smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000582682737 1186607731 /nfs/dbraw/zinc/60/77/31/1186607731.db2.gz DWZAQHXTZIKKIG-LJQANCHMSA-N 2 0 391.560 0.380 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)CC1 ZINC000972424046 1186717878 /nfs/dbraw/zinc/71/78/78/1186717878.db2.gz XKZQVPDUKGOXFV-VBSBHUPXSA-N 2 0 386.540 0.731 20 30 GCEDRP CC[NH+]1CCC(CCNC(=[NH+]C)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000261763310 1193879573 /nfs/dbraw/zinc/87/95/73/1193879573.db2.gz NFKHRNFWEYPDKY-FQEVSTJZSA-N 2 0 392.548 0.994 20 30 GCEDRP C[NH+]=C(NCCNS(=O)(=O)c1cccnc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000261790101 1193941387 /nfs/dbraw/zinc/94/13/87/1193941387.db2.gz KWYQQGGVUQNECX-INIZCTEOSA-N 2 0 394.545 0.496 20 30 GCEDRP C[NH+]=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262821506 1193956442 /nfs/dbraw/zinc/95/64/42/1193956442.db2.gz XBCDZIQCNCQXBX-GOSISDBHSA-N 2 0 387.528 0.929 20 30 GCEDRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1 ZINC000419867768 1194126877 /nfs/dbraw/zinc/12/68/77/1194126877.db2.gz BAOZBHWZCRYVNC-APWZRJJASA-N 2 0 385.512 0.953 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000261822826 1194229469 /nfs/dbraw/zinc/22/94/69/1194229469.db2.gz KKOGMOCQMRZQKZ-LSDHHAIUSA-N 2 0 376.471 0.520 20 30 GCEDRP CC[NH+]=C(NCCC1CC[NH+](C)CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261829539 1194257909 /nfs/dbraw/zinc/25/79/09/1194257909.db2.gz VHIPGFYWPPDNTH-FQEVSTJZSA-N 2 0 392.548 0.994 20 30 GCEDRP CC[NH+]=C(NCCC1CC[NH+](C)CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261829544 1194257924 /nfs/dbraw/zinc/25/79/24/1194257924.db2.gz VHIPGFYWPPDNTH-HXUWFJFHSA-N 2 0 392.548 0.994 20 30 GCEDRP C[C@H]1CN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1 ZINC000423041139 1194721374 /nfs/dbraw/zinc/72/13/74/1194721374.db2.gz WEWZLGPDMJWOMQ-IRXDYDNUSA-N 2 0 383.496 0.801 20 30 GCEDRP CN1CCN(C(=O)c2cc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)ccn2)CC1 ZINC000329291036 1196182787 /nfs/dbraw/zinc/18/27/87/1196182787.db2.gz QQRFXTUSDKLAFE-KRWDZBQOSA-N 2 0 384.484 0.961 20 30 GCEDRP CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000262341327 1196234108 /nfs/dbraw/zinc/23/41/08/1196234108.db2.gz XEBCITGDMHHHKG-KRWDZBQOSA-N 2 0 392.548 0.201 20 30 GCEDRP C[C@@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000330240589 1196261221 /nfs/dbraw/zinc/26/12/21/1196261221.db2.gz FIABTXNGYLOBFG-ZWKOTPCHSA-N 2 0 381.565 0.969 20 30 GCEDRP CC[NH+]1CCN([C@H](C)CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000133878087 1197383843 /nfs/dbraw/zinc/38/38/43/1197383843.db2.gz TXLIZJLVDYPSNR-IAGOWNOFSA-N 2 0 394.564 0.893 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000426924727 1200601936 /nfs/dbraw/zinc/60/19/36/1200601936.db2.gz HTHWMHHHKCCHQK-UHFFFAOYSA-N 2 0 388.516 1.245 20 30 GCEDRP C#CCNC(=O)C1CC[NH+](CC[C@H](C)[NH+]2CCC(C(=O)NCC#C)CC2)CC1 ZINC000770158566 1202087952 /nfs/dbraw/zinc/08/79/52/1202087952.db2.gz ZKRZZSZFQZAAAI-SFHVURJKSA-N 2 0 386.540 0.688 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccnc(C#N)n2)[C@H](O)OC(C)(C)C)C1 ZINC001170388642 1205491295 /nfs/dbraw/zinc/49/12/95/1205491295.db2.gz OTQMOVIXTZGOSE-TZUPDSNESA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncncc2C#N)[C@@H](O)OC(C)(C)C)C1 ZINC001170389081 1205491299 /nfs/dbraw/zinc/49/12/99/1205491299.db2.gz QDBGAAPKHVQQAD-AHMROAQXSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C#N)ncn2)[C@H](O)OC(C)(C)C)C1 ZINC001170388004 1205491371 /nfs/dbraw/zinc/49/13/71/1205491371.db2.gz ISGOWQHGYWRZKX-LZDZAVHKSA-N 2 0 392.504 0.622 20 30 GCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130592890 1205554302 /nfs/dbraw/zinc/55/43/02/1205554302.db2.gz JSYAEWBBZJTQPY-VXIBKDFQSA-N 2 0 375.517 0.847 20 30 GCEDRP C#CCNc1nc(N2C[C@@H](C)[NH+](C)[C@@H](C)C2)nc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1 ZINC000814929708 1205696793 /nfs/dbraw/zinc/69/67/93/1205696793.db2.gz UUOYEWBQSHYPMH-WNKDZCFJSA-N 2 0 386.548 0.396 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)NCC2(NC(=O)C3CC[NH+](CC#C)CC3)CC2)CC1 ZINC000773408301 1205732588 /nfs/dbraw/zinc/73/25/88/1205732588.db2.gz IZCSVMLPIYTPFW-UHFFFAOYSA-N 2 0 384.524 0.442 20 30 GCEDRP C#CC(C)(C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001182639113 1205877768 /nfs/dbraw/zinc/87/77/68/1205877768.db2.gz YDQLUDMSILLAAX-DNCCFGNJSA-N 2 0 383.533 0.941 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]2C#N)[C@@H](O)OC(C)(C)C)C1 ZINC001186985503 1205952433 /nfs/dbraw/zinc/95/24/33/1205952433.db2.gz NKOVMNHJTLPEOR-QTMLKOJVSA-N 2 0 382.505 0.442 20 30 GCEDRP CN(C(=O)NCC(=O)NCC#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000511900483 1192194942 /nfs/dbraw/zinc/19/49/42/1192194942.db2.gz HEQYPFISTDNJCU-DLBZAZTESA-N 2 0 378.521 0.605 20 30 GCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261648480 1192635076 /nfs/dbraw/zinc/63/50/76/1192635076.db2.gz DUXGFEKKOFVLHF-INIZCTEOSA-N 2 0 378.471 0.662 20 30 GCEDRP CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000261656488 1192646504 /nfs/dbraw/zinc/64/65/04/1192646504.db2.gz NJZWHPZXDYTOHZ-QGZVFWFLSA-N 2 0 383.562 0.570 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)NCCN(CC)C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC000275439116 1184669733 /nfs/dbraw/zinc/66/97/33/1184669733.db2.gz HIPZDHUFFIIXDY-UHFFFAOYSA-N 2 0 386.540 0.642 20 30 GCEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155836344 1185342760 /nfs/dbraw/zinc/34/27/60/1185342760.db2.gz ZGCCGPVAPFIXRP-INIZCTEOSA-N 2 0 375.521 0.765 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261699707 1185376643 /nfs/dbraw/zinc/37/66/43/1185376643.db2.gz GAZSHKPIAOSUIR-IFXJQAMLSA-N 2 0 378.521 0.604 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)CC1 ZINC001021803841 1185562591 /nfs/dbraw/zinc/56/25/91/1185562591.db2.gz KCBNJBNBUDGQOZ-GSEOLPGOSA-N 2 0 386.540 0.731 20 30 GCEDRP C(#CC[NH+]1CCC(Cn2ccnn2)CC1)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000276320543 1185734443 /nfs/dbraw/zinc/73/44/43/1185734443.db2.gz OPPYOPRAIVFVBK-UHFFFAOYSA-N 2 0 382.516 0.997 20 30 GCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000582682731 1186607987 /nfs/dbraw/zinc/60/79/87/1186607987.db2.gz DWZAQHXTZIKKIG-IBGZPJMESA-N 2 0 391.560 0.380 20 30 GCEDRP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000261719342 1193781913 /nfs/dbraw/zinc/78/19/13/1193781913.db2.gz WLNUYKUQCYROTN-QGZVFWFLSA-N 2 0 385.578 0.794 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261722198 1193785460 /nfs/dbraw/zinc/78/54/60/1193785460.db2.gz KWKNQEGDATTYKW-IEBWSBKVSA-N 2 0 379.549 0.612 20 30 GCEDRP C[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261750989 1193869637 /nfs/dbraw/zinc/86/96/37/1193869637.db2.gz LVVGFQGBRMEKFS-LIRRHRJNSA-N 2 0 378.521 0.604 20 30 GCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261815534 1194199419 /nfs/dbraw/zinc/19/94/19/1194199419.db2.gz TXLQQVCRIVEGOP-BEFAXECRSA-N 2 0 378.521 0.746 20 30 GCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261815539 1194199460 /nfs/dbraw/zinc/19/94/60/1194199460.db2.gz TXLQQVCRIVEGOP-DNVCBOLYSA-N 2 0 378.521 0.746 20 30 GCEDRP CC(C)(CC#N)CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422289072 1194604492 /nfs/dbraw/zinc/60/44/92/1194604492.db2.gz XYAYROFODDCZSX-UHFFFAOYSA-N 2 0 386.500 0.766 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261871006 1194650244 /nfs/dbraw/zinc/65/02/44/1194650244.db2.gz ZQKGBXZCIHUQCQ-INIZCTEOSA-N 2 0 375.521 0.909 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423076075 1194727702 /nfs/dbraw/zinc/72/77/02/1194727702.db2.gz QCVHVCHEMFOUQY-RBUKOAKNSA-N 2 0 383.496 0.516 20 30 GCEDRP C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000423075568 1194727866 /nfs/dbraw/zinc/72/78/66/1194727866.db2.gz OSWPBRQZMWPWFA-LPHOPBHVSA-N 2 0 385.512 0.892 20 30 GCEDRP CS(=O)(=O)N1CC[C@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000261913500 1194835296 /nfs/dbraw/zinc/83/52/96/1194835296.db2.gz UAERVQOOXPEYNN-QGZVFWFLSA-N 2 0 393.557 0.837 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000517904759 1195227989 /nfs/dbraw/zinc/22/79/89/1195227989.db2.gz ODGUAGUXBYSDBE-SFHVURJKSA-N 2 0 393.576 0.533 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)N(CC)C2CN(C(=O)C3CC[NH+](CC#C)CC3)C2)CC1 ZINC000280824505 1195794817 /nfs/dbraw/zinc/79/48/17/1195794817.db2.gz RQMPMROZNVTHDZ-UHFFFAOYSA-N 2 0 398.551 0.736 20 30 GCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000330151235 1196256012 /nfs/dbraw/zinc/25/60/12/1196256012.db2.gz LHYDNIBUAMVZFB-SJORKVTESA-N 2 0 381.521 0.250 20 30 GCEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(Cc2cc(C)on2)CC1 ZINC000262763429 1197158709 /nfs/dbraw/zinc/15/87/09/1197158709.db2.gz FBUGGMPBQGSKPC-SFHVURJKSA-N 2 0 375.521 0.066 20 30 GCEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(Cc2cccs2)CC1 ZINC000262789255 1197163124 /nfs/dbraw/zinc/16/31/24/1197163124.db2.gz NKPIDLNQAWSSAU-KRWDZBQOSA-N 2 0 376.574 0.831 20 30 GCEDRP C[NH+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000262845902 1197170235 /nfs/dbraw/zinc/17/02/35/1197170235.db2.gz YIXONEPFBZOMDS-KRWDZBQOSA-N 2 0 398.511 0.160 20 30 GCEDRP C[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C[NH+]1CCN(C)CC1 ZINC000133894333 1197384479 /nfs/dbraw/zinc/38/44/79/1197384479.db2.gz LIOSSUVNBSZWNO-IAGOWNOFSA-N 2 0 394.564 0.750 20 30 GCEDRP C#CCNC(=O)C1CC[NH+](CC(C)C[NH+]2CCC(C(=O)NCC#C)CC2)CC1 ZINC000736309389 1201713254 /nfs/dbraw/zinc/71/32/54/1201713254.db2.gz WHVLQVFNMAGIPK-UHFFFAOYSA-N 2 0 386.540 0.545 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccnc(C#N)n2)[C@H](O)OC(C)(C)C)C1 ZINC001170388639 1205491349 /nfs/dbraw/zinc/49/13/49/1205491349.db2.gz OTQMOVIXTZGOSE-LGEZUQEUSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C#N)cnn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170398278 1205491567 /nfs/dbraw/zinc/49/15/67/1205491567.db2.gz WVZRKYITZGGMLX-YDRHNJASSA-N 2 0 392.504 0.622 20 30 GCEDRP C#CCNc1nc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000804588736 1205518514 /nfs/dbraw/zinc/51/85/14/1205518514.db2.gz PRIDGQFKAPRVKL-YVSFHVDLSA-N 2 0 386.548 0.396 20 30 GCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001129850202 1205520950 /nfs/dbraw/zinc/52/09/50/1205520950.db2.gz RIYNONGBHZMLIJ-MLHJIOFPSA-N 2 0 376.505 0.553 20 30 GCEDRP C#CCNc1nc(N2CC[NH+](CC)C[C@H]2C)nc(N2CC[N@@H+](CC)C[C@@H]2C)n1 ZINC000804793950 1205525821 /nfs/dbraw/zinc/52/58/21/1205525821.db2.gz ADXTYPIQNLGVKO-CALCHBBNSA-N 2 0 386.548 0.399 20 30 GCEDRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001130596699 1205555097 /nfs/dbraw/zinc/55/50/97/1205555097.db2.gz QNLMLOWZQJHACO-RAUXBKROSA-N 2 0 387.528 0.684 20 30 GCEDRP C[C@@H](CCCC#N)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001172484549 1205715767 /nfs/dbraw/zinc/71/57/67/1205715767.db2.gz GEWFUFSOTOBXRR-SFHVURJKSA-N 2 0 375.510 0.700 20 30 GCEDRP C=C(C[NH+]1CCCC1)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001183092348 1205886758 /nfs/dbraw/zinc/88/67/58/1205886758.db2.gz YATMZJLSQXDXCD-UHFFFAOYSA-N 2 0 378.498 0.585 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573283630 946721439 /nfs/dbraw/zinc/72/14/39/946721439.db2.gz UNCFWLXFGICHDR-UHFFFAOYSA-N 2 0 382.472 0.208 20 30 GCEDRP C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262755831 639136081 /nfs/dbraw/zinc/13/60/81/639136081.db2.gz BFHACEBPDUGLBA-UONOGXRCSA-N 2 0 389.591 0.155 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261648481 1192635388 /nfs/dbraw/zinc/63/53/88/1192635388.db2.gz DUXGFEKKOFVLHF-MRXNPFEDSA-N 2 0 378.471 0.662 20 30 GCEDRP C[NH+]=C(NCc1cccc(C[NH+](C)C)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155841190 1185372790 /nfs/dbraw/zinc/37/27/90/1185372790.db2.gz REEJPAVLZIGSIC-UHFFFAOYSA-N 2 0 383.500 0.906 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(C)(C)C#N)[C@H](O)OC(C)(C)C)C1 ZINC001143405145 1185975424 /nfs/dbraw/zinc/97/54/24/1185975424.db2.gz UFJKEZPBBHSIRM-WNZSCWOMSA-N 2 0 384.521 0.832 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652692072 1189388590 /nfs/dbraw/zinc/38/85/90/1189388590.db2.gz ICKOLWYKLXGYIS-YQVWRLOYSA-N 2 0 392.544 0.888 20 30 GCEDRP C[NH+]=C(NC[C@H]1C[N@H+](CC(C)C)CCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261759753 1193876175 /nfs/dbraw/zinc/87/61/75/1193876175.db2.gz OEUWGPQUHSLQED-KRWDZBQOSA-N 2 0 391.520 0.001 20 30 GCEDRP C[NH+]=C(NCC[NH+]1CCC(C)CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261764548 1193880368 /nfs/dbraw/zinc/88/03/68/1193880368.db2.gz NJDHBDKNUNGYRA-IBGZPJMESA-N 2 0 378.521 0.604 20 30 GCEDRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419867782 1194126918 /nfs/dbraw/zinc/12/69/18/1194126918.db2.gz BAOZBHWZCRYVNC-VQIMIIECSA-N 2 0 385.512 0.953 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419980820 1194151915 /nfs/dbraw/zinc/15/19/15/1194151915.db2.gz RKMHYEWZYUMDKM-GOSISDBHSA-N 2 0 385.512 0.954 20 30 GCEDRP CC[NH+]=C(NCC[NH+]1CCC(C)CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261820043 1194225819 /nfs/dbraw/zinc/22/58/19/1194225819.db2.gz UKHUQLHYZUEKAU-HXUWFJFHSA-N 2 0 392.548 0.994 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261822823 1194229339 /nfs/dbraw/zinc/22/93/39/1194229339.db2.gz KKOGMOCQMRZQKZ-HUUCEWRRSA-N 2 0 376.471 0.520 20 30 GCEDRP [NH2+]=C(NCCCN1CCOCC1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272892209 1194516051 /nfs/dbraw/zinc/51/60/51/1194516051.db2.gz IYCOFFHBUYLSIP-IBGZPJMESA-N 2 0 375.517 0.380 20 30 GCEDRP CS(=O)(=O)N1CC[C@@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000261913498 1194835145 /nfs/dbraw/zinc/83/51/45/1194835145.db2.gz UAERVQOOXPEYNN-KRWDZBQOSA-N 2 0 393.557 0.837 20 30 GCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000563906280 1196450534 /nfs/dbraw/zinc/45/05/34/1196450534.db2.gz RTSWDPDHAUBCTB-RBUKOAKNSA-N 2 0 392.544 0.637 20 30 GCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000525123718 1196651106 /nfs/dbraw/zinc/65/11/06/1196651106.db2.gz NGFYTFFZUCUKKS-HNNXBMFYSA-N 2 0 395.548 0.803 20 30 GCEDRP CN(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000530641821 1197003414 /nfs/dbraw/zinc/00/34/14/1197003414.db2.gz RICBTGUZWSNBQI-UHFFFAOYSA-N 2 0 395.529 0.131 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(Cc2cccs2)CC1 ZINC000262789257 1197163224 /nfs/dbraw/zinc/16/32/24/1197163224.db2.gz NKPIDLNQAWSSAU-QGZVFWFLSA-N 2 0 376.574 0.831 20 30 GCEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)NCC1(N2CCOCC2)CCCCC1 ZINC000263104546 1197233311 /nfs/dbraw/zinc/23/33/11/1197233311.db2.gz OWVFVPRYBOACNT-SFHVURJKSA-N 2 0 380.581 0.432 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423078917 1199463557 /nfs/dbraw/zinc/46/35/57/1199463557.db2.gz WVSBEYINIZRXHW-NRFANRHFSA-N 2 0 383.496 0.803 20 30 GCEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000174350352 1200392624 /nfs/dbraw/zinc/39/26/24/1200392624.db2.gz LTRRXSDRFZGOBG-IBGZPJMESA-N 2 0 385.512 0.859 20 30 GCEDRP N#CCn1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000746385171 1201916734 /nfs/dbraw/zinc/91/67/34/1201916734.db2.gz VRRJBLURQIRPOJ-UHFFFAOYSA-N 2 0 396.455 0.069 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(C#N)nn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170383815 1205491920 /nfs/dbraw/zinc/49/19/20/1205491920.db2.gz MRBCPMHDIFQTBY-AHMROAQXSA-N 2 0 392.504 0.622 20 30 GCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994288 1205585174 /nfs/dbraw/zinc/58/51/74/1205585174.db2.gz RJKAPROABIEWJA-BRSBDYLESA-N 2 0 375.517 0.847 20 30 GCEDRP COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131500114 1205613577 /nfs/dbraw/zinc/61/35/77/1205613577.db2.gz KTSKAYDMRVZZRY-AFYVEPGGSA-N 2 0 377.529 0.962 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]2C#N)[C@H](O)OC(C)(C)C)C1 ZINC001186985495 1205952676 /nfs/dbraw/zinc/95/26/76/1205952676.db2.gz NKOVMNHJTLPEOR-IPWKSRHNSA-N 2 0 382.505 0.442 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573284035 946735749 /nfs/dbraw/zinc/73/57/49/946735749.db2.gz ZLCUFOGJZFGAQP-ONEGZZNKSA-N 2 0 380.456 0.113 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891520583 1185903836 /nfs/dbraw/zinc/90/38/36/1185903836.db2.gz NMAXRHZFKWTKNL-ZACQAIPSSA-N 2 0 377.489 0.603 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261739405 1193840396 /nfs/dbraw/zinc/84/03/96/1193840396.db2.gz KKDMETPAWNIQLR-XOBRGWDASA-N 2 0 390.532 0.746 20 30 GCEDRP C[NH+]=C(NCC[NH+]1CCCCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261774637 1193889481 /nfs/dbraw/zinc/88/94/81/1193889481.db2.gz ONJPUQNMJJDGOQ-IBGZPJMESA-N 2 0 378.521 0.748 20 30 GCEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261672994 1193922816 /nfs/dbraw/zinc/92/28/16/1193922816.db2.gz GWZXBNROFUYDDD-INIZCTEOSA-N 2 0 380.487 0.908 20 30 GCEDRP C[NH+]1CCN(c2ccc(CNC(=[NH2+])N3CCN(c4ncccn4)CC3)cn2)CC1 ZINC000262385933 1193946600 /nfs/dbraw/zinc/94/66/00/1193946600.db2.gz YJOZHSGKBJDCQB-UHFFFAOYSA-N 2 0 395.515 0.260 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420098983 1194177455 /nfs/dbraw/zinc/17/74/55/1194177455.db2.gz DRJUAYDTHKJIJD-UHFFFAOYSA-N 2 0 385.512 0.954 20 30 GCEDRP C=CCN(CCOC)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420205090 1194204687 /nfs/dbraw/zinc/20/46/87/1194204687.db2.gz NIJAUKLILNYMDA-UHFFFAOYSA-N 2 0 388.512 0.757 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423071641 1194724359 /nfs/dbraw/zinc/72/43/59/1194724359.db2.gz GAFSCNLDWQNRIS-GOSISDBHSA-N 2 0 387.484 0.025 20 30 GCEDRP C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000423075567 1194727776 /nfs/dbraw/zinc/72/77/76/1194727776.db2.gz OSWPBRQZMWPWFA-APWZRJJASA-N 2 0 385.512 0.892 20 30 GCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000729434505 1195388065 /nfs/dbraw/zinc/38/80/65/1195388065.db2.gz FDSYXBRQZQCPIZ-UHFFFAOYSA-N 2 0 395.529 0.067 20 30 GCEDRP CN1CCN(C(=O)c2cc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)ccn2)CC1 ZINC000329291038 1196182758 /nfs/dbraw/zinc/18/27/58/1196182758.db2.gz QQRFXTUSDKLAFE-QGZVFWFLSA-N 2 0 384.484 0.961 20 30 GCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000330123980 1196254149 /nfs/dbraw/zinc/25/41/49/1196254149.db2.gz AYWAXBMFEZDCDG-MSOLQXFVSA-N 2 0 395.548 0.496 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262529445 1196474824 /nfs/dbraw/zinc/47/48/24/1196474824.db2.gz HRYZYRRCGHVHRX-MSOLQXFVSA-N 2 0 395.548 0.242 20 30 GCEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000451685702 1197009893 /nfs/dbraw/zinc/00/98/93/1197009893.db2.gz XZCHXTZKRDOGOI-CVEARBPZSA-N 2 0 385.472 0.335 20 30 GCEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000451990022 1197030128 /nfs/dbraw/zinc/03/01/28/1197030128.db2.gz QWXBSYUTHXRVDP-IBGZPJMESA-N 2 0 392.592 0.684 20 30 GCEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000262773744 1197161301 /nfs/dbraw/zinc/16/13/01/1197161301.db2.gz IPKVJISIJBYGLY-IBGZPJMESA-N 2 0 393.576 0.861 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000073775907 1199894221 /nfs/dbraw/zinc/89/42/21/1199894221.db2.gz UOUNKXADQXKUCK-WMZOPIPTSA-N 2 0 377.533 0.759 20 30 GCEDRP N#CCc1ccc(OC[C@H](O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000611244152 1201225834 /nfs/dbraw/zinc/22/58/34/1201225834.db2.gz FIXVOZMOLYFVEV-QUCCMNQESA-N 2 0 386.496 0.906 20 30 GCEDRP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[nH]1 ZINC001130212965 1205536686 /nfs/dbraw/zinc/53/66/86/1205536686.db2.gz NANYHCAOJSPPML-JONQDZQNSA-N 2 0 376.505 0.799 20 30 GCEDRP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001130213063 1205536958 /nfs/dbraw/zinc/53/69/58/1205536958.db2.gz RQRJEUUENVHHJY-WCVJEAGWSA-N 2 0 376.505 0.799 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573282765 946698035 /nfs/dbraw/zinc/69/80/35/946698035.db2.gz MCPWPLWCRYMUTR-AWEZNQCLSA-N 2 0 382.472 0.288 20 30 GCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000178576373 638612825 /nfs/dbraw/zinc/61/28/25/638612825.db2.gz SCTITRGQGXMTQQ-ZDUSSCGKSA-N 2 0 381.493 0.639 20 30 GCEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261666646 1192710420 /nfs/dbraw/zinc/71/04/20/1192710420.db2.gz BMRGZCGLACIKOE-MGPUTAFESA-N 2 0 392.548 0.992 20 30 GCEDRP CCc1nsc(N2CCN(C(NC[C@@H]3C[N@H+](C)CCN3C)=[NH+]C)CC2)n1 ZINC000261696900 1192895331 /nfs/dbraw/zinc/89/53/31/1192895331.db2.gz FSLNVLQHCFMHAL-CQSZACIVSA-N 2 0 380.566 0.044 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000139058775 1184230386 /nfs/dbraw/zinc/23/03/86/1184230386.db2.gz AYHOLINMHSQBQK-SFHVURJKSA-N 2 0 377.533 0.975 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891520571 1185904250 /nfs/dbraw/zinc/90/42/50/1185904250.db2.gz NMAXRHZFKWTKNL-BBWFWOEESA-N 2 0 377.489 0.603 20 30 GCEDRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000548442701 1186123566 /nfs/dbraw/zinc/12/35/66/1186123566.db2.gz NCXQWXFDWARCEQ-SFHVURJKSA-N 2 0 383.500 1.147 20 30 GCEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000124665429 1186800167 /nfs/dbraw/zinc/80/01/67/1186800167.db2.gz BQZQHAXKAODGKB-MRXNPFEDSA-N 2 0 389.504 0.610 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)NCC(C)CNC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC000294157192 1188029479 /nfs/dbraw/zinc/02/94/79/1188029479.db2.gz MVLHILCCHBAGLS-UHFFFAOYSA-N 2 0 386.540 0.545 20 30 GCEDRP C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000180452525 1189438620 /nfs/dbraw/zinc/43/86/20/1189438620.db2.gz GFSPKFRNKWJXLC-IBGZPJMESA-N 2 0 375.517 0.250 20 30 GCEDRP CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000378436596 1189506949 /nfs/dbraw/zinc/50/69/49/1189506949.db2.gz QJSCITBMBVAMBC-LWYYNNOASA-N 2 0 391.560 0.862 20 30 GCEDRP CC[NH+]=C(NCC[N@@H+]1CCC[C@@H](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261712483 1193756651 /nfs/dbraw/zinc/75/66/51/1193756651.db2.gz KDBPCKFFUOZKBL-MRXNPFEDSA-N 2 0 375.521 0.766 20 30 GCEDRP C[NH+]=C(NCC1([NH+](C)C)CCCCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261768098 1193885762 /nfs/dbraw/zinc/88/57/62/1193885762.db2.gz OYFIHOPMOQTHRG-UHFFFAOYSA-N 2 0 375.521 0.909 20 30 GCEDRP C[NH+]=C(NCc1ccc(N2CC[NH+](C)CC2)nc1)N1CCC(C(=O)OC)CC1 ZINC000262533800 1193950637 /nfs/dbraw/zinc/95/06/37/1193950637.db2.gz JBKUULWYYSUXET-UHFFFAOYSA-N 2 0 388.516 0.794 20 30 GCEDRP C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000423075570 1194727604 /nfs/dbraw/zinc/72/76/04/1194727604.db2.gz OSWPBRQZMWPWFA-VQIMIIECSA-N 2 0 385.512 0.892 20 30 GCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000330151234 1196256204 /nfs/dbraw/zinc/25/62/04/1196256204.db2.gz LHYDNIBUAMVZFB-IAGOWNOFSA-N 2 0 381.521 0.250 20 30 GCEDRP COC1CC[NH+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000262518559 1196458699 /nfs/dbraw/zinc/45/86/99/1196458699.db2.gz HOCDCRQGSXHQTR-UHFFFAOYSA-N 2 0 375.521 0.803 20 30 GCEDRP C(#CCN1CC[NH+](C[C@@H]2CCOC2)CC1)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429699175 1196693841 /nfs/dbraw/zinc/69/38/41/1196693841.db2.gz WZOWREFBKCGZOD-VXKWHMMOSA-N 2 0 390.572 0.298 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262590110 1196721753 /nfs/dbraw/zinc/72/17/53/1196721753.db2.gz UOUNKXADQXKUCK-FUHWJXTLSA-N 2 0 377.533 0.759 20 30 GCEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528417312 1196857729 /nfs/dbraw/zinc/85/77/29/1196857729.db2.gz YNHQFWLDWNERFV-UHFFFAOYSA-N 2 0 396.491 0.676 20 30 GCEDRP CC(C)(C)OC(=O)N1CCN2C(NCCC[NH+]3CCC(O)CC3)=[NH+]C[C@H]2C1 ZINC000305028441 1197040310 /nfs/dbraw/zinc/04/03/10/1197040310.db2.gz QBVQAVNQHCALCM-HNNXBMFYSA-N 2 0 381.521 0.714 20 30 GCEDRP CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262749586 1197152399 /nfs/dbraw/zinc/15/23/99/1197152399.db2.gz BKQLHZISCJHFGR-KRWDZBQOSA-N 2 0 395.548 0.386 20 30 GCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672355646 1199215660 /nfs/dbraw/zinc/21/56/60/1199215660.db2.gz JNJAREDOKXTRDL-QGZVFWFLSA-N 2 0 377.533 0.038 20 30 GCEDRP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000923327108 1200951918 /nfs/dbraw/zinc/95/19/18/1200951918.db2.gz ANKJMLHNIJWLCG-GGPKGHCWSA-N 2 0 386.496 0.878 20 30 GCEDRP C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)C1=O ZINC001109848004 1202134908 /nfs/dbraw/zinc/13/49/08/1202134908.db2.gz QYTLSBPNAAPUPO-VSZNYVQBSA-N 2 0 376.501 0.217 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncc(C#N)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001170383368 1205491873 /nfs/dbraw/zinc/49/18/73/1205491873.db2.gz HZCREYGLYTZONO-IQWQSGHPSA-N 2 0 392.504 0.622 20 30 GCEDRP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)n2)O1 ZINC001130782961 1205569932 /nfs/dbraw/zinc/56/99/32/1205569932.db2.gz HKBUMWQDLZXRQY-MWDXBVQZSA-N 2 0 388.516 0.984 20 30 GCEDRP C[NH+](C)CCCNC(=S)NN=C1c2ccccc2N(CC[NH+](C)C)C1=O ZINC000807971877 1205594830 /nfs/dbraw/zinc/59/48/30/1205594830.db2.gz DPDPUVPZBRTWHG-UHFFFAOYSA-N 2 0 376.530 0.715 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573284034 946734459 /nfs/dbraw/zinc/73/44/59/946734459.db2.gz ZLCUFOGJZFGAQP-ARJAWSKDSA-N 2 0 380.456 0.113 20 30 GCEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261618750 1192608301 /nfs/dbraw/zinc/60/83/01/1192608301.db2.gz BBLWGRXCYVROES-LJQANCHMSA-N 2 0 393.576 0.861 20 30 GCEDRP C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000178590173 1192622226 /nfs/dbraw/zinc/62/22/26/1192622226.db2.gz UOUPLQXDKFALGU-UHFFFAOYSA-N 2 0 389.544 0.641 20 30 GCEDRP N#CCC1(CNC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000418829831 1192659000 /nfs/dbraw/zinc/65/90/00/1192659000.db2.gz NTMGVERUTWUMTC-UHFFFAOYSA-N 2 0 383.496 0.906 20 30 GCEDRP CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261694350 1192892080 /nfs/dbraw/zinc/89/20/80/1192892080.db2.gz FLXIHSSLLKXMDJ-RHSMWYFYSA-N 2 0 385.578 0.696 20 30 GCEDRP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCN(c2nc(CC)ns2)CC1 ZINC000261739364 1185392662 /nfs/dbraw/zinc/39/26/62/1185392662.db2.gz KJTHXQXQGYDCRF-HNNXBMFYSA-N 2 0 394.593 0.434 20 30 GCEDRP CC(C)[NH2+]C1(CO)CCN(CC#CCN2CCC(CO)([NH2+]C(C)C)CC2)CC1 ZINC000582793461 1186678199 /nfs/dbraw/zinc/67/81/99/1186678199.db2.gz AMEFFICIDWFAJW-UHFFFAOYSA-N 2 0 394.604 0.640 20 30 GCEDRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001211603422 1186966190 /nfs/dbraw/zinc/96/61/90/1186966190.db2.gz AFVXBKMHDVDUDU-OQIJWPOYSA-N 2 0 383.496 0.551 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000582054444 1189548589 /nfs/dbraw/zinc/54/85/89/1189548589.db2.gz VXWQUZKBFJXFIY-UHFFFAOYSA-N 2 0 392.544 0.714 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261739403 1193839972 /nfs/dbraw/zinc/83/99/72/1193839972.db2.gz KKDMETPAWNIQLR-VBKZILBWSA-N 2 0 390.532 0.746 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCN(c2nc(CC)ns2)CC1 ZINC000261739366 1193840013 /nfs/dbraw/zinc/84/00/13/1193840013.db2.gz KJTHXQXQGYDCRF-OAHLLOKOSA-N 2 0 394.593 0.434 20 30 GCEDRP CC[NH+]1CCC(CCNC(=[NH+]C)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000261763315 1193880134 /nfs/dbraw/zinc/88/01/34/1193880134.db2.gz NFKHRNFWEYPDKY-HXUWFJFHSA-N 2 0 392.548 0.994 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000261768052 1193885302 /nfs/dbraw/zinc/88/53/02/1193885302.db2.gz GNNJBNFUDVLBOA-LSDHHAIUSA-N 2 0 378.487 0.766 20 30 GCEDRP [NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CCN(c2ncccn2)CC1 ZINC000262152843 1193940560 /nfs/dbraw/zinc/94/05/60/1193940560.db2.gz BBMMYUAYNOBHLT-LJQANCHMSA-N 2 0 395.511 0.680 20 30 GCEDRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1 ZINC000419867775 1194126944 /nfs/dbraw/zinc/12/69/44/1194126944.db2.gz BAOZBHWZCRYVNC-LPHOPBHVSA-N 2 0 385.512 0.953 20 30 GCEDRP C[C@@H]1CN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1 ZINC000423041137 1194721581 /nfs/dbraw/zinc/72/15/81/1194721581.db2.gz WEWZLGPDMJWOMQ-CALCHBBNSA-N 2 0 383.496 0.801 20 30 GCEDRP C=CC[NH+]1CCC(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000515001113 1194936561 /nfs/dbraw/zinc/93/65/61/1194936561.db2.gz FBOYADSNOPAZNV-UHFFFAOYSA-N 2 0 379.549 0.733 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000517904755 1195227687 /nfs/dbraw/zinc/22/76/87/1195227687.db2.gz ODGUAGUXBYSDBE-GOSISDBHSA-N 2 0 393.576 0.533 20 30 GCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000330123981 1196254417 /nfs/dbraw/zinc/25/44/17/1196254417.db2.gz AYWAXBMFEZDCDG-QZTJIDSGSA-N 2 0 395.548 0.496 20 30 GCEDRP C=CCN1CC[C@H]([NH+](C)CCOCC[N@@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281321465 1196289413 /nfs/dbraw/zinc/28/94/13/1196289413.db2.gz LEWHEVXQAZTOJB-ROUUACIJSA-N 2 0 378.517 0.440 20 30 GCEDRP O=S1(=O)CC[C@H](CNC(NC[C@@H]2C[NH+]3CCN2CC3)=[NH+]C2CCCCC2)C1 ZINC000262432792 1196383127 /nfs/dbraw/zinc/38/31/27/1196383127.db2.gz SSYVTDNYOCYQSR-SJLPKXTDSA-N 2 0 397.589 0.289 20 30 GCEDRP O=S1(=O)CC[C@H](CNC(NC[C@H]2C[NH+]3CCN2CC3)=[NH+]C2CCCCC2)C1 ZINC000262432790 1196383318 /nfs/dbraw/zinc/38/33/18/1196383318.db2.gz SSYVTDNYOCYQSR-AEFFLSMTSA-N 2 0 397.589 0.289 20 30 GCEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262463758 1196395999 /nfs/dbraw/zinc/39/59/99/1196395999.db2.gz XXQBZLFJJLPHST-JQHSSLGASA-N 2 0 379.549 0.908 20 30 GCEDRP CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000525882740 1196720826 /nfs/dbraw/zinc/72/08/26/1196720826.db2.gz BEVMIFDYZRFMLZ-UHFFFAOYSA-N 2 0 375.473 0.847 20 30 GCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000531357121 1197067374 /nfs/dbraw/zinc/06/73/74/1197067374.db2.gz LQQVZTXCWGGNGH-UHFFFAOYSA-N 2 0 395.529 0.444 20 30 GCEDRP C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000532268132 1197132393 /nfs/dbraw/zinc/13/23/93/1197132393.db2.gz MXZNSLZATUIUMV-OAHLLOKOSA-N 2 0 395.529 0.177 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672357069 1199215490 /nfs/dbraw/zinc/21/54/90/1199215490.db2.gz XAMSUQPEWDSDLB-LJQANCHMSA-N 2 0 391.560 0.382 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423078919 1199465281 /nfs/dbraw/zinc/46/52/81/1199465281.db2.gz WVSBEYINIZRXHW-OAQYLSRUSA-N 2 0 383.496 0.803 20 30 GCEDRP C#C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000804084141 1200491419 /nfs/dbraw/zinc/49/14/19/1200491419.db2.gz NVBYATCKANWVFC-MOPGFXCFSA-N 2 0 399.495 0.007 20 30 GCEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000923327297 1200951788 /nfs/dbraw/zinc/95/17/88/1200951788.db2.gz CMLCNABHIMLBAY-QRQLOZEOSA-N 2 0 386.496 0.878 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C#N)ncn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388000 1205491354 /nfs/dbraw/zinc/49/13/54/1205491354.db2.gz ISGOWQHGYWRZKX-AHMROAQXSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncncc2C#N)[C@H](O)OC(C)(C)C)C1 ZINC001170389083 1205491379 /nfs/dbraw/zinc/49/13/79/1205491379.db2.gz QDBGAAPKHVQQAD-GIVGJKMXSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncc(C#N)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170383367 1205491812 /nfs/dbraw/zinc/49/18/12/1205491812.db2.gz HZCREYGLYTZONO-FDPKGLCPSA-N 2 0 392.504 0.622 20 30 GCEDRP C#CCNc1nc(N2CC[NH+](CC)[C@H](C)C2)nc(N2CC[N@@H+](CC)[C@H](C)C2)n1 ZINC000804574072 1205518299 /nfs/dbraw/zinc/51/82/99/1205518299.db2.gz KAVWEZMPWZQYRN-IAGOWNOFSA-N 2 0 386.548 0.399 20 30 GCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131500332 1205613465 /nfs/dbraw/zinc/61/34/65/1205613465.db2.gz SDCJTKGSUHXJDQ-UIXUWTQFSA-N 2 0 392.544 0.615 20 30 GCEDRP C#CC(C)(C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001182639114 1205877824 /nfs/dbraw/zinc/87/78/24/1205877824.db2.gz YDQLUDMSILLAAX-FDPKGLCPSA-N 2 0 383.533 0.941 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573282776 946697927 /nfs/dbraw/zinc/69/79/27/946697927.db2.gz MCPWPLWCRYMUTR-CQSZACIVSA-N 2 0 382.472 0.288 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573282823 946699424 /nfs/dbraw/zinc/69/94/24/946699424.db2.gz MPZIAQCZMAPUEI-HNNXBMFYSA-N 2 0 381.484 0.806 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573283309 946713313 /nfs/dbraw/zinc/71/33/13/946713313.db2.gz RJXXTUZHJGDMIP-HNNXBMFYSA-N 2 0 381.484 0.806 20 30 GCEDRP COCCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000409501113 530229701 /nfs/dbraw/zinc/22/97/01/530229701.db2.gz MAFWEGTZUCMHIG-UHFFFAOYSA-N 2 0 375.539 0.051 20 30 GCEDRP C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262016529 638699318 /nfs/dbraw/zinc/69/93/18/638699318.db2.gz XVOBGROGVLJWHW-UKRRQHHQSA-N 2 0 389.591 0.013 20 30 GCEDRP C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)NC1CC[NH+](C2CC2)CC1 ZINC000262790843 639138402 /nfs/dbraw/zinc/13/84/02/639138402.db2.gz NVLLJFHQQKJWRI-UHFFFAOYSA-N 2 0 389.591 0.157 20 30 GCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nn(C)cc1I ZINC000263074461 639144318 /nfs/dbraw/zinc/14/43/18/639144318.db2.gz HAYOGEJXQYZAGF-JTQLQIEISA-N 2 0 390.273 0.913 20 30 GCEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261618748 1192608574 /nfs/dbraw/zinc/60/85/74/1192608574.db2.gz BBLWGRXCYVROES-IBGZPJMESA-N 2 0 393.576 0.861 20 30 GCEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261665556 1192707194 /nfs/dbraw/zinc/70/71/94/1192707194.db2.gz BIPRZNQIJLKVJI-IBGZPJMESA-N 2 0 378.521 0.604 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)CC1 ZINC000261690478 1192881218 /nfs/dbraw/zinc/88/12/18/1192881218.db2.gz RUHHVHNYYBVMTN-UHFFFAOYSA-N 2 0 385.578 0.864 20 30 GCEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+](C(C)C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155836213 1185342246 /nfs/dbraw/zinc/34/22/46/1185342246.db2.gz ZGCCGPVAPFIXRP-MRXNPFEDSA-N 2 0 375.521 0.765 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(C)(C)C#N)[C@@H](O)OC(C)(C)C)C1 ZINC001143405132 1185977185 /nfs/dbraw/zinc/97/71/85/1185977185.db2.gz UFJKEZPBBHSIRM-BWJWTDLKSA-N 2 0 384.521 0.832 20 30 GCEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261974085 1186104905 /nfs/dbraw/zinc/10/49/05/1186104905.db2.gz NIQHLTSCIBGXPS-MSOLQXFVSA-N 2 0 390.576 0.675 20 30 GCEDRP C[NH+]1CCN(CCNc2ccc(C#N)c(NCCN3CC[NH+](C)CC3)n2)CC1 ZINC000278370788 1186917021 /nfs/dbraw/zinc/91/70/21/1186917021.db2.gz KXVIQSMAUHRQCF-UHFFFAOYSA-N 2 0 386.548 0.272 20 30 GCEDRP CC[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261712481 1193756665 /nfs/dbraw/zinc/75/66/65/1193756665.db2.gz KDBPCKFFUOZKBL-INIZCTEOSA-N 2 0 375.521 0.766 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261768049 1193885698 /nfs/dbraw/zinc/88/56/98/1193885698.db2.gz GNNJBNFUDVLBOA-HUUCEWRRSA-N 2 0 378.487 0.766 20 30 GCEDRP C[NH+]=C(NCC[NH+]1CCCCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261774638 1193889698 /nfs/dbraw/zinc/88/96/98/1193889698.db2.gz ONJPUQNMJJDGOQ-LJQANCHMSA-N 2 0 378.521 0.748 20 30 GCEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261779406 1193894624 /nfs/dbraw/zinc/89/46/24/1193894624.db2.gz PBZITNKFJZRTRW-ORAYPTAESA-N 2 0 376.505 0.356 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261672998 1193922671 /nfs/dbraw/zinc/92/26/71/1193922671.db2.gz GWZXBNROFUYDDD-MRXNPFEDSA-N 2 0 380.487 0.908 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420221346 1194209577 /nfs/dbraw/zinc/20/95/77/1194209577.db2.gz ZDOYXRGHNWSOSB-XUVXKRRUSA-N 2 0 397.523 0.953 20 30 GCEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261858053 1194452455 /nfs/dbraw/zinc/45/24/55/1194452455.db2.gz YAEKCAWLFRUIJQ-UZLBHIALSA-N 2 0 380.581 0.954 20 30 GCEDRP C[NH2+]CC1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000423073306 1194724354 /nfs/dbraw/zinc/72/43/54/1194724354.db2.gz INOFEPNSWIZVCR-UHFFFAOYSA-N 2 0 385.512 0.906 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423077312 1194725323 /nfs/dbraw/zinc/72/53/23/1194725323.db2.gz SXNLFTPLDFRMND-MOPGFXCFSA-N 2 0 383.496 0.659 20 30 GCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000550381034 1195648688 /nfs/dbraw/zinc/64/86/88/1195648688.db2.gz FNHMEGQDUDFFKD-GOSISDBHSA-N 2 0 379.549 0.141 20 30 GCEDRP C[C@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000330240585 1196261039 /nfs/dbraw/zinc/26/10/39/1196261039.db2.gz FIABTXNGYLOBFG-MSOLQXFVSA-N 2 0 381.565 0.969 20 30 GCEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262463754 1196396207 /nfs/dbraw/zinc/39/62/07/1196396207.db2.gz XXQBZLFJJLPHST-CGTJXYLNSA-N 2 0 379.549 0.908 20 30 GCEDRP C[NH+]=C(NC[C@H]1C[N@H+](CC(C)C)CCO1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262511003 1196448669 /nfs/dbraw/zinc/44/86/69/1196448669.db2.gz BHTMWBGPUBKNPE-KRWDZBQOSA-N 2 0 391.516 0.970 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262529449 1196474759 /nfs/dbraw/zinc/47/47/59/1196474759.db2.gz HRYZYRRCGHVHRX-QZTJIDSGSA-N 2 0 395.548 0.242 20 30 GCEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129004090 1200408832 /nfs/dbraw/zinc/40/88/32/1200408832.db2.gz LQBFFWADAFLIMJ-MLHJIOFPSA-N 2 0 376.505 0.553 20 30 GCEDRP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000923327145 1200951828 /nfs/dbraw/zinc/95/18/28/1200951828.db2.gz ANKJMLHNIJWLCG-QWFCFKBJSA-N 2 0 386.496 0.878 20 30 GCEDRP C#CCNc1nc(N2CC[NH+](C(C)C)CC2)nc(N2CC[NH+](C(C)C)CC2)n1 ZINC000804342004 1201957816 /nfs/dbraw/zinc/95/78/16/1201957816.db2.gz DKDHXYVBTNIHIC-UHFFFAOYSA-N 2 0 386.548 0.399 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncncc2C#N)[C@H](O)OC(C)(C)C)C1 ZINC001170389085 1205491324 /nfs/dbraw/zinc/49/13/24/1205491324.db2.gz QDBGAAPKHVQQAD-LZDZAVHKSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncc(C#N)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001170383369 1205491777 /nfs/dbraw/zinc/49/17/77/1205491777.db2.gz HZCREYGLYTZONO-YXISZKLHSA-N 2 0 392.504 0.622 20 30 GCEDRP C#CCNc1nc(N2CC[NH+](CC)C[C@H]2C)nc(N2CC[N@@H+](CC)C[C@H]2C)n1 ZINC000804793951 1205525892 /nfs/dbraw/zinc/52/58/92/1205525892.db2.gz ADXTYPIQNLGVKO-IAGOWNOFSA-N 2 0 386.548 0.399 20 30 GCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131499962 1205613517 /nfs/dbraw/zinc/61/35/17/1205613517.db2.gz BMYQFAPNVNZEFG-UIXUWTQFSA-N 2 0 390.528 0.062 20 30 GCEDRP C#CC(C)(C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001182639116 1205877613 /nfs/dbraw/zinc/87/76/13/1205877613.db2.gz YDQLUDMSILLAAX-YXISZKLHSA-N 2 0 383.533 0.941 20 30 GCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000579582595 1185200620 /nfs/dbraw/zinc/20/06/20/1185200620.db2.gz HFUQBCVUEPHUJB-MSOLQXFVSA-N 2 0 375.492 0.864 20 30 GCEDRP C[NH+]=C(NC[C@H](C)[NH+]1CCC(C)CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261705365 1185378011 /nfs/dbraw/zinc/37/80/11/1185378011.db2.gz GPXJIBHYNVGJLU-YWZLYKJASA-N 2 0 392.548 0.992 20 30 GCEDRP C[NH+]=C(NC[C@H](C)[NH+]1CCC(C)CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261705361 1185378237 /nfs/dbraw/zinc/37/82/37/1185378237.db2.gz GPXJIBHYNVGJLU-MGPUTAFESA-N 2 0 392.548 0.992 20 30 GCEDRP CN(C)C(=O)CN/C(=[NH+]/CC(=O)N(C)C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000262266853 1186813285 /nfs/dbraw/zinc/81/32/85/1186813285.db2.gz GBMLRRWICBWVJP-NVXWUHKLSA-N 2 0 392.548 0.057 20 30 GCEDRP CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000262341329 1186881435 /nfs/dbraw/zinc/88/14/35/1186881435.db2.gz XEBCITGDMHHHKG-QGZVFWFLSA-N 2 0 392.548 0.201 20 30 GCEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261733934 1193828715 /nfs/dbraw/zinc/82/87/15/1193828715.db2.gz JUTZDVLYLOSRLA-SFHVURJKSA-N 2 0 378.521 0.746 20 30 GCEDRP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261778297 1193890806 /nfs/dbraw/zinc/89/08/06/1193890806.db2.gz OYNWBTGQSQLZFP-LJQANCHMSA-N 2 0 378.521 0.746 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000729377357 1193916270 /nfs/dbraw/zinc/91/62/70/1193916270.db2.gz ARPWLAKBUSWDAK-UHFFFAOYSA-N 2 0 384.528 0.840 20 30 GCEDRP C[NH+]=C(NCc1ccc(N2CC[NH+](C)CC2)nc1)N1CCO[C@H](COC)C1 ZINC000262026777 1193936372 /nfs/dbraw/zinc/93/63/72/1193936372.db2.gz WSTGJNPRQQTQNW-KRWDZBQOSA-N 2 0 376.505 0.256 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423080726 1194725897 /nfs/dbraw/zinc/72/58/97/1194725897.db2.gz ZZHHBHSVWRJELT-RTBURBONSA-N 2 0 383.496 0.516 20 30 GCEDRP C[NH+]=C(NCc1nnc(C)n1C)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000262001829 1195352573 /nfs/dbraw/zinc/35/25/73/1195352573.db2.gz UNGFDEUTLKAJPX-UHFFFAOYSA-N 2 0 376.553 0.689 20 30 GCEDRP O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000329405444 1196192774 /nfs/dbraw/zinc/19/27/74/1196192774.db2.gz ZEJRENCDBUQFGZ-UHFFFAOYSA-N 2 0 380.533 0.729 20 30 GCEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330213976 1196259720 /nfs/dbraw/zinc/25/97/20/1196259720.db2.gz FUFOMGUODSNICV-QRQLOZEOSA-N 2 0 380.533 0.932 20 30 GCEDRP C[C@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000330240586 1196260944 /nfs/dbraw/zinc/26/09/44/1196260944.db2.gz FIABTXNGYLOBFG-QZTJIDSGSA-N 2 0 381.565 0.969 20 30 GCEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000451990035 1197030314 /nfs/dbraw/zinc/03/03/14/1197030314.db2.gz QWXBSYUTHXRVDP-LJQANCHMSA-N 2 0 392.592 0.684 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000672357008 1199215689 /nfs/dbraw/zinc/21/56/89/1199215689.db2.gz JMCOWXJHYFYHKU-CALCHBBNSA-N 2 0 380.533 0.759 20 30 GCEDRP C#C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000804084143 1200491109 /nfs/dbraw/zinc/49/11/09/1200491109.db2.gz NVBYATCKANWVFC-RBUKOAKNSA-N 2 0 399.495 0.007 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncncc2C#N)[C@@H](O)OC(C)(C)C)C1 ZINC001170389079 1205491362 /nfs/dbraw/zinc/49/13/62/1205491362.db2.gz QDBGAAPKHVQQAD-ADBDHWBDSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C#N)cnn2)[C@H](O)OC(C)(C)C)C1 ZINC001170398275 1205491553 /nfs/dbraw/zinc/49/15/53/1205491553.db2.gz WVZRKYITZGGMLX-FTAMUGHTSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(C#N)nn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170383812 1205491852 /nfs/dbraw/zinc/49/18/52/1205491852.db2.gz MRBCPMHDIFQTBY-ADBDHWBDSA-N 2 0 392.504 0.622 20 30 GCEDRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001130994098 1205585165 /nfs/dbraw/zinc/58/51/65/1205585165.db2.gz GARFRLDAONJJEA-WJFTUGDTSA-N 2 0 387.528 0.684 20 30 GCEDRP CC[NH+]=C(NCCC1CC[NH+](C)CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261639912 1192627305 /nfs/dbraw/zinc/62/73/05/1192627305.db2.gz DGZSYVSUTMGFDI-UHFFFAOYSA-N 2 0 375.521 0.766 20 30 GCEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261665559 1192707551 /nfs/dbraw/zinc/70/75/51/1192707551.db2.gz BIPRZNQIJLKVJI-LJQANCHMSA-N 2 0 378.521 0.604 20 30 GCEDRP CC[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261698158 1192895571 /nfs/dbraw/zinc/89/55/71/1192895571.db2.gz FVDOMUCBGOWOBH-YWZLYKJASA-N 2 0 392.548 0.994 20 30 GCEDRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]1C2 ZINC001167229023 1184648641 /nfs/dbraw/zinc/64/86/41/1184648641.db2.gz NMUHFRRGBYLYAA-FBRVAALWSA-N 2 0 381.480 0.824 20 30 GCEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261656318 1185338174 /nfs/dbraw/zinc/33/81/74/1185338174.db2.gz FMBGWAUDSZYLAN-CVEARBPZSA-N 2 0 375.521 0.907 20 30 GCEDRP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000261719341 1185384841 /nfs/dbraw/zinc/38/48/41/1185384841.db2.gz WLNUYKUQCYROTN-KRWDZBQOSA-N 2 0 385.578 0.794 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(C)(C)C#N)[C@@H](O)OC(C)(C)C)C1 ZINC001143405137 1185977293 /nfs/dbraw/zinc/97/72/93/1185977293.db2.gz UFJKEZPBBHSIRM-JGFGOLAASA-N 2 0 384.521 0.832 20 30 GCEDRP N#Cc1ncccc1S(=O)(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000276946379 1186169719 /nfs/dbraw/zinc/16/97/19/1186169719.db2.gz BJHRKQLWAWVBOD-UHFFFAOYSA-N 2 0 386.481 0.839 20 30 GCEDRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610976837 1186268921 /nfs/dbraw/zinc/26/89/21/1186268921.db2.gz XOFFZFRVOFGKKV-LJQANCHMSA-N 2 0 388.512 0.882 20 30 GCEDRP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000261734202 1193830314 /nfs/dbraw/zinc/83/03/14/1193830314.db2.gz YMBJKNSSENVZGJ-QGZVFWFLSA-N 2 0 385.578 0.651 20 30 GCEDRP C[NH+]=C(NCC[NH+]1CCC(C)CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261764549 1193880656 /nfs/dbraw/zinc/88/06/56/1193880656.db2.gz NJDHBDKNUNGYRA-LJQANCHMSA-N 2 0 378.521 0.604 20 30 GCEDRP C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CCO[C@@H](COC)C1 ZINC000261922870 1193931703 /nfs/dbraw/zinc/93/17/03/1193931703.db2.gz KRFIJHITSHUDLH-QGZVFWFLSA-N 2 0 376.505 0.256 20 30 GCEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000261789212 1193935869 /nfs/dbraw/zinc/93/58/69/1193935869.db2.gz QFOWLWSDENFRPN-AUUYWEPGSA-N 2 0 378.521 0.604 20 30 GCEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000261789223 1193935964 /nfs/dbraw/zinc/93/59/64/1193935964.db2.gz QFOWLWSDENFRPN-KUHUBIRLSA-N 2 0 378.521 0.604 20 30 GCEDRP [NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CCN(c2ncccn2)CC1 ZINC000262152841 1193940441 /nfs/dbraw/zinc/94/04/41/1193940441.db2.gz BBMMYUAYNOBHLT-IBGZPJMESA-N 2 0 395.511 0.680 20 30 GCEDRP CC[NH+]=C(NCC[NH+]1CCCCCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261855484 1194435193 /nfs/dbraw/zinc/43/51/93/1194435193.db2.gz XUQSAEVWWPKHHY-UHFFFAOYSA-N 2 0 375.521 0.910 20 30 GCEDRP Cc1nnc(CNC(NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)=[NH+]C2CC2)n1C ZINC000261930802 1194977378 /nfs/dbraw/zinc/97/73/78/1194977378.db2.gz BHNLHOPOESLZIK-SJORKVTESA-N 2 0 375.521 0.699 20 30 GCEDRP C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262005977 1195386526 /nfs/dbraw/zinc/38/65/26/1195386526.db2.gz VPSUHNRIGOLMKA-SZVBFZGTSA-N 2 0 381.590 0.842 20 30 GCEDRP C#CC[NH+]1CCC(N=c2cc(NC3CC[NH+](CC#C)CC3)n3[nH]cnc3n2)CC1 ZINC000895807760 1196113545 /nfs/dbraw/zinc/11/35/45/1196113545.db2.gz ASSHCVFMMXIHSE-UHFFFAOYSA-N 2 0 392.511 0.565 20 30 GCEDRP C(#CCN1CC[NH+](C[C@H]2CCOC2)CC1)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429699173 1196693683 /nfs/dbraw/zinc/69/36/83/1196693683.db2.gz WZOWREFBKCGZOD-FGZHOGPDSA-N 2 0 390.572 0.298 20 30 GCEDRP CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262749588 1197152386 /nfs/dbraw/zinc/15/23/86/1197152386.db2.gz BKQLHZISCJHFGR-QGZVFWFLSA-N 2 0 395.548 0.386 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)NCC1(N2CCOCC2)CCCCC1 ZINC000263104545 1197233422 /nfs/dbraw/zinc/23/34/22/1197233422.db2.gz OWVFVPRYBOACNT-GOSISDBHSA-N 2 0 380.581 0.432 20 30 GCEDRP CN1CCC[N@H+](CCCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000133951937 1197384565 /nfs/dbraw/zinc/38/45/65/1197384565.db2.gz YVVDCINUDZADGR-QGZVFWFLSA-N 2 0 394.564 0.895 20 30 GCEDRP C=CCNC(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271952200 1197559548 /nfs/dbraw/zinc/55/95/48/1197559548.db2.gz CCULYZRQVLDECO-OAHLLOKOSA-N 2 0 382.530 0.869 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672357087 1199215469 /nfs/dbraw/zinc/21/54/69/1199215469.db2.gz YBSNXFOHJQVRPY-SFHVURJKSA-N 2 0 391.560 0.428 20 30 GCEDRP C#C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000804084142 1200491598 /nfs/dbraw/zinc/49/15/98/1200491598.db2.gz NVBYATCKANWVFC-OALUTQOASA-N 2 0 399.495 0.007 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nnccc2C#N)[C@@H](O)OC(C)(C)C)C1 ZINC001170388500 1205491326 /nfs/dbraw/zinc/49/13/26/1205491326.db2.gz NFMJJEBFSAVQIY-AHMROAQXSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C#N)cnn2)[C@H](O)OC(C)(C)C)C1 ZINC001170398277 1205491589 /nfs/dbraw/zinc/49/15/89/1205491589.db2.gz WVZRKYITZGGMLX-OLEVXBPZSA-N 2 0 392.504 0.622 20 30 GCEDRP C#CCNc1nc(N2CC[NH+](CC)C[C@@H]2C)nc(N2CC[N@@H+](CC)C[C@@H]2C)n1 ZINC000804793952 1205525937 /nfs/dbraw/zinc/52/59/37/1205525937.db2.gz ADXTYPIQNLGVKO-IRXDYDNUSA-N 2 0 386.548 0.399 20 30 GCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1n1ccnn1 ZINC001130014490 1205528494 /nfs/dbraw/zinc/52/84/94/1205528494.db2.gz OOIGDAUSQRKCMX-MHTWAQMVSA-N 2 0 392.507 0.988 20 30 GCEDRP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)n2)O1 ZINC001130783459 1205570250 /nfs/dbraw/zinc/57/02/50/1205570250.db2.gz YRYGRUGNLHWICZ-MWDXBVQZSA-N 2 0 388.516 0.984 20 30 GCEDRP CN(C(=O)NCC(=O)NCC#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000511900486 1192194651 /nfs/dbraw/zinc/19/46/51/1192194651.db2.gz HEQYPFISTDNJCU-IRXDYDNUSA-N 2 0 378.521 0.605 20 30 GCEDRP CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000261627237 1192613270 /nfs/dbraw/zinc/61/32/70/1192613270.db2.gz IRHYQDUVBCUJCJ-UHFFFAOYSA-N 2 0 385.578 0.840 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)CC1 ZINC001021886615 1185661307 /nfs/dbraw/zinc/66/13/07/1185661307.db2.gz IRURTKBFZWIZMC-GSEOLPGOSA-N 2 0 386.540 0.731 20 30 GCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)NC2CC[NH+](CCC#C)CC2)CC1 ZINC000933354975 1185815930 /nfs/dbraw/zinc/81/59/30/1185815930.db2.gz MDCPVVOGHSHYRY-OYRHEFFESA-N 2 0 398.551 0.830 20 30 GCEDRP CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000262242686 1186789502 /nfs/dbraw/zinc/78/95/02/1186789502.db2.gz AHLWWWASMNIWBI-JKSUJKDBSA-N 2 0 380.537 0.057 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000261722201 1193785607 /nfs/dbraw/zinc/78/56/07/1193785607.db2.gz KWKNQEGDATTYKW-MJGOQNOKSA-N 2 0 379.549 0.612 20 30 GCEDRP C[NH+]=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@H]1CCC(=O)N(C)C1 ZINC000262821507 1193956552 /nfs/dbraw/zinc/95/65/52/1193956552.db2.gz XBCDZIQCNCQXBX-SFHVURJKSA-N 2 0 387.528 0.929 20 30 GCEDRP CCc1nsc(N2CCN(C(NCC3([NH+](C)C)CCOCC3)=[NH+]C)CC2)n1 ZINC000261801754 1193986453 /nfs/dbraw/zinc/98/64/53/1193986453.db2.gz RNQFTTWXZIJJDX-UHFFFAOYSA-N 2 0 395.577 0.909 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419980821 1194151788 /nfs/dbraw/zinc/15/17/88/1194151788.db2.gz RKMHYEWZYUMDKM-SFHVURJKSA-N 2 0 385.512 0.954 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420161601 1194191238 /nfs/dbraw/zinc/19/12/38/1194191238.db2.gz GVPOLFKXDSOUEU-UHFFFAOYSA-N 2 0 383.496 0.874 20 30 GCEDRP CC[NH+]=C(NCC[NH+]1CCC(C)CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261850270 1194370823 /nfs/dbraw/zinc/37/08/23/1194370823.db2.gz XGFLAQBPVCMJFN-UHFFFAOYSA-N 2 0 375.521 0.766 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423080724 1194725786 /nfs/dbraw/zinc/72/57/86/1194725786.db2.gz ZZHHBHSVWRJELT-OALUTQOASA-N 2 0 383.496 0.516 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423077315 1194727666 /nfs/dbraw/zinc/72/76/66/1194727666.db2.gz SXNLFTPLDFRMND-RTBURBONSA-N 2 0 383.496 0.659 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423077313 1194727840 /nfs/dbraw/zinc/72/78/40/1194727840.db2.gz SXNLFTPLDFRMND-OALUTQOASA-N 2 0 383.496 0.659 20 30 GCEDRP CS(=O)(=O)N1CC(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262433015 1196384334 /nfs/dbraw/zinc/38/43/34/1196384334.db2.gz KMYFOPAHXJMWIG-UHFFFAOYSA-N 2 0 379.530 0.447 20 30 GCEDRP C=CCNS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000531357348 1197069235 /nfs/dbraw/zinc/06/92/35/1197069235.db2.gz ZYUKWSXIOIXWFR-UHFFFAOYSA-N 2 0 382.530 0.716 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000139058891 1197394132 /nfs/dbraw/zinc/39/41/32/1197394132.db2.gz AYHOLINMHSQBQK-GOSISDBHSA-N 2 0 377.533 0.975 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccnc(C#N)n2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388640 1205491374 /nfs/dbraw/zinc/49/13/74/1205491374.db2.gz OTQMOVIXTZGOSE-LYHUEXMXSA-N 2 0 392.504 0.622 20 30 GCEDRP C#CCNc1nc(N2CC[NH+](CC)[C@@H](C)C2)nc(N2CC[N@@H+](CC)[C@@H](C)C2)n1 ZINC000804574075 1205518282 /nfs/dbraw/zinc/51/82/82/1205518282.db2.gz KAVWEZMPWZQYRN-IRXDYDNUSA-N 2 0 386.548 0.399 20 30 GCEDRP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[nH]1 ZINC001130210160 1205536590 /nfs/dbraw/zinc/53/65/90/1205536590.db2.gz YEYHPTJDPOWKNU-NXOAAHMSSA-N 2 0 388.516 0.637 20 30 GCEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261656322 1192647639 /nfs/dbraw/zinc/64/76/39/1192647639.db2.gz FMBGWAUDSZYLAN-HOTGVXAUSA-N 2 0 375.521 0.907 20 30 GCEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261666652 1192710465 /nfs/dbraw/zinc/71/04/65/1192710465.db2.gz BMRGZCGLACIKOE-YWZLYKJASA-N 2 0 392.548 0.992 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(C)(C)C#N)[C@H](O)OC(C)(C)C)C1 ZINC001143405143 1185975108 /nfs/dbraw/zinc/97/51/08/1185975108.db2.gz UFJKEZPBBHSIRM-NBFUAULTSA-N 2 0 384.521 0.832 20 30 GCEDRP CN(C)C(=O)CN/C(=[NH+]/CC(=O)N(C)C)N1CC[NH+](C2CCCCC2)CC1 ZINC000262354061 1186940789 /nfs/dbraw/zinc/94/07/89/1186940789.db2.gz ZKHWGZNHFRQFRL-UHFFFAOYSA-N 2 0 380.537 0.059 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)CC1 ZINC000972601133 1187020264 /nfs/dbraw/zinc/02/02/64/1187020264.db2.gz IDFRDUALHWAIJG-VBSBHUPXSA-N 2 0 386.540 0.731 20 30 GCEDRP C#CCNS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000728611372 1187446352 /nfs/dbraw/zinc/44/63/52/1187446352.db2.gz BVGDZRRDGGUTMW-UHFFFAOYSA-N 2 0 380.514 0.164 20 30 GCEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261733933 1193828609 /nfs/dbraw/zinc/82/86/09/1193828609.db2.gz JUTZDVLYLOSRLA-GOSISDBHSA-N 2 0 378.521 0.746 20 30 GCEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261779398 1193894294 /nfs/dbraw/zinc/89/42/94/1193894294.db2.gz PBZITNKFJZRTRW-DJJJIMSYSA-N 2 0 376.505 0.356 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420221344 1194209446 /nfs/dbraw/zinc/20/94/46/1194209446.db2.gz ZDOYXRGHNWSOSB-VAMGGRTRSA-N 2 0 397.523 0.953 20 30 GCEDRP C[NH+]=C(NCCN1C(=O)CNC1=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000261858490 1194454608 /nfs/dbraw/zinc/45/46/08/1194454608.db2.gz ZAGSYOJAOJBQEJ-UHFFFAOYSA-N 2 0 392.548 0.946 20 30 GCEDRP CC[NH+]=C(NC[C@H]1CCCC[N@@H+]1CC)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261871007 1194650372 /nfs/dbraw/zinc/65/03/72/1194650372.db2.gz ZQKGBXZCIHUQCQ-MRXNPFEDSA-N 2 0 375.521 0.909 20 30 GCEDRP CC1(C)CN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423031418 1194719807 /nfs/dbraw/zinc/71/98/07/1194719807.db2.gz DGOOEGJTGOLGQN-UHFFFAOYSA-N 2 0 383.496 0.803 20 30 GCEDRP N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423041202 1194721399 /nfs/dbraw/zinc/72/13/99/1194721399.db2.gz WKXXBDGFIPBWKP-KDURUIRLSA-N 2 0 381.480 0.270 20 30 GCEDRP C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000423075569 1194727679 /nfs/dbraw/zinc/72/76/79/1194727679.db2.gz OSWPBRQZMWPWFA-QFBILLFUSA-N 2 0 385.512 0.892 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423076076 1194727758 /nfs/dbraw/zinc/72/77/58/1194727758.db2.gz QCVHVCHEMFOUQY-RTBURBONSA-N 2 0 383.496 0.516 20 30 GCEDRP C[NH+]=C(NCC(=O)N1CCN(c2ccccc2)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262007122 1195390240 /nfs/dbraw/zinc/39/02/40/1195390240.db2.gz VWBAWMZERYBRDU-YLJYHZDGSA-N 2 0 398.555 0.983 20 30 GCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000550381035 1195648794 /nfs/dbraw/zinc/64/87/94/1195648794.db2.gz FNHMEGQDUDFFKD-SFHVURJKSA-N 2 0 379.549 0.141 20 30 GCEDRP CC(C)[NH+]1CCC(N2CCN(C(NCC(=O)N(C)C)=[NH+]C3CC3)CC2)CC1 ZINC000262306657 1196210725 /nfs/dbraw/zinc/21/07/25/1196210725.db2.gz OUQFLIWLOZOSRW-UHFFFAOYSA-N 2 0 378.565 0.673 20 30 GCEDRP C=CCN1CC[C@@H]([NH+](C)CCOCC[N@@H+](C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000281321464 1196289593 /nfs/dbraw/zinc/28/95/93/1196289593.db2.gz LEWHEVXQAZTOJB-QZTJIDSGSA-N 2 0 378.517 0.440 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000557770133 1196403537 /nfs/dbraw/zinc/40/35/37/1196403537.db2.gz VJKZRWSIXXMPMD-UHFFFAOYSA-N 2 0 380.533 0.712 20 30 GCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000525123719 1196651401 /nfs/dbraw/zinc/65/14/01/1196651401.db2.gz NGFYTFFZUCUKKS-OAHLLOKOSA-N 2 0 395.548 0.803 20 30 GCEDRP C[NH+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000262845905 1197170208 /nfs/dbraw/zinc/17/02/08/1197170208.db2.gz YIXONEPFBZOMDS-QGZVFWFLSA-N 2 0 398.511 0.160 20 30 GCEDRP C[NH+](C)C1CCN(CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000133964786 1197384611 /nfs/dbraw/zinc/38/46/11/1197384611.db2.gz DOTYJUBMFUYXAP-KRWDZBQOSA-N 2 0 394.564 0.893 20 30 GCEDRP C#C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000804084144 1200491140 /nfs/dbraw/zinc/49/11/40/1200491140.db2.gz NVBYATCKANWVFC-RTBURBONSA-N 2 0 399.495 0.007 20 30 GCEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000923327299 1200951631 /nfs/dbraw/zinc/95/16/31/1200951631.db2.gz CMLCNABHIMLBAY-UHOSZYNNSA-N 2 0 386.496 0.878 20 30 GCEDRP C#CCNC(=O)C1CC[NH+](CCCC[NH+]2CCC(C(=O)NCC#C)CC2)CC1 ZINC000740876659 1201751711 /nfs/dbraw/zinc/75/17/11/1201751711.db2.gz XJHBZHZBAPZNGO-UHFFFAOYSA-N 2 0 386.540 0.689 20 30 GCEDRP C#CCNc1nc(N2CC[NH+](CCC)CC2)nc(N2CC[NH+](CCC)CC2)n1 ZINC000804324466 1201947926 /nfs/dbraw/zinc/94/79/26/1201947926.db2.gz SRRIBPLPFUGVTH-UHFFFAOYSA-N 2 0 386.548 0.403 20 30 GCEDRP C#CCNc1nc(N2C[C@@H](C)[NH+](C)C[C@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000804588735 1205518539 /nfs/dbraw/zinc/51/85/39/1205518539.db2.gz PRIDGQFKAPRVKL-WNKDZCFJSA-N 2 0 386.548 0.396 20 30 GCEDRP C#CCNC(=O)C1CC[NH+](C/C=C/C[NH+]2CCC(C(=O)NCC#C)CC2)CC1 ZINC000747816700 1205668388 /nfs/dbraw/zinc/66/83/88/1205668388.db2.gz QXRZXUOLUXIMDB-AATRIKPKSA-N 2 0 384.524 0.465 20 30 GCEDRP C#CCNC(=O)C1CC[NH+](C/C=C\C[NH+]2CCC(C(=O)NCC#C)CC2)CC1 ZINC000747816701 1205668503 /nfs/dbraw/zinc/66/85/03/1205668503.db2.gz QXRZXUOLUXIMDB-WAYWQWQTSA-N 2 0 384.524 0.465 20 30 GCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1cc(Br)cn1C ZINC000261657837 530128770 /nfs/dbraw/zinc/12/87/70/530128770.db2.gz ASWSZSGCPJQEPY-HNNXBMFYSA-N 2 0 383.338 0.795 20 30 GCEDRP CN(C(=O)NCC(=O)NCC#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000511900485 1192194758 /nfs/dbraw/zinc/19/47/58/1192194758.db2.gz HEQYPFISTDNJCU-IAGOWNOFSA-N 2 0 378.521 0.605 20 30 GCEDRP C[NH+]=C(NCCNS(C)(=O)=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000261671400 1192727892 /nfs/dbraw/zinc/72/78/92/1192727892.db2.gz CCDKBQOKCXXREL-UHFFFAOYSA-N 2 0 387.594 0.943 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261699713 1192899078 /nfs/dbraw/zinc/89/90/78/1192899078.db2.gz GAZSHKPIAOSUIR-LIRRHRJNSA-N 2 0 378.521 0.604 20 30 GCEDRP C[NH+]=C(NCCNS(=O)(=O)c1cccnc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000261790103 1185459529 /nfs/dbraw/zinc/45/95/29/1185459529.db2.gz KWYQQGGVUQNECX-MRXNPFEDSA-N 2 0 394.545 0.496 20 30 GCEDRP CC(C)NS(=O)(=O)NCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000277091409 1186240801 /nfs/dbraw/zinc/24/08/01/1186240801.db2.gz KPMUNRLOJKVRDB-UHFFFAOYSA-N 2 0 379.530 0.945 20 30 GCEDRP CN(C)C(=O)CN/C(=[NH+]/CC(=O)N(C)C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000262266849 1186813501 /nfs/dbraw/zinc/81/35/01/1186813501.db2.gz GBMLRRWICBWVJP-DOTOQJQBSA-N 2 0 392.548 0.057 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)NCCN(C(=O)C2CC[NH+](CC#C)CC2)C2CC2)CC1 ZINC000066647949 1187776086 /nfs/dbraw/zinc/77/60/86/1187776086.db2.gz FTSPRSJBAYAMSD-UHFFFAOYSA-N 2 0 398.551 0.784 20 30 GCEDRP CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000378436597 1189506741 /nfs/dbraw/zinc/50/67/41/1189506741.db2.gz QJSCITBMBVAMBC-YSTOQKLRSA-N 2 0 391.560 0.862 20 30 GCEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261760171 1193878305 /nfs/dbraw/zinc/87/83/05/1193878305.db2.gz MUBMJERNVYBZRH-OAHLLOKOSA-N 2 0 398.533 0.039 20 30 GCEDRP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261778296 1193890434 /nfs/dbraw/zinc/89/04/34/1193890434.db2.gz OYNWBTGQSQLZFP-IBGZPJMESA-N 2 0 378.521 0.746 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420089308 1194175409 /nfs/dbraw/zinc/17/54/09/1194175409.db2.gz CWOOESPYJXNNAX-NRFANRHFSA-N 2 0 385.512 0.954 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420221341 1194209599 /nfs/dbraw/zinc/20/95/99/1194209599.db2.gz ZDOYXRGHNWSOSB-SLFFLAALSA-N 2 0 397.523 0.953 20 30 GCEDRP C[C@@H]1CN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC000423041138 1194721222 /nfs/dbraw/zinc/72/12/22/1194721222.db2.gz WEWZLGPDMJWOMQ-IAGOWNOFSA-N 2 0 383.496 0.801 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423074631 1194724617 /nfs/dbraw/zinc/72/46/17/1194724617.db2.gz MJZGFDYXHWJTBJ-NRFANRHFSA-N 2 0 383.496 0.660 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423074632 1194724717 /nfs/dbraw/zinc/72/47/17/1194724717.db2.gz MJZGFDYXHWJTBJ-OAQYLSRUSA-N 2 0 383.496 0.660 20 30 GCEDRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000423078347 1194725753 /nfs/dbraw/zinc/72/57/53/1194725753.db2.gz VTJDIMNCHILKCL-LJQANCHMSA-N 2 0 385.512 0.906 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423076073 1194727860 /nfs/dbraw/zinc/72/78/60/1194727860.db2.gz QCVHVCHEMFOUQY-MOPGFXCFSA-N 2 0 383.496 0.516 20 30 GCEDRP C[C@@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000330240587 1196261138 /nfs/dbraw/zinc/26/11/38/1196261138.db2.gz FIABTXNGYLOBFG-ROUUACIJSA-N 2 0 381.565 0.969 20 30 GCEDRP C=CCN1CC[C@@H]([N@H+](C)CCOCC[NH+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281321461 1196289307 /nfs/dbraw/zinc/28/93/07/1196289307.db2.gz LEWHEVXQAZTOJB-HDICACEKSA-N 2 0 378.517 0.440 20 30 GCEDRP CC(C)(C)OC(=O)N1CCN2C(NCCC[NH+]3CCC(O)CC3)=[NH+]C[C@@H]2C1 ZINC000305028442 1197040132 /nfs/dbraw/zinc/04/01/32/1197040132.db2.gz QBVQAVNQHCALCM-OAHLLOKOSA-N 2 0 381.521 0.714 20 30 GCEDRP C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000532268131 1197132460 /nfs/dbraw/zinc/13/24/60/1197132460.db2.gz MXZNSLZATUIUMV-HNNXBMFYSA-N 2 0 395.529 0.177 20 30 GCEDRP C[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C[NH+]1CCN(C)CC1 ZINC000133893930 1197384487 /nfs/dbraw/zinc/38/44/87/1197384487.db2.gz LIOSSUVNBSZWNO-SJORKVTESA-N 2 0 394.564 0.750 20 30 GCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672354890 1199216531 /nfs/dbraw/zinc/21/65/31/1199216531.db2.gz JHEWMLZWPQPYIJ-IBGZPJMESA-N 3 0 391.560 0.380 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)CC1 ZINC001003149142 1199433937 /nfs/dbraw/zinc/43/39/37/1199433937.db2.gz BICIFCRKKPTWMS-RUGGUXRKSA-N 2 0 386.540 0.920 20 30 GCEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000923327296 1200952081 /nfs/dbraw/zinc/95/20/81/1200952081.db2.gz CMLCNABHIMLBAY-BHIYHBOVSA-N 2 0 386.496 0.878 20 30 GCEDRP C#CCNC(=O)C1CC[NH+](CC[C@@H](C)[NH+]2CCC(C(=O)NCC#C)CC2)CC1 ZINC000770158564 1202088036 /nfs/dbraw/zinc/08/80/36/1202088036.db2.gz ZKRZZSZFQZAAAI-GOSISDBHSA-N 2 0 386.540 0.688 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nnccc2C#N)[C@@H](O)OC(C)(C)C)C1 ZINC001170388499 1205491321 /nfs/dbraw/zinc/49/13/21/1205491321.db2.gz NFMJJEBFSAVQIY-ADBDHWBDSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C#N)ncn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170387998 1205491385 /nfs/dbraw/zinc/49/13/85/1205491385.db2.gz ISGOWQHGYWRZKX-ADBDHWBDSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(C#N)nn2)[C@H](O)OC(C)(C)C)C1 ZINC001170383817 1205491803 /nfs/dbraw/zinc/49/18/03/1205491803.db2.gz MRBCPMHDIFQTBY-GIVGJKMXSA-N 2 0 392.504 0.622 20 30 GCEDRP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1 ZINC001130209485 1205536369 /nfs/dbraw/zinc/53/63/69/1205536369.db2.gz CKOPJWFBSVJUKR-NXOAAHMSSA-N 2 0 388.516 0.637 20 30 GCEDRP C#CC(C)(C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001182639115 1205877670 /nfs/dbraw/zinc/87/76/70/1205877670.db2.gz YDQLUDMSILLAAX-IQWQSGHPSA-N 2 0 383.533 0.941 20 30 GCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nn(C)cc1I ZINC000263074462 639144448 /nfs/dbraw/zinc/14/44/48/639144448.db2.gz HAYOGEJXQYZAGF-SNVBAGLBSA-N 2 0 390.273 0.913 20 30 GCEDRP C[NH+]1CCC(N2CCC([NH2+]CCS(=O)(=O)c3ccc(C#N)cn3)CC2)CC1 ZINC000573676853 1192911944 /nfs/dbraw/zinc/91/19/44/1192911944.db2.gz SBOGAUZDLRAVAI-UHFFFAOYSA-N 2 0 391.541 0.875 20 30 GCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1ccccc1 ZINC001211623541 1187098795 /nfs/dbraw/zinc/09/87/95/1187098795.db2.gz KUXQLBLICAQSMY-GFOJFJKKSA-N 2 0 385.508 0.940 20 30 GCEDRP CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000378436598 1189507217 /nfs/dbraw/zinc/50/72/17/1189507217.db2.gz QJSCITBMBVAMBC-ZGXWSNOMSA-N 2 0 391.560 0.862 20 30 GCEDRP C[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261750985 1193869451 /nfs/dbraw/zinc/86/94/51/1193869451.db2.gz LVVGFQGBRMEKFS-IFXJQAMLSA-N 2 0 378.521 0.604 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261759757 1193876514 /nfs/dbraw/zinc/87/65/14/1193876514.db2.gz OEUWGPQUHSLQED-QGZVFWFLSA-N 2 0 391.520 0.001 20 30 GCEDRP C[NH+]=C(NCc1ccc(N2CC[NH+](C)CC2)nc1)N1CCO[C@@H](COC)C1 ZINC000262026779 1193936337 /nfs/dbraw/zinc/93/63/37/1193936337.db2.gz WSTGJNPRQQTQNW-QGZVFWFLSA-N 2 0 376.505 0.256 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420089309 1194175678 /nfs/dbraw/zinc/17/56/78/1194175678.db2.gz CWOOESPYJXNNAX-OAQYLSRUSA-N 2 0 385.512 0.954 20 30 GCEDRP CC[NH+]=C(NCC[NH+]1CCC(C)CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261820041 1194226054 /nfs/dbraw/zinc/22/60/54/1194226054.db2.gz UKHUQLHYZUEKAU-FQEVSTJZSA-N 2 0 392.548 0.994 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423080725 1194725987 /nfs/dbraw/zinc/72/59/87/1194725987.db2.gz ZZHHBHSVWRJELT-RBUKOAKNSA-N 2 0 383.496 0.516 20 30 GCEDRP N#Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000518183101 1195264884 /nfs/dbraw/zinc/26/48/84/1195264884.db2.gz QZSYOFXYXIUSPP-UHFFFAOYSA-N 2 0 393.451 0.615 20 30 GCEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261974093 1195291679 /nfs/dbraw/zinc/29/16/79/1195291679.db2.gz NIQHLTSCIBGXPS-ROUUACIJSA-N 2 0 390.576 0.675 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000520629557 1195806130 /nfs/dbraw/zinc/80/61/30/1195806130.db2.gz RRALRRZGZCYVBF-UHFFFAOYSA-N 2 0 380.533 0.760 20 30 GCEDRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000330215210 1196259940 /nfs/dbraw/zinc/25/99/40/1196259940.db2.gz GWMQUJVHZOSWLV-AQNXPRMDSA-N 2 0 393.576 0.990 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(Cc2cc(C)on2)CC1 ZINC000262763428 1197158443 /nfs/dbraw/zinc/15/84/43/1197158443.db2.gz FBUGGMPBQGSKPC-GOSISDBHSA-N 2 0 375.521 0.066 20 30 GCEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@H](CN2CCOCC2)C1 ZINC000262773748 1197161442 /nfs/dbraw/zinc/16/14/42/1197161442.db2.gz IPKVJISIJBYGLY-LJQANCHMSA-N 2 0 393.576 0.861 20 30 GCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NCC1(N2CCOCC2)CCCCC1 ZINC000262806384 1197167726 /nfs/dbraw/zinc/16/77/26/1197167726.db2.gz WZDNDAVJXQKOGA-SFHVURJKSA-N 2 0 378.565 0.186 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000672357009 1199215375 /nfs/dbraw/zinc/21/53/75/1199215375.db2.gz JMCOWXJHYFYHKU-IAGOWNOFSA-N 2 0 380.533 0.759 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672357068 1199215919 /nfs/dbraw/zinc/21/59/19/1199215919.db2.gz XAMSUQPEWDSDLB-IBGZPJMESA-N 2 0 391.560 0.382 20 30 GCEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000923327298 1200951935 /nfs/dbraw/zinc/95/19/35/1200951935.db2.gz CMLCNABHIMLBAY-QXAKKESOSA-N 2 0 386.496 0.878 20 30 GCEDRP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000923327140 1200951971 /nfs/dbraw/zinc/95/19/71/1200951971.db2.gz ANKJMLHNIJWLCG-NSHGMRRFSA-N 2 0 386.496 0.878 20 30 GCEDRP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000923327139 1200952041 /nfs/dbraw/zinc/95/20/41/1200952041.db2.gz ANKJMLHNIJWLCG-NLWGTHIKSA-N 2 0 386.496 0.878 20 30 GCEDRP C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)C1=O ZINC001109848003 1202134839 /nfs/dbraw/zinc/13/48/39/1202134839.db2.gz QYTLSBPNAAPUPO-OWSLCNJRSA-N 2 0 376.501 0.217 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nnccc2C#N)[C@H](O)OC(C)(C)C)C1 ZINC001170388502 1205491347 /nfs/dbraw/zinc/49/13/47/1205491347.db2.gz NFMJJEBFSAVQIY-LZDZAVHKSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nnccc2C#N)[C@H](O)OC(C)(C)C)C1 ZINC001170388501 1205491369 /nfs/dbraw/zinc/49/13/69/1205491369.db2.gz NFMJJEBFSAVQIY-GIVGJKMXSA-N 2 0 392.504 0.622 20 30 GCEDRP COc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C#N ZINC000809502939 1205626510 /nfs/dbraw/zinc/62/65/10/1205626510.db2.gz SBRWLLOGZJHUNR-UHFFFAOYSA-N 2 0 375.473 0.135 20 30 GCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000178576361 638612935 /nfs/dbraw/zinc/61/29/35/638612935.db2.gz SCTITRGQGXMTQQ-CYBMUJFWSA-N 2 0 381.493 0.639 20 30 GCEDRP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1CC[NH+](CC(C)C)CC1 ZINC000261631952 1192616587 /nfs/dbraw/zinc/61/65/87/1192616587.db2.gz JOYVJANAVUWWON-UHFFFAOYSA-N 2 0 387.594 0.943 20 30 GCEDRP CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000261656481 1192646428 /nfs/dbraw/zinc/64/64/28/1192646428.db2.gz NJZWHPZXDYTOHZ-KRWDZBQOSA-N 2 0 383.562 0.570 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261656491 1192646516 /nfs/dbraw/zinc/64/65/16/1192646516.db2.gz FOZUPOKVWROOSF-IEBWSBKVSA-N 2 0 381.565 0.858 20 30 GCEDRP CC[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261698147 1192895349 /nfs/dbraw/zinc/89/53/49/1192895349.db2.gz FVDOMUCBGOWOBH-MGPUTAFESA-N 2 0 392.548 0.994 20 30 GCEDRP CCc1nsc(N2CCN(C(NC[C@H]3C[N@H+](C)CCN3C)=[NH+]C)CC2)n1 ZINC000261696895 1192895549 /nfs/dbraw/zinc/89/55/49/1192895549.db2.gz FSLNVLQHCFMHAL-AWEZNQCLSA-N 2 0 380.566 0.044 20 30 GCEDRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610976836 1186269107 /nfs/dbraw/zinc/26/91/07/1186269107.db2.gz XOFFZFRVOFGKKV-IBGZPJMESA-N 2 0 388.512 0.882 20 30 GCEDRP C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CCC(C(=O)OC)CC1 ZINC000114077718 1186573852 /nfs/dbraw/zinc/57/38/52/1186573852.db2.gz YACUETRODIGUTH-UHFFFAOYSA-N 2 0 388.516 0.794 20 30 GCEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000124665642 1186799915 /nfs/dbraw/zinc/79/99/15/1186799915.db2.gz BQZQHAXKAODGKB-INIZCTEOSA-N 2 0 389.504 0.610 20 30 GCEDRP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000178821806 1193863575 /nfs/dbraw/zinc/86/35/75/1193863575.db2.gz JXEHUZASKLSUPP-UHFFFAOYSA-N 2 0 385.578 0.697 20 30 GCEDRP C[NH+]=C(NCc1cc(F)ccc1N1CCOCC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000261992082 1193935132 /nfs/dbraw/zinc/93/51/32/1193935132.db2.gz PCRSRGZOPJHFTH-GOSISDBHSA-N 2 0 390.507 0.327 20 30 GCEDRP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCC[N@@H+]1C ZINC000262666563 1193953365 /nfs/dbraw/zinc/95/33/65/1193953365.db2.gz OYYYHAJEBSBPNK-FUHWJXTLSA-N 2 0 397.531 0.730 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420221339 1194209439 /nfs/dbraw/zinc/20/94/39/1194209439.db2.gz ZDOYXRGHNWSOSB-HSALFYBXSA-N 2 0 397.523 0.953 20 30 GCEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261858046 1194452603 /nfs/dbraw/zinc/45/26/03/1194452603.db2.gz YAEKCAWLFRUIJQ-JXFKEZNVSA-N 2 0 380.581 0.954 20 30 GCEDRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000423078346 1194725865 /nfs/dbraw/zinc/72/58/65/1194725865.db2.gz VTJDIMNCHILKCL-IBGZPJMESA-N 2 0 385.512 0.906 20 30 GCEDRP CC(=O)N[C@@H](CS)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001270178839 1195076658 /nfs/dbraw/zinc/07/66/58/1195076658.db2.gz AQRDCZDICKLLBP-JQHSSLGASA-N 2 0 379.530 0.869 20 30 GCEDRP C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427228497 1195519415 /nfs/dbraw/zinc/51/94/15/1195519415.db2.gz WRVYTBREYIRYJF-UHFFFAOYSA-N 2 0 389.504 0.782 20 30 GCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000262273314 1196155078 /nfs/dbraw/zinc/15/50/78/1196155078.db2.gz HHMDBPYGRNLLRV-UHFFFAOYSA-N 2 0 380.581 0.919 20 30 GCEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330213977 1196259875 /nfs/dbraw/zinc/25/98/75/1196259875.db2.gz FUFOMGUODSNICV-UHOSZYNNSA-N 2 0 380.533 0.932 20 30 GCEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000303977490 1196472486 /nfs/dbraw/zinc/47/24/86/1196472486.db2.gz LEWNCUPDLMVMBL-MRXNPFEDSA-N 2 0 396.536 0.454 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NCC1(N2CCOCC2)CCCCC1 ZINC000262806383 1197167794 /nfs/dbraw/zinc/16/77/94/1197167794.db2.gz WZDNDAVJXQKOGA-GOSISDBHSA-N 2 0 378.565 0.186 20 30 GCEDRP CC[NH+]1CCN([C@H](C)CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000133877690 1197383944 /nfs/dbraw/zinc/38/39/44/1197383944.db2.gz TXLIZJLVDYPSNR-SJORKVTESA-N 2 0 394.564 0.893 20 30 GCEDRP CN1CCC[N@H+](CCCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000133952164 1197384383 /nfs/dbraw/zinc/38/43/83/1197384383.db2.gz YVVDCINUDZADGR-KRWDZBQOSA-N 2 0 394.564 0.895 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000672357010 1199215311 /nfs/dbraw/zinc/21/53/11/1199215311.db2.gz JMCOWXJHYFYHKU-IRXDYDNUSA-N 2 0 380.533 0.759 20 30 GCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001003364730 1199506388 /nfs/dbraw/zinc/50/63/88/1199506388.db2.gz BUPRHWROVLBILE-RUGGUXRKSA-N 2 0 386.540 0.920 20 30 GCEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000174350338 1200392724 /nfs/dbraw/zinc/39/27/24/1200392724.db2.gz LTRRXSDRFZGOBG-LJQANCHMSA-N 2 0 385.512 0.859 20 30 GCEDRP C#CCN1CCN(C(=O)C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)CC1 ZINC000766972725 1201963556 /nfs/dbraw/zinc/96/35/56/1201963556.db2.gz IQCXCHFHENZRCT-UHFFFAOYSA-N 2 0 378.561 0.834 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccnc(C#N)n2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388641 1205491319 /nfs/dbraw/zinc/49/13/19/1205491319.db2.gz OTQMOVIXTZGOSE-PUMWCKSCSA-N 2 0 392.504 0.622 20 30 GCEDRP C#CCNc1nc(N2CC[NH+](CC)[C@H](C)C2)nc(N2CC[N@@H+](CC)[C@@H](C)C2)n1 ZINC000804574069 1205518112 /nfs/dbraw/zinc/51/81/12/1205518112.db2.gz KAVWEZMPWZQYRN-CALCHBBNSA-N 2 0 386.548 0.399 20 30 GCEDRP C#CCNc1nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000804588734 1205518487 /nfs/dbraw/zinc/51/84/87/1205518487.db2.gz PRIDGQFKAPRVKL-QAETUUGQSA-N 2 0 386.548 0.396 20 30 GCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1n1ccnn1 ZINC001130014498 1205528536 /nfs/dbraw/zinc/52/85/36/1205528536.db2.gz PIISQEXCAMWQCC-MHTWAQMVSA-N 2 0 392.507 0.988 20 30 GCEDRP C[C@H](CCCC#N)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001172484548 1205715882 /nfs/dbraw/zinc/71/58/82/1205715882.db2.gz GEWFUFSOTOBXRR-GOSISDBHSA-N 2 0 375.510 0.700 20 30 GCEDRP N#Cc1ccc(C(=O)N2CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC2)cc1 ZINC001173428337 1205721105 /nfs/dbraw/zinc/72/11/05/1205721105.db2.gz NYUJEMKFBWFUEN-UHFFFAOYSA-N 2 0 375.433 0.301 20 30 GCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001183043790 1205885650 /nfs/dbraw/zinc/88/56/50/1205885650.db2.gz ZMTYGZUTGWKGNY-UHFFFAOYSA-N 2 0 375.473 0.503 20 30 GCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001183043256 1205885744 /nfs/dbraw/zinc/88/57/44/1205885744.db2.gz NXARVIQILBEKMI-UHFFFAOYSA-N 2 0 391.560 0.335 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]2C#N)[C@H](O)OC(C)(C)C)C1 ZINC001186985499 1205952554 /nfs/dbraw/zinc/95/25/54/1205952554.db2.gz NKOVMNHJTLPEOR-KDLTZKQDSA-N 2 0 382.505 0.442 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]2C#N)[C@@H](O)OC(C)(C)C)C1 ZINC001186985501 1205952680 /nfs/dbraw/zinc/95/26/80/1205952680.db2.gz NKOVMNHJTLPEOR-NVRAYYNESA-N 2 0 382.505 0.442 20 30 GCEDRP C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262755834 639136207 /nfs/dbraw/zinc/13/62/07/639136207.db2.gz BFHACEBPDUGLBA-ZIAGYGMSSA-N 2 0 389.591 0.155 20 30 GCEDRP CN(C(=O)NCC(=O)NCC#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000511900488 1192194696 /nfs/dbraw/zinc/19/46/96/1192194696.db2.gz HEQYPFISTDNJCU-SJORKVTESA-N 2 0 378.521 0.605 20 30 GCEDRP CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261694355 1192892548 /nfs/dbraw/zinc/89/25/48/1192892548.db2.gz FLXIHSSLLKXMDJ-WMLDXEAASA-N 2 0 385.578 0.696 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000580419836 1185226403 /nfs/dbraw/zinc/22/64/03/1185226403.db2.gz JGALZDYMFUBNGH-KRWDZBQOSA-N 2 0 377.533 0.880 20 30 GCEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000130971968 1186950306 /nfs/dbraw/zinc/95/03/06/1186950306.db2.gz ITTZVPDNSQPXAN-UHFFFAOYSA-N 2 0 377.489 0.724 20 30 GCEDRP C#CCNS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000728611556 1187456400 /nfs/dbraw/zinc/45/64/00/1187456400.db2.gz OGFIPVZGZYSFCH-UHFFFAOYSA-N 2 0 380.514 0.164 20 30 GCEDRP CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000378436595 1189507119 /nfs/dbraw/zinc/50/71/19/1189507119.db2.gz QJSCITBMBVAMBC-FUMNGEBKSA-N 2 0 391.560 0.862 20 30 GCEDRP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=NOCc1nnc2n1CCOC2 ZINC000280708779 1194015770 /nfs/dbraw/zinc/01/57/70/1194015770.db2.gz HMSRODFFMHFASH-UHFFFAOYSA-N 2 0 399.499 0.805 20 30 GCEDRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419867777 1194126599 /nfs/dbraw/zinc/12/65/99/1194126599.db2.gz BAOZBHWZCRYVNC-QFBILLFUSA-N 2 0 385.512 0.953 20 30 GCEDRP CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261855430 1194434507 /nfs/dbraw/zinc/43/45/07/1194434507.db2.gz XUKVUAZJZDBCLY-UHFFFAOYSA-N 2 0 391.520 0.145 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423071642 1194724240 /nfs/dbraw/zinc/72/42/40/1194724240.db2.gz GAFSCNLDWQNRIS-SFHVURJKSA-N 2 0 387.484 0.025 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423080723 1194725813 /nfs/dbraw/zinc/72/58/13/1194725813.db2.gz ZZHHBHSVWRJELT-MOPGFXCFSA-N 2 0 383.496 0.516 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423076074 1194727815 /nfs/dbraw/zinc/72/78/15/1194727815.db2.gz QCVHVCHEMFOUQY-OALUTQOASA-N 2 0 383.496 0.516 20 30 GCEDRP Cc1nnc(CNC(NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)=[NH+]C2CC2)n1C ZINC000261930800 1194977486 /nfs/dbraw/zinc/97/74/86/1194977486.db2.gz BHNLHOPOESLZIK-IAGOWNOFSA-N 2 0 375.521 0.699 20 30 GCEDRP C[NH+]=C(NCC(=O)N1CCN(c2ccccc2)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262007104 1195390173 /nfs/dbraw/zinc/39/01/73/1195390173.db2.gz VWBAWMZERYBRDU-FXAWDEMLSA-N 2 0 398.555 0.983 20 30 GCEDRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000330215211 1196259673 /nfs/dbraw/zinc/25/96/73/1196259673.db2.gz GWMQUJVHZOSWLV-VAMGGRTRSA-N 2 0 393.576 0.990 20 30 GCEDRP C[NH+](C)C1CCN(CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000133964596 1197384561 /nfs/dbraw/zinc/38/45/61/1197384561.db2.gz DOTYJUBMFUYXAP-QGZVFWFLSA-N 2 0 394.564 0.893 20 30 GCEDRP C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271952194 1197559621 /nfs/dbraw/zinc/55/96/21/1197559621.db2.gz CCULYZRQVLDECO-HNNXBMFYSA-N 2 0 382.530 0.869 20 30 GCEDRP N#CCc1ccc(OC[C@@H](O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000611244151 1201226018 /nfs/dbraw/zinc/22/60/18/1201226018.db2.gz FIXVOZMOLYFVEV-ICSRJNTNSA-N 2 0 386.496 0.906 20 30 GCEDRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(C#N)nn2)[C@H](O)OC(C)(C)C)C1 ZINC001170383819 1205491787 /nfs/dbraw/zinc/49/17/87/1205491787.db2.gz MRBCPMHDIFQTBY-LZDZAVHKSA-N 2 0 392.504 0.622 20 30 GCEDRP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001573284927 946763319 /nfs/dbraw/zinc/76/33/19/946763319.db2.gz AMNCBDFXVYARGX-HNNXBMFYSA-N 2 0 387.513 0.964 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1cc(Br)cn1C ZINC000261657841 530129109 /nfs/dbraw/zinc/12/91/09/530129109.db2.gz ASWSZSGCPJQEPY-OAHLLOKOSA-N 2 0 383.338 0.795 20 30 GCEDRP C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262016525 638699594 /nfs/dbraw/zinc/69/95/94/638699594.db2.gz XVOBGROGVLJWHW-DZGCQCFKSA-N 2 0 389.591 0.013 20 30 GCEDRP C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)NC1CC[NH+](C(C)C)CC1 ZINC000262771544 639137042 /nfs/dbraw/zinc/13/70/42/639137042.db2.gz UVVYTNRTOZYXEB-UHFFFAOYSA-N 2 0 391.607 0.403 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000580419837 1185226160 /nfs/dbraw/zinc/22/61/60/1185226160.db2.gz JGALZDYMFUBNGH-QGZVFWFLSA-N 2 0 377.533 0.880 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000261656495 1185335578 /nfs/dbraw/zinc/33/55/78/1185335578.db2.gz FOZUPOKVWROOSF-MJGOQNOKSA-N 2 0 381.565 0.858 20 30 GCEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691226244 1186038291 /nfs/dbraw/zinc/03/82/91/1186038291.db2.gz NUQSMWWAYGCKGP-QKPAOTATSA-N 2 0 379.505 0.213 20 30 GCEDRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000548442698 1186123378 /nfs/dbraw/zinc/12/33/78/1186123378.db2.gz NCXQWXFDWARCEQ-GOSISDBHSA-N 2 0 383.500 1.147 20 30 GCEDRP CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000262242682 1186789315 /nfs/dbraw/zinc/78/93/15/1186789315.db2.gz AHLWWWASMNIWBI-HOTGVXAUSA-N 2 0 380.537 0.057 20 30 GCEDRP CN(C)C(=O)CNC(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)=[NH+]C1CCCC1 ZINC000262282147 1186838025 /nfs/dbraw/zinc/83/80/25/1186838025.db2.gz JIYQBROEFFNGJP-QZTJIDSGSA-N 2 0 379.549 0.930 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652692069 1189390767 /nfs/dbraw/zinc/39/07/67/1189390767.db2.gz ICKOLWYKLXGYIS-JENIJYKNSA-N 2 0 392.544 0.888 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652692070 1189391682 /nfs/dbraw/zinc/39/16/82/1189391682.db2.gz ICKOLWYKLXGYIS-LNLFQRSKSA-N 2 0 392.544 0.888 20 30 GCEDRP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000261734194 1193829896 /nfs/dbraw/zinc/82/98/96/1193829896.db2.gz YMBJKNSSENVZGJ-KRWDZBQOSA-N 2 0 385.578 0.651 20 30 GCEDRP CS(=O)(=O)N1CCC[C@@H]1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261755820 1193873832 /nfs/dbraw/zinc/87/38/32/1193873832.db2.gz FMDLIHFYXVWPFK-GOSISDBHSA-N 2 0 393.557 0.979 20 30 GCEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261760169 1193877906 /nfs/dbraw/zinc/87/79/06/1193877906.db2.gz MUBMJERNVYBZRH-HNNXBMFYSA-N 2 0 398.533 0.039 20 30 GCEDRP C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CCO[C@H](COC)C1 ZINC000261922867 1193931599 /nfs/dbraw/zinc/93/15/99/1193931599.db2.gz KRFIJHITSHUDLH-KRWDZBQOSA-N 2 0 376.505 0.256 20 30 GCEDRP C[NH+]1CCN(c2cc(CNC(=[NH2+])N3CCN(c4ncccn4)CC3)ccn2)CC1 ZINC000261964141 1193933252 /nfs/dbraw/zinc/93/32/52/1193933252.db2.gz AKNVASBNJUACHN-UHFFFAOYSA-N 2 0 395.515 0.260 20 30 GCEDRP C[NH+]=C(NCc1cc(F)ccc1N1CCOCC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000261992085 1193935116 /nfs/dbraw/zinc/93/51/16/1193935116.db2.gz PCRSRGZOPJHFTH-SFHVURJKSA-N 2 0 390.507 0.327 20 30 GCEDRP C=C(C)COCCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419397063 1194018467 /nfs/dbraw/zinc/01/84/67/1194018467.db2.gz DQVSTDAUVKRWSW-UHFFFAOYSA-N 2 0 388.512 0.805 20 30 GCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423077314 1194727849 /nfs/dbraw/zinc/72/78/49/1194727849.db2.gz SXNLFTPLDFRMND-RBUKOAKNSA-N 2 0 383.496 0.659 20 30 GCEDRP N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424536904 1194820110 /nfs/dbraw/zinc/82/01/10/1194820110.db2.gz BWSHQQQCEPELCE-ZWKOTPCHSA-N 2 0 383.496 0.905 20 30 GCEDRP C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262005975 1195385490 /nfs/dbraw/zinc/38/54/90/1195385490.db2.gz VPSUHNRIGOLMKA-KVSKMBFKSA-N 2 0 381.590 0.842 20 30 GCEDRP CN(C)C(=O)CNC(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)=[NH+]C1CCCC1 ZINC000262282146 1196174965 /nfs/dbraw/zinc/17/49/65/1196174965.db2.gz JIYQBROEFFNGJP-MSOLQXFVSA-N 2 0 379.549 0.930 20 30 GCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262511004 1196448659 /nfs/dbraw/zinc/44/86/59/1196448659.db2.gz BHTMWBGPUBKNPE-QGZVFWFLSA-N 2 0 391.516 0.970 20 30 GCEDRP C(#CCN1CC[NH+](C[C@@H]2CCOC2)CC1)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429699174 1196693701 /nfs/dbraw/zinc/69/37/01/1196693701.db2.gz WZOWREFBKCGZOD-SZPZYZBQSA-N 2 0 390.572 0.298 20 30 GCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672355645 1199215825 /nfs/dbraw/zinc/21/58/25/1199215825.db2.gz JNJAREDOKXTRDL-KRWDZBQOSA-N 2 0 377.533 0.038 20 30 GCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672357086 1199215905 /nfs/dbraw/zinc/21/59/05/1199215905.db2.gz YBSNXFOHJQVRPY-GOSISDBHSA-N 2 0 391.560 0.428 20 30 GCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672354891 1199216935 /nfs/dbraw/zinc/21/69/35/1199216935.db2.gz JHEWMLZWPQPYIJ-LJQANCHMSA-N 3 0 391.560 0.380 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C#N)ncn2)[C@H](O)OC(C)(C)C)C1 ZINC001170388002 1205491316 /nfs/dbraw/zinc/49/13/16/1205491316.db2.gz ISGOWQHGYWRZKX-GIVGJKMXSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C#N)cnn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170398276 1205491530 /nfs/dbraw/zinc/49/15/30/1205491530.db2.gz WVZRKYITZGGMLX-OIDVLUPKSA-N 2 0 392.504 0.622 20 30 GCEDRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncc(C#N)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170383366 1205491981 /nfs/dbraw/zinc/49/19/81/1205491981.db2.gz HZCREYGLYTZONO-DNCCFGNJSA-N 2 0 392.504 0.622 20 30 GCEDRP C#CCNc1nc(N2C[C@H](C)[NH+](C)C[C@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000804588733 1205518446 /nfs/dbraw/zinc/51/84/46/1205518446.db2.gz PRIDGQFKAPRVKL-LUKYLMHMSA-N 2 0 386.548 0.396 20 30 GCEDRP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001130212814 1205536927 /nfs/dbraw/zinc/53/69/27/1205536927.db2.gz FGIXOOFEVUDNBX-WCVJEAGWSA-N 2 0 376.505 0.799 20 30 GCEDRP