZJMYWBZXXRQIS-JKSUJKDBSA-N 1 3 293.455 1.613 10 30 CDEEHO C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001482587056 907436277 /nfs/dbraw/zinc/43/62/77/907436277.db2.gz XBTJJCYICJMZLU-ZDUSSCGKSA-N 1 3 253.390 1.047 10 30 CDEEHO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001482587056 907436282 /nfs/dbraw/zinc/43/62/82/907436282.db2.gz XBTJJCYICJMZLU-ZDUSSCGKSA-N 1 3 253.390 1.047 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001482698018 908292244 /nfs/dbraw/zinc/29/22/44/908292244.db2.gz IPHYZDOJESYUOF-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CC[NH2+]C/C=C\CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001483060737 909201199 /nfs/dbraw/zinc/20/11/99/909201199.db2.gz OYLRBRBCZJFPCA-WLMCBFPDSA-N 1 3 297.418 1.647 10 30 CDEEHO C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2CC)C1 ZINC001485110345 916536346 /nfs/dbraw/zinc/53/63/46/916536346.db2.gz FPLANOYDIWRTJG-UYSNPLJNSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)C(C)C)CC1 ZINC001485389361 916940745 /nfs/dbraw/zinc/94/07/45/916940745.db2.gz SVRXHWHAPUUDFX-AWEZNQCLSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)C(C)C)CC1 ZINC001485389361 916940755 /nfs/dbraw/zinc/94/07/55/916940755.db2.gz SVRXHWHAPUUDFX-AWEZNQCLSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCN1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001485577862 917105527 /nfs/dbraw/zinc/10/55/27/917105527.db2.gz RMKNDVJEWLZVMK-ZDUSSCGKSA-N 1 3 267.417 1.341 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001485960706 920627813 /nfs/dbraw/zinc/62/78/13/920627813.db2.gz KNLKFGSROQSQPQ-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001486159127 920761250 /nfs/dbraw/zinc/76/12/50/920761250.db2.gz CMPVHHZEARSUGL-NVXWUHKLSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCN1CC[C@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001486159127 920761261 /nfs/dbraw/zinc/76/12/61/920761261.db2.gz CMPVHHZEARSUGL-NVXWUHKLSA-N 1 3 291.439 1.465 10 30 CDEEHO C=CCN1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001486184104 920790569 /nfs/dbraw/zinc/79/05/69/920790569.db2.gz QGSVEOYHVIQWRJ-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001486184104 920790585 /nfs/dbraw/zinc/79/05/85/920790585.db2.gz QGSVEOYHVIQWRJ-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001491244518 936882343 /nfs/dbraw/zinc/88/23/43/936882343.db2.gz NENNWBYECZEQGI-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001491472348 936921613 /nfs/dbraw/zinc/92/16/13/936921613.db2.gz BRJQUINTLOCDCK-UONOGXRCSA-N 1 3 267.417 1.531 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001489206014 926826012 /nfs/dbraw/zinc/82/60/12/926826012.db2.gz JFWVPMDZHXHFRH-CVEARBPZSA-N 1 3 293.455 1.685 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001489206014 926826024 /nfs/dbraw/zinc/82/60/24/926826024.db2.gz JFWVPMDZHXHFRH-CVEARBPZSA-N 1 3 293.455 1.685 10 30 CDEEHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001490570254 927234898 /nfs/dbraw/zinc/23/48/98/927234898.db2.gz VWGLLCJKSOGBPH-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001490570254 927234912 /nfs/dbraw/zinc/23/49/12/927234912.db2.gz VWGLLCJKSOGBPH-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001490608910 927257403 /nfs/dbraw/zinc/25/74/03/927257403.db2.gz HOZKTKRKGTZIIC-OAHLLOKOSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCC[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001490668428 927277080 /nfs/dbraw/zinc/27/70/80/927277080.db2.gz ORFVQZHYPKUNQM-CQSZACIVSA-N 1 3 279.428 1.531 10 30 CDEEHO C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)C(C)C ZINC001319912708 931490924 /nfs/dbraw/zinc/49/09/24/931490924.db2.gz YDFCHVAHHPUOFK-HUUCEWRRSA-N 1 3 281.444 1.776 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001275114314 931668694 /nfs/dbraw/zinc/66/86/94/931668694.db2.gz IBBMAAMOPYRPAJ-OAHLLOKOSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001275114314 931668696 /nfs/dbraw/zinc/66/86/96/931668696.db2.gz IBBMAAMOPYRPAJ-OAHLLOKOSA-N 1 3 279.428 1.580 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001493214939 935881640 /nfs/dbraw/zinc/88/16/40/935881640.db2.gz QUBMESNZJACMQX-CABCVRRESA-N 1 3 279.428 1.034 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001493214939 935881643 /nfs/dbraw/zinc/88/16/43/935881643.db2.gz QUBMESNZJACMQX-CABCVRRESA-N 1 3 279.428 1.034 10 30 CDEEHO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001284001537 943044837 /nfs/dbraw/zinc/04/48/37/943044837.db2.gz BPLAGCZNEMNDQZ-HUUCEWRRSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001265088170 944225249 /nfs/dbraw/zinc/22/52/49/944225249.db2.gz AMPKPJWHIPFZJR-UKRRQHHQSA-N 1 3 288.395 1.335 10 30 CDEEHO C=CCCC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265625939 944450132 /nfs/dbraw/zinc/45/01/32/944450132.db2.gz KVYJZZXDVPBHPR-CQSZACIVSA-N 1 3 290.411 1.747 10 30 CDEEHO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001265655992 944458341 /nfs/dbraw/zinc/45/83/41/944458341.db2.gz UDKJUMMIKFIKTQ-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001265655992 944458346 /nfs/dbraw/zinc/45/83/46/944458346.db2.gz UDKJUMMIKFIKTQ-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001265682561 944468332 /nfs/dbraw/zinc/46/83/32/944468332.db2.gz UGGKESDTECADHH-LSDHHAIUSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266117470 944693384 /nfs/dbraw/zinc/69/33/84/944693384.db2.gz UEYNKKMWFFLNHM-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO CC#CCN(C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001266117470 944693390 /nfs/dbraw/zinc/69/33/90/944693390.db2.gz UEYNKKMWFFLNHM-HNNXBMFYSA-N 1 3 279.428 1.274 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001479386547 971315774 /nfs/dbraw/zinc/31/57/74/971315774.db2.gz UTYBZVGRUYEZSM-SHTZXODSSA-N 1 3 293.455 1.921 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CCCC1 ZINC001324497826 953417663 /nfs/dbraw/zinc/41/76/63/953417663.db2.gz OEORFWSAZJRCJC-HOCLYGCPSA-N 1 3 291.439 1.226 10 30 CDEEHO C=CC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001324886407 953623132 /nfs/dbraw/zinc/62/31/32/953623132.db2.gz JRIWOXXNBJPXQT-OAHLLOKOSA-N 1 3 295.471 1.977 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001325525327 953945898 /nfs/dbraw/zinc/94/58/98/953945898.db2.gz IKTJZPLQKNZQRE-GJZGRUSLSA-N 1 3 291.439 1.178 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001325581657 953971268 /nfs/dbraw/zinc/97/12/68/953971268.db2.gz NGRHTRAFHDVRNP-CABCVRRESA-N 1 3 281.444 1.588 10 30 CDEEHO C=C(C[NH+](C)C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001292282091 954139001 /nfs/dbraw/zinc/13/90/01/954139001.db2.gz KEYYBHDRYYCJFD-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001326928975 954622074 /nfs/dbraw/zinc/62/20/74/954622074.db2.gz TYPHDAMXRGPGBN-UHFFFAOYSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001340165501 956701504 /nfs/dbraw/zinc/70/15/04/956701504.db2.gz VJGXNXJNWUIZKY-UKRRQHHQSA-N 1 3 265.401 1.272 10 30 CDEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CCC=C)CC1 ZINC001316869162 956841184 /nfs/dbraw/zinc/84/11/84/956841184.db2.gz DQGZLYDGWDHSNE-UHFFFAOYSA-N 1 3 291.439 1.346 10 30 CDEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CCC=C)CC1 ZINC001316869162 956841197 /nfs/dbraw/zinc/84/11/97/956841197.db2.gz DQGZLYDGWDHSNE-UHFFFAOYSA-N 1 3 291.439 1.346 10 30 CDEEHO C#CC[N@H+](CC)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001316907747 957116070 /nfs/dbraw/zinc/11/60/70/957116070.db2.gz RGWCTESVARWZAN-AWEZNQCLSA-N 1 3 267.417 1.034 10 30 CDEEHO C#CC[N@@H+](CC)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001316907747 957116076 /nfs/dbraw/zinc/11/60/76/957116076.db2.gz RGWCTESVARWZAN-AWEZNQCLSA-N 1 3 267.417 1.034 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001317192261 957333673 /nfs/dbraw/zinc/33/36/73/957333673.db2.gz JSUVCBAXANLIPE-INIZCTEOSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001318140598 957941259 /nfs/dbraw/zinc/94/12/59/957941259.db2.gz URWPLAWTWMNKBA-UHFFFAOYSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001569306254 1169754773 /nfs/dbraw/zinc/75/47/73/1169754773.db2.gz KDKWHELRETULFA-ZDUSSCGKSA-N 1 3 265.401 1.141 10 30 CDEEHO C#CCNC/C=C/CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001321125528 959603474 /nfs/dbraw/zinc/60/34/74/959603474.db2.gz LQZMPBSAHLYMDU-CMDGGOBGSA-N 1 3 291.439 1.535 10 30 CDEEHO C#CCNC/C=C/CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001321125528 959603483 /nfs/dbraw/zinc/60/34/83/959603483.db2.gz LQZMPBSAHLYMDU-CMDGGOBGSA-N 1 3 291.439 1.535 10 30 CDEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]CC(=C)C)CC1 ZINC001321416561 959774290 /nfs/dbraw/zinc/77/42/90/959774290.db2.gz IWCMJCUDPQUXBT-WAYWQWQTSA-N 1 3 289.423 1.170 10 30 CDEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]C(C)C)CC1 ZINC001321416334 959774318 /nfs/dbraw/zinc/77/43/18/959774318.db2.gz IHZIVOIGQFNHST-AATRIKPKSA-N 1 3 277.412 1.002 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001354488053 968739006 /nfs/dbraw/zinc/73/90/06/968739006.db2.gz SAYDEGWFFUEYFO-MBHSVXNSSA-N 1 3 251.374 1.152 10 30 CDEEHO C=CC[C@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462157220 969670759 /nfs/dbraw/zinc/67/07/59/969670759.db2.gz KHMDUAKGCVWQHC-HWOWSKLDSA-N 1 3 282.428 1.547 10 30 CDEEHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001496361021 972897377 /nfs/dbraw/zinc/89/73/77/972897377.db2.gz UVWFRXAMSXTODD-HUUCEWRRSA-N 1 3 293.455 1.424 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001497878377 973561638 /nfs/dbraw/zinc/56/16/38/973561638.db2.gz RAFUQUSGABRUDW-CYBMUJFWSA-N 1 3 267.417 1.531 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001499101315 974186602 /nfs/dbraw/zinc/18/66/02/974186602.db2.gz XDEYZQXQLDKDPX-ZIAGYGMSSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CCCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001499101315 974186605 /nfs/dbraw/zinc/18/66/05/974186605.db2.gz XDEYZQXQLDKDPX-ZIAGYGMSSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001499858411 974317067 /nfs/dbraw/zinc/31/70/67/974317067.db2.gz VVSTYDABEUAHNQ-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001507160756 975359549 /nfs/dbraw/zinc/35/95/49/975359549.db2.gz FSAXTOCXEBKNHX-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001507435107 975470486 /nfs/dbraw/zinc/47/04/86/975470486.db2.gz KSKHEYIRBVGXRI-HNNXBMFYSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001507950436 975571499 /nfs/dbraw/zinc/57/14/99/975571499.db2.gz FHLNMIGQYFCDEN-CYBMUJFWSA-N 1 3 281.444 1.777 10 30 CDEEHO C#CCCN1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001675343040 1174105127 /nfs/dbraw/zinc/10/51/27/1174105127.db2.gz IOLOWDSIFULAAW-GDBMZVCRSA-N 1 3 293.455 1.567 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001570004781 1170057221 /nfs/dbraw/zinc/05/72/21/1170057221.db2.gz HGYDKCHYOOAUKG-CYBMUJFWSA-N 1 3 276.384 1.357 10 30 CDEEHO C#CCC[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001571334121 1170369767 /nfs/dbraw/zinc/36/97/67/1170369767.db2.gz MPCCPRBYYQNGBB-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001571334121 1170369773 /nfs/dbraw/zinc/36/97/73/1170369773.db2.gz MPCCPRBYYQNGBB-HNNXBMFYSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001571558832 1170477107 /nfs/dbraw/zinc/47/71/07/1170477107.db2.gz RNMLNMAVBDTDFG-CABCVRRESA-N 1 3 293.455 1.423 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000594435652 342899216 /nfs/dbraw/zinc/89/92/16/342899216.db2.gz IICHVQDRTMTVMD-KFWWJZLASA-N 1 3 292.427 1.246 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000594435849 342899250 /nfs/dbraw/zinc/89/92/50/342899250.db2.gz ANELCBZIBNZQJI-CABCVRRESA-N 1 3 292.427 1.484 10 30 CDEEHO CC1CCN(CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600716519 342244352 /nfs/dbraw/zinc/24/43/52/342244352.db2.gz YINVXXIOODSXPF-HNNXBMFYSA-N 1 3 279.428 1.753 10 30 CDEEHO CC1CC[NH+](CCCNC[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600716519 342244353 /nfs/dbraw/zinc/24/43/53/342244353.db2.gz YINVXXIOODSXPF-HNNXBMFYSA-N 1 3 279.428 1.753 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000594457221 342911845 /nfs/dbraw/zinc/91/18/45/342911845.db2.gz WPLCWZJTVLJDLV-SOUVJXGZSA-N 1 3 292.427 1.388 10 30 CDEEHO CN(Cc1cnc2ccc(C#N)cn12)CC1CC[NH+](C)CC1 ZINC000093088871 147035922 /nfs/dbraw/zinc/03/59/22/147035922.db2.gz DICDHGGUIHGURD-UHFFFAOYSA-N 1 3 297.406 1.980 10 30 CDEEHO C=CC[C@@]1(C(=O)N[C@H](C)CN2CCCCC2)CCC[NH2+]1 ZINC000662684336 413305766 /nfs/dbraw/zinc/30/57/66/413305766.db2.gz ZZTUITXABBOLGX-ZBFHGGJFSA-N 1 3 279.428 1.675 10 30 CDEEHO C=CC[C@]1(C(=O)NC[C@H](C)N2CCC(C)CC2)CCC[NH2+]1 ZINC000662701748 413344632 /nfs/dbraw/zinc/34/46/32/413344632.db2.gz UXBJEWMAQOVGOJ-DOTOQJQBSA-N 1 3 293.455 1.921 10 30 CDEEHO C=CCN1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001665686141 1173038782 /nfs/dbraw/zinc/03/87/82/1173038782.db2.gz DKHGDWRDIIGGMN-HNNXBMFYSA-N 1 3 279.428 1.581 10 30 CDEEHO C=CCN1CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659450749 413837189 /nfs/dbraw/zinc/83/71/89/413837189.db2.gz VFMGZDLRNRBEOX-CQSZACIVSA-N 1 3 282.432 1.309 10 30 CDEEHO C=CCN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)COC ZINC000662298814 414623990 /nfs/dbraw/zinc/62/39/90/414623990.db2.gz HGHLBZRZHKHBJE-STQMWFEESA-N 1 3 254.374 1.030 10 30 CDEEHO CN(C)C1CC[NH+](CCC[C@@](C)(C#N)NC2CC2)CC1 ZINC000045311128 175356775 /nfs/dbraw/zinc/35/67/75/175356775.db2.gz WSRPKESCBFHYKV-INIZCTEOSA-N 1 3 278.444 1.827 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001667751634 1173319761 /nfs/dbraw/zinc/31/97/61/1173319761.db2.gz LXCWUWRUKIGRQL-GJZGRUSLSA-N 1 3 293.455 1.472 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)CCC[NH+]1CCCCC1 ZINC001669195673 1173517721 /nfs/dbraw/zinc/51/77/21/1173517721.db2.gz SXXGIBQMOUIEBB-WAYWQWQTSA-N 1 3 291.439 1.538 10 30 CDEEHO CN1CC=C(CNC(=[NH2+])NCCc2cccs2)CC1 ZINC000263155718 330046336 /nfs/dbraw/zinc/04/63/36/330046336.db2.gz NDIWSKDQIJXRCW-UHFFFAOYSA-N 1 3 278.425 1.457 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001691446889 1159306273 /nfs/dbraw/zinc/30/62/73/1159306273.db2.gz JJSSJAJUNHAFRH-ZNMIVQPWSA-N 1 3 281.444 1.633 10 30 CDEEHO C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001482555860 1160390171 /nfs/dbraw/zinc/39/01/71/1160390171.db2.gz CXOAMKOULXLXLN-CVEARBPZSA-N 1 3 293.455 1.613 10 30 CDEEHO C#CCNC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483257601 1160883860 /nfs/dbraw/zinc/88/38/60/1160883860.db2.gz GQFQTMAIAKDYDJ-HOCLYGCPSA-N 1 3 291.439 1.511 10 30 CDEEHO C#CCNC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001483257601 1160883867 /nfs/dbraw/zinc/88/38/67/1160883867.db2.gz GQFQTMAIAKDYDJ-HOCLYGCPSA-N 1 3 291.439 1.511 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)CC[N@@H+](C)CCC ZINC001717749837 1180826967 /nfs/dbraw/zinc/82/69/67/1180826967.db2.gz AWEYOVWCPCTDLF-AWEZNQCLSA-N 1 3 267.417 1.178 10 30 CDEEHO CC#CCN[C@@H](C)CN(C)C(=O)CC[N@H+](C)CCC ZINC001717749837 1180826980 /nfs/dbraw/zinc/82/69/80/1180826980.db2.gz AWEYOVWCPCTDLF-AWEZNQCLSA-N 1 3 267.417 1.178 10 30 CDEEHO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(C#CCN)cc1F ZINC000061652295 521840840 /nfs/dbraw/zinc/84/08/40/521840840.db2.gz CLBURRRFZNPHSW-INIZCTEOSA-N 1 3 289.398 1.662 10 30 CDEEHO CC[C@@H](C)N1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000055069296 522125818 /nfs/dbraw/zinc/12/58/18/522125818.db2.gz HFVISBOJGYHWHR-CQSZACIVSA-N 1 3 291.464 1.974 10 30 CDEEHO NCC#Cc1csc(C[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052763104 527156272 /nfs/dbraw/zinc/15/62/72/527156272.db2.gz XRCMCLYPVNWXPQ-AWEZNQCLSA-N 1 3 278.421 1.795 10 30 CDEEHO NCC#Cc1csc(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052763104 527156269 /nfs/dbraw/zinc/15/62/69/527156269.db2.gz XRCMCLYPVNWXPQ-AWEZNQCLSA-N 1 3 278.421 1.795 10 30 CDEEHO C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001266896390 1158967557 /nfs/dbraw/zinc/96/75/57/1158967557.db2.gz AMHCLFTVWLTXQG-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001266896390 1158967562 /nfs/dbraw/zinc/96/75/62/1158967562.db2.gz AMHCLFTVWLTXQG-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000876751700 1165909615 /nfs/dbraw/zinc/90/96/15/1165909615.db2.gz VTIBXVCMLBZNBS-GXSJLCMTSA-N 1 3 259.781 1.055 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000876751700 1165909623 /nfs/dbraw/zinc/90/96/23/1165909623.db2.gz VTIBXVCMLBZNBS-GXSJLCMTSA-N 1 3 259.781 1.055 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001650379054 1171002071 /nfs/dbraw/zinc/00/20/71/1171002071.db2.gz KMWIGLRUSAXETD-DGCLKSJQSA-N 1 3 293.798 1.936 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001672247303 1173756237 /nfs/dbraw/zinc/75/62/37/1173756237.db2.gz UKUKMHUVVBZYCR-LSDHHAIUSA-N 1 3 279.428 1.485 10 30 CDEEHO CC#CC[NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001690544534 1175490845 /nfs/dbraw/zinc/49/08/45/1175490845.db2.gz RNVKHKVKMOUBSR-UHFFFAOYSA-N 1 3 288.395 1.301 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001699409724 1176373925 /nfs/dbraw/zinc/37/39/25/1176373925.db2.gz WTTALFGBGQEJRX-STQMWFEESA-N 1 3 255.406 1.243 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001699827989 1176645014 /nfs/dbraw/zinc/64/50/14/1176645014.db2.gz VZJMJTKEWVFNFY-OAHLLOKOSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN1CC[C@@](C)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001699827989 1176645017 /nfs/dbraw/zinc/64/50/17/1176645017.db2.gz VZJMJTKEWVFNFY-OAHLLOKOSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001700445670 1176932265 /nfs/dbraw/zinc/93/22/65/1176932265.db2.gz QTZYLXVJSUXVKO-ZDUSSCGKSA-N 1 3 269.433 1.587 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](CC)N(C)C ZINC001700731304 1177098072 /nfs/dbraw/zinc/09/80/72/1177098072.db2.gz GRJGMIMWXSYCTR-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001707478785 1178071434 /nfs/dbraw/zinc/07/14/34/1178071434.db2.gz DHDDTRCMCJMVBN-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001707478785 1178071441 /nfs/dbraw/zinc/07/14/41/1178071441.db2.gz DHDDTRCMCJMVBN-UHFFFAOYSA-N 1 3 279.428 1.627 10 30 CDEEHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001713362270 1178521499 /nfs/dbraw/zinc/52/14/99/1178521499.db2.gz VJQBGIFWBYVIBN-CQSZACIVSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001713734138 1178728823 /nfs/dbraw/zinc/72/88/23/1178728823.db2.gz CSFMPUGULNDYSA-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001713734138 1178728825 /nfs/dbraw/zinc/72/88/25/1178728825.db2.gz CSFMPUGULNDYSA-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1nc[nH]c1C ZINC001714535769 1179192077 /nfs/dbraw/zinc/19/20/77/1179192077.db2.gz MTKUJYFFRPIMPK-CQSZACIVSA-N 1 3 290.411 1.807 10 30 CDEEHO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1nc[nH]c1C ZINC001714535769 1179192080 /nfs/dbraw/zinc/19/20/80/1179192080.db2.gz MTKUJYFFRPIMPK-CQSZACIVSA-N 1 3 290.411 1.807 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001714906814 1179446840 /nfs/dbraw/zinc/44/68/40/1179446840.db2.gz GEHBXIOPMZZPIN-INIZCTEOSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001714906814 1179446841 /nfs/dbraw/zinc/44/68/41/1179446841.db2.gz GEHBXIOPMZZPIN-INIZCTEOSA-N 1 3 293.455 1.829 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001716334463 1180159153 /nfs/dbraw/zinc/15/91/53/1180159153.db2.gz RWVHFKUSHBIMPI-WLMCBFPDSA-N 1 3 291.439 1.394 10 30 CDEEHO CC#CCNC/C=C\CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001716334463 1180159155 /nfs/dbraw/zinc/15/91/55/1180159155.db2.gz RWVHFKUSHBIMPI-WLMCBFPDSA-N 1 3 291.439 1.394 10 30 CDEEHO C#CC[NH2+]C/C=C/CNC(=O)c1cccc(CN(C)C)c1 ZINC001716378626 1180173835 /nfs/dbraw/zinc/17/38/35/1180173835.db2.gz KHKLIVUSIVQWRE-AATRIKPKSA-N 1 3 285.391 1.257 10 30 CDEEHO CC#CC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001716412701 1180193832 /nfs/dbraw/zinc/19/38/32/1180193832.db2.gz MQZQXBCELPXEEY-CJNGLKHVSA-N 1 3 297.418 1.317 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001716963057 1180483174 /nfs/dbraw/zinc/48/31/74/1180483174.db2.gz JEYAPQZYTBWARJ-LSDHHAIUSA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001716984527 1180491982 /nfs/dbraw/zinc/49/19/82/1180491982.db2.gz KHIJYRJWKLLDQG-LSDHHAIUSA-N 1 3 293.455 1.731 10 30 CDEEHO CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001717215664 1180579386 /nfs/dbraw/zinc/57/93/86/1180579386.db2.gz QWYSDQHSPXXHDU-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001717215664 1180579391 /nfs/dbraw/zinc/57/93/91/1180579391.db2.gz QWYSDQHSPXXHDU-INIZCTEOSA-N 1 3 293.455 1.664 10 30 CDEEHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1CC ZINC001723384347 1181545724 /nfs/dbraw/zinc/54/57/24/1181545724.db2.gz ICWRCNOISDWKLJ-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001725390844 1181984721 /nfs/dbraw/zinc/98/47/21/1181984721.db2.gz XMUXRPQWRRZNJI-HOTGVXAUSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CCC[NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001731572817 1182452732 /nfs/dbraw/zinc/45/27/32/1182452732.db2.gz MANWQCOAHCBCNI-UHFFFAOYSA-N 1 3 290.411 1.854 10 30 CDEEHO C=C(C)CC[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001732126624 1182788077 /nfs/dbraw/zinc/78/80/77/1182788077.db2.gz QTGVVYJAPUFFJV-UHFFFAOYSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCNC/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732907588 1183179202 /nfs/dbraw/zinc/17/92/02/1183179202.db2.gz BLWWHNIKKVGWCE-XHPSBEMXSA-N 1 3 277.412 1.146 10 30 CDEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001733426942 1183430120 /nfs/dbraw/zinc/43/01/20/1183430120.db2.gz LIUYERXQEXZNMO-INIZCTEOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001733879590 1183557395 /nfs/dbraw/zinc/55/73/95/1183557395.db2.gz SIZDEGIOOOGYBV-CQSZACIVSA-N 1 3 281.444 1.729 10 30 CDEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001733879590 1183557398 /nfs/dbraw/zinc/55/73/98/1183557398.db2.gz SIZDEGIOOOGYBV-CQSZACIVSA-N 1 3 281.444 1.729 10 30 CDEEHO O=C(C#CC1CC[NH2+]CC1)Nc1ccc2c(c1)CNCCO2 ZINC000852881972 705567854 /nfs/dbraw/zinc/56/78/54/705567854.db2.gz UNEHNWCHQRFDNS-UHFFFAOYSA-N 1 3 299.374 1.110 10 30 CDEEHO C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315438 705836703 /nfs/dbraw/zinc/83/67/03/705836703.db2.gz MHWIDZSIQQFVQY-GOEBONIOSA-N 1 3 277.412 1.459 10 30 CDEEHO C[N@@H+]1CCC[C@@]2(CCN(C[C@@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315438 705836700 /nfs/dbraw/zinc/83/67/00/705836700.db2.gz MHWIDZSIQQFVQY-GOEBONIOSA-N 1 3 277.412 1.459 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000876771595 706123277 /nfs/dbraw/zinc/12/32/77/706123277.db2.gz UELZZJJUSCNCCX-STQMWFEESA-N 1 3 285.819 1.401 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000876539962 709846127 /nfs/dbraw/zinc/84/61/27/709846127.db2.gz CKOLMCXTUOSFAY-VQXHTEKXSA-N 1 3 259.781 1.185 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C[NH2+]C ZINC000876509877 709995984 /nfs/dbraw/zinc/99/59/84/709995984.db2.gz NTUAKOORURIAEP-LLVKDONJSA-N 1 3 267.760 1.814 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000876713601 710428513 /nfs/dbraw/zinc/42/85/13/710428513.db2.gz RMHYSZUOJNVARD-STQMWFEESA-N 1 3 287.835 1.837 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000876713601 710428517 /nfs/dbraw/zinc/42/85/17/710428517.db2.gz RMHYSZUOJNVARD-STQMWFEESA-N 1 3 287.835 1.837 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000876827130 711685650 /nfs/dbraw/zinc/68/56/50/711685650.db2.gz LOTVOQCEOAHEQY-ZDUSSCGKSA-N 1 3 279.771 1.376 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000877452291 711785388 /nfs/dbraw/zinc/78/53/88/711785388.db2.gz WJPLAAJDAJPTKA-TUAOUCFPSA-N 1 3 271.792 1.151 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000877452291 711785390 /nfs/dbraw/zinc/78/53/90/711785390.db2.gz WJPLAAJDAJPTKA-TUAOUCFPSA-N 1 3 271.792 1.151 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000877206962 1165995454 /nfs/dbraw/zinc/99/54/54/1165995454.db2.gz TWRWUDAKLQQRLE-LLVKDONJSA-N 1 3 273.808 1.399 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000877206962 1165995459 /nfs/dbraw/zinc/99/54/59/1165995459.db2.gz TWRWUDAKLQQRLE-LLVKDONJSA-N 1 3 273.808 1.399 10 30 CDEEHO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001566692521 1168388887 /nfs/dbraw/zinc/38/88/87/1168388887.db2.gz IFYIWXOJMGFNSE-GJZGRUSLSA-N 1 3 291.439 1.321 10 30 CDEEHO C=CCN1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001566929432 1168470151 /nfs/dbraw/zinc/47/01/51/1168470151.db2.gz ZZMPIAXPZXWBHR-LSDHHAIUSA-N 1 3 279.428 1.485 10 30 CDEEHO C=CCN1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001566929432 1168470155 /nfs/dbraw/zinc/47/01/55/1168470155.db2.gz ZZMPIAXPZXWBHR-LSDHHAIUSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001566940808 1168475491 /nfs/dbraw/zinc/47/54/91/1168475491.db2.gz RJDQWPSCWKHVGB-CABCVRRESA-N 1 3 279.428 1.177 10 30 CDEEHO C=C(C)C[N@@H+](CC)CCNC(=O)[C@H](CC)N(C)C ZINC001567347998 1168693477 /nfs/dbraw/zinc/69/34/77/1168693477.db2.gz QMAXSJWGLVYGCF-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)C[N@H+](CC)CCNC(=O)[C@H](CC)N(C)C ZINC001567347998 1168693481 /nfs/dbraw/zinc/69/34/81/1168693481.db2.gz QMAXSJWGLVYGCF-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001266881242 896274326 /nfs/dbraw/zinc/27/43/26/896274326.db2.gz UGIPQDHNXGLHSE-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[C@H](C)[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001267217419 897180149 /nfs/dbraw/zinc/18/01/49/897180149.db2.gz GOCHEMMPRVJWRN-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001267217419 897180156 /nfs/dbraw/zinc/18/01/56/897180156.db2.gz GOCHEMMPRVJWRN-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001267596358 898651539 /nfs/dbraw/zinc/65/15/39/898651539.db2.gz YOXUGVWQLQXHFV-ZDUSSCGKSA-N 1 3 276.384 1.275 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001267596358 898651548 /nfs/dbraw/zinc/65/15/48/898651548.db2.gz YOXUGVWQLQXHFV-ZDUSSCGKSA-N 1 3 276.384 1.275 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001481120741 898929452 /nfs/dbraw/zinc/92/94/52/898929452.db2.gz KCMJZKKRFLPGHP-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001481120741 898929456 /nfs/dbraw/zinc/92/94/56/898929456.db2.gz KCMJZKKRFLPGHP-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001267988516 900207076 /nfs/dbraw/zinc/20/70/76/900207076.db2.gz UJZYSXDBRKFFGA-HUUCEWRRSA-N 1 3 279.428 1.226 10 30 CDEEHO C#CC[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001268848296 903177474 /nfs/dbraw/zinc/17/74/74/903177474.db2.gz WTNHLTMEDMABJC-UHFFFAOYSA-N 1 3 267.417 1.036 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C1CCCC1 ZINC001270413025 904619816 /nfs/dbraw/zinc/61/98/16/904619816.db2.gz JDLVAWCSQRZEIU-LSDHHAIUSA-N 1 3 279.428 1.224 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CCC)CC1 ZINC001270604836 904784487 /nfs/dbraw/zinc/78/44/87/904784487.db2.gz SFPZZPQKRANLSX-AWEZNQCLSA-N 1 3 279.428 1.084 10 30 CDEEHO C=CC[NH+]1CCC(C)(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001270885458 905328815 /nfs/dbraw/zinc/32/88/15/905328815.db2.gz JSMPPMOBDUSQML-CQSZACIVSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001271675191 906587768 /nfs/dbraw/zinc/58/77/68/906587768.db2.gz DNSJHOIFIXLRAM-HOTGVXAUSA-N 1 3 293.455 1.567 10 30 CDEEHO C=CCN1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001567928178 1169073943 /nfs/dbraw/zinc/07/39/43/1169073943.db2.gz CXBKLLWJWMDYOC-HNNXBMFYSA-N 1 3 279.428 1.581 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001482649757 908116324 /nfs/dbraw/zinc/11/63/24/908116324.db2.gz JOUZPXMQRFYVCL-HUUCEWRRSA-N 1 3 281.444 1.826 10 30 CDEEHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001484123990 915448775 /nfs/dbraw/zinc/44/87/75/915448775.db2.gz VVFNXKASILPYIM-NVXWUHKLSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001484537642 915866877 /nfs/dbraw/zinc/86/68/77/915866877.db2.gz JXOHJNIEZXYJSI-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CCN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001484988310 916350646 /nfs/dbraw/zinc/35/06/46/916350646.db2.gz SXVBZMDVYSCJOV-HOTGVXAUSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001485739289 917233444 /nfs/dbraw/zinc/23/34/44/917233444.db2.gz PJZBOQAVLGRYPE-LSDHHAIUSA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(C)C[C@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001183509943 918512481 /nfs/dbraw/zinc/51/24/81/918512481.db2.gz BAVXSNFOCPTGRB-AQFXKWCLSA-N 1 3 296.455 1.937 10 30 CDEEHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001486087691 920688875 /nfs/dbraw/zinc/68/88/75/920688875.db2.gz ARASSUNCPUJZQS-UONOGXRCSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CC[NH2+]CCN(CC)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001273610827 922281735 /nfs/dbraw/zinc/28/17/35/922281735.db2.gz QQUYZVLVZJZRDX-INIZCTEOSA-N 1 3 299.434 1.823 10 30 CDEEHO C#CCN1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001491119193 936861269 /nfs/dbraw/zinc/86/12/69/936861269.db2.gz CAJINWZOOKFVLQ-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCN(C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001490270910 927067641 /nfs/dbraw/zinc/06/76/41/927067641.db2.gz XSWVFVYSVLBZEX-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001276737920 940932751 /nfs/dbraw/zinc/93/27/51/940932751.db2.gz NAKGQKFRMPSJQO-JONQDZQNSA-N 1 3 293.455 1.443 10 30 CDEEHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001276737920 940932754 /nfs/dbraw/zinc/93/27/54/940932754.db2.gz NAKGQKFRMPSJQO-JONQDZQNSA-N 1 3 293.455 1.443 10 30 CDEEHO C=CCCCCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276970057 941750839 /nfs/dbraw/zinc/75/08/39/941750839.db2.gz LQZKOIHUPIUDFS-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C=CCCCCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001276970057 941750842 /nfs/dbraw/zinc/75/08/42/941750842.db2.gz LQZKOIHUPIUDFS-HOTGVXAUSA-N 1 3 293.455 1.875 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001280186684 942422437 /nfs/dbraw/zinc/42/24/37/942422437.db2.gz RXDIJANGBIJKKH-HZPDHXFCSA-N 1 3 293.455 1.424 10 30 CDEEHO C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001280198573 942423523 /nfs/dbraw/zinc/42/35/23/942423523.db2.gz SVEWUFLCZREMGF-CABCVRRESA-N 1 3 279.428 1.178 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001281458369 942579261 /nfs/dbraw/zinc/57/92/61/942579261.db2.gz OQSMOIRHGZPLIH-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001282335800 942690427 /nfs/dbraw/zinc/69/04/27/942690427.db2.gz SLLJRPWSIGQTLA-OAHLLOKOSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CCC)CC1 ZINC001265334609 944348345 /nfs/dbraw/zinc/34/83/45/944348345.db2.gz VPOULZZOTOMLQY-CQSZACIVSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCCCC)CC1 ZINC001265870801 944550382 /nfs/dbraw/zinc/55/03/82/944550382.db2.gz WRZJJNWWMWCPSM-HNNXBMFYSA-N 1 3 293.455 1.616 10 30 CDEEHO C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266218764 944766069 /nfs/dbraw/zinc/76/60/69/944766069.db2.gz BAPMENMMKNNDFS-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266218764 944766075 /nfs/dbraw/zinc/76/60/75/944766075.db2.gz BAPMENMMKNNDFS-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001480267620 971654871 /nfs/dbraw/zinc/65/48/71/971654871.db2.gz PHZXYBTXUVIFDU-INIZCTEOSA-N 1 3 293.455 1.570 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001480267620 971654873 /nfs/dbraw/zinc/65/48/73/971654873.db2.gz PHZXYBTXUVIFDU-INIZCTEOSA-N 1 3 293.455 1.570 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001480359888 971686548 /nfs/dbraw/zinc/68/65/48/971686548.db2.gz RJDQWPSCWKHVGB-LSDHHAIUSA-N 1 3 279.428 1.177 10 30 CDEEHO C=CCN(CC)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493042563 971930694 /nfs/dbraw/zinc/93/06/94/971930694.db2.gz GJHSQSQZRASGHU-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001329302868 955811764 /nfs/dbraw/zinc/81/17/64/955811764.db2.gz LCEJWLWTSMKSDO-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001317881837 957708521 /nfs/dbraw/zinc/70/85/21/957708521.db2.gz KRARHMOSYXZKFC-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001317881837 957708532 /nfs/dbraw/zinc/70/85/32/957708532.db2.gz KRARHMOSYXZKFC-MRXNPFEDSA-N 1 3 293.455 1.520 10 30 CDEEHO C=CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001333042618 958038920 /nfs/dbraw/zinc/03/89/20/958038920.db2.gz ILNFESCDBVJTMV-YMAMQOFZSA-N 1 3 279.428 1.626 10 30 CDEEHO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001322243180 960149924 /nfs/dbraw/zinc/14/99/24/960149924.db2.gz CMQVHDATJUCONY-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001322243180 960149927 /nfs/dbraw/zinc/14/99/27/960149927.db2.gz CMQVHDATJUCONY-HUUCEWRRSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001342017230 963612428 /nfs/dbraw/zinc/61/24/28/963612428.db2.gz ZANOEXHPBYCGCH-OLZOCXBDSA-N 1 3 265.401 1.461 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001343217186 963929897 /nfs/dbraw/zinc/92/98/97/963929897.db2.gz MYTXYKASIAFCDF-VGWMRTNUSA-N 1 3 293.455 1.859 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001515597360 969903718 /nfs/dbraw/zinc/90/37/18/969903718.db2.gz DFTORSIQBNBQHZ-YIYPIFLZSA-N 1 3 265.401 1.126 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001515597360 969903719 /nfs/dbraw/zinc/90/37/19/969903719.db2.gz DFTORSIQBNBQHZ-YIYPIFLZSA-N 1 3 265.401 1.126 10 30 CDEEHO C=CCN1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001569642163 1169949096 /nfs/dbraw/zinc/94/90/96/1169949096.db2.gz YGSAPXJWMUWYJX-HOCLYGCPSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001569642163 1169949101 /nfs/dbraw/zinc/94/91/01/1169949101.db2.gz YGSAPXJWMUWYJX-HOCLYGCPSA-N 1 3 279.428 1.627 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001496453141 972928945 /nfs/dbraw/zinc/92/89/45/972928945.db2.gz XPLOZKYFEHSUFA-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CCC[NH2+]CCN(CC)C(=O)CN(C)CC(C)(C)C ZINC001497456184 973356469 /nfs/dbraw/zinc/35/64/69/973356469.db2.gz VXOGYRVYWYSHHQ-UHFFFAOYSA-N 1 3 281.444 1.426 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001498289431 973810766 /nfs/dbraw/zinc/81/07/66/973810766.db2.gz RLGZNMXPVAPHOY-HZSPNIEDSA-N 1 3 267.417 1.339 10 30 CDEEHO C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001498289431 973810774 /nfs/dbraw/zinc/81/07/74/973810774.db2.gz RLGZNMXPVAPHOY-HZSPNIEDSA-N 1 3 267.417 1.339 10 30 CDEEHO C#CCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001499858412 974317006 /nfs/dbraw/zinc/31/70/06/974317006.db2.gz VVSTYDABEUAHNQ-GJZGRUSLSA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001505446392 974884252 /nfs/dbraw/zinc/88/42/52/974884252.db2.gz KXXXCVUCVMUKJJ-HNNXBMFYSA-N 1 3 290.411 1.841 10 30 CDEEHO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001505446392 974884256 /nfs/dbraw/zinc/88/42/56/974884256.db2.gz KXXXCVUCVMUKJJ-HNNXBMFYSA-N 1 3 290.411 1.841 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001507160759 975359633 /nfs/dbraw/zinc/35/96/33/975359633.db2.gz FSAXTOCXEBKNHX-HUUCEWRRSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001507419571 975462756 /nfs/dbraw/zinc/46/27/56/975462756.db2.gz VEMJVARPJLJCEQ-HUUCEWRRSA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001402940166 976603620 /nfs/dbraw/zinc/60/36/20/976603620.db2.gz IAUIRGMZZGWGHC-UHFFFAOYSA-N 1 3 287.835 1.565 10 30 CDEEHO C=C(Cl)CNCC1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001402940166 976603629 /nfs/dbraw/zinc/60/36/29/976603629.db2.gz IAUIRGMZZGWGHC-UHFFFAOYSA-N 1 3 287.835 1.565 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001674480107 1173951473 /nfs/dbraw/zinc/95/14/73/1173951473.db2.gz BZHATIMQRHNRJJ-JYJNAYRXSA-N 1 3 293.455 1.826 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001674480107 1173951477 /nfs/dbraw/zinc/95/14/77/1173951477.db2.gz BZHATIMQRHNRJJ-JYJNAYRXSA-N 1 3 293.455 1.826 10 30 CDEEHO C#CCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001571386476 1170402260 /nfs/dbraw/zinc/40/22/60/1170402260.db2.gz BJJYGOYWIAGUKF-OAHLLOKOSA-N 1 3 293.455 1.711 10 30 CDEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001656169822 1171781563 /nfs/dbraw/zinc/78/15/63/1171781563.db2.gz GHCIMWPTHLODSI-OKILXGFUSA-N 1 3 267.417 1.389 10 30 CDEEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](N)CCCCC#N ZINC000594440969 342907324 /nfs/dbraw/zinc/90/73/24/342907324.db2.gz KFKANCJTINUMHH-ZIAGYGMSSA-N 1 3 282.432 1.490 10 30 CDEEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@H](O)CC2(C#N)CC2)C1 ZINC000600716785 342244361 /nfs/dbraw/zinc/24/43/61/342244361.db2.gz MJJSMGHPZMODKC-BZUAXINKSA-N 1 3 293.455 1.999 10 30 CDEEHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600716785 342244362 /nfs/dbraw/zinc/24/43/62/342244362.db2.gz MJJSMGHPZMODKC-BZUAXINKSA-N 1 3 293.455 1.999 10 30 CDEEHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000594425490 342904390 /nfs/dbraw/zinc/90/43/90/342904390.db2.gz KKAQFIIUXGQYIX-RWMBFGLXSA-N 1 3 266.389 1.031 10 30 CDEEHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000595935507 343201293 /nfs/dbraw/zinc/20/12/93/343201293.db2.gz DVJIEOGTGQNODT-UONOGXRCSA-N 1 3 294.443 1.634 10 30 CDEEHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000595935507 343201294 /nfs/dbraw/zinc/20/12/94/343201294.db2.gz DVJIEOGTGQNODT-UONOGXRCSA-N 1 3 294.443 1.634 10 30 CDEEHO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617502565 345674767 /nfs/dbraw/zinc/67/47/67/345674767.db2.gz USMLVLQVSJTBAN-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617502565 345674768 /nfs/dbraw/zinc/67/47/68/345674768.db2.gz USMLVLQVSJTBAN-AWEZNQCLSA-N 1 3 283.460 1.977 10 30 CDEEHO CO[C@H]1C[C@@H](N(C)CC#CC[N@H+](C)[C@H]2C[C@@H](OC)C2)C1 ZINC000510092427 367026129 /nfs/dbraw/zinc/02/61/29/367026129.db2.gz RGKSQHDBXAGRGR-RUPPMWDTSA-N 1 3 280.412 1.208 10 30 CDEEHO CO[C@H]1C[C@@H](N(C)CC#CC[N@@H+](C)[C@H]2C[C@@H](OC)C2)C1 ZINC000510092427 367026132 /nfs/dbraw/zinc/02/61/32/367026132.db2.gz RGKSQHDBXAGRGR-RUPPMWDTSA-N 1 3 280.412 1.208 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001661652632 1172422307 /nfs/dbraw/zinc/42/23/07/1172422307.db2.gz CNMGSYOJJWRDTO-SOUVJXGZSA-N 1 3 279.428 1.531 10 30 CDEEHO CC#CCN1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661734123 1172439328 /nfs/dbraw/zinc/43/93/28/1172439328.db2.gz PGBISPBWOOGOIQ-HNNXBMFYSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCN(C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001663287930 1172668123 /nfs/dbraw/zinc/66/81/23/1172668123.db2.gz DEPDJFBDXSKNIQ-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000417062911 391341983 /nfs/dbraw/zinc/34/19/83/391341983.db2.gz MTYZXCAPZMZITH-RBSFLKMASA-N 1 3 296.459 1.720 10 30 CDEEHO C=CC[C@]1(C(=O)NC2CCN(CC)CC2)CCC[NH2+]1 ZINC000662666408 413278605 /nfs/dbraw/zinc/27/86/05/413278605.db2.gz RWDRQSWNTWYFIL-OAHLLOKOSA-N 1 3 265.401 1.285 10 30 CDEEHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001666919429 1173208108 /nfs/dbraw/zinc/20/81/08/1173208108.db2.gz ATBMIZGPYNEEMQ-CQSZACIVSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CC[C@]1(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CCC[NH2+]1 ZINC000662732595 424385335 /nfs/dbraw/zinc/38/53/35/424385335.db2.gz YHZDJTUTPVGZKL-VNHYZAJKSA-N 1 3 265.401 1.284 10 30 CDEEHO C=CC[C@@]1(C(=O)N[C@H]2CCN(CCC)C2)CCC[NH2+]1 ZINC000662910266 424557314 /nfs/dbraw/zinc/55/73/14/424557314.db2.gz MZERZCVLQOBGIZ-ZFWWWQNUSA-N 1 3 265.401 1.285 10 30 CDEEHO C=CCCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH]cn1 ZINC001667632099 1173301446 /nfs/dbraw/zinc/30/14/46/1173301446.db2.gz VXNQXKPREZFCLQ-UHFFFAOYSA-N 1 3 264.373 1.309 10 30 CDEEHO C=CCCC[N@H+](C)CCN(C)C(=O)Cc1c[nH]cn1 ZINC001667632099 1173301451 /nfs/dbraw/zinc/30/14/51/1173301451.db2.gz VXNQXKPREZFCLQ-UHFFFAOYSA-N 1 3 264.373 1.309 10 30 CDEEHO C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)N1CCCC[C@@H]1C ZINC000262427177 330009698 /nfs/dbraw/zinc/00/96/98/330009698.db2.gz CZCACYIHYOONCJ-BFHYXJOUSA-N 1 3 282.432 1.285 10 30 CDEEHO C[C@@H]1CN(C(=[NH2+])NCC(C)(C)N2CCCCC2)CCO1 ZINC000262485448 330016915 /nfs/dbraw/zinc/01/69/15/330016915.db2.gz SJSXXRAYTUYWDD-CYBMUJFWSA-N 1 3 282.432 1.286 10 30 CDEEHO C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000262491139 330017349 /nfs/dbraw/zinc/01/73/49/330017349.db2.gz VAJFBLLSFQVFGG-MCIONIFRSA-N 1 3 282.432 1.142 10 30 CDEEHO C[NH+]=C(NC1CCC1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262764320 330029902 /nfs/dbraw/zinc/02/99/02/330029902.db2.gz FIWICNCWUSFOEH-ZDUSSCGKSA-N 1 3 264.417 1.721 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001267204426 1159175256 /nfs/dbraw/zinc/17/52/56/1159175256.db2.gz BLEUKIGBQRHATD-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001267204426 1159175259 /nfs/dbraw/zinc/17/52/59/1159175259.db2.gz BLEUKIGBQRHATD-OAHLLOKOSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+]C[C@](C)(NC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001698655103 1175887991 /nfs/dbraw/zinc/88/79/91/1175887991.db2.gz ZYVSXFBUWZXHIK-HOCLYGCPSA-N 1 3 279.428 1.224 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001699650998 1176548932 /nfs/dbraw/zinc/54/89/32/1176548932.db2.gz INNHISFSYNCDQM-ZDUSSCGKSA-N 1 3 265.401 1.284 10 30 CDEEHO C=C(C)CN1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001724175246 1181648360 /nfs/dbraw/zinc/64/83/60/1181648360.db2.gz WLCJNKYEWGEDBR-HNNXBMFYSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001734404593 1183764439 /nfs/dbraw/zinc/76/44/39/1183764439.db2.gz BCFUFBVAUSIPEI-LSDHHAIUSA-N 1 3 281.444 1.872 10 30 CDEEHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001688935403 1175072882 /nfs/dbraw/zinc/07/28/82/1175072882.db2.gz HAIZEXZISGNWSM-IHRRRGAJSA-N 1 3 267.417 1.243 10 30 CDEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001689346085 1175148645 /nfs/dbraw/zinc/14/86/45/1175148645.db2.gz WCOXEOVWYDOWGS-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001689346085 1175148655 /nfs/dbraw/zinc/14/86/55/1175148655.db2.gz WCOXEOVWYDOWGS-JKSUJKDBSA-N 1 3 293.455 1.970 10 30 CDEEHO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001690183506 1175396422 /nfs/dbraw/zinc/39/64/22/1175396422.db2.gz ANVYOBHQNXWYLL-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001690183506 1175396429 /nfs/dbraw/zinc/39/64/29/1175396429.db2.gz ANVYOBHQNXWYLL-HZPDHXFCSA-N 1 3 291.439 1.274 10 30 CDEEHO C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001690197140 1175401353 /nfs/dbraw/zinc/40/13/53/1175401353.db2.gz HJISORNWMGNNKS-HNNXBMFYSA-N 1 3 279.428 1.132 10 30 CDEEHO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001690197140 1175401359 /nfs/dbraw/zinc/40/13/59/1175401359.db2.gz HJISORNWMGNNKS-HNNXBMFYSA-N 1 3 279.428 1.132 10 30 CDEEHO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001725084779 1159022867 /nfs/dbraw/zinc/02/28/67/1159022867.db2.gz CONSDXWGIJHRPN-STQMWFEESA-N 1 3 267.417 1.530 10 30 CDEEHO C=CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001699021129 1159206619 /nfs/dbraw/zinc/20/66/19/1159206619.db2.gz RASBNIJXZNEJSP-GJZGRUSLSA-N 1 3 279.428 1.435 10 30 CDEEHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001699021129 1159206625 /nfs/dbraw/zinc/20/66/25/1159206625.db2.gz RASBNIJXZNEJSP-GJZGRUSLSA-N 1 3 279.428 1.435 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001567144965 1168595178 /nfs/dbraw/zinc/59/51/78/1168595178.db2.gz GRMAWBFFOVLYIO-INIZCTEOSA-N 1 3 293.455 1.733 10 30 CDEEHO CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001568073817 1169132692 /nfs/dbraw/zinc/13/26/92/1169132692.db2.gz UPVLXSJSFCTQRV-INIZCTEOSA-N 1 3 293.455 1.570 10 30 CDEEHO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001570653245 1170224302 /nfs/dbraw/zinc/22/43/02/1170224302.db2.gz OSZQCALZRWXDIV-QWHCGFSZSA-N 1 3 255.406 1.386 10 30 CDEEHO CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001662010917 1172477904 /nfs/dbraw/zinc/47/79/04/1172477904.db2.gz NSSAULDFXDLJPF-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001662010917 1172477907 /nfs/dbraw/zinc/47/79/07/1172477907.db2.gz NSSAULDFXDLJPF-HOTGVXAUSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001664811637 1172914219 /nfs/dbraw/zinc/91/42/19/1172914219.db2.gz DIMPGZCXSHYXHA-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001664811637 1172914223 /nfs/dbraw/zinc/91/42/23/1172914223.db2.gz DIMPGZCXSHYXHA-OAHLLOKOSA-N 1 3 291.439 1.274 10 30 CDEEHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001673650964 1173874848 /nfs/dbraw/zinc/87/48/48/1173874848.db2.gz POZAFJBCQAQDTH-QGZVFWFLSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001673650964 1173874851 /nfs/dbraw/zinc/87/48/51/1173874851.db2.gz POZAFJBCQAQDTH-QGZVFWFLSA-N 1 3 293.455 1.827 10 30 CDEEHO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001690622868 1175526926 /nfs/dbraw/zinc/52/69/26/1175526926.db2.gz AIEDESKJFALBMK-OLZOCXBDSA-N 1 3 255.406 1.387 10 30 CDEEHO C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001691978987 1175661637 /nfs/dbraw/zinc/66/16/37/1175661637.db2.gz BWNHUAWVCLIFDQ-JKSUJKDBSA-N 1 3 291.439 1.132 10 30 CDEEHO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001691978987 1175661639 /nfs/dbraw/zinc/66/16/39/1175661639.db2.gz BWNHUAWVCLIFDQ-JKSUJKDBSA-N 1 3 291.439 1.132 10 30 CDEEHO CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001698668757 1175891306 /nfs/dbraw/zinc/89/13/06/1175891306.db2.gz UBZCOQCILNHITN-CVEARBPZSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001698861595 1175967123 /nfs/dbraw/zinc/96/71/23/1175967123.db2.gz QQRCOYXHUGQKHF-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001698983774 1176008894 /nfs/dbraw/zinc/00/88/94/1176008894.db2.gz NTCTZGNUIUSLCU-CYBMUJFWSA-N 1 3 253.390 1.047 10 30 CDEEHO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001698983774 1176008903 /nfs/dbraw/zinc/00/89/03/1176008903.db2.gz NTCTZGNUIUSLCU-CYBMUJFWSA-N 1 3 253.390 1.047 10 30 CDEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699145799 1176111456 /nfs/dbraw/zinc/11/14/56/1176111456.db2.gz CFTUWEPBHXISRZ-GFCCVEGCSA-N 1 3 285.819 1.319 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CCCCC)CC1 ZINC001699433571 1176394151 /nfs/dbraw/zinc/39/41/51/1176394151.db2.gz UVHYWVQKNOGYKM-HNNXBMFYSA-N 1 3 293.455 1.616 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001699650722 1176548722 /nfs/dbraw/zinc/54/87/22/1176548722.db2.gz DTLSJISNZSVBNU-UHFFFAOYSA-N 1 3 279.428 1.675 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001699761844 1176611771 /nfs/dbraw/zinc/61/17/71/1176611771.db2.gz LMUKWYJPNNKDHR-LSDHHAIUSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001699855007 1176657621 /nfs/dbraw/zinc/65/76/21/1176657621.db2.gz YGAYZZRRIQICGA-GDBMZVCRSA-N 1 3 279.428 1.034 10 30 CDEEHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001700180980 1176784731 /nfs/dbraw/zinc/78/47/31/1176784731.db2.gz MGEWOWADXHNESQ-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001700180980 1176784734 /nfs/dbraw/zinc/78/47/34/1176784734.db2.gz MGEWOWADXHNESQ-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+]CCC)CC1 ZINC001700689795 1177077876 /nfs/dbraw/zinc/07/78/76/1177077876.db2.gz NXZNTWNNSCILDW-OAHLLOKOSA-N 1 3 293.455 1.616 10 30 CDEEHO C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001700845643 1177163740 /nfs/dbraw/zinc/16/37/40/1177163740.db2.gz ALMJGPLPEBMDOL-OCCSQVGLSA-N 1 3 276.384 1.497 10 30 CDEEHO C#CCN1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713541869 1178634891 /nfs/dbraw/zinc/63/48/91/1178634891.db2.gz OJVGFLCJBONDPC-HOTGVXAUSA-N 1 3 291.439 1.178 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC1 ZINC001713558394 1178646233 /nfs/dbraw/zinc/64/62/33/1178646233.db2.gz ILGPMZQICZISET-JKSUJKDBSA-N 1 3 291.439 1.770 10 30 CDEEHO C=CCN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC1 ZINC001713558394 1178646236 /nfs/dbraw/zinc/64/62/36/1178646236.db2.gz ILGPMZQICZISET-JKSUJKDBSA-N 1 3 291.439 1.770 10 30 CDEEHO C=CC[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC001714136301 1178988442 /nfs/dbraw/zinc/98/84/42/1178988442.db2.gz VSTXEDQPGKLJFM-UHFFFAOYSA-N 1 3 279.428 1.675 10 30 CDEEHO C#CC[NH2+]C[C@]1(NC(=O)CN(C)C(C)C)CCCC[C@H]1C ZINC001714184631 1179006716 /nfs/dbraw/zinc/00/67/16/1179006716.db2.gz BGHKCILAQYEYNE-NVXWUHKLSA-N 1 3 293.455 1.615 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001714412863 1179128895 /nfs/dbraw/zinc/12/88/95/1179128895.db2.gz SUXJGNHGONKNBC-CABCVRRESA-N 1 3 281.444 1.921 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001714571717 1179225484 /nfs/dbraw/zinc/22/54/84/1179225484.db2.gz GWCHTAKINAHVLJ-OKILXGFUSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001714571717 1179225492 /nfs/dbraw/zinc/22/54/92/1179225492.db2.gz GWCHTAKINAHVLJ-OKILXGFUSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001715479396 1179678035 /nfs/dbraw/zinc/67/80/35/1179678035.db2.gz VBGGNHBVPQSSFC-ZFWWWQNUSA-N 1 3 290.411 1.745 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]C[C@@H](C)CC)CC1 ZINC001715963285 1179944982 /nfs/dbraw/zinc/94/49/82/1179944982.db2.gz XHLLTWAPLSZJBE-LSDHHAIUSA-N 1 3 293.455 1.472 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001716062070 1180027975 /nfs/dbraw/zinc/02/79/75/1180027975.db2.gz SAMOAUZZZQKDMU-UONOGXRCSA-N 1 3 279.428 1.531 10 30 CDEEHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CC1 ZINC001723595295 1181590810 /nfs/dbraw/zinc/59/08/10/1181590810.db2.gz NUMWKJSEULUIDD-UHFFFAOYSA-N 1 3 253.390 1.141 10 30 CDEEHO C#CC[NH2+][C@H](CCNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001725447154 1182003684 /nfs/dbraw/zinc/00/36/84/1182003684.db2.gz PKYWMQHJCLHUFZ-CYBMUJFWSA-N 1 3 276.384 1.014 10 30 CDEEHO C=CCCC[N@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001731861112 1182633458 /nfs/dbraw/zinc/63/34/58/1182633458.db2.gz GTJSNXWHAWTTQV-AWEZNQCLSA-N 1 3 290.411 1.665 10 30 CDEEHO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001731861112 1182633462 /nfs/dbraw/zinc/63/34/62/1182633462.db2.gz GTJSNXWHAWTTQV-AWEZNQCLSA-N 1 3 290.411 1.665 10 30 CDEEHO C=CCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001732025970 1182728586 /nfs/dbraw/zinc/72/85/86/1182728586.db2.gz FSWFUVGCDZFVGL-JKSUJKDBSA-N 1 3 287.407 1.571 10 30 CDEEHO C=CCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001732025970 1182728592 /nfs/dbraw/zinc/72/85/92/1182728592.db2.gz FSWFUVGCDZFVGL-JKSUJKDBSA-N 1 3 287.407 1.571 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CN(C)CCC)C1 ZINC001732059159 1182745383 /nfs/dbraw/zinc/74/53/83/1182745383.db2.gz MHSNCFCNQYDCCE-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CN(C)CCC)C1 ZINC001732059159 1182745386 /nfs/dbraw/zinc/74/53/86/1182745386.db2.gz MHSNCFCNQYDCCE-OAHLLOKOSA-N 1 3 281.444 1.733 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001732127288 1182790047 /nfs/dbraw/zinc/79/00/47/1182790047.db2.gz VGJQPTAFQAXQIG-UHFFFAOYSA-N 1 3 279.428 1.485 10 30 CDEEHO C#CCC[NH+]1CCC(CCNC(=O)CN(C)C(C)C)CC1 ZINC001732325643 1182905594 /nfs/dbraw/zinc/90/55/94/1182905594.db2.gz YFPPMVPDCUCTEG-UHFFFAOYSA-N 1 3 293.455 1.568 10 30 CDEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001733182853 1183321002 /nfs/dbraw/zinc/32/10/02/1183321002.db2.gz AWGKDVCOUFMXHR-GOEBONIOSA-N 1 3 291.439 1.369 10 30 CDEEHO C=CCNC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504231 711956577 /nfs/dbraw/zinc/95/65/77/711956577.db2.gz VMADBJCXANEHHD-HUUCEWRRSA-N 1 3 293.455 1.779 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000876869094 712267784 /nfs/dbraw/zinc/26/77/84/712267784.db2.gz PYMOTIJOOYYHID-UPJWGTAASA-N 1 3 285.819 1.304 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000876536433 1165865732 /nfs/dbraw/zinc/86/57/32/1165865732.db2.gz ZCUKEZFEKWSUGX-DCAQKATOSA-N 1 3 259.781 1.090 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000876775101 1165913252 /nfs/dbraw/zinc/91/32/52/1165913252.db2.gz OIBSKEMTDZDXAV-NEPJUHHUSA-N 1 3 273.808 1.257 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000876775101 1165913258 /nfs/dbraw/zinc/91/32/58/1165913258.db2.gz OIBSKEMTDZDXAV-NEPJUHHUSA-N 1 3 273.808 1.257 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001641720033 1167131637 /nfs/dbraw/zinc/13/16/37/1167131637.db2.gz NYUZTMRZAMQUIF-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001641720033 1167131640 /nfs/dbraw/zinc/13/16/40/1167131640.db2.gz NYUZTMRZAMQUIF-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCCN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682056 1168383986 /nfs/dbraw/zinc/38/39/86/1168383986.db2.gz NLTFTQRHRYLRQS-HNNXBMFYSA-N 1 3 277.412 1.076 10 30 CDEEHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C1 ZINC001566811326 1168430041 /nfs/dbraw/zinc/43/00/41/1168430041.db2.gz QMWXDMWWBRPYIA-HDJSIYSDSA-N 1 3 267.417 1.531 10 30 CDEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001272456960 913143696 /nfs/dbraw/zinc/14/36/96/913143696.db2.gz LSUPFCVNWHWIPW-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO CC#CCN1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267301678 897520470 /nfs/dbraw/zinc/52/04/70/897520470.db2.gz DHRVZKSNPAWZBO-CVEARBPZSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001268292058 901763157 /nfs/dbraw/zinc/76/31/57/901763157.db2.gz PCLHFNHNGQHZRH-QWHCGFSZSA-N 1 3 276.384 1.321 10 30 CDEEHO CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2CC)C1 ZINC001279328933 902038101 /nfs/dbraw/zinc/03/81/01/902038101.db2.gz MZCRZDFNHFLSLZ-UYSNPLJNSA-N 1 3 291.439 1.463 10 30 CDEEHO C#CC[NH+]1CCC(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001482043253 902538298 /nfs/dbraw/zinc/53/82/98/902538298.db2.gz QENZXDCHUUSSCZ-UHFFFAOYSA-N 1 3 291.439 1.322 10 30 CDEEHO C#CCCN1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567842699 1169012333 /nfs/dbraw/zinc/01/23/33/1169012333.db2.gz QLALBMKBLJFECD-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001271577157 906525374 /nfs/dbraw/zinc/52/53/74/906525374.db2.gz RIFNTHOWZNZFOF-HZPDHXFCSA-N 1 3 293.455 1.875 10 30 CDEEHO CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001271676582 906589076 /nfs/dbraw/zinc/58/90/76/906589076.db2.gz JADCJSPRCKKTSC-JKSUJKDBSA-N 1 3 293.455 1.568 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001482928293 908498544 /nfs/dbraw/zinc/49/85/44/908498544.db2.gz QVTIQBVZHOBIHZ-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001482928293 908498547 /nfs/dbraw/zinc/49/85/47/908498547.db2.gz QVTIQBVZHOBIHZ-HNNXBMFYSA-N 1 3 279.428 1.322 10 30 CDEEHO C=C(C)CC[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001483296659 910809149 /nfs/dbraw/zinc/80/91/49/910809149.db2.gz NGFSCJCXNFGQTN-ZDUSSCGKSA-N 1 3 255.406 1.387 10 30 CDEEHO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001483915180 915188321 /nfs/dbraw/zinc/18/83/21/915188321.db2.gz VFXLAVQOBVMZTE-CABCVRRESA-N 1 3 277.412 1.075 10 30 CDEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484123991 915450123 /nfs/dbraw/zinc/45/01/23/915450123.db2.gz VVFNXKASILPYIM-RDJZCZTQSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001484663104 916010933 /nfs/dbraw/zinc/01/09/33/916010933.db2.gz HRRPUGLWUFVXLC-KBPBESRZSA-N 1 3 277.412 1.121 10 30 CDEEHO C=C(C)C[NH+]1CCC2(CN(C(=O)CN(C)CCC)C2)CC1 ZINC001272826260 919850280 /nfs/dbraw/zinc/85/02/80/919850280.db2.gz QPZWTEODNZBLGO-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CCC[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001485961923 920632101 /nfs/dbraw/zinc/63/21/01/920632101.db2.gz VCUGUMMMUPMWHV-CYBMUJFWSA-N 1 3 255.406 1.339 10 30 CDEEHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001486087690 920687520 /nfs/dbraw/zinc/68/75/20/920687520.db2.gz ARASSUNCPUJZQS-KGLIPLIRSA-N 1 3 279.428 1.177 10 30 CDEEHO C#CC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001649463858 1169265654 /nfs/dbraw/zinc/26/56/54/1169265654.db2.gz NJLVKRPXEWAKIA-KBPBESRZSA-N 1 3 279.428 1.034 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001568417429 1169278988 /nfs/dbraw/zinc/27/89/88/1169278988.db2.gz XOIPFOLXISQRQY-HZPDHXFCSA-N 1 3 293.455 1.567 10 30 CDEEHO C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001490309716 927110246 /nfs/dbraw/zinc/11/02/46/927110246.db2.gz MUTZXESPYYUTDM-HZPDHXFCSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCCOC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000859217769 928987690 /nfs/dbraw/zinc/98/76/90/928987690.db2.gz NJZHGVUFNJSKPN-ZDUSSCGKSA-N 1 3 269.389 1.008 10 30 CDEEHO C#CCCOC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000859217769 928987694 /nfs/dbraw/zinc/98/76/94/928987694.db2.gz NJZHGVUFNJSKPN-ZDUSSCGKSA-N 1 3 269.389 1.008 10 30 CDEEHO C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H](CC)N(C)C ZINC001274511159 931505484 /nfs/dbraw/zinc/50/54/84/931505484.db2.gz OFYFLRRDLWMGRJ-MEJMFZKBSA-N 1 3 253.390 1.165 10 30 CDEEHO COC[C@@H](CCC[NH3+])NCc1cc(C#N)ccc1F ZINC000925815687 932942150 /nfs/dbraw/zinc/94/21/50/932942150.db2.gz YMRCNFYHWQUENK-CYBMUJFWSA-N 1 3 265.332 1.541 10 30 CDEEHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001282890164 942767260 /nfs/dbraw/zinc/76/72/60/942767260.db2.gz WKXXYDZOFYSCPF-LVQVYYBASA-N 1 3 293.455 1.443 10 30 CDEEHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001282890164 942767263 /nfs/dbraw/zinc/76/72/63/942767263.db2.gz WKXXYDZOFYSCPF-LVQVYYBASA-N 1 3 293.455 1.443 10 30 CDEEHO C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001277945802 944158661 /nfs/dbraw/zinc/15/86/61/944158661.db2.gz IPFZROIKWSPLIA-QWHCGFSZSA-N 1 3 278.400 1.743 10 30 CDEEHO C#CCN(C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001265073215 944221009 /nfs/dbraw/zinc/22/10/09/944221009.db2.gz UGQYTBXHTTUQRB-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[NH2+][C@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001277969197 944266429 /nfs/dbraw/zinc/26/64/29/944266429.db2.gz PRFDNYNNYRNGNC-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001265628349 944451604 /nfs/dbraw/zinc/45/16/04/944451604.db2.gz VDGVLFSLRUQZQM-MRXNPFEDSA-N 1 3 293.455 1.733 10 30 CDEEHO C#CCC[NH2+]C1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001265740883 944485945 /nfs/dbraw/zinc/48/59/45/944485945.db2.gz UCZBEEJHDVTXFA-NRXISQOPSA-N 1 3 279.428 1.367 10 30 CDEEHO C=CCN1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266189518 944743711 /nfs/dbraw/zinc/74/37/11/944743711.db2.gz HAHFCVAIBGSFJW-UHFFFAOYSA-N 1 3 279.428 1.437 10 30 CDEEHO C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001278900241 948153540 /nfs/dbraw/zinc/15/35/40/948153540.db2.gz SDZLPNWSYWUSTG-HNNXBMFYSA-N 1 3 279.428 1.273 10 30 CDEEHO C#CCC[N@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001278900241 948153545 /nfs/dbraw/zinc/15/35/45/948153545.db2.gz SDZLPNWSYWUSTG-HNNXBMFYSA-N 1 3 279.428 1.273 10 30 CDEEHO C=CCC[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001331030984 956773957 /nfs/dbraw/zinc/77/39/57/956773957.db2.gz ZWIXVJTVEYWYBZ-UHFFFAOYSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CCC[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001331030984 956773965 /nfs/dbraw/zinc/77/39/65/956773965.db2.gz ZWIXVJTVEYWYBZ-UHFFFAOYSA-N 1 3 293.455 1.970 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001317539889 956842072 /nfs/dbraw/zinc/84/20/72/956842072.db2.gz ADEWEITZAKPDBJ-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001317539889 956842086 /nfs/dbraw/zinc/84/20/86/956842086.db2.gz ADEWEITZAKPDBJ-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001331345611 956982727 /nfs/dbraw/zinc/98/27/27/956982727.db2.gz GHJFTXLMHKUVFY-CABCVRRESA-N 1 3 281.444 1.585 10 30 CDEEHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001316773557 957008009 /nfs/dbraw/zinc/00/80/09/957008009.db2.gz WNQKVFXDXFZTKI-JKSUJKDBSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001317158583 957312166 /nfs/dbraw/zinc/31/21/66/957312166.db2.gz USGPRQYLNMUXEO-HOTGVXAUSA-N 1 3 291.439 1.180 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001317336353 957427803 /nfs/dbraw/zinc/42/78/03/957427803.db2.gz INKUFCGWUYBKCW-INIZCTEOSA-N 1 3 293.455 1.733 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001317709484 957644089 /nfs/dbraw/zinc/64/40/89/957644089.db2.gz PFGCMMCKEHPRMJ-HNNXBMFYSA-N 1 3 281.444 1.567 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001317709484 957644092 /nfs/dbraw/zinc/64/40/92/957644092.db2.gz PFGCMMCKEHPRMJ-HNNXBMFYSA-N 1 3 281.444 1.567 10 30 CDEEHO C=CCC[N@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001317810838 957674409 /nfs/dbraw/zinc/67/44/09/957674409.db2.gz GHUWBFNTMNMTAJ-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001317810838 957674418 /nfs/dbraw/zinc/67/44/18/957674418.db2.gz GHUWBFNTMNMTAJ-HNNXBMFYSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[C@H](C)[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001318155161 957947492 /nfs/dbraw/zinc/94/74/92/957947492.db2.gz PHHTWXGEVNKLQX-GJZGRUSLSA-N 1 3 293.455 1.731 10 30 CDEEHO C=CCN1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001494875788 972328541 /nfs/dbraw/zinc/32/85/41/972328541.db2.gz KGQKXQAJTQDAEV-MRXNPFEDSA-N 1 3 293.455 1.971 10 30 CDEEHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001319594974 958646873 /nfs/dbraw/zinc/64/68/73/958646873.db2.gz XUSGAYFHKACERH-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl)CC1 ZINC001322086725 960079162 /nfs/dbraw/zinc/07/91/62/960079162.db2.gz BJWOTLMFQWPHSU-LVDDQXARSA-N 1 3 297.830 1.178 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC001341407783 963403347 /nfs/dbraw/zinc/40/33/47/963403347.db2.gz RXJDAFAOVNRGMA-AWEZNQCLSA-N 1 3 281.444 1.894 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001342017229 963611573 /nfs/dbraw/zinc/61/15/73/963611573.db2.gz ZANOEXHPBYCGCH-CHWSQXEVSA-N 1 3 265.401 1.461 10 30 CDEEHO C=CCCC[C@@H](N)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342951568 963870731 /nfs/dbraw/zinc/87/07/31/963870731.db2.gz QDBSQYUBCLCGCO-BZPMIXESSA-N 1 3 251.374 1.071 10 30 CDEEHO C=C(Cl)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001496626113 972998912 /nfs/dbraw/zinc/99/89/12/972998912.db2.gz DLVBBBSAIWOFRX-CYBMUJFWSA-N 1 3 299.846 1.565 10 30 CDEEHO C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001498659541 974015538 /nfs/dbraw/zinc/01/55/38/974015538.db2.gz ZPAXTTUCLJTILR-AWEZNQCLSA-N 1 3 267.417 1.485 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001501579151 974602628 /nfs/dbraw/zinc/60/26/28/974602628.db2.gz YQQJKNZCFNBVTK-OAHLLOKOSA-N 1 3 293.455 1.875 10 30 CDEEHO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376337985 974634226 /nfs/dbraw/zinc/63/42/26/974634226.db2.gz CSFNXDXNHIZXTF-KGLIPLIRSA-N 1 3 299.846 1.661 10 30 CDEEHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001505450004 974883774 /nfs/dbraw/zinc/88/37/74/974883774.db2.gz SXXJIKDOHKAIID-MRXNPFEDSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001505450004 974883778 /nfs/dbraw/zinc/88/37/78/974883778.db2.gz SXXJIKDOHKAIID-MRXNPFEDSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505455776 974885153 /nfs/dbraw/zinc/88/51/53/974885153.db2.gz HWPWIUVSKDHZQV-AWEZNQCLSA-N 1 3 277.412 1.191 10 30 CDEEHO C#CCCN1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001506666467 975199113 /nfs/dbraw/zinc/19/91/13/975199113.db2.gz QAJRLBPQUAMEJZ-CQSZACIVSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CCN1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001508083398 975600886 /nfs/dbraw/zinc/60/08/86/975600886.db2.gz UOJWZVJJGSUKBA-AWEZNQCLSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[N@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001674157004 1173919727 /nfs/dbraw/zinc/91/97/27/1173919727.db2.gz YQEFRQYHJLXYAF-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CC[N@@H+]1CC[C@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001674157004 1173919735 /nfs/dbraw/zinc/91/97/35/1173919735.db2.gz YQEFRQYHJLXYAF-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001676674907 1174254370 /nfs/dbraw/zinc/25/43/70/1174254370.db2.gz OBNLRDYABHSPNV-TZMCWYRMSA-N 1 3 276.384 1.497 10 30 CDEEHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)CCC ZINC001570748366 1170268146 /nfs/dbraw/zinc/26/81/46/1170268146.db2.gz YKKUYFVKKQBTFX-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CN(C)CCC ZINC001570748366 1170268151 /nfs/dbraw/zinc/26/81/51/1170268151.db2.gz YKKUYFVKKQBTFX-ZDUSSCGKSA-N 1 3 255.406 1.341 10 30 CDEEHO C=CCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001570849596 1170299815 /nfs/dbraw/zinc/29/98/15/1170299815.db2.gz KFXCTIKWLVCSGU-CQSZACIVSA-N 1 3 293.455 1.873 10 30 CDEEHO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001571488708 1170452346 /nfs/dbraw/zinc/45/23/46/1170452346.db2.gz GYXYSGDRHHZICP-HZPDHXFCSA-N 1 3 291.439 1.321 10 30 CDEEHO N#CCCCC[C@@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000594438259 342906310 /nfs/dbraw/zinc/90/63/10/342906310.db2.gz SAXDOTPCWFQYPJ-YMAMQOFZSA-N 1 3 292.427 1.531 10 30 CDEEHO C[C@@H](CNC(=O)[C@H](N)CCCCC#N)C[NH+]1CCCC1 ZINC000594441681 342907373 /nfs/dbraw/zinc/90/73/73/342907373.db2.gz URVRITFLLVAQAK-UONOGXRCSA-N 1 3 280.416 1.246 10 30 CDEEHO CC[NH+](CC)CCCNC[C@@H](O)CC1(C#N)CC1 ZINC000600712836 342243878 /nfs/dbraw/zinc/24/38/78/342243878.db2.gz AYKUVRRKIXDOEI-ZDUSSCGKSA-N 1 3 253.390 1.363 10 30 CDEEHO CCN(CC)CCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600712836 342243879 /nfs/dbraw/zinc/24/38/79/342243879.db2.gz AYKUVRRKIXDOEI-ZDUSSCGKSA-N 1 3 253.390 1.363 10 30 CDEEHO C[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)CN1CCCCC1 ZINC000600722221 342244805 /nfs/dbraw/zinc/24/48/05/342244805.db2.gz ZNFYRMLLODPDHJ-LSDHHAIUSA-N 1 3 279.428 1.753 10 30 CDEEHO C[C@@H](CNC[C@H](O)CC1(C#N)CC1)C[NH+]1CCCCC1 ZINC000600722221 342244806 /nfs/dbraw/zinc/24/48/06/342244806.db2.gz ZNFYRMLLODPDHJ-LSDHHAIUSA-N 1 3 279.428 1.753 10 30 CDEEHO C=CCNC(=O)[C@H](C)N1CCC(C[NH2+]C(C)C)CC1 ZINC000104407519 185991009 /nfs/dbraw/zinc/99/10/09/185991009.db2.gz NKVHNBNNWMKAGR-ZDUSSCGKSA-N 1 3 267.417 1.387 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001663683811 1172746379 /nfs/dbraw/zinc/74/63/79/1172746379.db2.gz HDHRJPURKDHULK-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO CC#CCN(CCC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001663683811 1172746384 /nfs/dbraw/zinc/74/63/84/1172746384.db2.gz HDHRJPURKDHULK-OAHLLOKOSA-N 1 3 279.428 1.180 10 30 CDEEHO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C#CCN)c2)C1 ZINC000044560316 175204010 /nfs/dbraw/zinc/20/40/10/175204010.db2.gz IIAMSBGXTOQVFP-OAHLLOKOSA-N 1 3 285.391 1.068 10 30 CDEEHO C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C#CCN)c2)C1 ZINC000044560316 175204012 /nfs/dbraw/zinc/20/40/12/175204012.db2.gz IIAMSBGXTOQVFP-OAHLLOKOSA-N 1 3 285.391 1.068 10 30 CDEEHO CN(C)C1CC[NH+](CCC[C@](C)(C#N)NC2CC2)CC1 ZINC000045311124 175356626 /nfs/dbraw/zinc/35/66/26/175356626.db2.gz WSRPKESCBFHYKV-MRXNPFEDSA-N 1 3 278.444 1.827 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CCC=C)CC1 ZINC001666673539 1173169931 /nfs/dbraw/zinc/16/99/31/1173169931.db2.gz QCICTIYXGMOEJK-OAHLLOKOSA-N 1 3 291.439 1.250 10 30 CDEEHO C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)N1CCC[C@@H](C)C1 ZINC000249855913 261258876 /nfs/dbraw/zinc/25/88/76/261258876.db2.gz DDBMWWNWCPSALE-MCIONIFRSA-N 1 3 282.432 1.190 10 30 CDEEHO CC(C)CN1CCC[C@@H]1CNC(=[NH2+])N1CCSCC1 ZINC000130839100 264369850 /nfs/dbraw/zinc/36/98/50/264369850.db2.gz HWVJLLNAZYRYQC-CYBMUJFWSA-N 1 3 284.473 1.470 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001667634029 1173299965 /nfs/dbraw/zinc/29/99/65/1173299965.db2.gz FCNQXLMWDVVZKV-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001667634029 1173299974 /nfs/dbraw/zinc/29/99/74/1173299974.db2.gz FCNQXLMWDVVZKV-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262739713 330029010 /nfs/dbraw/zinc/02/90/10/330029010.db2.gz DJAHCOHYINNEOP-OCCSQVGLSA-N 1 3 278.444 1.967 10 30 CDEEHO CCN(CC)[C@@H]1CCN(C(NC[C@@H]2CCC[C@@H]2O)=[NH+]C)C1 ZINC000262796182 330032028 /nfs/dbraw/zinc/03/20/28/330032028.db2.gz POMGLBGZVIDFSG-ZNMIVQPWSA-N 1 3 296.459 1.139 10 30 CDEEHO C[C@@H](N(C)CC#CC[N@H+](C)[C@H](C)C(C)(C)O)C(C)(C)O ZINC000451365989 331025832 /nfs/dbraw/zinc/02/58/32/331025832.db2.gz GCFREDBHQDZBQL-ZIAGYGMSSA-N 1 3 284.444 1.172 10 30 CDEEHO C[C@@H](N(C)CC#CC[N@@H+](C)[C@H](C)C(C)(C)O)C(C)(C)O ZINC000451365989 331025833 /nfs/dbraw/zinc/02/58/33/331025833.db2.gz GCFREDBHQDZBQL-ZIAGYGMSSA-N 1 3 284.444 1.172 10 30 CDEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001731508562 1159298740 /nfs/dbraw/zinc/29/87/40/1159298740.db2.gz OHJLRCZUUSIKTQ-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001731508562 1159298744 /nfs/dbraw/zinc/29/87/44/1159298744.db2.gz OHJLRCZUUSIKTQ-AWEZNQCLSA-N 1 3 267.417 1.342 10 30 CDEEHO C=CCN1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001481781759 1159945577 /nfs/dbraw/zinc/94/55/77/1159945577.db2.gz HLHDRRDQBPBHCJ-INIZCTEOSA-N 1 3 293.455 1.971 10 30 CDEEHO C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001481857317 1159951243 /nfs/dbraw/zinc/95/12/43/1159951243.db2.gz UUZJLAAUWGGONN-JKSUJKDBSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001482331145 1160155279 /nfs/dbraw/zinc/15/52/79/1160155279.db2.gz OCGXZCIINCBVOX-GJZGRUSLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001272152041 1160660869 /nfs/dbraw/zinc/66/08/69/1160660869.db2.gz NBXFEVQVAIKNLW-AWEZNQCLSA-N 1 3 267.417 1.295 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001713530678 1178629343 /nfs/dbraw/zinc/62/93/43/1178629343.db2.gz KHFXGDZOCCTQAY-CYBMUJFWSA-N 1 3 265.401 1.095 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001713530678 1178629346 /nfs/dbraw/zinc/62/93/46/1178629346.db2.gz KHFXGDZOCCTQAY-CYBMUJFWSA-N 1 3 265.401 1.095 10 30 CDEEHO C#CCNCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713667820 1178702438 /nfs/dbraw/zinc/70/24/38/1178702438.db2.gz PBMXBXWYNMRKRL-HNNXBMFYSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CCN(CC=C)C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052376689 518771456 /nfs/dbraw/zinc/77/14/56/518771456.db2.gz DDBMDALRNRJBJC-CABCVRRESA-N 1 3 250.386 1.960 10 30 CDEEHO NCC#Cc1ccccc1OCCC[NH+]1CCCC1 ZINC000049334054 527155316 /nfs/dbraw/zinc/15/53/16/527155316.db2.gz KWAYJBZSHUNQKC-UHFFFAOYSA-N 1 3 258.365 1.862 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218754 613746851 /nfs/dbraw/zinc/74/68/51/613746851.db2.gz YYVXXHGXGUPCHO-UONOGXRCSA-N 1 3 279.428 1.341 10 30 CDEEHO C=CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218754 613746853 /nfs/dbraw/zinc/74/68/53/613746853.db2.gz YYVXXHGXGUPCHO-UONOGXRCSA-N 1 3 279.428 1.341 10 30 CDEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CC[C@@H](C)F)CC1 ZINC001772517052 1158551154 /nfs/dbraw/zinc/55/11/54/1158551154.db2.gz OBSSDCFJWOYINK-KGLIPLIRSA-N 1 3 297.418 1.174 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001732359331 1159784640 /nfs/dbraw/zinc/78/46/40/1159784640.db2.gz BMKWEKZWUBZDRW-ZIAGYGMSSA-N 1 3 267.417 1.246 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CC2CC2)CC1 ZINC001482902979 1160643307 /nfs/dbraw/zinc/64/33/07/1160643307.db2.gz VVIMDMJNYDOJBI-CQSZACIVSA-N 1 3 291.439 1.226 10 30 CDEEHO C=C(C)CN(C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001272152041 1160660864 /nfs/dbraw/zinc/66/08/64/1160660864.db2.gz NBXFEVQVAIKNLW-AWEZNQCLSA-N 1 3 267.417 1.295 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000876728248 1165902606 /nfs/dbraw/zinc/90/26/06/1165902606.db2.gz ZAUMIELEDJPYBU-SRVKXCTJSA-N 1 3 271.792 1.199 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876728248 1165902617 /nfs/dbraw/zinc/90/26/17/1165902617.db2.gz ZAUMIELEDJPYBU-SRVKXCTJSA-N 1 3 271.792 1.199 10 30 CDEEHO C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001568430976 1169285473 /nfs/dbraw/zinc/28/54/73/1169285473.db2.gz CKWKJOYYHYZRPP-HZPDHXFCSA-N 1 3 293.455 1.568 10 30 CDEEHO C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001569401850 1169860012 /nfs/dbraw/zinc/86/00/12/1169860012.db2.gz HRLVSKYZRFMMDJ-ZDUSSCGKSA-N 1 3 265.401 1.285 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001661235693 1172356392 /nfs/dbraw/zinc/35/63/92/1172356392.db2.gz MWOZUMTZZGSCSS-HNNXBMFYSA-N 1 3 281.444 1.683 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001661235693 1172356383 /nfs/dbraw/zinc/35/63/83/1172356383.db2.gz MWOZUMTZZGSCSS-HNNXBMFYSA-N 1 3 281.444 1.683 10 30 CDEEHO C#CC[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001690169275 1175393301 /nfs/dbraw/zinc/39/33/01/1175393301.db2.gz XGWMZQIAVHAHQB-AWEZNQCLSA-N 1 3 279.428 1.082 10 30 CDEEHO C=CC[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001690609837 1175520243 /nfs/dbraw/zinc/52/02/43/1175520243.db2.gz AZAKYHUGVJBXLU-GFCCVEGCSA-N 1 3 253.390 1.141 10 30 CDEEHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CCC ZINC001692382682 1175755759 /nfs/dbraw/zinc/75/57/59/1175755759.db2.gz YOAREKNWACVRGO-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CCC ZINC001692382682 1175755763 /nfs/dbraw/zinc/75/57/63/1175755763.db2.gz YOAREKNWACVRGO-GJZGRUSLSA-N 1 3 279.428 1.580 10 30 CDEEHO CC#CC[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC001698629967 1175880349 /nfs/dbraw/zinc/88/03/49/1175880349.db2.gz HRMCMASCCJKRKJ-UHFFFAOYSA-N 1 3 291.439 1.513 10 30 CDEEHO C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001699488130 1176441424 /nfs/dbraw/zinc/44/14/24/1176441424.db2.gz PFQZGACINZBEGY-KBPBESRZSA-N 1 3 288.395 1.158 10 30 CDEEHO C#CCNC1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001700141681 1176768583 /nfs/dbraw/zinc/76/85/83/1176768583.db2.gz GFOXIZWBVHOYNJ-LSDHHAIUSA-N 1 3 291.439 1.369 10 30 CDEEHO CC#CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001700317823 1176847034 /nfs/dbraw/zinc/84/70/34/1176847034.db2.gz MLJIJHXFZUWIIM-GJZGRUSLSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[N@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001713689329 1178710679 /nfs/dbraw/zinc/71/06/79/1178710679.db2.gz BVONDSYOTILMTL-INIZCTEOSA-N 1 3 295.471 1.813 10 30 CDEEHO CC#CC[N@@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001713689329 1178710683 /nfs/dbraw/zinc/71/06/83/1178710683.db2.gz BVONDSYOTILMTL-INIZCTEOSA-N 1 3 295.471 1.813 10 30 CDEEHO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001713737318 1178730686 /nfs/dbraw/zinc/73/06/86/1178730686.db2.gz CSFMPUGULNDYSA-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001713737318 1178730690 /nfs/dbraw/zinc/73/06/90/1178730690.db2.gz CSFMPUGULNDYSA-CVEARBPZSA-N 1 3 295.471 1.977 10 30 CDEEHO C#CC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001714489775 1179167950 /nfs/dbraw/zinc/16/79/50/1179167950.db2.gz RJQUBSMNTJTTBG-CJNGLKHVSA-N 1 3 297.418 1.317 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001714876920 1179434241 /nfs/dbraw/zinc/43/42/41/1179434241.db2.gz ORAVBOGJLXCTPJ-LSDHHAIUSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001714876920 1179434245 /nfs/dbraw/zinc/43/42/45/1179434245.db2.gz ORAVBOGJLXCTPJ-LSDHHAIUSA-N 1 3 281.444 1.587 10 30 CDEEHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001715422907 1179662991 /nfs/dbraw/zinc/66/29/91/1179662991.db2.gz VOQWNXSIDWYACX-KGLIPLIRSA-N 1 3 267.417 1.339 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715761355 1179794033 /nfs/dbraw/zinc/79/40/33/1179794033.db2.gz HHCQPRBZTHGFRP-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CCNCCN(CC)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001715761355 1179794037 /nfs/dbraw/zinc/79/40/37/1179794037.db2.gz HHCQPRBZTHGFRP-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001731994941 1182718185 /nfs/dbraw/zinc/71/81/85/1182718185.db2.gz TVGDXPTYZDFBPU-ZBFHGGJFSA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001733082575 1183279772 /nfs/dbraw/zinc/27/97/72/1183279772.db2.gz FEYFQJJTFJGRRT-HZPDHXFCSA-N 1 3 293.455 1.616 10 30 CDEEHO CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001733083649 1183281764 /nfs/dbraw/zinc/28/17/64/1183281764.db2.gz NLIKLRFHBKQTLX-CVEARBPZSA-N 1 3 293.455 1.615 10 30 CDEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001733555391 1183465727 /nfs/dbraw/zinc/46/57/27/1183465727.db2.gz QGXMHDSETWZMDN-QWHCGFSZSA-N 1 3 276.384 1.212 10 30 CDEEHO CC#CC[NH2+]C1(CNC(=O)[C@H](F)CN(CC)CC)CCC1 ZINC001733716342 1183506255 /nfs/dbraw/zinc/50/62/55/1183506255.db2.gz RLLOXAKKAHLLIE-CQSZACIVSA-N 1 3 297.418 1.318 10 30 CDEEHO C=CCCC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001733843262 1183547384 /nfs/dbraw/zinc/54/73/84/1183547384.db2.gz AFUCYVPZEYKJPG-HOCLYGCPSA-N 1 3 293.455 1.873 10 30 CDEEHO C=CCN1CCCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001734196246 1183686884 /nfs/dbraw/zinc/68/68/84/1183686884.db2.gz ABMAYUHKMWHJOU-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CCN1CCCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001734196246 1183686887 /nfs/dbraw/zinc/68/68/87/1183686887.db2.gz ABMAYUHKMWHJOU-UHFFFAOYSA-N 1 3 293.455 1.829 10 30 CDEEHO C=CCCC[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001734345781 1183741605 /nfs/dbraw/zinc/74/16/05/1183741605.db2.gz WQMRZANYSKWZPJ-LSDHHAIUSA-N 1 3 281.444 1.731 10 30 CDEEHO C=C(C)CN1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001734456965 1183785589 /nfs/dbraw/zinc/78/55/89/1183785589.db2.gz HRKDKUNYAJDQMC-CABCVRRESA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC001734498976 1183800792 /nfs/dbraw/zinc/80/07/92/1183800792.db2.gz AGHHBVKGJTXLOL-HUUCEWRRSA-N 1 3 293.455 1.731 10 30 CDEEHO C=C(Cl)CNC1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001369576111 959768628 /nfs/dbraw/zinc/76/86/28/959768628.db2.gz XQZAKOOIHROYNR-UHFFFAOYSA-N 1 3 273.808 1.270 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000876505460 1165858602 /nfs/dbraw/zinc/85/86/02/1165858602.db2.gz WDDIYSUJIGMITI-JTQLQIEISA-N 1 3 259.781 1.234 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000876777291 1165914854 /nfs/dbraw/zinc/91/48/54/1165914854.db2.gz PKVRTUPQUUQQQE-STQMWFEESA-N 1 3 287.835 1.647 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000876777291 1165914860 /nfs/dbraw/zinc/91/48/60/1165914860.db2.gz PKVRTUPQUUQQQE-STQMWFEESA-N 1 3 287.835 1.647 10 30 CDEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390718796 976453099 /nfs/dbraw/zinc/45/30/99/976453099.db2.gz KYMAERBFIRRIDX-NEPJUHHUSA-N 1 3 273.808 1.175 10 30 CDEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390718796 976453106 /nfs/dbraw/zinc/45/31/06/976453106.db2.gz KYMAERBFIRRIDX-NEPJUHHUSA-N 1 3 273.808 1.175 10 30 CDEEHO C#CCC[N@@H+](C)CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001566498227 1168309931 /nfs/dbraw/zinc/30/99/31/1168309931.db2.gz YADPBYQWWWCTNH-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO C#CCC[N@H+](C)CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001566498227 1168309938 /nfs/dbraw/zinc/30/99/38/1168309938.db2.gz YADPBYQWWWCTNH-MRXNPFEDSA-N 1 3 293.455 1.711 10 30 CDEEHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001566810911 1168430760 /nfs/dbraw/zinc/43/07/60/1168430760.db2.gz HWXSMMDYUPGMPQ-MGPQQGTHSA-N 1 3 267.417 1.386 10 30 CDEEHO C#CC[NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001567081984 1168552961 /nfs/dbraw/zinc/55/29/61/1168552961.db2.gz FSMQLLXFBFSYDT-CYBMUJFWSA-N 1 3 273.380 1.089 10 30 CDEEHO C=CCN(CC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001266440138 894906623 /nfs/dbraw/zinc/90/66/23/894906623.db2.gz ICPYMKKGTWMPBC-UHFFFAOYSA-N 1 3 267.417 1.487 10 30 CDEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267639085 899123754 /nfs/dbraw/zinc/12/37/54/899123754.db2.gz XYUBWWHUVMYGFX-CABCVRRESA-N 1 3 279.428 1.437 10 30 CDEEHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267639085 899123760 /nfs/dbraw/zinc/12/37/60/899123760.db2.gz XYUBWWHUVMYGFX-CABCVRRESA-N 1 3 279.428 1.437 10 30 CDEEHO C=CC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001481452200 900713398 /nfs/dbraw/zinc/71/33/98/900713398.db2.gz KMLGHPQMRICVAK-GJZGRUSLSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001481452200 900713406 /nfs/dbraw/zinc/71/34/06/900713406.db2.gz KMLGHPQMRICVAK-GJZGRUSLSA-N 1 3 279.428 1.342 10 30 CDEEHO C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001268110511 901312830 /nfs/dbraw/zinc/31/28/30/901312830.db2.gz GMRDBHOJFMQUTJ-HUUCEWRRSA-N 1 3 281.444 1.635 10 30 CDEEHO C=CC[NH2+]CCN(CC)C(=O)c1cccc(CN(C)C)c1 ZINC001268498968 902402285 /nfs/dbraw/zinc/40/22/85/902402285.db2.gz BIBMODFHTYKPNU-UHFFFAOYSA-N 1 3 289.423 1.986 10 30 CDEEHO CC#CC[NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001269558972 903928394 /nfs/dbraw/zinc/92/83/94/903928394.db2.gz NFGHPTAQGCXBEE-CQSZACIVSA-N 1 3 279.428 1.369 10 30 CDEEHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](CC)N(C)C)cc1 ZINC001270081459 904337487 /nfs/dbraw/zinc/33/74/87/904337487.db2.gz CZRRFYPQNOJZBY-INIZCTEOSA-N 1 3 289.423 1.919 10 30 CDEEHO C=CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001482565432 907145872 /nfs/dbraw/zinc/14/58/72/907145872.db2.gz HOEHADFNNAPREK-UONOGXRCSA-N 1 3 269.433 1.489 10 30 CDEEHO C=C(C)CN1CCC(NC(NC2CCC2)=[NH+]C)CC1 ZINC000262760387 907452045 /nfs/dbraw/zinc/45/20/45/907452045.db2.gz DBOIMVQQLIRZAK-UHFFFAOYSA-N 1 3 264.417 1.744 10 30 CDEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001484547635 915874715 /nfs/dbraw/zinc/87/47/15/915874715.db2.gz AHZPGNOKGUPGBP-HZPDHXFCSA-N 1 3 295.471 1.977 10 30 CDEEHO C=C(C)CN1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001485534093 917075533 /nfs/dbraw/zinc/07/55/33/917075533.db2.gz YGZLEPAWXUFUFQ-AWEZNQCLSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CCC[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001485882459 920543148 /nfs/dbraw/zinc/54/31/48/920543148.db2.gz SKYXMXKMGZGTRD-CYBMUJFWSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CCN1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001486184103 920790302 /nfs/dbraw/zinc/79/03/02/920790302.db2.gz QGSVEOYHVIQWRJ-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C=CCN1CCC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001486184103 920790320 /nfs/dbraw/zinc/79/03/20/920790320.db2.gz QGSVEOYHVIQWRJ-GJZGRUSLSA-N 1 3 281.444 1.873 10 30 CDEEHO C#CC[NH2+]CCN(CC)C(=O)CN(C)CC(C)(C)C ZINC001273610440 922284038 /nfs/dbraw/zinc/28/40/38/922284038.db2.gz MTMDNFDWPIOWOO-UHFFFAOYSA-N 1 3 267.417 1.036 10 30 CDEEHO C#CCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCC1 ZINC001273134266 922347864 /nfs/dbraw/zinc/34/78/64/922347864.db2.gz RVXMWDQSGARYDY-UHFFFAOYSA-N 1 3 291.439 1.513 10 30 CDEEHO C#CCNC/C=C\CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001274367577 931494358 /nfs/dbraw/zinc/49/43/58/931494358.db2.gz CILZYNFNAZCPIU-WAYWQWQTSA-N 1 3 299.418 1.300 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001568545865 1169358293 /nfs/dbraw/zinc/35/82/93/1169358293.db2.gz UJDHQXFYZQGTOL-KGLIPLIRSA-N 1 3 267.417 1.387 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001263250974 943807313 /nfs/dbraw/zinc/80/73/13/943807313.db2.gz WJWYZUFWCMJDRV-WDEREUQCSA-N 1 3 259.781 1.105 10 30 CDEEHO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001263927602 944033987 /nfs/dbraw/zinc/03/39/87/944033987.db2.gz KXEAGJIODZRIMX-ZNMIVQPWSA-N 1 3 279.428 1.080 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001264123098 944083188 /nfs/dbraw/zinc/08/31/88/944083188.db2.gz ZKWUHIYORJTHDD-CQSZACIVSA-N 1 3 288.395 1.336 10 30 CDEEHO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001264741844 944173351 /nfs/dbraw/zinc/17/33/51/944173351.db2.gz SXHFQYVBLCOZGV-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001264741844 944173355 /nfs/dbraw/zinc/17/33/55/944173355.db2.gz SXHFQYVBLCOZGV-INIZCTEOSA-N 1 3 293.455 1.970 10 30 CDEEHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001265708313 944477169 /nfs/dbraw/zinc/47/71/69/944477169.db2.gz MKXKGUPVTFMWOE-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001265708313 944477170 /nfs/dbraw/zinc/47/71/70/944477170.db2.gz MKXKGUPVTFMWOE-LSDHHAIUSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001278679053 951611142 /nfs/dbraw/zinc/61/11/42/951611142.db2.gz ZCJGWCPDKPNVJW-HOCLYGCPSA-N 1 3 281.444 1.731 10 30 CDEEHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001278679053 951611136 /nfs/dbraw/zinc/61/11/36/951611136.db2.gz ZCJGWCPDKPNVJW-HOCLYGCPSA-N 1 3 281.444 1.731 10 30 CDEEHO CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001325405382 953889558 /nfs/dbraw/zinc/88/95/58/953889558.db2.gz FZFQFKDEMSSZDG-CABCVRRESA-N 1 3 291.439 1.321 10 30 CDEEHO CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001491873214 955487262 /nfs/dbraw/zinc/48/72/62/955487262.db2.gz CPVZUCGINAFNPX-GJZGRUSLSA-N 1 3 291.439 1.511 10 30 CDEEHO CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001329240393 955771059 /nfs/dbraw/zinc/77/10/59/955771059.db2.gz GHEOIEXFVQOVFM-UYSNPLJNSA-N 1 3 293.455 1.709 10 30 CDEEHO C#CCN[C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001331576998 957148687 /nfs/dbraw/zinc/14/86/87/957148687.db2.gz ZCLNFIBTWKUWTD-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001331576998 957148691 /nfs/dbraw/zinc/14/86/91/957148691.db2.gz ZCLNFIBTWKUWTD-GJZGRUSLSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001317142785 957302079 /nfs/dbraw/zinc/30/20/79/957302079.db2.gz GRFTYMMYDTXVIW-JKSUJKDBSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CCN1CCC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317142785 957302086 /nfs/dbraw/zinc/30/20/86/957302086.db2.gz GRFTYMMYDTXVIW-JKSUJKDBSA-N 1 3 291.439 1.180 10 30 CDEEHO CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317148917 957306869 /nfs/dbraw/zinc/30/68/69/957306869.db2.gz FYFYTOBIQWGELO-HNNXBMFYSA-N 1 3 291.439 1.322 10 30 CDEEHO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001332064727 957421307 /nfs/dbraw/zinc/42/13/07/957421307.db2.gz OUARPGXQRLKTTM-UONOGXRCSA-N 1 3 267.417 1.482 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001317446015 957478705 /nfs/dbraw/zinc/47/87/05/957478705.db2.gz RCGIGAKVXCPOPE-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001317446015 957478711 /nfs/dbraw/zinc/47/87/11/957478711.db2.gz RCGIGAKVXCPOPE-AWEZNQCLSA-N 1 3 267.417 1.483 10 30 CDEEHO C=CC[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001333075899 958058073 /nfs/dbraw/zinc/05/80/73/958058073.db2.gz QUWLATAWDCXDBQ-UHFFFAOYSA-N 1 3 265.401 1.236 10 30 CDEEHO C=CCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001320110888 958944854 /nfs/dbraw/zinc/94/48/54/958944854.db2.gz IZHDBBBOQXMOMO-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001320110888 958944862 /nfs/dbraw/zinc/94/48/62/958944862.db2.gz IZHDBBBOQXMOMO-HOTGVXAUSA-N 1 3 293.455 1.827 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001342308900 963705524 /nfs/dbraw/zinc/70/55/24/963705524.db2.gz ZXYLFAOYJXBZCJ-XJKSGUPXSA-N 1 3 281.444 1.894 10 30 CDEEHO C=CCN1CCC(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC001346289766 965031549 /nfs/dbraw/zinc/03/15/49/965031549.db2.gz ZOOBGXHVCQRHEO-BBRMVZONSA-N 1 3 292.427 1.160 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001357981630 969675842 /nfs/dbraw/zinc/67/58/42/969675842.db2.gz QTUONFSULVQPOG-ZDUSSCGKSA-N 1 3 267.417 1.613 10 30 CDEEHO C=CCCC[C@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001357981630 969675844 /nfs/dbraw/zinc/67/58/44/969675844.db2.gz QTUONFSULVQPOG-ZDUSSCGKSA-N 1 3 267.417 1.613 10 30 CDEEHO C=CCCC[C@H]([NH3+])C(=O)N1CCN(C)C(C)(C)CC1 ZINC001357981630 969675847 /nfs/dbraw/zinc/67/58/47/969675847.db2.gz QTUONFSULVQPOG-ZDUSSCGKSA-N 1 3 267.417 1.613 10 30 CDEEHO C=CCN1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569642164 1169949310 /nfs/dbraw/zinc/94/93/10/1169949310.db2.gz YGSAPXJWMUWYJX-ZBFHGGJFSA-N 1 3 279.428 1.627 10 30 CDEEHO C=CCN1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001569642164 1169949315 /nfs/dbraw/zinc/94/93/15/1169949315.db2.gz YGSAPXJWMUWYJX-ZBFHGGJFSA-N 1 3 279.428 1.627 10 30 CDEEHO CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001503503162 974823203 /nfs/dbraw/zinc/82/32/03/974823203.db2.gz ULPIHEUMXXMGJD-JKSUJKDBSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001506158222 975118314 /nfs/dbraw/zinc/11/83/14/975118314.db2.gz FXVLCHNNKKMFCT-GJZGRUSLSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCC[N@@H+](C)CCN(C(=O)CN(C)C1CCC1)C(C)C ZINC001677202226 1174335722 /nfs/dbraw/zinc/33/57/22/1174335722.db2.gz ZMWFBQHYOQUMAO-UHFFFAOYSA-N 1 3 293.455 1.663 10 30 CDEEHO C#CCC[N@H+](C)CCN(C(=O)CN(C)C1CCC1)C(C)C ZINC001677202226 1174335726 /nfs/dbraw/zinc/33/57/26/1174335726.db2.gz ZMWFBQHYOQUMAO-UHFFFAOYSA-N 1 3 293.455 1.663 10 30 CDEEHO C#CCN1CCC(C(=O)NCC[C@@H]([NH2+]CC)C(C)C)CC1 ZINC001571353475 1170380968 /nfs/dbraw/zinc/38/09/68/1170380968.db2.gz ZUHIAZGGLSWKRU-MRXNPFEDSA-N 1 3 293.455 1.472 10 30 CDEEHO C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)(C)C ZINC001571624918 1170500921 /nfs/dbraw/zinc/50/09/21/1170500921.db2.gz SMSKHDBMNXYKSX-GJZGRUSLSA-N 1 3 293.455 1.613 10 30 CDEEHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)CC1(C#N)CC1 ZINC000599300074 343999057 /nfs/dbraw/zinc/99/90/57/343999057.db2.gz MGOSJEXGNRECJE-LSDHHAIUSA-N 1 3 279.428 1.847 10 30 CDEEHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)CC1(C#N)CC1 ZINC000599300074 343999060 /nfs/dbraw/zinc/99/90/60/343999060.db2.gz MGOSJEXGNRECJE-LSDHHAIUSA-N 1 3 279.428 1.847 10 30 CDEEHO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000593915008 342856479 /nfs/dbraw/zinc/85/64/79/342856479.db2.gz SUWTZEHJWZOCMQ-AWEZNQCLSA-N 1 3 274.368 1.043 10 30 CDEEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594437100 342898215 /nfs/dbraw/zinc/89/82/15/342898215.db2.gz IAIREWQEHGMXQE-KBPBESRZSA-N 1 3 280.416 1.340 10 30 CDEEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594437100 342898217 /nfs/dbraw/zinc/89/82/17/342898217.db2.gz IAIREWQEHGMXQE-KBPBESRZSA-N 1 3 280.416 1.340 10 30 CDEEHO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](N)CCCCC#N ZINC000594435827 342899173 /nfs/dbraw/zinc/89/91/73/342899173.db2.gz ADBNUSXNMGNWAZ-KBPBESRZSA-N 1 3 280.416 1.388 10 30 CDEEHO C=C(C)[C@H](CO)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639705196 364458248 /nfs/dbraw/zinc/45/82/48/364458248.db2.gz UJONUDPWELZCPE-HNNXBMFYSA-N 1 3 261.369 1.531 10 30 CDEEHO C=C(C)[C@H](CO)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000649336481 392061032 /nfs/dbraw/zinc/06/10/32/392061032.db2.gz ZDWGPZSVTWPRKV-GJZGRUSLSA-N 1 3 270.417 1.356 10 30 CDEEHO C=CCN1CCC(NC(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662721369 413381501 /nfs/dbraw/zinc/38/15/01/413381501.db2.gz OGLNXHJOARGRJF-UHFFFAOYSA-N 1 3 277.412 1.415 10 30 CDEEHO C=CC[C@@]1(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCC[NH2+]1 ZINC000662855261 413613251 /nfs/dbraw/zinc/61/32/51/413613251.db2.gz WCKAWTUAKUYEIC-BBRMVZONSA-N 1 3 279.428 1.674 10 30 CDEEHO C=CC[C@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662299611 414626312 /nfs/dbraw/zinc/62/63/12/414626312.db2.gz SHZAKRCOTBITGH-KBPBESRZSA-N 1 3 250.386 1.796 10 30 CDEEHO C=CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662299611 414626314 /nfs/dbraw/zinc/62/63/14/414626314.db2.gz SHZAKRCOTBITGH-KBPBESRZSA-N 1 3 250.386 1.796 10 30 CDEEHO CNC(=O)C1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000043683936 175091832 /nfs/dbraw/zinc/09/18/32/175091832.db2.gz PJDJAEVFWRNNHW-UHFFFAOYSA-N 1 3 291.420 1.016 10 30 CDEEHO NCC#Cc1csc(C[N@H+](CCO)C2CCCC2)c1 ZINC000043689097 175095827 /nfs/dbraw/zinc/09/58/27/175095827.db2.gz UPDUSIMFTUTHHA-UHFFFAOYSA-N 1 3 278.421 1.795 10 30 CDEEHO NCC#Cc1csc(C[N@@H+](CCO)C2CCCC2)c1 ZINC000043689097 175095829 /nfs/dbraw/zinc/09/58/29/175095829.db2.gz UPDUSIMFTUTHHA-UHFFFAOYSA-N 1 3 278.421 1.795 10 30 CDEEHO CN(Cc1ccc(C#CCN)cc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000071190478 176066551 /nfs/dbraw/zinc/06/65/51/176066551.db2.gz DWXFRWAOPGADTB-OAHLLOKOSA-N 1 3 289.398 1.519 10 30 CDEEHO CN(Cc1ccc(C#CCN)cc1F)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190478 176066553 /nfs/dbraw/zinc/06/65/53/176066553.db2.gz DWXFRWAOPGADTB-OAHLLOKOSA-N 1 3 289.398 1.519 10 30 CDEEHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001666172092 1173114640 /nfs/dbraw/zinc/11/46/40/1173114640.db2.gz BESLHNBZUVDXFC-OAHLLOKOSA-N 1 3 279.428 1.178 10 30 CDEEHO CC#CC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001666318572 1173125424 /nfs/dbraw/zinc/12/54/24/1173125424.db2.gz JHHOSSGTZRSUNY-SHTZXODSSA-N 1 3 279.428 1.369 10 30 CDEEHO CNC(NC1CCN(Cc2ccccc2)CC1)=[NH+]C ZINC000263955178 330060870 /nfs/dbraw/zinc/06/08/70/330060870.db2.gz IDRMNKSJFRXMPN-UHFFFAOYSA-N 1 3 260.385 1.446 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000424167551 330309926 /nfs/dbraw/zinc/30/99/26/330309926.db2.gz CRCFYHXPJPBSCO-XGUBFFRZSA-N 1 3 250.386 1.794 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424167551 330309927 /nfs/dbraw/zinc/30/99/27/330309927.db2.gz CRCFYHXPJPBSCO-XGUBFFRZSA-N 1 3 250.386 1.794 10 30 CDEEHO C=C[C@@H]1OCC[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424167551 330309928 /nfs/dbraw/zinc/30/99/28/330309928.db2.gz CRCFYHXPJPBSCO-XGUBFFRZSA-N 1 3 250.386 1.794 10 30 CDEEHO C=CCCC[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001732133128 1159738184 /nfs/dbraw/zinc/73/81/84/1159738184.db2.gz DPLFEOACBAJSDO-AWEZNQCLSA-N 1 3 279.428 1.342 10 30 CDEEHO C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001481857313 1159950895 /nfs/dbraw/zinc/95/08/95/1159950895.db2.gz UUZJLAAUWGGONN-CVEARBPZSA-N 1 3 293.455 1.757 10 30 CDEEHO C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001714798876 1179402667 /nfs/dbraw/zinc/40/26/67/1179402667.db2.gz YQZYBHIDIWZNSD-OAHLLOKOSA-N 1 3 281.444 1.875 10 30 CDEEHO COc1ccc(C[N@H+](C)C2CCOCC2)cc1C#CCN ZINC000049609339 524002750 /nfs/dbraw/zinc/00/27/50/524002750.db2.gz ISGMVSYOPVFMJQ-UHFFFAOYSA-N 1 3 288.391 1.616 10 30 CDEEHO COc1ccc(C[N@@H+](C)C2CCOCC2)cc1C#CCN ZINC000049609339 524002755 /nfs/dbraw/zinc/00/27/55/524002755.db2.gz ISGMVSYOPVFMJQ-UHFFFAOYSA-N 1 3 288.391 1.616 10 30 CDEEHO N#C[C@H](N)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062439505 526508831 /nfs/dbraw/zinc/50/88/31/526508831.db2.gz AXYMGKDQPMEYJU-CQSZACIVSA-N 1 3 250.390 1.035 10 30 CDEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC=C)CC1 ZINC001725131020 1159137033 /nfs/dbraw/zinc/13/70/33/1159137033.db2.gz SIWBCDAZVBRIRG-UONOGXRCSA-N 1 3 277.412 1.000 10 30 CDEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000876768114 1165911949 /nfs/dbraw/zinc/91/19/49/1165911949.db2.gz DMJQRLUJBKLDET-ZIAGYGMSSA-N 1 3 299.846 1.933 10 30 CDEEHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001568336198 1169252046 /nfs/dbraw/zinc/25/20/46/1169252046.db2.gz OJEXSMWQLSJDHT-HUUCEWRRSA-N 1 3 281.444 1.326 10 30 CDEEHO C#CCC[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)C ZINC001571636901 1170504856 /nfs/dbraw/zinc/50/48/56/1170504856.db2.gz KPDVZPNICBBDFY-AWEZNQCLSA-N 1 3 290.411 1.404 10 30 CDEEHO C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001669955822 1173637511 /nfs/dbraw/zinc/63/75/11/1173637511.db2.gz KTIMYKNMMXUOLB-CABCVRRESA-N 1 3 293.455 1.921 10 30 CDEEHO C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCC ZINC001699485080 1176440334 /nfs/dbraw/zinc/44/03/34/1176440334.db2.gz CDTABGPIIKUFNS-GJZGRUSLSA-N 1 3 281.444 1.779 10 30 CDEEHO C=C(C)CC[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001699550543 1176472784 /nfs/dbraw/zinc/47/27/84/1176472784.db2.gz IORKAICHJVPUEC-UHFFFAOYSA-N 1 3 267.417 1.487 10 30 CDEEHO C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001699736990 1176597126 /nfs/dbraw/zinc/59/71/26/1176597126.db2.gz KIZAHNOCKHXJQT-STQMWFEESA-N 1 3 276.384 1.497 10 30 CDEEHO C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001699934114 1176687347 /nfs/dbraw/zinc/68/73/47/1176687347.db2.gz JZGNXLBCVZBYJJ-CABCVRRESA-N 1 3 293.455 1.873 10 30 CDEEHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001714334886 1179090095 /nfs/dbraw/zinc/09/00/95/1179090095.db2.gz FFBOBWKISXIDEJ-ZDUSSCGKSA-N 1 3 253.390 1.093 10 30 CDEEHO C=CCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001714717085 1179355863 /nfs/dbraw/zinc/35/58/63/1179355863.db2.gz WLPPQAMWWMLJJS-ZDUSSCGKSA-N 1 3 255.406 1.197 10 30 CDEEHO C=CCC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001715648266 1179752670 /nfs/dbraw/zinc/75/26/70/1179752670.db2.gz ZIVYBZFFUUHCDW-CABCVRRESA-N 1 3 281.444 1.635 10 30 CDEEHO C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCC ZINC001716519923 1180263825 /nfs/dbraw/zinc/26/38/25/1180263825.db2.gz IEFJSIUIWKWHJB-CVEARBPZSA-N 1 3 293.455 1.616 10 30 CDEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001716614404 1180306043 /nfs/dbraw/zinc/30/60/43/1180306043.db2.gz VAWNCQYTFZFCFL-CQSZACIVSA-N 1 3 279.428 1.531 10 30 CDEEHO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C2 ZINC001717000341 1180497353 /nfs/dbraw/zinc/49/73/53/1180497353.db2.gz MJUIHVIGUJZICW-MUJYYYPQSA-N 1 3 291.439 1.319 10 30 CDEEHO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C2 ZINC001717000341 1180497358 /nfs/dbraw/zinc/49/73/58/1180497358.db2.gz MJUIHVIGUJZICW-MUJYYYPQSA-N 1 3 291.439 1.319 10 30 CDEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001723297260 1181533121 /nfs/dbraw/zinc/53/31/21/1181533121.db2.gz FMPUBMRAZYPZSM-HZPDHXFCSA-N 1 3 291.439 1.367 10 30 CDEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001723875042 1181613793 /nfs/dbraw/zinc/61/37/93/1181613793.db2.gz KNNHSLNFKRIEPY-LSDHHAIUSA-N 1 3 279.428 1.319 10 30 CDEEHO CC#CCN[C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001725600513 1182068371 /nfs/dbraw/zinc/06/83/71/1182068371.db2.gz WRCVDCNSCCYNME-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO CC#CCN[C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001725600513 1182068378 /nfs/dbraw/zinc/06/83/78/1182068378.db2.gz WRCVDCNSCCYNME-LSDHHAIUSA-N 1 3 279.428 1.321 10 30 CDEEHO C=C(C)CC[NH2+][C@H](CNC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001731409343 1182368494 /nfs/dbraw/zinc/36/84/94/1182368494.db2.gz RWMMJNBXLLBMTG-OAHLLOKOSA-N 1 3 290.411 1.711 10 30 CDEEHO C#CCCN(C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731791871 1182582077 /nfs/dbraw/zinc/58/20/77/1182582077.db2.gz MOSBNKUBBWFITK-GJZGRUSLSA-N 1 3 279.428 1.178 10 30 CDEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001732004699 1182721719 /nfs/dbraw/zinc/72/17/19/1182721719.db2.gz VLPAOURBIHFEAN-AWEZNQCLSA-N 1 3 281.444 1.729 10 30 CDEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001732076402 1182753630 /nfs/dbraw/zinc/75/36/30/1182753630.db2.gz NQZHXXNLNAVYNJ-OAHLLOKOSA-N 1 3 279.428 1.274 10 30 CDEEHO C#CC[NH2+]Cc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001732318069 1182904264 /nfs/dbraw/zinc/90/42/64/1182904264.db2.gz CLCNSJFPJIAHEN-OAHLLOKOSA-N 1 3 299.418 1.367 10 30 CDEEHO CC#CC[N@@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001733758796 1183521221 /nfs/dbraw/zinc/52/12/21/1183521221.db2.gz BSJIHZXUNLYUII-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO CC#CC[N@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001733758796 1183521243 /nfs/dbraw/zinc/52/12/43/1183521243.db2.gz BSJIHZXUNLYUII-HNNXBMFYSA-N 1 3 291.439 1.465 10 30 CDEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001771857970 1184776942 /nfs/dbraw/zinc/77/69/42/1184776942.db2.gz VGGAGQPNDZILAJ-SRVKXCTJSA-N 1 3 273.808 1.445 10 30 CDEEHO