smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CC(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000053954947 1406568731 /nfs/dbraw/zinc/56/87/31/1406568731.db2.gz LXHHHWBDNVDTTR-UHFFFAOYSA-N 2 0 397.567 3.085 20 30 GGEDRP CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000053964771 1406572273 /nfs/dbraw/zinc/57/22/73/1406572273.db2.gz YMFNYFIELFYYGQ-UHFFFAOYSA-N 2 0 397.567 3.040 20 30 GGEDRP CN1CC[NH+](CCCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047703270 1404895899 /nfs/dbraw/zinc/89/58/99/1404895899.db2.gz IGOHDGBTLXEIQR-UHFFFAOYSA-N 2 0 392.547 3.254 20 30 GGEDRP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048564571 1405226496 /nfs/dbraw/zinc/22/64/96/1405226496.db2.gz PMMNSVTUSDKZAP-QFIPXVFZSA-N 2 0 385.552 3.080 20 30 GGEDRP C=C(C)COc1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)ccc1OC ZINC000057968180 1407762158 /nfs/dbraw/zinc/76/21/58/1407762158.db2.gz SZHMFWSYDUFKSV-UHFFFAOYSA-N 2 0 396.535 3.087 20 30 GGEDRP C=C(C)COc1cc(C[NH2+]CCCC[NH+]2CCN(CC)CC2)ccc1OC ZINC000057962945 1407762383 /nfs/dbraw/zinc/76/23/83/1407762383.db2.gz HVVDPYAKMAIHHI-UHFFFAOYSA-N 2 0 375.557 3.157 20 30 GGEDRP C#CCOc1ccccc1C[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000061070283 1408073864 /nfs/dbraw/zinc/07/38/64/1408073864.db2.gz LPPUVBWXFIZHRR-UHFFFAOYSA-N 2 0 377.532 3.126 20 30 GGEDRP Cc1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441485 1408354754 /nfs/dbraw/zinc/35/47/54/1408354754.db2.gz VBVWRLZFECXVFB-UHFFFAOYSA-O 2 0 386.516 3.044 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000176501676 1428341813 /nfs/dbraw/zinc/34/18/13/1428341813.db2.gz LTRRAKJDZKZOAH-HXUWFJFHSA-N 2 0 384.568 3.333 20 30 GGEDRP CN1CC[NH+](CCCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905291 1408948070 /nfs/dbraw/zinc/94/80/70/1408948070.db2.gz ARDYLOHOJRWKMK-UHFFFAOYSA-N 2 0 392.547 3.254 20 30 GGEDRP CCc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2cccc(C)c2)cc1 ZINC000067952258 1409263167 /nfs/dbraw/zinc/26/31/67/1409263167.db2.gz GQLMCDAQCUEUMS-UHFFFAOYSA-O 2 0 396.580 3.468 20 30 GGEDRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccccc2)CC1 ZINC000069170980 1409580189 /nfs/dbraw/zinc/58/01/89/1409580189.db2.gz GCBKNNBDCCNSGQ-XMMPIXPASA-N 2 0 392.547 3.447 20 30 GGEDRP C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868417 1409854645 /nfs/dbraw/zinc/85/46/45/1409854645.db2.gz JQAXXAFUGOSEAI-FQEVSTJZSA-N 2 0 376.504 3.341 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000077566988 1409897491 /nfs/dbraw/zinc/89/74/91/1409897491.db2.gz NKHSYRYQJHLEJN-HXUWFJFHSA-N 2 0 384.568 3.333 20 30 GGEDRP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000081984243 1410025575 /nfs/dbraw/zinc/02/55/75/1410025575.db2.gz DOOOFBMDTIFGTB-YJBOKZPZSA-N 2 0 375.542 3.101 20 30 GGEDRP CC(C)(CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000083031430 1410026988 /nfs/dbraw/zinc/02/69/88/1410026988.db2.gz VXQWFEAPXHDTQZ-HXUWFJFHSA-N 2 0 378.520 3.251 20 30 GGEDRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000092853954 1410204926 /nfs/dbraw/zinc/20/49/26/1410204926.db2.gz RILLYHPPWUCJHV-UHFFFAOYSA-N 2 0 394.519 3.373 20 30 GGEDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000105476570 1411070769 /nfs/dbraw/zinc/07/07/69/1411070769.db2.gz BQSBRAINQKDZPI-UHFFFAOYSA-N 2 0 392.547 3.254 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000106275531 1411188606 /nfs/dbraw/zinc/18/86/06/1411188606.db2.gz MYYSECLMHBKGPQ-UHFFFAOYSA-N 2 0 398.595 3.377 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CC1 ZINC000106340941 1411198708 /nfs/dbraw/zinc/19/87/08/1411198708.db2.gz XBZACZNHYGHRRT-UHFFFAOYSA-N 2 0 392.975 3.454 20 30 GGEDRP C[NH+](C)CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000116439073 1412860855 /nfs/dbraw/zinc/86/08/55/1412860855.db2.gz HPUMSFYBIRIPNC-OAQYLSRUSA-N 2 0 399.583 3.142 20 30 GGEDRP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3CCC[NH+](C)C3)sc2C1 ZINC000118842444 1413243075 /nfs/dbraw/zinc/24/30/75/1413243075.db2.gz IFPDUESHRBYNOY-HZPDHXFCSA-N 2 0 388.581 3.347 20 30 GGEDRP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3CCC[NH+](C)C3)sc2C1 ZINC000118842446 1413244131 /nfs/dbraw/zinc/24/41/31/1413244131.db2.gz IFPDUESHRBYNOY-JKSUJKDBSA-N 2 0 388.581 3.347 20 30 GGEDRP Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000119226482 1413381805 /nfs/dbraw/zinc/38/18/05/1413381805.db2.gz FLJHTXKGPQGZEA-UHFFFAOYSA-N 2 0 394.519 3.224 20 30 GGEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120227907 1413740220 /nfs/dbraw/zinc/74/02/20/1413740220.db2.gz VTLXHNATJRZHKB-IBGZPJMESA-N 2 0 382.552 3.323 20 30 GGEDRP CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000120917664 1413947804 /nfs/dbraw/zinc/94/78/04/1413947804.db2.gz YNIWLYROXAYPFS-UHFFFAOYSA-O 2 0 399.584 3.104 20 30 GGEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[NH+]1CCC(C)CC1 ZINC000121216211 1414047046 /nfs/dbraw/zinc/04/70/46/1414047046.db2.gz XGWZSVZFOVKYPP-UHFFFAOYSA-N 2 0 377.602 3.317 20 30 GGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000177511983 1428777462 /nfs/dbraw/zinc/77/74/62/1428777462.db2.gz UOPOMYSIXJGIHD-KDURUIRLSA-N 2 0 398.551 3.098 20 30 GGEDRP CN(c1ccccc1C[NH2+]Cc1ccc(OCC#N)cc1)C1CC[NH+](C)CC1 ZINC000177578133 1428801678 /nfs/dbraw/zinc/80/16/78/1428801678.db2.gz JNLZMTFNKSGPCN-UHFFFAOYSA-N 2 0 378.520 3.409 20 30 GGEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000122124257 1414367886 /nfs/dbraw/zinc/36/78/86/1414367886.db2.gz ZIVXLWNJDRLDFK-UHFFFAOYSA-N 2 0 397.523 3.179 20 30 GGEDRP C[NH+](C)CCCC1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000123244770 1414677412 /nfs/dbraw/zinc/67/74/12/1414677412.db2.gz FDNKLOZJWSCNIO-LJQANCHMSA-N 2 0 391.519 3.277 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000178172525 1429006303 /nfs/dbraw/zinc/00/63/03/1429006303.db2.gz AUMJFXNHEQCHAF-OALUTQOASA-N 2 0 384.568 3.093 20 30 GGEDRP CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000128750885 1416059170 /nfs/dbraw/zinc/05/91/70/1416059170.db2.gz BZCJXUQLWFPOQP-RJGXRXQPSA-N 2 0 396.579 3.374 20 30 GGEDRP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1C ZINC000131292915 1416535797 /nfs/dbraw/zinc/53/57/97/1416535797.db2.gz PAACQKJSFURRIZ-FQEVSTJZSA-N 2 0 393.535 3.238 20 30 GGEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000132278339 1416727994 /nfs/dbraw/zinc/72/79/94/1416727994.db2.gz AJOUANPIRLLHKY-UHFFFAOYSA-N 2 0 395.507 3.308 20 30 GGEDRP N#CCCn1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000134073997 1417018407 /nfs/dbraw/zinc/01/84/07/1417018407.db2.gz XPPNOWMSSOGERP-UHFFFAOYSA-N 2 0 393.535 3.008 20 30 GGEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134475819 1417074339 /nfs/dbraw/zinc/07/43/39/1417074339.db2.gz HSBRGYHRZCWULA-KBXCAEBGSA-N 2 0 378.879 3.430 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000178775052 1429166921 /nfs/dbraw/zinc/16/69/21/1429166921.db2.gz GODILOYQRNRSKW-GGAORHGYSA-N 2 0 396.579 3.333 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000135420090 1417217842 /nfs/dbraw/zinc/21/78/42/1417217842.db2.gz IFDFKKAWURNKKL-PMACEKPBSA-N 2 0 398.595 3.483 20 30 GGEDRP C[NH+](C)CCCCCCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000140165620 1417490008 /nfs/dbraw/zinc/49/00/08/1417490008.db2.gz FPPJTPPCSAAPMD-UHFFFAOYSA-N 2 0 399.583 3.288 20 30 GGEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179395552 1429357760 /nfs/dbraw/zinc/35/77/60/1429357760.db2.gz VGPHHIUXMOSBBG-LJQANCHMSA-N 2 0 397.567 3.351 20 30 GGEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1sccc1C#N ZINC000179396343 1429358203 /nfs/dbraw/zinc/35/82/03/1429358203.db2.gz HFHFBRVXAPCHCY-UHFFFAOYSA-N 2 0 383.521 3.192 20 30 GGEDRP C[NH+](C)CCOc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000160650894 1424623012 /nfs/dbraw/zinc/62/30/12/1424623012.db2.gz VDEHWQHLSFZNCR-UHFFFAOYSA-N 2 0 396.413 3.452 20 30 GGEDRP C[NH+](C)CCOc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160651048 1424623242 /nfs/dbraw/zinc/62/32/42/1424623242.db2.gz DCRSFBKYHRJYGM-UHFFFAOYSA-N 2 0 396.413 3.452 20 30 GGEDRP Cc1ccc(C(=O)C(C(=S)NCC(C)(C)C[NH+](C)C)[n+]2ccccc2)s1 ZINC000170715469 1425314394 /nfs/dbraw/zinc/31/43/94/1425314394.db2.gz DBGOOHUBDGJSCQ-UHFFFAOYSA-O 2 0 390.598 3.460 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)CC1 ZINC000171548190 1425729508 /nfs/dbraw/zinc/72/95/08/1425729508.db2.gz PGCYMFHCTJQSBF-UHFFFAOYSA-N 2 0 399.583 3.299 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000171553943 1425732202 /nfs/dbraw/zinc/73/22/02/1425732202.db2.gz RRLFNYMUFPJQOC-UHFFFAOYSA-N 2 0 384.568 3.033 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000171557167 1425733781 /nfs/dbraw/zinc/73/37/81/1425733781.db2.gz MJOJZRXGAWWVDG-UHFFFAOYSA-N 2 0 384.568 3.238 20 30 GGEDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OC)c(C#N)c3)cc2F)CC1 ZINC000174368011 1427123143 /nfs/dbraw/zinc/12/31/43/1427123143.db2.gz HTCNMMVJXANIOL-UHFFFAOYSA-N 2 0 382.483 3.138 20 30 GGEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000174908005 1427440433 /nfs/dbraw/zinc/44/04/33/1427440433.db2.gz IEIKFPGOSYVETQ-HXUWFJFHSA-N 2 0 385.556 3.368 20 30 GGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000175018788 1427501412 /nfs/dbraw/zinc/50/14/12/1427501412.db2.gz VOKCATNQTDZUKE-GOSISDBHSA-N 2 0 379.504 3.224 20 30 GGEDRP Cn1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180355937 1429844668 /nfs/dbraw/zinc/84/46/68/1429844668.db2.gz DAGRZZRGDWSCCJ-UHFFFAOYSA-N 2 0 386.503 3.360 20 30 GGEDRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(C#N)c1 ZINC000181726333 1430348095 /nfs/dbraw/zinc/34/80/95/1430348095.db2.gz XMPUGULESJRNIC-VGSWGCGISA-N 2 0 376.504 3.106 20 30 GGEDRP N#Cc1ccc(CN2CCC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000181917519 1430382840 /nfs/dbraw/zinc/38/28/40/1430382840.db2.gz SDRWWJDIUUTZTB-UHFFFAOYSA-N 2 0 389.547 3.424 20 30 GGEDRP N#Cc1ccc(C[NH+]2CCC(NCC3([NH+]4CCCCC4)CCOCC3)CC2)cc1 ZINC000181947341 1430387180 /nfs/dbraw/zinc/38/71/80/1430387180.db2.gz GBLKCOJNTLGHLW-UHFFFAOYSA-N 2 0 396.579 3.147 20 30 GGEDRP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182733464 1430529542 /nfs/dbraw/zinc/52/95/42/1430529542.db2.gz VSDZZLFSDHPZLX-QFIPXVFZSA-N 2 0 382.552 3.498 20 30 GGEDRP COc1ccc(CNC(=[NH2+])NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1OC ZINC000187055857 1431601198 /nfs/dbraw/zinc/60/11/98/1431601198.db2.gz SVHQVKVPBRKAHK-HXUWFJFHSA-N 2 0 396.535 3.019 20 30 GGEDRP COc1ccc(CNC(=[NH2+])NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1OC ZINC000187055836 1431601396 /nfs/dbraw/zinc/60/13/96/1431601396.db2.gz SVHQVKVPBRKAHK-FQEVSTJZSA-N 2 0 396.535 3.019 20 30 GGEDRP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1ccc2c(c1)CCC2 ZINC000190536730 1432400066 /nfs/dbraw/zinc/40/00/66/1432400066.db2.gz ZPSKPXIEVYKBRV-JOCHJYFZSA-N 2 0 378.520 3.193 20 30 GGEDRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193079682 1432933241 /nfs/dbraw/zinc/93/32/41/1432933241.db2.gz UUDGWPWSIIRHFI-UHFFFAOYSA-N 2 0 390.575 3.456 20 30 GGEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)cc2)CC1 ZINC000236962396 1433384345 /nfs/dbraw/zinc/38/43/45/1433384345.db2.gz YBBZVMQVZCWMDB-HXUWFJFHSA-N 2 0 392.547 3.405 20 30 GGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000237593102 1433411364 /nfs/dbraw/zinc/41/13/64/1433411364.db2.gz INGSAXHWSOOCMO-HYBUGGRVSA-N 2 0 392.547 3.446 20 30 GGEDRP CC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000245431356 1433466375 /nfs/dbraw/zinc/46/63/75/1433466375.db2.gz ARLSZSACHBTDFN-JKSUJKDBSA-N 2 0 388.581 3.347 20 30 GGEDRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(C#N)c1 ZINC000245957094 1433550637 /nfs/dbraw/zinc/55/06/37/1433550637.db2.gz XMPUGULESJRNIC-VGOFRKELSA-N 2 0 376.504 3.106 20 30 GGEDRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000247487826 1433728615 /nfs/dbraw/zinc/72/86/15/1433728615.db2.gz VKJUSWYQELKVLG-VGOFRKELSA-N 2 0 376.504 3.106 20 30 GGEDRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000247487816 1433728962 /nfs/dbraw/zinc/72/89/62/1433728962.db2.gz VKJUSWYQELKVLG-HTAPYJJXSA-N 2 0 376.504 3.106 20 30 GGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248435638 1433802395 /nfs/dbraw/zinc/80/23/95/1433802395.db2.gz FTDSNISKTACRBD-AVRDEDQJSA-N 2 0 379.504 3.224 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000261597461 1433897028 /nfs/dbraw/zinc/89/70/28/1433897028.db2.gz AEWFXJHHMPDISI-BHDDXSALSA-N 2 0 396.579 3.082 20 30 GGEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CC[NH+](CC(C)C)CC1 ZINC000261632156 1433897739 /nfs/dbraw/zinc/89/77/39/1433897739.db2.gz CMTQJOJLYUWKAG-ZCNNSNEGSA-N 2 0 376.589 3.010 20 30 GGEDRP CC[NH+]=C(NC[C@]1(C)CCOC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000262009134 1433921825 /nfs/dbraw/zinc/92/18/25/1433921825.db2.gz WGCRDVUYTIYBQZ-AKFKNWHVSA-N 2 0 398.595 3.365 20 30 GGEDRP [NH2+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262347880 1433935827 /nfs/dbraw/zinc/93/58/27/1433935827.db2.gz UFAUBVJSWSKNKS-INIZCTEOSA-N 2 0 386.521 3.473 20 30 GGEDRP [NH2+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262347885 1433935888 /nfs/dbraw/zinc/93/58/88/1433935888.db2.gz UFAUBVJSWSKNKS-MRXNPFEDSA-N 2 0 386.521 3.473 20 30 GGEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CC[NH+](C2CCCC2)CC1 ZINC000262379476 1433937266 /nfs/dbraw/zinc/93/72/66/1433937266.db2.gz KFJSWVPHSKCXCH-ZCNNSNEGSA-N 2 0 376.589 3.152 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000262389168 1433937491 /nfs/dbraw/zinc/93/74/91/1433937491.db2.gz LVDNEITVRHFBIR-BDTNDASRSA-N 2 0 398.595 3.328 20 30 GGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262434560 1433938902 /nfs/dbraw/zinc/93/89/02/1433938902.db2.gz SWYMDZBHDNAHNG-WAARBJQMSA-N 2 0 390.597 3.110 20 30 GGEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000262465867 1433940117 /nfs/dbraw/zinc/94/01/17/1433940117.db2.gz NOXYZLDXKCYKQH-SFHVURJKSA-N 2 0 380.492 3.097 20 30 GGEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262544659 1433942899 /nfs/dbraw/zinc/94/28/99/1433942899.db2.gz YXHXEMWKLUREBP-SLFFLAALSA-N 2 0 376.589 3.155 20 30 GGEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262544664 1433942989 /nfs/dbraw/zinc/94/29/89/1433942989.db2.gz YXHXEMWKLUREBP-XUVXKRRUSA-N 2 0 376.589 3.155 20 30 GGEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N(C)Cc1ccc(Cl)s1 ZINC000262774563 1433955144 /nfs/dbraw/zinc/95/51/44/1433955144.db2.gz ITHJYDMDTUDSNO-UHFFFAOYSA-N 2 0 384.977 3.054 20 30 GGEDRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000264974208 1434170075 /nfs/dbraw/zinc/17/00/75/1434170075.db2.gz RWNCGVWXHQXENK-WOJBJXKFSA-N 2 0 395.551 3.443 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267350337 1434424840 /nfs/dbraw/zinc/42/48/40/1434424840.db2.gz PHMMXYRCDSDTOV-SIKLNZKXSA-N 2 0 384.568 3.237 20 30 GGEDRP CC[NH+](CC)CCOc1ccccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000267382356 1434427792 /nfs/dbraw/zinc/42/77/92/1434427792.db2.gz KUDZXQMAEIKDLX-UHFFFAOYSA-N 2 0 389.544 3.106 20 30 GGEDRP C=C(C)COc1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)ccc1OC ZINC000270724048 1434766663 /nfs/dbraw/zinc/76/66/63/1434766663.db2.gz OYRBHGGFRJRHBA-UHFFFAOYSA-N 2 0 385.508 3.275 20 30 GGEDRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000271729969 1434846682 /nfs/dbraw/zinc/84/66/82/1434846682.db2.gz ZORZFFPPZSNMMP-GOSISDBHSA-N 2 0 376.504 3.121 20 30 GGEDRP COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)ccc1C#N ZINC000281823006 1435823202 /nfs/dbraw/zinc/82/32/02/1435823202.db2.gz XCTQHFGXORBWID-MRXNPFEDSA-N 2 0 382.483 3.309 20 30 GGEDRP C[NH+](CCCC[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736793167 599322079 /nfs/dbraw/zinc/32/20/79/599322079.db2.gz SXRUSOCWOVLGRQ-UHFFFAOYSA-N 2 0 389.507 3.082 20 30 GGEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047703134 1404896047 /nfs/dbraw/zinc/89/60/47/1404896047.db2.gz ZFJFHIXUHVKDSB-FQEVSTJZSA-N 2 0 392.547 3.253 20 30 GGEDRP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048564567 1405226932 /nfs/dbraw/zinc/22/69/32/1405226932.db2.gz PMMNSVTUSDKZAP-JOCHJYFZSA-N 2 0 385.552 3.080 20 30 GGEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000057843979 1407735971 /nfs/dbraw/zinc/73/59/71/1407735971.db2.gz ZCTPEQYULYIYFZ-HSZRJFAPSA-N 2 0 393.531 3.142 20 30 GGEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000057843976 1407736245 /nfs/dbraw/zinc/73/62/45/1407736245.db2.gz ZCTPEQYULYIYFZ-QHCPKHFHSA-N 2 0 393.531 3.142 20 30 GGEDRP C=C(C)COc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1OC ZINC000057961607 1407762253 /nfs/dbraw/zinc/76/22/53/1407762253.db2.gz ZFGPDPMIRWNVHO-HXUWFJFHSA-N 2 0 375.557 3.012 20 30 GGEDRP Cc1cc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccccc2)c(C)s1 ZINC000063441657 1408354737 /nfs/dbraw/zinc/35/47/37/1408354737.db2.gz VBANJXGXKQJJLW-UHFFFAOYSA-O 2 0 388.582 3.275 20 30 GGEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905311 1408948014 /nfs/dbraw/zinc/94/80/14/1408948014.db2.gz XEYYQMNPIYWZRA-HXUWFJFHSA-N 2 0 392.547 3.253 20 30 GGEDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905974 1408948612 /nfs/dbraw/zinc/94/86/12/1408948612.db2.gz PHAFQBLFMYXVLG-UHFFFAOYSA-N 2 0 392.547 3.254 20 30 GGEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000176720003 1428432610 /nfs/dbraw/zinc/43/26/10/1428432610.db2.gz NICMVURXOXDDPF-LJQANCHMSA-N 2 0 382.533 3.357 20 30 GGEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868889 1409854436 /nfs/dbraw/zinc/85/44/36/1409854436.db2.gz MSHOCPZUWRNJAJ-OAQYLSRUSA-N 2 0 376.504 3.341 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080119853 1410001156 /nfs/dbraw/zinc/00/11/56/1410001156.db2.gz OTTBMKDABKCCOH-SIKLNZKXSA-N 2 0 384.568 3.379 20 30 GGEDRP CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC2(C1)CCCCC2 ZINC000086554712 1410044820 /nfs/dbraw/zinc/04/48/20/1410044820.db2.gz VURSFCSPALZPGC-UHFFFAOYSA-N 2 0 376.589 3.253 20 30 GGEDRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc(C#N)cc2)c1)C1CCOCC1 ZINC000102781484 1410750358 /nfs/dbraw/zinc/75/03/58/1410750358.db2.gz KGIFFCANDWWCGS-UHFFFAOYSA-N 2 0 379.504 3.338 20 30 GGEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(-c2csc(C)n2)s1 ZINC000104158383 1410885941 /nfs/dbraw/zinc/88/59/41/1410885941.db2.gz BRCCKENRXAFXNF-AWEZNQCLSA-N 2 0 377.583 3.111 20 30 GGEDRP CC[NH+]1CCN(CC[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000104168491 1410886159 /nfs/dbraw/zinc/88/61/59/1410886159.db2.gz ZXWCOZZKWGCWRK-UHFFFAOYSA-N 2 0 379.552 3.190 20 30 GGEDRP CCc1cccc(NC(=[NH2+])NCc2ccc(CN3CCC[N@H+](C)CC3)cc2)c1 ZINC000104180963 1410886290 /nfs/dbraw/zinc/88/62/90/1410886290.db2.gz RIOGOHUSOLYHHC-UHFFFAOYSA-N 2 0 379.552 3.313 20 30 GGEDRP CC(C)(CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCc2ccccc2C1 ZINC000104167194 1410886312 /nfs/dbraw/zinc/88/63/12/1410886312.db2.gz JSUDZKHOKITGEU-UHFFFAOYSA-N 2 0 394.519 3.411 20 30 GGEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000104167022 1410886367 /nfs/dbraw/zinc/88/63/67/1410886367.db2.gz AJERWZKYZLSWKW-IBGZPJMESA-N 2 0 384.524 3.384 20 30 GGEDRP CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000105495838 1411072617 /nfs/dbraw/zinc/07/26/17/1411072617.db2.gz DQKSEIUHSNTLQW-UHFFFAOYSA-N 2 0 392.547 3.283 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000106261590 1411185540 /nfs/dbraw/zinc/18/55/40/1411185540.db2.gz VRHUWZLYOAYIER-UHFFFAOYSA-N 2 0 388.531 3.130 20 30 GGEDRP C=CCOc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000108421121 1411498213 /nfs/dbraw/zinc/49/82/13/1411498213.db2.gz DFNAXHJSASJAAG-JOCHJYFZSA-N 2 0 393.531 3.239 20 30 GGEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000113325231 1412292247 /nfs/dbraw/zinc/29/22/47/1412292247.db2.gz MHZXCKRHGFRUSE-UHFFFAOYSA-N 2 0 377.532 3.126 20 30 GGEDRP C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000114747414 1412517203 /nfs/dbraw/zinc/51/72/03/1412517203.db2.gz PLQDIPJWUPWUNL-OALUTQOASA-N 2 0 390.531 3.378 20 30 GGEDRP C[NH+](C)CC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000116439076 1412860692 /nfs/dbraw/zinc/86/06/92/1412860692.db2.gz HPUMSFYBIRIPNC-NRFANRHFSA-N 2 0 399.583 3.142 20 30 GGEDRP C[NH+]=C(NCc1ccc(C)nc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000119506670 1413469776 /nfs/dbraw/zinc/46/97/76/1413469776.db2.gz IIKQMUYEFNBPAX-XZOQPEGZSA-N 2 0 391.563 3.452 20 30 GGEDRP C[NH+]1CCC(NC(=S)C(C(=O)c2cccc(Cl)c2)[n+]2ccccc2)CC1 ZINC000120917241 1413947978 /nfs/dbraw/zinc/94/79/78/1413947978.db2.gz QWLMIKCVEZKRLA-UHFFFAOYSA-O 2 0 388.944 3.250 20 30 GGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000177508777 1428775222 /nfs/dbraw/zinc/77/52/22/1428775222.db2.gz XDSGGPLWOYEDNK-RTBURBONSA-N 2 0 398.551 3.098 20 30 GGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000177508744 1428775392 /nfs/dbraw/zinc/77/53/92/1428775392.db2.gz XDSGGPLWOYEDNK-KDURUIRLSA-N 2 0 398.551 3.098 20 30 GGEDRP C=C(C)C[NH+]1CCC(Nc2cc(NC3CC[NH+](CC(=C)C)CC3)ncn2)CC1 ZINC000124089542 1414883230 /nfs/dbraw/zinc/88/32/30/1414883230.db2.gz LMOOWDHPSPVLQM-UHFFFAOYSA-N 2 0 384.572 3.381 20 30 GGEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000126205295 1415384341 /nfs/dbraw/zinc/38/43/41/1415384341.db2.gz UYQFNUBCJSJYGQ-UHFFFAOYSA-N 2 0 379.508 3.216 20 30 GGEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000126681384 1415525054 /nfs/dbraw/zinc/52/50/54/1415525054.db2.gz UTCRSQTYWAHOSJ-FQEVSTJZSA-N 2 0 377.532 3.297 20 30 GGEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000126681593 1415525495 /nfs/dbraw/zinc/52/54/95/1415525495.db2.gz UTCRSQTYWAHOSJ-HXUWFJFHSA-N 2 0 377.532 3.297 20 30 GGEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000127113486 1415663656 /nfs/dbraw/zinc/66/36/56/1415663656.db2.gz MSCTYVTZTWKTJK-UHFFFAOYSA-N 2 0 389.971 3.108 20 30 GGEDRP N#CC1(c2ccccc2)CC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000129652555 1416243521 /nfs/dbraw/zinc/24/35/21/1416243521.db2.gz CCWNJNAZJBFCGT-WLXPTCNVSA-N 2 0 375.516 3.357 20 30 GGEDRP N#CC1(c2ccccc2)CC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000129652369 1416243657 /nfs/dbraw/zinc/24/36/57/1416243657.db2.gz CCWNJNAZJBFCGT-NSQNTRMNSA-N 2 0 375.516 3.357 20 30 GGEDRP Cc1nccn1CCC[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000130361228 1416364508 /nfs/dbraw/zinc/36/45/08/1416364508.db2.gz JOVTVFGLYNKLAI-UHFFFAOYSA-N 2 0 387.915 3.422 20 30 GGEDRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cc(C#N)cs2)CC1)Cc1ccccc1 ZINC000130909522 1416479486 /nfs/dbraw/zinc/47/94/86/1416479486.db2.gz RPLYQMWZPBUOGC-UHFFFAOYSA-N 2 0 396.560 3.080 20 30 GGEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179395540 1429357430 /nfs/dbraw/zinc/35/74/30/1429357430.db2.gz VGPHHIUXMOSBBG-IBGZPJMESA-N 2 0 397.567 3.351 20 30 GGEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000179397589 1429358338 /nfs/dbraw/zinc/35/83/38/1429358338.db2.gz IOWDUVFTFUREGI-UHFFFAOYSA-N 2 0 377.492 3.130 20 30 GGEDRP C[N@H+](CCN1CC[NH+](CCCOc2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000156307234 1423769563 /nfs/dbraw/zinc/76/95/63/1423769563.db2.gz QBBZOVMOVHOGLA-UHFFFAOYSA-N 2 0 392.547 3.077 20 30 GGEDRP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)N1CC[C@]2(CCOC2)C1 ZINC000158081398 1424159992 /nfs/dbraw/zinc/15/99/92/1424159992.db2.gz UXBGTJWBGOEMMQ-CUWPLCDZSA-N 2 0 390.597 3.209 20 30 GGEDRP CCCC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000158609971 1424301711 /nfs/dbraw/zinc/30/17/11/1424301711.db2.gz ITVKNKNTKMZKLX-UHFFFAOYSA-N 2 0 397.567 3.040 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000160084850 1424572506 /nfs/dbraw/zinc/57/25/06/1424572506.db2.gz SDDDRUVIOHQDSE-JOCHJYFZSA-N 2 0 384.568 3.333 20 30 GGEDRP C[NH+](C)CC(C)(C)CNC(=S)C(C(=O)c1ccc(F)cc1)[n+]1ccccc1 ZINC000170715451 1425314346 /nfs/dbraw/zinc/31/43/46/1425314346.db2.gz XHAZTSQMWUMZHI-UHFFFAOYSA-O 2 0 388.532 3.229 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000171709495 1425798422 /nfs/dbraw/zinc/79/84/22/1425798422.db2.gz XNRPYLNPODYKOS-UHFFFAOYSA-N 2 0 384.568 3.368 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000172584947 1426099533 /nfs/dbraw/zinc/09/95/33/1426099533.db2.gz BKHYVRFSBLHZAE-UGKGYDQZSA-N 2 0 384.568 3.331 20 30 GGEDRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1C#N ZINC000174257287 1427072932 /nfs/dbraw/zinc/07/29/32/1427072932.db2.gz HDIQXKABLDBRKS-QZTJIDSGSA-N 2 0 379.504 3.466 20 30 GGEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000174908030 1427440405 /nfs/dbraw/zinc/44/04/05/1427440405.db2.gz IEIKFPGOSYVETQ-FQEVSTJZSA-N 2 0 385.556 3.368 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000180351936 1429843209 /nfs/dbraw/zinc/84/32/09/1429843209.db2.gz HLZQNEFUSUVJFW-UHFFFAOYSA-N 2 0 399.583 3.370 20 30 GGEDRP CN(CCC#N)c1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000180797323 1430045954 /nfs/dbraw/zinc/04/59/54/1430045954.db2.gz AJJIQVQUZPEMIB-UHFFFAOYSA-N 2 0 384.568 3.361 20 30 GGEDRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181524448 1430315159 /nfs/dbraw/zinc/31/51/59/1430315159.db2.gz INXMKJSLUJBPIY-UHFFFAOYSA-N 2 0 392.547 3.253 20 30 GGEDRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(OCC#N)cc1 ZINC000181541439 1430317772 /nfs/dbraw/zinc/31/77/72/1430317772.db2.gz RZXZURMPKICZBB-IBGZPJMESA-N 2 0 378.520 3.187 20 30 GGEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181633346 1430331654 /nfs/dbraw/zinc/33/16/54/1430331654.db2.gz RMLDVDLIYXFFEN-SFHVURJKSA-N 2 0 390.547 3.043 20 30 GGEDRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000181973982 1430390692 /nfs/dbraw/zinc/39/06/92/1430390692.db2.gz UNECFAQVNDAKHB-GOSISDBHSA-N 2 0 376.504 3.235 20 30 GGEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000182225260 1430433058 /nfs/dbraw/zinc/43/30/58/1430433058.db2.gz BGAKQPJIQHBANA-XMSQKQJNSA-N 2 0 379.504 3.396 20 30 GGEDRP C[NH+]1CCN(c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)CC1 ZINC000182638220 1430507276 /nfs/dbraw/zinc/50/72/76/1430507276.db2.gz RMHYPHXZRMYNDM-UHFFFAOYSA-N 2 0 389.547 3.387 20 30 GGEDRP C[C@@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000182691437 1430518541 /nfs/dbraw/zinc/51/85/41/1430518541.db2.gz VVWFNAYPIFQPLL-FQEVSTJZSA-N 2 0 397.567 3.040 20 30 GGEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000184740916 1430961612 /nfs/dbraw/zinc/96/16/12/1430961612.db2.gz HFQLGAGFPMXNDI-KNKQGSTJSA-N 2 0 393.531 3.044 20 30 GGEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000185863137 1431255508 /nfs/dbraw/zinc/25/55/08/1431255508.db2.gz ACOKBAHNVFWWEC-FQEVSTJZSA-N 2 0 392.547 3.253 20 30 GGEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1OC ZINC000187055695 1431600901 /nfs/dbraw/zinc/60/09/01/1431600901.db2.gz HXUPIRQEIDJIAD-IBGZPJMESA-N 2 0 382.508 3.341 20 30 GGEDRP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000189969064 1432292254 /nfs/dbraw/zinc/29/22/54/1432292254.db2.gz GLBMPLLTYNYFFU-LJQANCHMSA-N 2 0 382.552 3.323 20 30 GGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000237493846 1433406076 /nfs/dbraw/zinc/40/60/76/1433406076.db2.gz QYMHDVXWTVDTEO-IBGZPJMESA-N 2 0 378.520 3.015 20 30 GGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000237598621 1433411857 /nfs/dbraw/zinc/41/18/57/1433411857.db2.gz QYMHDVXWTVDTEO-LJQANCHMSA-N 2 0 378.520 3.015 20 30 GGEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000246050898 1433561565 /nfs/dbraw/zinc/56/15/65/1433561565.db2.gz QCDPOFJUQHQCQB-SIKLNZKXSA-N 2 0 385.552 3.274 20 30 GGEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000246050889 1433561720 /nfs/dbraw/zinc/56/17/20/1433561720.db2.gz QCDPOFJUQHQCQB-DENIHFKCSA-N 2 0 385.552 3.274 20 30 GGEDRP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3CCC[NH+](C)C3)sc2C1 ZINC000246127929 1433572292 /nfs/dbraw/zinc/57/22/92/1433572292.db2.gz IFPDUESHRBYNOY-HOTGVXAUSA-N 2 0 388.581 3.347 20 30 GGEDRP C[NH+]=C(NCc1nc(C)cs1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246224049 1433583892 /nfs/dbraw/zinc/58/38/92/1433583892.db2.gz PKIJRWXTGZSVEJ-WMLDXEAASA-N 2 0 377.583 3.261 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000246582219 1433634828 /nfs/dbraw/zinc/63/48/28/1433634828.db2.gz AUMJFXNHEQCHAF-NGRWLJPCSA-N 2 0 384.568 3.093 20 30 GGEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000248394025 1433794773 /nfs/dbraw/zinc/79/47/73/1433794773.db2.gz HFQLGAGFPMXNDI-WOIUINJBSA-N 2 0 393.531 3.044 20 30 GGEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000261804145 1433905024 /nfs/dbraw/zinc/90/50/24/1433905024.db2.gz PHUBJHIYCMEVIK-CYFREDJKSA-N 2 0 380.580 3.416 20 30 GGEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000261859257 1433907888 /nfs/dbraw/zinc/90/78/88/1433907888.db2.gz YEIVNWAONALDOA-MIUGBVLSSA-N 2 0 398.595 3.408 20 30 GGEDRP CC[NH+]=C(NC[C@]1(C)CCOC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000262009138 1433921577 /nfs/dbraw/zinc/92/15/77/1433921577.db2.gz WGCRDVUYTIYBQZ-ZDXQCDESSA-N 2 0 398.595 3.365 20 30 GGEDRP [NH2+]=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)N1CCSCC1 ZINC000262026927 1433923108 /nfs/dbraw/zinc/92/31/08/1433923108.db2.gz ZVIHUVJQPVPFJM-UHFFFAOYSA-N 2 0 391.544 3.462 20 30 GGEDRP [NH2+]=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262270489 1433933190 /nfs/dbraw/zinc/93/31/90/1433933190.db2.gz KJYVRFONEBZRKY-IBGZPJMESA-N 2 0 380.492 3.412 20 30 GGEDRP [NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)Nc1cccc2c1CCCC2 ZINC000262287399 1433933720 /nfs/dbraw/zinc/93/37/20/1433933720.db2.gz XVPHOSFUHMPZNQ-FQEVSTJZSA-N 2 0 378.520 3.059 20 30 GGEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262396926 1433937678 /nfs/dbraw/zinc/93/76/78/1433937678.db2.gz NCAFUHAFPXAQQE-XUVXKRRUSA-N 2 0 376.589 3.152 20 30 GGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)N1CCC2(C1)CCOCC2 ZINC000262424599 1433938592 /nfs/dbraw/zinc/93/85/92/1433938592.db2.gz RLTKLSODSWKBQW-PKOBYXMFSA-N 2 0 390.597 3.209 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262464590 1433940221 /nfs/dbraw/zinc/94/02/21/1433940221.db2.gz YCMCHJDCCNGWTA-PWRODBHTSA-N 2 0 384.568 3.020 20 30 GGEDRP C[NH+]=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262483768 1433941027 /nfs/dbraw/zinc/94/10/27/1433941027.db2.gz SCKUSDURQHLZNM-RBUKOAKNSA-N 2 0 389.613 3.021 20 30 GGEDRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H]1CCOc2ccccc21 ZINC000262493068 1433941391 /nfs/dbraw/zinc/94/13/91/1433941391.db2.gz JQEXGOLYYCNAPX-APWZRJJASA-N 2 0 384.549 3.388 20 30 GGEDRP [NH2+]=C(NC[C@@H]1CCOc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262513870 1433942028 /nfs/dbraw/zinc/94/20/28/1433942028.db2.gz FMHUMMXLNYQJFT-IBGZPJMESA-N 2 0 378.520 3.122 20 30 GGEDRP CC[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262757789 1433953833 /nfs/dbraw/zinc/95/38/33/1433953833.db2.gz BZSSDSRHFISOJJ-GOSISDBHSA-N 2 0 385.943 3.275 20 30 GGEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N1CCC2(C1)CCOCC2 ZINC000262802383 1433957242 /nfs/dbraw/zinc/95/72/42/1433957242.db2.gz RFSZXRUGXDBKJB-HXUWFJFHSA-N 2 0 376.589 3.109 20 30 GGEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262809969 1433957792 /nfs/dbraw/zinc/95/77/92/1433957792.db2.gz UEQJXCZFSSBOBH-UHFFFAOYSA-N 2 0 387.355 3.111 20 30 GGEDRP [NH2+]=C(NCc1ccc2c(n1)CCCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000263004787 1433975812 /nfs/dbraw/zinc/97/58/12/1433975812.db2.gz XTUHAVXJFCDYEX-UHFFFAOYSA-N 2 0 377.536 3.029 20 30 GGEDRP [NH2+]=C(NC[C@H]1CSc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000263061225 1433981680 /nfs/dbraw/zinc/98/16/80/1433981680.db2.gz FNMHXYCERNDDNO-SFHVURJKSA-N 2 0 380.561 3.445 20 30 GGEDRP COc1ccc(NC(=[NH2+])NCC2CC[NH+](Cc3cccs3)CC2)cc1OC ZINC000264073710 1434069433 /nfs/dbraw/zinc/06/94/33/1434069433.db2.gz DZOAKWGKRDMNDV-UHFFFAOYSA-N 2 0 388.537 3.404 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000264359619 1434101585 /nfs/dbraw/zinc/10/15/85/1434101585.db2.gz GFDDHROEFHYNKT-UHFFFAOYSA-N 2 0 384.568 3.299 20 30 GGEDRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000264974206 1434169976 /nfs/dbraw/zinc/16/99/76/1434169976.db2.gz RWNCGVWXHQXENK-PMACEKPBSA-N 2 0 395.551 3.443 20 30 GGEDRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000264974204 1434170128 /nfs/dbraw/zinc/17/01/28/1434170128.db2.gz RWNCGVWXHQXENK-BGYRXZFFSA-N 2 0 395.551 3.443 20 30 GGEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCC(O)CC1)Nc1ccc2c(c1)CCC2 ZINC000267446462 1434434227 /nfs/dbraw/zinc/43/42/27/1434434227.db2.gz QAKWDCDAJGCEQV-UHFFFAOYSA-N 2 0 378.520 3.059 20 30 GGEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278701972 1435415203 /nfs/dbraw/zinc/41/52/03/1435415203.db2.gz QWMAVSWJHWLJSN-IBGZPJMESA-N 2 0 380.540 3.316 20 30 GGEDRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000278839617 1435429531 /nfs/dbraw/zinc/42/95/31/1435429531.db2.gz USJKWHHBTXRUFJ-DHIUTWEWSA-N 2 0 390.531 3.496 20 30 GGEDRP COc1ccc([C@@H](C[NH+](C)C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000284243791 1436006671 /nfs/dbraw/zinc/00/66/71/1436006671.db2.gz FGDQDUWNSSKPTQ-XMMPIXPASA-N 2 0 392.547 3.424 20 30 GGEDRP C=CCOc1c(Br)cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1OC ZINC000271776992 565267770 /nfs/dbraw/zinc/26/77/70/565267770.db2.gz CRVMSBGIWUDRBO-UHFFFAOYSA-N 2 0 381.314 3.374 20 30 GGEDRP C[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585804 608466640 /nfs/dbraw/zinc/46/66/40/608466640.db2.gz UJOPCBNDIIYSLZ-OAZXXZECSA-N 2 0 387.491 3.296 20 30 GGEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000046313650 1404360086 /nfs/dbraw/zinc/36/00/86/1404360086.db2.gz WGBHUBKRNNVDGJ-JOCHJYFZSA-N 2 0 399.583 3.142 20 30 GGEDRP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000046338948 1404369963 /nfs/dbraw/zinc/36/99/63/1404369963.db2.gz QIJRSHNLZJAOCN-PMACEKPBSA-N 2 0 397.567 3.038 20 30 GGEDRP CC[NH+]1CCN(CCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000060975881 1408059953 /nfs/dbraw/zinc/05/99/53/1408059953.db2.gz UUXVSKUUKJDWKW-UHFFFAOYSA-N 2 0 392.547 3.254 20 30 GGEDRP C[NH+]1CCC(NC(=S)C(C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)CC1 ZINC000063441623 1408354969 /nfs/dbraw/zinc/35/49/69/1408354969.db2.gz GOEMPIDXDUZELL-UHFFFAOYSA-O 2 0 394.564 3.085 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000176498989 1428341121 /nfs/dbraw/zinc/34/11/21/1428341121.db2.gz QKKUQBYHWIBOQT-NRFANRHFSA-N 2 0 384.568 3.190 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000176501692 1428341787 /nfs/dbraw/zinc/34/17/87/1428341787.db2.gz LTRRAKJDZKZOAH-FQEVSTJZSA-N 2 0 384.568 3.333 20 30 GGEDRP CC[NH+]1CCN(CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905289 1408947758 /nfs/dbraw/zinc/94/77/58/1408947758.db2.gz PFGCPXLQEMWPAA-UHFFFAOYSA-N 2 0 392.547 3.254 20 30 GGEDRP Cc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2cccc(C)c2)s1 ZINC000067952263 1409263057 /nfs/dbraw/zinc/26/30/57/1409263057.db2.gz BOUVVIPDMCDEBU-UHFFFAOYSA-O 2 0 388.582 3.275 20 30 GGEDRP Cc1ccc[n+](C(C(=O)c2ccccc2C)C(=S)NC2CC[NH+](C)CC2)c1 ZINC000067952267 1409263127 /nfs/dbraw/zinc/26/31/27/1409263127.db2.gz RMPDYCFZQJKQNB-UHFFFAOYSA-O 2 0 382.553 3.214 20 30 GGEDRP C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868418 1409854289 /nfs/dbraw/zinc/85/42/89/1409854289.db2.gz JQAXXAFUGOSEAI-HXUWFJFHSA-N 2 0 376.504 3.341 20 30 GGEDRP C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072869300 1409854318 /nfs/dbraw/zinc/85/43/18/1409854318.db2.gz DZNZNWNAMYZWJL-NRFANRHFSA-N 2 0 376.504 3.341 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080119863 1410001056 /nfs/dbraw/zinc/00/10/56/1410001056.db2.gz OTTBMKDABKCCOH-UGKGYDQZSA-N 2 0 384.568 3.379 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000080677145 1410010202 /nfs/dbraw/zinc/01/02/02/1410010202.db2.gz YVAKBZPFXUBLSU-QFIPXVFZSA-N 2 0 384.568 3.333 20 30 GGEDRP C=CCc1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc(OC)c1O ZINC000092587196 1410176457 /nfs/dbraw/zinc/17/64/57/1410176457.db2.gz AXJKUJCPYROXRJ-ROUUACIJSA-N 2 0 388.552 3.451 20 30 GGEDRP C=CCc1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc(OC)c1O ZINC000092587197 1410177294 /nfs/dbraw/zinc/17/72/94/1410177294.db2.gz AXJKUJCPYROXRJ-QZTJIDSGSA-N 2 0 388.552 3.451 20 30 GGEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(-c2csc(C)n2)s1 ZINC000104158380 1410885887 /nfs/dbraw/zinc/88/58/87/1410885887.db2.gz BRCCKENRXAFXNF-CQSZACIVSA-N 2 0 377.583 3.111 20 30 GGEDRP CCOc1ccc(Oc2cc(CNC(=[NH2+])NC[C@@H]3CCC[N@@H+]3CC)ccn2)cc1 ZINC000104164787 1410886165 /nfs/dbraw/zinc/88/61/65/1410886165.db2.gz AUDVMYUEYLMLKZ-SFHVURJKSA-N 2 0 397.523 3.161 20 30 GGEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000106829649 1411308110 /nfs/dbraw/zinc/30/81/10/1411308110.db2.gz IYQUMLVXBGDEFA-UHFFFAOYSA-N 2 0 387.955 3.013 20 30 GGEDRP C=CCOc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000108421117 1411497871 /nfs/dbraw/zinc/49/78/71/1411497871.db2.gz DFNAXHJSASJAAG-QFIPXVFZSA-N 2 0 393.531 3.239 20 30 GGEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000113337663 1412293868 /nfs/dbraw/zinc/29/38/68/1412293868.db2.gz KWGZUDMVNHAAAS-UHFFFAOYSA-N 2 0 378.516 3.335 20 30 GGEDRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000113404843 1412303464 /nfs/dbraw/zinc/30/34/64/1412303464.db2.gz OQADKWGQDUXDHZ-QFIPXVFZSA-N 2 0 397.567 3.040 20 30 GGEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177295123 1428675846 /nfs/dbraw/zinc/67/58/46/1428675846.db2.gz QHHYBABFGYHYGB-UHFFFAOYSA-N 2 0 389.971 3.108 20 30 GGEDRP C[NH+]=C(NCc1ccc(C)nc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000119506370 1413469256 /nfs/dbraw/zinc/46/92/56/1413469256.db2.gz IIKQMUYEFNBPAX-DHIUTWEWSA-N 2 0 391.563 3.452 20 30 GGEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000177511996 1428777256 /nfs/dbraw/zinc/77/72/56/1428777256.db2.gz UOPOMYSIXJGIHD-OALUTQOASA-N 2 0 398.551 3.098 20 30 GGEDRP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121887660 1414291402 /nfs/dbraw/zinc/29/14/02/1414291402.db2.gz AWTWSDAKVJOUKA-QFIPXVFZSA-N 2 0 385.552 3.080 20 30 GGEDRP C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000125277760 1415150501 /nfs/dbraw/zinc/15/05/01/1415150501.db2.gz PSMIGJAIDCZGPE-INIZCTEOSA-N 2 0 387.959 3.357 20 30 GGEDRP C=C(C)COc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)ccc1OC ZINC000126029481 1415340319 /nfs/dbraw/zinc/34/03/19/1415340319.db2.gz WRSGADPUXFGVHD-UHFFFAOYSA-N 2 0 387.568 3.298 20 30 GGEDRP N#CC1(c2ccccc2)CC([NH2+]Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000126187566 1415379658 /nfs/dbraw/zinc/37/96/58/1415379658.db2.gz WQZVJAGLLPWONH-UHFFFAOYSA-N 2 0 391.515 3.111 20 30 GGEDRP N#CC1(c2ccccc2)CC([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000127526803 1415804880 /nfs/dbraw/zinc/80/48/80/1415804880.db2.gz UGZLIWDHICXELH-UHFFFAOYSA-N 2 0 375.516 3.357 20 30 GGEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)Nc1cccc2c1CCCC2 ZINC000178567097 1429108229 /nfs/dbraw/zinc/10/82/29/1429108229.db2.gz XBSJENBIVDXSMP-UHFFFAOYSA-N 2 0 392.547 3.449 20 30 GGEDRP C=CCOc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000131889442 1416642829 /nfs/dbraw/zinc/64/28/29/1416642829.db2.gz GXDIGZIBUDZECC-UHFFFAOYSA-N 2 0 387.568 3.167 20 30 GGEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1cccc(C#N)c1 ZINC000179389223 1429354498 /nfs/dbraw/zinc/35/44/98/1429354498.db2.gz YTJZGGJRCYAMCG-UHFFFAOYSA-N 2 0 377.492 3.130 20 30 GGEDRP CN(C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1(C#N)CCCCC1 ZINC000179392299 1429356016 /nfs/dbraw/zinc/35/60/16/1429356016.db2.gz XBMNRZJXHKTORL-UHFFFAOYSA-N 2 0 397.567 3.305 20 30 GGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C(C)C ZINC000156579364 1423831640 /nfs/dbraw/zinc/83/16/40/1423831640.db2.gz RAUCIVQHSYEUQF-SFTDATJTSA-N 2 0 376.589 3.345 20 30 GGEDRP C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000161646967 1424732749 /nfs/dbraw/zinc/73/27/49/1424732749.db2.gz WZEDVGHEYCWHIP-SFHVURJKSA-N 2 0 393.535 3.213 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000165014282 1425156085 /nfs/dbraw/zinc/15/60/85/1425156085.db2.gz CAJLCONPTRUVFR-YCZSINBZSA-N 2 0 396.579 3.335 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000171709529 1425798281 /nfs/dbraw/zinc/79/82/81/1425798281.db2.gz LORHQDCWDWOLBQ-IBGZPJMESA-N 2 0 384.568 3.368 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CC1 ZINC000171738553 1425807458 /nfs/dbraw/zinc/80/74/58/1425807458.db2.gz WWBIPEUSWVPKMK-UHFFFAOYSA-N 2 0 378.948 3.064 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000173200217 1426389730 /nfs/dbraw/zinc/38/97/30/1426389730.db2.gz OCTLRYAUYYPAAX-OAQYLSRUSA-N 2 0 384.568 3.190 20 30 GGEDRP COc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1C#N ZINC000174280446 1427082524 /nfs/dbraw/zinc/08/25/24/1427082524.db2.gz FIHVTWVVVMDMPK-UHFFFAOYSA-N 2 0 378.520 3.259 20 30 GGEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000174288710 1427087145 /nfs/dbraw/zinc/08/71/45/1427087145.db2.gz XHNGGBOPXFKPDT-UHFFFAOYSA-N 2 0 393.575 3.379 20 30 GGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000175018776 1427501351 /nfs/dbraw/zinc/50/13/51/1427501351.db2.gz VOKCATNQTDZUKE-SFHVURJKSA-N 2 0 379.504 3.224 20 30 GGEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176245803 1428191972 /nfs/dbraw/zinc/19/19/72/1428191972.db2.gz VOWFJNCZDZMNPF-OAQYLSRUSA-N 2 0 382.552 3.103 20 30 GGEDRP N#Cc1ccc(CN2CCC([NH2+]CCc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000181403522 1430289595 /nfs/dbraw/zinc/28/95/95/1430289595.db2.gz LKGLPMLYBPIYJM-UHFFFAOYSA-N 2 0 377.488 3.126 20 30 GGEDRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181478451 1430307650 /nfs/dbraw/zinc/30/76/50/1430307650.db2.gz XDDGZAUBLFEVON-NRFANRHFSA-N 2 0 392.547 3.447 20 30 GGEDRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(OCC#N)cc1 ZINC000181541459 1430317756 /nfs/dbraw/zinc/31/77/56/1430317756.db2.gz RZXZURMPKICZBB-LJQANCHMSA-N 2 0 378.520 3.187 20 30 GGEDRP CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000184946418 1431027736 /nfs/dbraw/zinc/02/77/36/1431027736.db2.gz QKZMCRIFNDJDCF-JOCHJYFZSA-N 2 0 378.520 3.189 20 30 GGEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000185863159 1431255469 /nfs/dbraw/zinc/25/54/69/1431255469.db2.gz ACOKBAHNVFWWEC-HXUWFJFHSA-N 2 0 392.547 3.253 20 30 GGEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000186310747 1431379174 /nfs/dbraw/zinc/37/91/74/1431379174.db2.gz IAWHHBWKCNWCMG-UHFFFAOYSA-N 2 0 382.552 3.071 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000187837193 1431818335 /nfs/dbraw/zinc/81/83/35/1431818335.db2.gz KIXDHLPSAHEWFK-QFIPXVFZSA-N 2 0 384.568 3.237 20 30 GGEDRP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1ccc2c(c1)CCC2 ZINC000190536754 1432400104 /nfs/dbraw/zinc/40/01/04/1432400104.db2.gz ZPSKPXIEVYKBRV-QFIPXVFZSA-N 2 0 378.520 3.193 20 30 GGEDRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245445518 1433469047 /nfs/dbraw/zinc/46/90/47/1433469047.db2.gz KKVUAEHRYWALKN-GGAORHGYSA-N 2 0 388.515 3.117 20 30 GGEDRP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)N1CC[C@@]2(CCOC2)C1 ZINC000245684925 1433499119 /nfs/dbraw/zinc/49/91/19/1433499119.db2.gz UXBGTJWBGOEMMQ-HFSMHLIXSA-N 2 0 390.597 3.209 20 30 GGEDRP CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245721707 1433505923 /nfs/dbraw/zinc/50/59/23/1433505923.db2.gz PTVUYSKTPHNFOS-FCHUYYIVSA-N 2 0 382.552 3.162 20 30 GGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000245968292 1433551752 /nfs/dbraw/zinc/55/17/52/1433551752.db2.gz ZICYJFLLLSDEMP-RDPSFJRHSA-N 2 0 398.595 3.249 20 30 GGEDRP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000248388944 1433793098 /nfs/dbraw/zinc/79/30/98/1433793098.db2.gz AENILTILUSSHBV-XMSQKQJNSA-N 2 0 378.520 3.360 20 30 GGEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000248394018 1433794647 /nfs/dbraw/zinc/79/46/47/1433794647.db2.gz HFQLGAGFPMXNDI-PDXXHEQOSA-N 2 0 393.531 3.044 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000261602126 1433897061 /nfs/dbraw/zinc/89/70/61/1433897061.db2.gz CAJLCONPTRUVFR-XYEHWOGUSA-N 2 0 396.579 3.335 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000261773073 1433902879 /nfs/dbraw/zinc/90/28/79/1433902879.db2.gz PJWHUPRFXSBECE-PWRODBHTSA-N 2 0 388.600 3.296 20 30 GGEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000261804148 1433904975 /nfs/dbraw/zinc/90/49/75/1433904975.db2.gz PHUBJHIYCMEVIK-YADARESESA-N 2 0 380.580 3.416 20 30 GGEDRP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC(OC(C)(C)C)CC1 ZINC000261815446 1433905483 /nfs/dbraw/zinc/90/54/83/1433905483.db2.gz TWUUEOZRFMDCFG-UHFFFAOYSA-N 2 0 396.645 3.203 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262373586 1433936952 /nfs/dbraw/zinc/93/69/52/1433936952.db2.gz JCFFRCLWZQKZTL-XUVXKRRUSA-N 2 0 376.589 3.152 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262373588 1433937062 /nfs/dbraw/zinc/93/70/62/1433937062.db2.gz JCFFRCLWZQKZTL-ZCNNSNEGSA-N 2 0 376.589 3.152 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000262395415 1433937652 /nfs/dbraw/zinc/93/76/52/1433937652.db2.gz MYOCGBAMAVLEBB-UMSONDCASA-N 2 0 384.568 3.191 20 30 GGEDRP C[NH+]=C(NCc1ccc(Br)s1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262428527 1433938580 /nfs/dbraw/zinc/93/85/80/1433938580.db2.gz DHAVKWBTLYGPOM-ZDUSSCGKSA-N 2 0 385.375 3.146 20 30 GGEDRP C[NH+]=C(NCc1csc(Br)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262441175 1433939027 /nfs/dbraw/zinc/93/90/27/1433939027.db2.gz HOWGRGAUJAOVQQ-AWEZNQCLSA-N 2 0 385.375 3.146 20 30 GGEDRP [NH2+]=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000262465865 1433940147 /nfs/dbraw/zinc/94/01/47/1433940147.db2.gz NOXYZLDXKCYKQH-GOSISDBHSA-N 2 0 380.492 3.097 20 30 GGEDRP CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000262795225 1433956597 /nfs/dbraw/zinc/95/65/97/1433956597.db2.gz PHUGDZASKJLTHK-PMACEKPBSA-N 2 0 384.568 3.326 20 30 GGEDRP CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000262810513 1433958185 /nfs/dbraw/zinc/95/81/85/1433958185.db2.gz VCGUTDZMWLQYMQ-SLFFLAALSA-N 2 0 376.589 3.155 20 30 GGEDRP COc1ccc(NC(=[NH2+])NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000267340366 1434424063 /nfs/dbraw/zinc/42/40/63/1434424063.db2.gz PSJWOESPACDNPB-UHFFFAOYSA-N 2 0 396.535 3.493 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267350340 1434424834 /nfs/dbraw/zinc/42/48/34/1434424834.db2.gz PHMMXYRCDSDTOV-UGKGYDQZSA-N 2 0 384.568 3.237 20 30 GGEDRP CC[NH+](CC)CCOc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000267916192 1434476575 /nfs/dbraw/zinc/47/65/75/1434476575.db2.gz GUXTYTGLWBSMKC-UHFFFAOYSA-N 2 0 389.544 3.106 20 30 GGEDRP COc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1OCCCC#N ZINC000270710543 1434765243 /nfs/dbraw/zinc/76/52/43/1434765243.db2.gz LIFWXNYHYMRNDA-UHFFFAOYSA-N 2 0 398.507 3.003 20 30 GGEDRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000271729970 1434846685 /nfs/dbraw/zinc/84/66/85/1434846685.db2.gz ZORZFFPPZSNMMP-SFHVURJKSA-N 2 0 376.504 3.121 20 30 GGEDRP C=CC[NH+]1CCC(Nc2ccc(C#N)c(NC3CC[NH+](CC=C)CC3)n2)CC1 ZINC000276492659 1435214220 /nfs/dbraw/zinc/21/42/20/1435214220.db2.gz QFHRRYIZRQPYAT-UHFFFAOYSA-N 2 0 380.540 3.078 20 30 GGEDRP C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)NC1CC[NH+](C(C)C)CC1 ZINC000262288923 566149592 /nfs/dbraw/zinc/14/95/92/566149592.db2.gz YEMOYHAOCSXMGJ-UHFFFAOYSA-N 2 0 379.961 3.488 20 30 GGEDRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424198915 566519525 /nfs/dbraw/zinc/51/95/25/566519525.db2.gz YMSKDEJHDZELCX-QGZVFWFLSA-N 2 0 385.339 3.295 20 30 GGEDRP C[C@H]([NH2+]C/C=C\C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1 ZINC000824585806 608466626 /nfs/dbraw/zinc/46/66/26/608466626.db2.gz UJOPCBNDIIYSLZ-QCDWVSHVSA-N 2 0 387.491 3.296 20 30 GGEDRP C[NH+](C)C1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000053958403 1406569557 /nfs/dbraw/zinc/56/95/57/1406569557.db2.gz BBSZLMLTCXOKOM-UHFFFAOYSA-N 2 0 397.567 3.040 20 30 GGEDRP C=C(C)COc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1OC ZINC000057961612 1407762647 /nfs/dbraw/zinc/76/26/47/1407762647.db2.gz ZFGPDPMIRWNVHO-FQEVSTJZSA-N 2 0 375.557 3.012 20 30 GGEDRP C#CCOc1ccccc1C[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000061070085 1408074029 /nfs/dbraw/zinc/07/40/29/1408074029.db2.gz VDLJBIUFPKQCIP-UHFFFAOYSA-N 2 0 377.532 3.126 20 30 GGEDRP Cc1ccc(C)c(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccccc2)c1 ZINC000063441561 1408354780 /nfs/dbraw/zinc/35/47/80/1408354780.db2.gz ZJHYGPHRWRIVRH-UHFFFAOYSA-O 2 0 382.553 3.214 20 30 GGEDRP CCc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccccc2)cc1 ZINC000063441520 1408354941 /nfs/dbraw/zinc/35/49/41/1408354941.db2.gz OULJFPFZZYJVTI-UHFFFAOYSA-O 2 0 382.553 3.159 20 30 GGEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000176712019 1428426957 /nfs/dbraw/zinc/42/69/57/1428426957.db2.gz ZOYVZOXUADBQLZ-IBGZPJMESA-N 2 0 382.533 3.357 20 30 GGEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076331802 1409887582 /nfs/dbraw/zinc/88/75/82/1409887582.db2.gz VRXJLJNITMUUKY-KRWDZBQOSA-N 2 0 377.920 3.091 20 30 GGEDRP C=C(C)C[NH+]1CCC(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1 ZINC000092390581 1410149426 /nfs/dbraw/zinc/14/94/26/1410149426.db2.gz JUFZZIDRXFZQNT-UHFFFAOYSA-N 2 0 376.976 3.222 20 30 GGEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1 ZINC000104157978 1410885926 /nfs/dbraw/zinc/88/59/26/1410885926.db2.gz FHUPHVJGTMXOJT-UHFFFAOYSA-N 2 0 384.524 3.150 20 30 GGEDRP CCOc1ccc(Oc2cc(CNC(=[NH2+])NC[C@H]3CCC[N@@H+]3CC)ccn2)cc1 ZINC000104164780 1410886195 /nfs/dbraw/zinc/88/61/95/1410886195.db2.gz AUDVMYUEYLMLKZ-GOSISDBHSA-N 2 0 397.523 3.161 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000106328715 1411196403 /nfs/dbraw/zinc/19/64/03/1411196403.db2.gz JCRMABDVMMEHBT-GOSISDBHSA-N 2 0 376.570 3.225 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000106340908 1411198196 /nfs/dbraw/zinc/19/81/96/1411198196.db2.gz YRSTYWCZWNFXHA-JOCHJYFZSA-N 2 0 399.583 3.118 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)CC1 ZINC000106340936 1411198698 /nfs/dbraw/zinc/19/86/98/1411198698.db2.gz AHDAPUKIUHRTOK-UHFFFAOYSA-N 2 0 394.510 3.079 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000110734303 1411867147 /nfs/dbraw/zinc/86/71/47/1411867147.db2.gz PVZHXUXPJFVCKC-FQEVSTJZSA-N 2 0 383.580 3.486 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000110734306 1411867293 /nfs/dbraw/zinc/86/72/93/1411867293.db2.gz PVZHXUXPJFVCKC-HXUWFJFHSA-N 2 0 383.580 3.486 20 30 GGEDRP C#CCOc1ccc(C[NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)cc1 ZINC000113323205 1412292869 /nfs/dbraw/zinc/29/28/69/1412292869.db2.gz LRQPHEVBEGSJJU-UHFFFAOYSA-N 2 0 377.532 3.126 20 30 GGEDRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000113404840 1412303309 /nfs/dbraw/zinc/30/33/09/1412303309.db2.gz OQADKWGQDUXDHZ-JOCHJYFZSA-N 2 0 397.567 3.040 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000113617940 1412322244 /nfs/dbraw/zinc/32/22/44/1412322244.db2.gz BMVHSQOLJLXBEV-UHFFFAOYSA-N 2 0 384.568 3.333 20 30 GGEDRP N#Cc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C(N)=O)cc1 ZINC000115599719 1412727660 /nfs/dbraw/zinc/72/76/60/1412727660.db2.gz MRYMHBYUZYFCHT-OAQYLSRUSA-N 2 0 396.922 3.240 20 30 GGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000177481997 1428761626 /nfs/dbraw/zinc/76/16/26/1428761626.db2.gz VZZDCQSEAYSLLW-KDURUIRLSA-N 2 0 398.551 3.098 20 30 GGEDRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000123300583 1414691521 /nfs/dbraw/zinc/69/15/21/1414691521.db2.gz QVFBTXALLVFHNH-UHFFFAOYSA-N 2 0 388.581 3.491 20 30 GGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128211918 1415940264 /nfs/dbraw/zinc/94/02/64/1415940264.db2.gz DIHBWCGUQYXBNE-WMZOPIPTSA-N 2 0 379.932 3.056 20 30 GGEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000131600279 1416582992 /nfs/dbraw/zinc/58/29/92/1416582992.db2.gz WDBRJLYDZVIBTE-UHFFFAOYSA-N 2 0 395.507 3.308 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000178775075 1429167102 /nfs/dbraw/zinc/16/71/02/1429167102.db2.gz GODILOYQRNRSKW-GMAHTHKFSA-N 2 0 396.579 3.333 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000151113036 1417874588 /nfs/dbraw/zinc/87/45/88/1417874588.db2.gz MYOCGBAMAVLEBB-RCOXNQKVSA-N 2 0 384.568 3.191 20 30 GGEDRP Cn1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180058394 1429717397 /nfs/dbraw/zinc/71/73/97/1429717397.db2.gz AUCLSJFOMDGLJP-UHFFFAOYSA-N 2 0 389.503 3.189 20 30 GGEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000158964163 1424383020 /nfs/dbraw/zinc/38/30/20/1424383020.db2.gz QCDPOFJUQHQCQB-UGKGYDQZSA-N 2 0 385.552 3.274 20 30 GGEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000159020532 1424397733 /nfs/dbraw/zinc/39/77/33/1424397733.db2.gz HHMVPOGCYJVLAO-REWPJTCUSA-N 2 0 399.579 3.469 20 30 GGEDRP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159048851 1424404452 /nfs/dbraw/zinc/40/44/52/1424404452.db2.gz JOWHXQDJUMQZKR-DXIQSLLYSA-N 2 0 376.589 3.406 20 30 GGEDRP C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000161647108 1424732281 /nfs/dbraw/zinc/73/22/81/1424732281.db2.gz WZEDVGHEYCWHIP-GOSISDBHSA-N 2 0 393.535 3.213 20 30 GGEDRP C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000161686115 1424740356 /nfs/dbraw/zinc/74/03/56/1424740356.db2.gz PRPXTTBBAALTSW-GOSISDBHSA-N 2 0 393.535 3.213 20 30 GGEDRP Cn1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180155817 1429768434 /nfs/dbraw/zinc/76/84/34/1429768434.db2.gz SOTHMCNZXRTLEQ-UHFFFAOYSA-N 2 0 389.503 3.189 20 30 GGEDRP COc1ccc(CNC(=[NH2+])NCC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000170910647 1425388763 /nfs/dbraw/zinc/38/87/63/1425388763.db2.gz FVQBSFYULCRMDX-UHFFFAOYSA-N 2 0 396.535 3.020 20 30 GGEDRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000171657225 1425777803 /nfs/dbraw/zinc/77/78/03/1425777803.db2.gz KYZDOPUHGPEZJS-UHFFFAOYSA-N 2 0 390.531 3.115 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000171699100 1425792993 /nfs/dbraw/zinc/79/29/93/1425792993.db2.gz ABHQFHOENKMHDA-IBGZPJMESA-N 2 0 390.597 3.471 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000171699103 1425794027 /nfs/dbraw/zinc/79/40/27/1425794027.db2.gz ABHQFHOENKMHDA-LJQANCHMSA-N 2 0 390.597 3.471 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000171709486 1425798475 /nfs/dbraw/zinc/79/84/75/1425798475.db2.gz LAHGLZCLVAOZRJ-UHFFFAOYSA-N 2 0 384.568 3.368 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000171733586 1425806289 /nfs/dbraw/zinc/80/62/89/1425806289.db2.gz YZNCGAVRZQBCFN-UHFFFAOYSA-N 2 0 384.568 3.368 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000173200231 1426389665 /nfs/dbraw/zinc/38/96/65/1426389665.db2.gz OCTLRYAUYYPAAX-NRFANRHFSA-N 2 0 384.568 3.190 20 30 GGEDRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000174257272 1427072527 /nfs/dbraw/zinc/07/25/27/1427072527.db2.gz HDIQXKABLDBRKS-ROUUACIJSA-N 2 0 379.504 3.466 20 30 GGEDRP CN(CCC#N)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000175017311 1427501302 /nfs/dbraw/zinc/50/13/02/1427501302.db2.gz RTMWEWIHXQYOOP-UHFFFAOYSA-N 2 0 392.547 3.283 20 30 GGEDRP C#CCCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000175019974 1427502296 /nfs/dbraw/zinc/50/22/96/1427502296.db2.gz AYOUUISRHVLILN-UHFFFAOYSA-N 2 0 378.516 3.335 20 30 GGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000180984328 1430151927 /nfs/dbraw/zinc/15/19/27/1430151927.db2.gz FTDSNISKTACRBD-PGRDOPGGSA-N 2 0 379.504 3.224 20 30 GGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000180984345 1430152525 /nfs/dbraw/zinc/15/25/25/1430152525.db2.gz FTDSNISKTACRBD-XMSQKQJNSA-N 2 0 379.504 3.224 20 30 GGEDRP C#CCCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000180987345 1430153591 /nfs/dbraw/zinc/15/35/91/1430153591.db2.gz VYAVTSGJZJSCHG-QHCPKHFHSA-N 2 0 378.516 3.335 20 30 GGEDRP C#CCCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000180987321 1430153686 /nfs/dbraw/zinc/15/36/86/1430153686.db2.gz VYAVTSGJZJSCHG-HSZRJFAPSA-N 2 0 378.516 3.335 20 30 GGEDRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181478475 1430307817 /nfs/dbraw/zinc/30/78/17/1430307817.db2.gz XDDGZAUBLFEVON-OAQYLSRUSA-N 2 0 392.547 3.447 20 30 GGEDRP C[C@H]1C[NH+](CCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000181616172 1430328361 /nfs/dbraw/zinc/32/83/61/1430328361.db2.gz DFCNPUQAQPVAFL-PMACEKPBSA-N 2 0 384.568 3.002 20 30 GGEDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(OCC#N)cc1 ZINC000181860338 1430373310 /nfs/dbraw/zinc/37/33/10/1430373310.db2.gz CFEZNBHCCDTVLF-SFHVURJKSA-N 2 0 379.504 3.396 20 30 GGEDRP C[C@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000182691456 1430518627 /nfs/dbraw/zinc/51/86/27/1430518627.db2.gz VVWFNAYPIFQPLL-HXUWFJFHSA-N 2 0 397.567 3.040 20 30 GGEDRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182733449 1430529352 /nfs/dbraw/zinc/52/93/52/1430529352.db2.gz VSDZZLFSDHPZLX-JOCHJYFZSA-N 2 0 382.552 3.498 20 30 GGEDRP C=CCc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(O)c(OC)c1 ZINC000183522651 1430734254 /nfs/dbraw/zinc/73/42/54/1430734254.db2.gz ICPWQDJHNSOJAW-UHFFFAOYSA-N 2 0 388.552 3.454 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000187260140 1431670684 /nfs/dbraw/zinc/67/06/84/1431670684.db2.gz FKFIUVPTEKKMNP-GOSISDBHSA-N 2 0 398.473 3.258 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000247310274 1433703636 /nfs/dbraw/zinc/70/36/36/1433703636.db2.gz IFDFKKAWURNKKL-NPHXMPSESA-N 2 0 398.595 3.483 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000261781310 1433903832 /nfs/dbraw/zinc/90/38/32/1433903832.db2.gz QBVAWKNCLALPML-VOFPXKNKSA-N 2 0 398.595 3.408 20 30 GGEDRP [NH2+]=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000261995464 1433920047 /nfs/dbraw/zinc/92/00/47/1433920047.db2.gz NLMFQEDAOGEGJH-UHFFFAOYSA-N 2 0 394.519 3.487 20 30 GGEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000262287270 1433933719 /nfs/dbraw/zinc/93/37/19/1433933719.db2.gz MNBKMTFWRNAQDD-UHFFFAOYSA-N 2 0 380.492 3.371 20 30 GGEDRP C[NH+]=C(NCc1scnc1C)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262416326 1433938352 /nfs/dbraw/zinc/93/83/52/1433938352.db2.gz PYVXEKBHKVKHOT-WMLDXEAASA-N 2 0 377.583 3.261 20 30 GGEDRP C[NH+]=C(NCc1csc(Br)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262441177 1433939181 /nfs/dbraw/zinc/93/91/81/1433939181.db2.gz HOWGRGAUJAOVQQ-CQSZACIVSA-N 2 0 385.375 3.146 20 30 GGEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000262534227 1433942566 /nfs/dbraw/zinc/94/25/66/1433942566.db2.gz OXICQFJZGXTYAY-LJQANCHMSA-N 2 0 380.492 3.239 20 30 GGEDRP C[NH+]=C(NCC1(c2cccc(OC)c2)CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262783460 1433956043 /nfs/dbraw/zinc/95/60/43/1433956043.db2.gz LYNVNFHAEPWIAN-HXUWFJFHSA-N 2 0 382.552 3.029 20 30 GGEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccc(OC)cc3)CC2)cc1 ZINC000264072882 1434069146 /nfs/dbraw/zinc/06/91/46/1434069146.db2.gz DPAVEJAJOJWBSU-UHFFFAOYSA-N 2 0 382.508 3.343 20 30 GGEDRP COc1ccc(CNC(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC000264107261 1434072210 /nfs/dbraw/zinc/07/22/10/1434072210.db2.gz NZUUTRPPMMZUJX-MRXNPFEDSA-N 2 0 388.537 3.007 20 30 GGEDRP COc1ccc(CNC(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC000264107256 1434072296 /nfs/dbraw/zinc/07/22/96/1434072296.db2.gz NZUUTRPPMMZUJX-INIZCTEOSA-N 2 0 388.537 3.007 20 30 GGEDRP C=C(C)COc1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)ccc1OC ZINC000264380662 1434104916 /nfs/dbraw/zinc/10/49/16/1434104916.db2.gz OIFOVSXVSHKBGK-LJQANCHMSA-N 2 0 375.557 3.013 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267350334 1434424887 /nfs/dbraw/zinc/42/48/87/1434424887.db2.gz PHMMXYRCDSDTOV-KNQAVFIVSA-N 2 0 384.568 3.237 20 30 GGEDRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)c(F)c1 ZINC000271938917 1434860585 /nfs/dbraw/zinc/86/05/85/1434860585.db2.gz KZNJNHOTDIINLR-KKSFZXQISA-N 2 0 394.494 3.245 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272414674 1434894673 /nfs/dbraw/zinc/89/46/73/1434894673.db2.gz LVSMOMQLAHYHPY-TZIWHRDSSA-N 2 0 384.568 3.237 20 30 GGEDRP C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000278918009 1435439708 /nfs/dbraw/zinc/43/97/08/1435439708.db2.gz REQDTJVASNANKD-INIZCTEOSA-N 2 0 377.492 3.298 20 30 GGEDRP COc1ccc(NC(=[NH2+])NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC ZINC000284201867 1436003640 /nfs/dbraw/zinc/00/36/40/1436003640.db2.gz YZLKUSLAAVJWGR-UHFFFAOYSA-N 2 0 398.507 3.104 20 30 GGEDRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424198913 566520024 /nfs/dbraw/zinc/52/00/24/566520024.db2.gz YMSKDEJHDZELCX-KRWDZBQOSA-N 2 0 385.339 3.295 20 30 GGEDRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000047011438 1404674811 /nfs/dbraw/zinc/67/48/11/1404674811.db2.gz MSGUXTVHDOSYQJ-UHFFFAOYSA-N 2 0 382.508 3.197 20 30 GGEDRP C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)ccc1OC ZINC000060947222 1408055297 /nfs/dbraw/zinc/05/52/97/1408055297.db2.gz KJWFTXVANZAZAL-UHFFFAOYSA-N 2 0 396.535 3.087 20 30 GGEDRP CCc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccc(C)cc2)cc1 ZINC000063441536 1408355099 /nfs/dbraw/zinc/35/50/99/1408355099.db2.gz YPBGXDDSSPKZFL-UHFFFAOYSA-O 2 0 396.580 3.468 20 30 GGEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026394 1408469367 /nfs/dbraw/zinc/46/93/67/1408469367.db2.gz JNUNZMOFDYIWFP-UHFFFAOYSA-N 2 0 390.531 3.358 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000176499006 1428340837 /nfs/dbraw/zinc/34/08/37/1428340837.db2.gz QKKUQBYHWIBOQT-OAQYLSRUSA-N 2 0 384.568 3.190 20 30 GGEDRP C#CC[NH+]1CCC(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000068484539 1409415582 /nfs/dbraw/zinc/41/55/82/1409415582.db2.gz YRZDWSBFQJXSBE-UHFFFAOYSA-N 2 0 395.591 3.183 20 30 GGEDRP C[NH+]1CCN(C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccccc2)CC1 ZINC000069170978 1409580349 /nfs/dbraw/zinc/58/03/49/1409580349.db2.gz GCBKNNBDCCNSGQ-DEOSSOPVSA-N 2 0 392.547 3.447 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000077566991 1409897456 /nfs/dbraw/zinc/89/74/56/1409897456.db2.gz NKHSYRYQJHLEJN-FQEVSTJZSA-N 2 0 384.568 3.333 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080119858 1410000880 /nfs/dbraw/zinc/00/08/80/1410000880.db2.gz OTTBMKDABKCCOH-KNQAVFIVSA-N 2 0 384.568 3.379 20 30 GGEDRP C=CCc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(OC)c1O ZINC000092587195 1410176165 /nfs/dbraw/zinc/17/61/65/1410176165.db2.gz AXJKUJCPYROXRJ-HDICACEKSA-N 2 0 388.552 3.451 20 30 GGEDRP COc1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000104170684 1410886217 /nfs/dbraw/zinc/88/62/17/1410886217.db2.gz FZAJMPBXKXXCGR-UHFFFAOYSA-N 2 0 381.524 3.024 20 30 GGEDRP C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)CN1CC[NH+](C)CC1 ZINC000105439881 1411066360 /nfs/dbraw/zinc/06/63/60/1411066360.db2.gz MCVJEXKTKZIJKB-FQEVSTJZSA-N 2 0 392.547 3.110 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000106268172 1411187199 /nfs/dbraw/zinc/18/71/99/1411187199.db2.gz KRXCDXFGSCFUSQ-GOSISDBHSA-N 2 0 390.597 3.300 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000106268169 1411187656 /nfs/dbraw/zinc/18/76/56/1411187656.db2.gz KRXCDXFGSCFUSQ-SFHVURJKSA-N 2 0 390.597 3.300 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000106336518 1411196948 /nfs/dbraw/zinc/19/69/48/1411196948.db2.gz VDNSSJNOZZIBBH-JOCHJYFZSA-N 2 0 384.568 3.472 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000106340935 1411198331 /nfs/dbraw/zinc/19/83/31/1411198331.db2.gz FKLCBDIUPRJYSW-UHFFFAOYSA-N 2 0 394.510 3.079 20 30 GGEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000106773110 1411299002 /nfs/dbraw/zinc/29/90/02/1411299002.db2.gz YSSBCYMDHGZPGV-UHFFFAOYSA-N 2 0 398.482 3.055 20 30 GGEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)CC1 ZINC000110762530 1411868531 /nfs/dbraw/zinc/86/85/31/1411868531.db2.gz UZNMKFYBMNTWCS-UHFFFAOYSA-N 2 0 387.955 3.110 20 30 GGEDRP C[NH+]=C(NCc1nc(C)cs1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000177172062 1428612142 /nfs/dbraw/zinc/61/21/42/1428612142.db2.gz PKIJRWXTGZSVEJ-YOEHRIQHSA-N 2 0 377.583 3.261 20 30 GGEDRP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000114747415 1412516932 /nfs/dbraw/zinc/51/69/32/1412516932.db2.gz PLQDIPJWUPWUNL-MOPGFXCFSA-N 2 0 390.531 3.378 20 30 GGEDRP C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000114747419 1412517252 /nfs/dbraw/zinc/51/72/52/1412517252.db2.gz PLQDIPJWUPWUNL-RTBURBONSA-N 2 0 390.531 3.378 20 30 GGEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000114748636 1412518159 /nfs/dbraw/zinc/51/81/59/1412518159.db2.gz CUGKPCKBDNTHRP-JOCHJYFZSA-N 2 0 376.504 3.295 20 30 GGEDRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000118868376 1413255867 /nfs/dbraw/zinc/25/58/67/1413255867.db2.gz UXGJZWPPUDUQRN-UHFFFAOYSA-N 2 0 388.581 3.491 20 30 GGEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000177482013 1428761596 /nfs/dbraw/zinc/76/15/96/1428761596.db2.gz VZZDCQSEAYSLLW-OALUTQOASA-N 2 0 398.551 3.098 20 30 GGEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000177508758 1428775043 /nfs/dbraw/zinc/77/50/43/1428775043.db2.gz XDSGGPLWOYEDNK-OALUTQOASA-N 2 0 398.551 3.098 20 30 GGEDRP N#Cc1ccc(N2CC[C@H]([NH+]3CCC(CCC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000122115089 1414365940 /nfs/dbraw/zinc/36/59/40/1414365940.db2.gz AXJKRFMMMYXJHF-QFIPXVFZSA-N 2 0 380.536 3.252 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000177868899 1428878311 /nfs/dbraw/zinc/87/83/11/1428878311.db2.gz PNBMWRWKTZLJNL-IBGZPJMESA-N 2 0 376.589 3.323 20 30 GGEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178169466 1429005453 /nfs/dbraw/zinc/00/54/53/1429005453.db2.gz QYDYBTKHVRZAMS-OAQYLSRUSA-N 2 0 382.552 3.103 20 30 GGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)NC1CC[NH+](C(C)C)CC1 ZINC000178218929 1429021202 /nfs/dbraw/zinc/02/12/02/1429021202.db2.gz AMWZBBXUGVWYHH-PXNSSMCTSA-N 3 0 391.629 3.169 20 30 GGEDRP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1C ZINC000131292731 1416535859 /nfs/dbraw/zinc/53/58/59/1416535859.db2.gz PAACQKJSFURRIZ-HXUWFJFHSA-N 2 0 393.535 3.238 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000135420108 1417217694 /nfs/dbraw/zinc/21/76/94/1417217694.db2.gz IFDFKKAWURNKKL-WOJBJXKFSA-N 2 0 398.595 3.483 20 30 GGEDRP CN(c1ccccc1C[NH2+]Cc1cccc(OCC#N)c1)C1CC[NH+](C)CC1 ZINC000150896894 1417830070 /nfs/dbraw/zinc/83/00/70/1417830070.db2.gz QEUYEWXAJBSLIQ-UHFFFAOYSA-N 2 0 378.520 3.409 20 30 GGEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000152382173 1422088556 /nfs/dbraw/zinc/08/85/56/1422088556.db2.gz NCAFUHAFPXAQQE-ZCNNSNEGSA-N 2 0 376.589 3.152 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000155716266 1423502232 /nfs/dbraw/zinc/50/22/32/1423502232.db2.gz FFPWBQVBDRKBBX-UHFFFAOYSA-N 2 0 376.589 3.325 20 30 GGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000156579499 1423831418 /nfs/dbraw/zinc/83/14/18/1423831418.db2.gz RAUCIVQHSYEUQF-NHCUHLMSSA-N 2 0 376.589 3.345 20 30 GGEDRP C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000161685990 1424740599 /nfs/dbraw/zinc/74/05/99/1424740599.db2.gz PRPXTTBBAALTSW-SFHVURJKSA-N 2 0 393.535 3.213 20 30 GGEDRP Cc1cc[n+](C(C(=O)c2ccccc2)C(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000170715506 1425314651 /nfs/dbraw/zinc/31/46/51/1425314651.db2.gz LGNXMOPFVPFBKO-UHFFFAOYSA-O 2 0 384.569 3.399 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000171552849 1425731588 /nfs/dbraw/zinc/73/15/88/1425731588.db2.gz MWUMRGRAIHPYTA-UHFFFAOYSA-N 2 0 384.568 3.163 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000171704474 1425794489 /nfs/dbraw/zinc/79/44/89/1425794489.db2.gz LBGOBFXLIZBWLF-UHFFFAOYSA-N 2 0 390.959 3.254 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000171717051 1425801467 /nfs/dbraw/zinc/80/14/67/1425801467.db2.gz UDRJXCXYWXISDD-FQEVSTJZSA-N 2 0 395.469 3.208 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000171721670 1425803522 /nfs/dbraw/zinc/80/35/22/1425803522.db2.gz CYMZIHKNSVECFI-QFIPXVFZSA-N 2 0 384.568 3.409 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000171737853 1425807481 /nfs/dbraw/zinc/80/74/81/1425807481.db2.gz CGTSKBBDVMSEAC-UHFFFAOYSA-N 2 0 384.568 3.190 20 30 GGEDRP C[N@H+](CCN1CC[NH+](CCCOc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000171743176 1425809132 /nfs/dbraw/zinc/80/91/32/1425809132.db2.gz LHMJQZRQWHGABC-UHFFFAOYSA-N 2 0 392.547 3.077 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000172584942 1426098244 /nfs/dbraw/zinc/09/82/44/1426098244.db2.gz BKHYVRFSBLHZAE-SIKLNZKXSA-N 2 0 384.568 3.331 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000172584945 1426098971 /nfs/dbraw/zinc/09/89/71/1426098971.db2.gz BKHYVRFSBLHZAE-KNQAVFIVSA-N 2 0 384.568 3.331 20 30 GGEDRP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000174257257 1427072716 /nfs/dbraw/zinc/07/27/16/1427072716.db2.gz HDIQXKABLDBRKS-HDICACEKSA-N 2 0 379.504 3.466 20 30 GGEDRP COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1C#N ZINC000174352541 1427116128 /nfs/dbraw/zinc/11/61/28/1427116128.db2.gz QNNNOPKMCVFKAV-MRXNPFEDSA-N 2 0 382.483 3.309 20 30 GGEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000175747451 1427877413 /nfs/dbraw/zinc/87/74/13/1427877413.db2.gz IYLPBEOIZCKWIF-UHFFFAOYSA-N 2 0 389.971 3.252 20 30 GGEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176009161 1428025332 /nfs/dbraw/zinc/02/53/32/1428025332.db2.gz VTTQJMLZHJXQBF-UHFFFAOYSA-N 2 0 397.567 3.038 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000176154295 1428124035 /nfs/dbraw/zinc/12/40/35/1428124035.db2.gz INIJXWMWNQLJFH-UHFFFAOYSA-N 2 0 384.568 3.333 20 30 GGEDRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000181616156 1430328451 /nfs/dbraw/zinc/32/84/51/1430328451.db2.gz DFCNPUQAQPVAFL-BGYRXZFFSA-N 2 0 384.568 3.002 20 30 GGEDRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000181974109 1430390526 /nfs/dbraw/zinc/39/05/26/1430390526.db2.gz NPTCKORQXAOPNP-GOSISDBHSA-N 2 0 376.504 3.235 20 30 GGEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000182225240 1430432948 /nfs/dbraw/zinc/43/29/48/1430432948.db2.gz BGAKQPJIQHBANA-PGRDOPGGSA-N 2 0 379.504 3.396 20 30 GGEDRP COc1ccc(NC(=[NH2+])NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1OC ZINC000187055715 1431600842 /nfs/dbraw/zinc/60/08/42/1431600842.db2.gz HXUPIRQEIDJIAD-LJQANCHMSA-N 2 0 382.508 3.341 20 30 GGEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000189969048 1432292303 /nfs/dbraw/zinc/29/23/03/1432292303.db2.gz GLBMPLLTYNYFFU-IBGZPJMESA-N 2 0 382.552 3.323 20 30 GGEDRP C#CCOc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1 ZINC000236962269 1433384369 /nfs/dbraw/zinc/38/43/69/1433384369.db2.gz IKIXRCLALNRQSM-UHFFFAOYSA-N 2 0 377.532 3.126 20 30 GGEDRP C#CCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1 ZINC000237005821 1433385625 /nfs/dbraw/zinc/38/56/25/1433385625.db2.gz SPCKDGYLINNKFF-UHFFFAOYSA-N 2 0 381.495 3.269 20 30 GGEDRP N#CCCCOc1cccc(C[NH2+]Cc2ccccc2CN2CCOCC2)c1 ZINC000237823380 1433425930 /nfs/dbraw/zinc/42/59/30/1433425930.db2.gz URUTZDVSPOYXDX-UHFFFAOYSA-N 2 0 379.504 3.491 20 30 GGEDRP CC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000245431352 1433466521 /nfs/dbraw/zinc/46/65/21/1433466521.db2.gz ARLSZSACHBTDFN-HOTGVXAUSA-N 2 0 388.581 3.347 20 30 GGEDRP CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000246052837 1433562060 /nfs/dbraw/zinc/56/20/60/1433562060.db2.gz AZCZYTYEIUBLBW-FGZHOGPDSA-N 2 0 397.567 3.037 20 30 GGEDRP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3CCC[NH+](C)C3)sc2C1 ZINC000246127919 1433572417 /nfs/dbraw/zinc/57/24/17/1433572417.db2.gz IFPDUESHRBYNOY-CVEARBPZSA-N 2 0 388.581 3.347 20 30 GGEDRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000248388943 1433793131 /nfs/dbraw/zinc/79/31/31/1433793131.db2.gz AENILTILUSSHBV-GCJKJVERSA-N 2 0 378.520 3.360 20 30 GGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248435639 1433802334 /nfs/dbraw/zinc/80/23/34/1433802334.db2.gz FTDSNISKTACRBD-GCJKJVERSA-N 2 0 379.504 3.224 20 30 GGEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CC[NH+](CC(C)C)CC1 ZINC000261632152 1433897786 /nfs/dbraw/zinc/89/77/86/1433897786.db2.gz CMTQJOJLYUWKAG-XUVXKRRUSA-N 2 0 376.589 3.010 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000261673258 1433898647 /nfs/dbraw/zinc/89/86/47/1433898647.db2.gz GZUPQUNWWXANAF-QNDFHXLGSA-N 2 0 384.568 3.018 20 30 GGEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000261692065 1433899191 /nfs/dbraw/zinc/89/91/91/1433899191.db2.gz RWDLKLOWONEUBT-HBMCJLEFSA-N 2 0 388.600 3.296 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000261773059 1433902998 /nfs/dbraw/zinc/90/29/98/1433902998.db2.gz PJWHUPRFXSBECE-HBMCJLEFSA-N 2 0 388.600 3.296 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000261781303 1433903844 /nfs/dbraw/zinc/90/38/44/1433903844.db2.gz QBVAWKNCLALPML-MIUGBVLSSA-N 2 0 398.595 3.408 20 30 GGEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000261859262 1433907780 /nfs/dbraw/zinc/90/77/80/1433907780.db2.gz YEIVNWAONALDOA-VOFPXKNKSA-N 2 0 398.595 3.408 20 30 GGEDRP CC[NH+]=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261962065 1433916914 /nfs/dbraw/zinc/91/69/14/1433916914.db2.gz KJYJBPVSHQBTIE-OAQYLSRUSA-N 2 0 390.597 3.038 20 30 GGEDRP C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261978466 1433918780 /nfs/dbraw/zinc/91/87/80/1433918780.db2.gz OGEAAYWBPOFVEY-IAQYHMDHSA-N 2 0 377.945 3.097 20 30 GGEDRP C=C(Br)CNC(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)=[NH+]C ZINC000262318731 1433934898 /nfs/dbraw/zinc/93/48/98/1433934898.db2.gz CIYKJKGTTSXGRL-DZGCQCFKSA-N 2 0 385.375 3.205 20 30 GGEDRP C=C(Br)CNC(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)=[NH+]C ZINC000262318734 1433935083 /nfs/dbraw/zinc/93/50/83/1433935083.db2.gz CIYKJKGTTSXGRL-ZFWWWQNUSA-N 2 0 385.375 3.205 20 30 GGEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CC[NH+](C2CCCC2)CC1 ZINC000262379475 1433937276 /nfs/dbraw/zinc/93/72/76/1433937276.db2.gz KFJSWVPHSKCXCH-XUVXKRRUSA-N 2 0 376.589 3.152 20 30 GGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)NC[C@]1(C)CCCC[C@@H]1O ZINC000262409743 1433938237 /nfs/dbraw/zinc/93/82/37/1433938237.db2.gz PCNVPRIJLWJJMA-WBKMXMRLSA-N 2 0 392.613 3.237 20 30 GGEDRP C[NH+]=C(NCCc1ccc(Br)s1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262439224 1433939159 /nfs/dbraw/zinc/93/91/59/1433939159.db2.gz HEFJDMQVGSHTNG-CQSZACIVSA-N 2 0 399.402 3.189 20 30 GGEDRP C[NH+]=C(NCc1cnc(C)s1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262476465 1433940607 /nfs/dbraw/zinc/94/06/07/1433940607.db2.gz XLIJDWPVCLDDKZ-WMLDXEAASA-N 2 0 377.583 3.261 20 30 GGEDRP [NH2+]=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000262553971 1433943261 /nfs/dbraw/zinc/94/32/61/1433943261.db2.gz UKCCBDDOOONDFN-LJQANCHMSA-N 2 0 384.549 3.388 20 30 GGEDRP CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000262811264 1433957965 /nfs/dbraw/zinc/95/79/65/1433957965.db2.gz VCGUTDZMWLQYMQ-XUVXKRRUSA-N 2 0 376.589 3.155 20 30 GGEDRP C[NH+]=C(NCC1CCSCC1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262828337 1433959689 /nfs/dbraw/zinc/95/96/89/1433959689.db2.gz ZCFMLSLVMMEYPS-FUHWJXTLSA-N 2 0 380.627 3.439 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267350331 1434424939 /nfs/dbraw/zinc/42/49/39/1434424939.db2.gz PHMMXYRCDSDTOV-DENIHFKCSA-N 2 0 384.568 3.237 20 30 GGEDRP Cc1cc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccccc2)ccc1F ZINC000267490889 1434440114 /nfs/dbraw/zinc/44/01/14/1434440114.db2.gz WOQONMGLFFLNRG-UHFFFAOYSA-O 2 0 386.516 3.044 20 30 GGEDRP C=CCc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc(OC)c1O ZINC000271237171 1434810050 /nfs/dbraw/zinc/81/00/50/1434810050.db2.gz XADXWPAFRDYXLK-UHFFFAOYSA-N 2 0 387.568 3.120 20 30 GGEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278701978 1435415198 /nfs/dbraw/zinc/41/51/98/1435415198.db2.gz QWMAVSWJHWLJSN-LJQANCHMSA-N 2 0 380.540 3.316 20 30 GGEDRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000278839621 1435429428 /nfs/dbraw/zinc/42/94/28/1435429428.db2.gz USJKWHHBTXRUFJ-PKTZIBPZSA-N 2 0 390.531 3.496 20 30 GGEDRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000278839619 1435429440 /nfs/dbraw/zinc/42/94/40/1435429440.db2.gz USJKWHHBTXRUFJ-GOTSBHOMSA-N 2 0 390.531 3.496 20 30 GGEDRP COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)ccc1C#N ZINC000281823005 1435823179 /nfs/dbraw/zinc/82/31/79/1435823179.db2.gz XCTQHFGXORBWID-INIZCTEOSA-N 2 0 382.483 3.309 20 30 GGEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905310 1408947809 /nfs/dbraw/zinc/94/78/09/1408947809.db2.gz XEYYQMNPIYWZRA-FQEVSTJZSA-N 2 0 392.547 3.253 20 30 GGEDRP C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)CN1CC[NH+](C)CC1 ZINC000066905946 1408948585 /nfs/dbraw/zinc/94/85/85/1408948585.db2.gz LEIBSTAOQNSMBN-HXUWFJFHSA-N 2 0 392.547 3.110 20 30 GGEDRP Cc1ccc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NC2CC[NH+](C)CC2)c1 ZINC000067952255 1409263158 /nfs/dbraw/zinc/26/31/58/1409263158.db2.gz PJFRKRSHIPXKJG-UHFFFAOYSA-O 2 0 386.516 3.044 20 30 GGEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868885 1409854612 /nfs/dbraw/zinc/85/46/12/1409854612.db2.gz MSHOCPZUWRNJAJ-NRFANRHFSA-N 2 0 376.504 3.341 20 30 GGEDRP C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072869305 1409854664 /nfs/dbraw/zinc/85/46/64/1409854664.db2.gz DZNZNWNAMYZWJL-OAQYLSRUSA-N 2 0 376.504 3.341 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000073215918 1409859064 /nfs/dbraw/zinc/85/90/64/1409859064.db2.gz WMROUEZPXNTRLB-UXHICEINSA-N 2 0 376.589 3.323 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000080677138 1410010175 /nfs/dbraw/zinc/01/01/75/1410010175.db2.gz YVAKBZPFXUBLSU-JOCHJYFZSA-N 2 0 384.568 3.333 20 30 GGEDRP C[NH+]=C(NCC1CCSCC1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000086861956 1410045101 /nfs/dbraw/zinc/04/51/01/1410045101.db2.gz ZCFMLSLVMMEYPS-WMZOPIPTSA-N 2 0 380.627 3.439 20 30 GGEDRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cccc(C#N)c2)c1)C1CCOCC1 ZINC000102781490 1410750647 /nfs/dbraw/zinc/75/06/47/1410750647.db2.gz NYKFOXNCJQDSFR-UHFFFAOYSA-N 2 0 379.504 3.338 20 30 GGEDRP CC(C)c1cccc(NC(=[NH2+])NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000104181853 1410886471 /nfs/dbraw/zinc/88/64/71/1410886471.db2.gz ZJPRAKRVGFSYMN-UHFFFAOYSA-N 2 0 381.524 3.028 20 30 GGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000105495349 1411071903 /nfs/dbraw/zinc/07/19/03/1411071903.db2.gz UYMUDCKDDBOFSA-GOSISDBHSA-N 2 0 379.504 3.224 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000106328712 1411196311 /nfs/dbraw/zinc/19/63/11/1411196311.db2.gz JCRMABDVMMEHBT-SFHVURJKSA-N 2 0 376.570 3.225 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000106336520 1411196972 /nfs/dbraw/zinc/19/69/72/1411196972.db2.gz VDNSSJNOZZIBBH-QFIPXVFZSA-N 2 0 384.568 3.472 20 30 GGEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC1 ZINC000108932001 1411643220 /nfs/dbraw/zinc/64/32/20/1411643220.db2.gz WJPJUIJPIMLCSH-UHFFFAOYSA-N 2 0 389.543 3.377 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000112215935 1412095164 /nfs/dbraw/zinc/09/51/64/1412095164.db2.gz BKKBPBHBUGAURZ-UHFFFAOYSA-N 2 0 394.629 3.078 20 30 GGEDRP N#Cc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C(N)=O)cc1 ZINC000115599717 1412727299 /nfs/dbraw/zinc/72/72/99/1412727299.db2.gz MRYMHBYUZYFCHT-NRFANRHFSA-N 2 0 396.922 3.240 20 30 GGEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000119992106 1413644707 /nfs/dbraw/zinc/64/47/07/1413644707.db2.gz NTRLVYRNUNMIQA-UHFFFAOYSA-N 2 0 395.507 3.308 20 30 GGEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120228037 1413740389 /nfs/dbraw/zinc/74/03/89/1413740389.db2.gz VTLXHNATJRZHKB-LJQANCHMSA-N 2 0 382.552 3.323 20 30 GGEDRP CCc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000120917852 1413947991 /nfs/dbraw/zinc/94/79/91/1413947991.db2.gz TYGLBIAMUSWRDR-UHFFFAOYSA-O 2 0 396.580 3.468 20 30 GGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000177512009 1428777556 /nfs/dbraw/zinc/77/75/56/1428777556.db2.gz UOPOMYSIXJGIHD-RTBURBONSA-N 2 0 398.551 3.098 20 30 GGEDRP N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(CCC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000122115331 1414365827 /nfs/dbraw/zinc/36/58/27/1414365827.db2.gz AXJKRFMMMYXJHF-JOCHJYFZSA-N 2 0 380.536 3.252 20 30 GGEDRP C[NH+](C)CCCC1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000123244966 1414677386 /nfs/dbraw/zinc/67/73/86/1414677386.db2.gz FDNKLOZJWSCNIO-IBGZPJMESA-N 2 0 391.519 3.277 20 30 GGEDRP C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000125277533 1415150115 /nfs/dbraw/zinc/15/01/15/1415150115.db2.gz PSMIGJAIDCZGPE-MRXNPFEDSA-N 2 0 387.959 3.357 20 30 GGEDRP C[NH+](C)CCN1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000125810576 1415286901 /nfs/dbraw/zinc/28/69/01/1415286901.db2.gz BGQWVWDFRGIIIY-UHFFFAOYSA-N 2 0 392.547 3.253 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000125829983 1415292698 /nfs/dbraw/zinc/29/26/98/1415292698.db2.gz RUXQBDPTRMLYPY-UHFFFAOYSA-N 2 0 376.589 3.369 20 30 GGEDRP C=C(C)COc1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)ccc1OC ZINC000127279301 1415715687 /nfs/dbraw/zinc/71/56/87/1415715687.db2.gz OIDLPDPLPKUYLB-UHFFFAOYSA-N 2 0 396.535 3.087 20 30 GGEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000131929063 1416653658 /nfs/dbraw/zinc/65/36/58/1416653658.db2.gz XYOCMIBEOVRNTD-UHFFFAOYSA-N 2 0 395.507 3.308 20 30 GGEDRP C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000132282478 1416728414 /nfs/dbraw/zinc/72/84/14/1416728414.db2.gz OANRPKVCJVJHGT-INIZCTEOSA-N 2 0 377.558 3.038 20 30 GGEDRP C[C@H](CC#N)Sc1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000132282678 1416728510 /nfs/dbraw/zinc/72/85/10/1416728510.db2.gz OANRPKVCJVJHGT-MRXNPFEDSA-N 2 0 377.558 3.038 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156317137 1423774311 /nfs/dbraw/zinc/77/43/11/1423774311.db2.gz PHLOHZRONMMRPB-VOFPXKNKSA-N 2 0 396.579 3.162 20 30 GGEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000158964052 1424382816 /nfs/dbraw/zinc/38/28/16/1424382816.db2.gz QCDPOFJUQHQCQB-KNQAVFIVSA-N 2 0 385.552 3.274 20 30 GGEDRP Cc1ccccc1C(=O)C(C(=S)NCC(C)(C)C[NH+](C)C)[n+]1ccccc1 ZINC000170715459 1425314469 /nfs/dbraw/zinc/31/44/69/1425314469.db2.gz FVUFECLPAXOTKO-UHFFFAOYSA-O 2 0 384.569 3.399 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000171709524 1425798310 /nfs/dbraw/zinc/79/83/10/1425798310.db2.gz QLWODRQAJIMQHK-IBGZPJMESA-N 2 0 384.568 3.368 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171709526 1425798643 /nfs/dbraw/zinc/79/86/43/1425798643.db2.gz LORHQDCWDWOLBQ-LJQANCHMSA-N 2 0 384.568 3.368 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000171711014 1425799464 /nfs/dbraw/zinc/79/94/64/1425799464.db2.gz GSKMABIJKGUAQK-HXUWFJFHSA-N 2 0 390.959 3.427 20 30 GGEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176245822 1428192159 /nfs/dbraw/zinc/19/21/59/1428192159.db2.gz VOWFJNCZDZMNPF-NRFANRHFSA-N 2 0 382.552 3.103 20 30 GGEDRP Cn1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180213388 1429803635 /nfs/dbraw/zinc/80/36/35/1429803635.db2.gz LIULHMDRTMAPMI-UHFFFAOYSA-N 2 0 393.535 3.036 20 30 GGEDRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182664374 1430512867 /nfs/dbraw/zinc/51/28/67/1430512867.db2.gz WYEMQGBIHUAFBA-QFIPXVFZSA-N 2 0 382.552 3.498 20 30 GGEDRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182664353 1430513029 /nfs/dbraw/zinc/51/30/29/1430513029.db2.gz WYEMQGBIHUAFBA-JOCHJYFZSA-N 2 0 382.552 3.498 20 30 GGEDRP CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000184946399 1431027791 /nfs/dbraw/zinc/02/77/91/1431027791.db2.gz QKZMCRIFNDJDCF-QFIPXVFZSA-N 2 0 378.520 3.189 20 30 GGEDRP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000184953273 1431029372 /nfs/dbraw/zinc/02/93/72/1431029372.db2.gz AENILTILUSSHBV-PGRDOPGGSA-N 2 0 378.520 3.360 20 30 GGEDRP C=C(C)COc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)ccc1OC ZINC000185895961 1431268108 /nfs/dbraw/zinc/26/81/08/1431268108.db2.gz IBQAICBKQKMHHA-UHFFFAOYSA-N 2 0 375.557 3.156 20 30 GGEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)cc2)CC1 ZINC000236962364 1433384363 /nfs/dbraw/zinc/38/43/63/1433384363.db2.gz YBBZVMQVZCWMDB-FQEVSTJZSA-N 2 0 392.547 3.405 20 30 GGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000237486687 1433405860 /nfs/dbraw/zinc/40/58/60/1433405860.db2.gz INGSAXHWSOOCMO-GBXCKJPGSA-N 2 0 392.547 3.446 20 30 GGEDRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245445520 1433469108 /nfs/dbraw/zinc/46/91/08/1433469108.db2.gz KKVUAEHRYWALKN-GMAHTHKFSA-N 2 0 388.515 3.117 20 30 GGEDRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(C#N)c1 ZINC000245957090 1433550754 /nfs/dbraw/zinc/55/07/54/1433550754.db2.gz XMPUGULESJRNIC-HTAPYJJXSA-N 2 0 376.504 3.106 20 30 GGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000245968284 1433551668 /nfs/dbraw/zinc/55/16/68/1433551668.db2.gz ZICYJFLLLSDEMP-GBXCKJPGSA-N 2 0 398.595 3.249 20 30 GGEDRP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000245986472 1433553682 /nfs/dbraw/zinc/55/36/82/1433553682.db2.gz WGEDSWOQCHETSK-GJZGRUSLSA-N 2 0 397.548 3.124 20 30 GGEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000248394021 1433794776 /nfs/dbraw/zinc/79/47/76/1433794776.db2.gz HFQLGAGFPMXNDI-SMKKKYSBSA-N 2 0 393.531 3.044 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261632293 1433897772 /nfs/dbraw/zinc/89/77/72/1433897772.db2.gz CNUXCFCVXTVMJG-BHDDXSALSA-N 2 0 396.579 3.164 20 30 GGEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000261692072 1433899176 /nfs/dbraw/zinc/89/91/76/1433899176.db2.gz RWDLKLOWONEUBT-PWRODBHTSA-N 2 0 388.600 3.296 20 30 GGEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000261769923 1433902922 /nfs/dbraw/zinc/90/29/22/1433902922.db2.gz PCOCZTTXNWZQIX-PWRODBHTSA-N 2 0 388.600 3.296 20 30 GGEDRP COc1ccc(NC(=[NH2+])NCC2([NH+]3CCSCC3)CCCC2)cc1Cl ZINC000261990926 1433919712 /nfs/dbraw/zinc/91/97/12/1433919712.db2.gz LYDVWADCHVMQTR-UHFFFAOYSA-N 2 0 382.961 3.437 20 30 GGEDRP [NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)Nc1cccc2c1CCCC2 ZINC000262287400 1433933777 /nfs/dbraw/zinc/93/37/77/1433933777.db2.gz XVPHOSFUHMPZNQ-HXUWFJFHSA-N 2 0 378.520 3.059 20 30 GGEDRP CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262336889 1433935685 /nfs/dbraw/zinc/93/56/85/1433935685.db2.gz BZCJXUQLWFPOQP-YTFSRNRJSA-N 2 0 396.579 3.374 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000262389170 1433937402 /nfs/dbraw/zinc/93/74/02/1433937402.db2.gz LVDNEITVRHFBIR-BHDDXSALSA-N 2 0 398.595 3.328 20 30 GGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)N1CCC2(C1)CCOCC2 ZINC000262424596 1433938634 /nfs/dbraw/zinc/93/86/34/1433938634.db2.gz RLTKLSODSWKBQW-HKUYNNGSSA-N 2 0 390.597 3.209 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000262457547 1433939841 /nfs/dbraw/zinc/93/98/41/1433939841.db2.gz WYNGGFIJGCOXSP-BDTNDASRSA-N 2 0 398.595 3.062 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000262457549 1433939848 /nfs/dbraw/zinc/93/98/48/1433939848.db2.gz WYNGGFIJGCOXSP-BHDDXSALSA-N 2 0 398.595 3.062 20 30 GGEDRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CCOc2ccccc21 ZINC000262493086 1433941398 /nfs/dbraw/zinc/94/13/98/1433941398.db2.gz JQEXGOLYYCNAPX-VQIMIIECSA-N 2 0 384.549 3.388 20 30 GGEDRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CCOc2ccccc21 ZINC000262493081 1433941469 /nfs/dbraw/zinc/94/14/69/1433941469.db2.gz JQEXGOLYYCNAPX-QFBILLFUSA-N 2 0 384.549 3.388 20 30 GGEDRP [NH2+]=C(NC[C@H]1CCOc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262513871 1433941945 /nfs/dbraw/zinc/94/19/45/1433941945.db2.gz FMHUMMXLNYQJFT-LJQANCHMSA-N 2 0 378.520 3.122 20 30 GGEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCC(O)CC1)Nc1cccc2c1CCCC2 ZINC000262532816 1433942581 /nfs/dbraw/zinc/94/25/81/1433942581.db2.gz OMMLURMJJVWKQW-UHFFFAOYSA-N 2 0 392.547 3.449 20 30 GGEDRP [NH2+]=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H]1CCOc2ccccc21 ZINC000262553970 1433943202 /nfs/dbraw/zinc/94/32/02/1433943202.db2.gz UKCCBDDOOONDFN-IBGZPJMESA-N 2 0 384.549 3.388 20 30 GGEDRP [NH2+]=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262697078 1433950614 /nfs/dbraw/zinc/95/06/14/1433950614.db2.gz FDUMYVDOWMAPJN-YLJYHZDGSA-N 2 0 384.474 3.390 20 30 GGEDRP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262774785 1433955287 /nfs/dbraw/zinc/95/52/87/1433955287.db2.gz KMSCVGOGVBVYAY-UYAOXDASSA-N 2 0 390.535 3.143 20 30 GGEDRP C[NH+]=C(NCC1(c2cccc(OC)c2)CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262783458 1433956033 /nfs/dbraw/zinc/95/60/33/1433956033.db2.gz LYNVNFHAEPWIAN-FQEVSTJZSA-N 2 0 382.552 3.029 20 30 GGEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N1CCC2(C1)CCOCC2 ZINC000262802382 1433957432 /nfs/dbraw/zinc/95/74/32/1433957432.db2.gz RFSZXRUGXDBKJB-FQEVSTJZSA-N 2 0 376.589 3.109 20 30 GGEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000264130597 1434074326 /nfs/dbraw/zinc/07/43/26/1434074326.db2.gz XVJPOOKLHYWCKA-OAHLLOKOSA-N 2 0 388.537 3.404 20 30 GGEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000264130595 1434074407 /nfs/dbraw/zinc/07/44/07/1434074407.db2.gz XVJPOOKLHYWCKA-HNNXBMFYSA-N 2 0 388.537 3.404 20 30 GGEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)Nc1ccc2c(c1)CCC2 ZINC000267433883 1434432502 /nfs/dbraw/zinc/43/25/02/1434432502.db2.gz NFUSMRMXXLBKPK-UHFFFAOYSA-N 2 0 378.520 3.059 20 30 GGEDRP C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000267935019 1434478818 /nfs/dbraw/zinc/47/88/18/1434478818.db2.gz NVCDYULLNDVEEQ-UHFFFAOYSA-N 2 0 385.556 3.414 20 30 GGEDRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1)C1CCOCC1 ZINC000269431602 1434644534 /nfs/dbraw/zinc/64/45/34/1434644534.db2.gz PWENPZLJWIBEGO-UHFFFAOYSA-N 2 0 397.494 3.477 20 30 GGEDRP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(C#N)cc1 ZINC000271653550 1434842073 /nfs/dbraw/zinc/84/20/73/1434842073.db2.gz JOLFHEURWHNHHJ-QGZVFWFLSA-N 2 0 394.544 3.396 20 30 GGEDRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)c(F)c1 ZINC000271938913 1434860561 /nfs/dbraw/zinc/86/05/61/1434860561.db2.gz KZNJNHOTDIINLR-IIBYNOLFSA-N 2 0 394.494 3.245 20 30 GGEDRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)c(F)c1 ZINC000271938905 1434860631 /nfs/dbraw/zinc/86/06/31/1434860631.db2.gz KZNJNHOTDIINLR-HRAATJIYSA-N 2 0 394.494 3.245 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272414668 1434894774 /nfs/dbraw/zinc/89/47/74/1434894774.db2.gz LVSMOMQLAHYHPY-CTNGQTDRSA-N 2 0 384.568 3.237 20 30 GGEDRP CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000277021479 1435252687 /nfs/dbraw/zinc/25/26/87/1435252687.db2.gz AKAYPINXOAGZQD-IBGZPJMESA-N 2 0 381.524 3.493 20 30 GGEDRP N#Cc1ccc(NC2CC[NH+](C3CC3)CC2)nc1NC1CC[NH+](C2CC2)CC1 ZINC000278143843 1435363738 /nfs/dbraw/zinc/36/37/38/1435363738.db2.gz ASTAVMMNIJAHJQ-UHFFFAOYSA-N 2 0 380.540 3.031 20 30 GGEDRP C[N@H+](CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000278548427 1435399022 /nfs/dbraw/zinc/39/90/22/1435399022.db2.gz BDJBDUVBINHALN-UHFFFAOYSA-N 2 0 388.519 3.470 20 30 GGEDRP CC1CC[NH+](CCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278748187 1435419739 /nfs/dbraw/zinc/41/97/39/1435419739.db2.gz WANQPVDIBWQXFY-UHFFFAOYSA-N 2 0 380.540 3.460 20 30 GGEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000046313648 1404360284 /nfs/dbraw/zinc/36/02/84/1404360284.db2.gz WGBHUBKRNNVDGJ-QFIPXVFZSA-N 2 0 399.583 3.142 20 30 GGEDRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OCCCC#N ZINC000064614519 1408586034 /nfs/dbraw/zinc/58/60/34/1408586034.db2.gz XKJHVJDVLXUHND-OALUTQOASA-N 2 0 389.540 3.357 20 30 GGEDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905242 1408947959 /nfs/dbraw/zinc/94/79/59/1408947959.db2.gz IMSIYXBAAHHKSG-UHFFFAOYSA-N 2 0 392.547 3.253 20 30 GGEDRP C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)CN1CC[NH+](C)CC1 ZINC000066905945 1408948652 /nfs/dbraw/zinc/94/86/52/1408948652.db2.gz LEIBSTAOQNSMBN-FQEVSTJZSA-N 2 0 392.547 3.110 20 30 GGEDRP CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000069785302 1409698594 /nfs/dbraw/zinc/69/85/94/1409698594.db2.gz DTTKEDLIGQKPQW-UHFFFAOYSA-N 2 0 391.563 3.074 20 30 GGEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000176712008 1428426661 /nfs/dbraw/zinc/42/66/61/1428426661.db2.gz ZOYVZOXUADBQLZ-LJQANCHMSA-N 2 0 382.533 3.357 20 30 GGEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000176720019 1428432459 /nfs/dbraw/zinc/43/24/59/1428432459.db2.gz NICMVURXOXDDPF-IBGZPJMESA-N 2 0 382.533 3.357 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000073215920 1409859081 /nfs/dbraw/zinc/85/90/81/1409859081.db2.gz WMROUEZPXNTRLB-PMACEKPBSA-N 2 0 376.589 3.323 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080119845 1410000958 /nfs/dbraw/zinc/00/09/58/1410000958.db2.gz OTTBMKDABKCCOH-DENIHFKCSA-N 2 0 384.568 3.379 20 30 GGEDRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000091792291 1410081569 /nfs/dbraw/zinc/08/15/69/1410081569.db2.gz BNZQSQOACJPJNV-UHFFFAOYSA-N 2 0 378.520 3.211 20 30 GGEDRP C#CCCOc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000092426801 1410157032 /nfs/dbraw/zinc/15/70/32/1410157032.db2.gz ZOTCPACWFZXQFZ-UHFFFAOYSA-N 2 0 399.579 3.005 20 30 GGEDRP CC[NH+]1CCN(c2ccccc2C[N@H+](CCOC)Cc2ccc(C#N)cc2)CC1 ZINC000092567894 1410174606 /nfs/dbraw/zinc/17/46/06/1410174606.db2.gz RXEWTMBCBMTLQQ-UHFFFAOYSA-N 2 0 392.547 3.349 20 30 GGEDRP Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(CN3CCC[N@@H+](C)CC3)cc2)c1 ZINC000104180957 1410886147 /nfs/dbraw/zinc/88/61/47/1410886147.db2.gz WTDHJYGFPQFAST-UHFFFAOYSA-N 2 0 379.552 3.368 20 30 GGEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000104167028 1410886373 /nfs/dbraw/zinc/88/63/73/1410886373.db2.gz AJERWZKYZLSWKW-LJQANCHMSA-N 2 0 384.524 3.384 20 30 GGEDRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)cc1 ZINC000104193802 1410886538 /nfs/dbraw/zinc/88/65/38/1410886538.db2.gz RTBOEGLJDFCKMY-UHFFFAOYSA-N 2 0 398.507 3.105 20 30 GGEDRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc(C#N)s2)c1)C1CCOCC1 ZINC000176962079 1428532091 /nfs/dbraw/zinc/53/20/91/1428532091.db2.gz JBOWNBPVCMYPTH-UHFFFAOYSA-N 2 0 385.533 3.399 20 30 GGEDRP C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)CN1CC[NH+](C)CC1 ZINC000105439883 1411066997 /nfs/dbraw/zinc/06/69/97/1411066997.db2.gz MCVJEXKTKZIJKB-HXUWFJFHSA-N 2 0 392.547 3.110 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000106340629 1411198319 /nfs/dbraw/zinc/19/83/19/1411198319.db2.gz GVPHWPDPMRGIFM-FQEVSTJZSA-N 2 0 376.589 3.180 20 30 GGEDRP C[NH+](C)CCN1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000109015278 1411661043 /nfs/dbraw/zinc/66/10/43/1411661043.db2.gz INQZPCGTSRLUSF-UHFFFAOYSA-N 2 0 392.547 3.253 20 30 GGEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000114748638 1412518106 /nfs/dbraw/zinc/51/81/06/1412518106.db2.gz CUGKPCKBDNTHRP-QFIPXVFZSA-N 2 0 376.504 3.295 20 30 GGEDRP C[NH+]=C(NCc1c(C)noc1C)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000119505815 1413469014 /nfs/dbraw/zinc/46/90/14/1413469014.db2.gz CBPSDNPYGLKHBD-IFMALSPDSA-N 2 0 395.551 3.353 20 30 GGEDRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cc(C#N)cs2)c1)C1CCOCC1 ZINC000177695739 1428835311 /nfs/dbraw/zinc/83/53/11/1428835311.db2.gz IMJBOHKIFWLZQT-UHFFFAOYSA-N 2 0 385.533 3.399 20 30 GGEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178169476 1429005509 /nfs/dbraw/zinc/00/55/09/1429005509.db2.gz QYDYBTKHVRZAMS-NRFANRHFSA-N 2 0 382.552 3.103 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000178172536 1429006898 /nfs/dbraw/zinc/00/68/98/1429006898.db2.gz AUMJFXNHEQCHAF-RTBURBONSA-N 2 0 384.568 3.093 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000178775061 1429167068 /nfs/dbraw/zinc/16/70/68/1429167068.db2.gz GODILOYQRNRSKW-JTHBVZDNSA-N 2 0 396.579 3.333 20 30 GGEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000156181597 1423708795 /nfs/dbraw/zinc/70/87/95/1423708795.db2.gz YRPATCDDJLABMT-UHFFFAOYSA-N 2 0 389.971 3.252 20 30 GGEDRP CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000157921113 1424119981 /nfs/dbraw/zinc/11/99/81/1424119981.db2.gz IGDNMLYJOVFTHV-QFIPXVFZSA-N 2 0 378.520 3.188 20 30 GGEDRP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000157921269 1424120060 /nfs/dbraw/zinc/12/00/60/1424120060.db2.gz IGDNMLYJOVFTHV-JOCHJYFZSA-N 2 0 378.520 3.188 20 30 GGEDRP Cn1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180058674 1429718338 /nfs/dbraw/zinc/71/83/38/1429718338.db2.gz PQMJPGTUNTTWNG-UHFFFAOYSA-N 2 0 389.503 3.189 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000160084941 1424571604 /nfs/dbraw/zinc/57/16/04/1424571604.db2.gz SDDDRUVIOHQDSE-QFIPXVFZSA-N 2 0 384.568 3.333 20 30 GGEDRP C[NH+](C)CCOc1ccccc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160694832 1424627080 /nfs/dbraw/zinc/62/70/80/1424627080.db2.gz GRDQPELPTQDJIL-UHFFFAOYSA-N 2 0 396.413 3.452 20 30 GGEDRP Cc1ccc[n+](C(C(=O)c2ccccc2)C(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000170715486 1425314627 /nfs/dbraw/zinc/31/46/27/1425314627.db2.gz ONVVKWBFZSPPIM-UHFFFAOYSA-O 2 0 384.569 3.399 20 30 GGEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])NCc3ccccc3OC)CC2)cc1 ZINC000170911525 1425388255 /nfs/dbraw/zinc/38/82/55/1425388255.db2.gz JUZQOUNYWAVQIH-UHFFFAOYSA-N 2 0 396.535 3.020 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000171637538 1425768834 /nfs/dbraw/zinc/76/88/34/1425768834.db2.gz GYCHKUROANNNFU-UHFFFAOYSA-N 2 0 388.581 3.050 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)CC1 ZINC000171705620 1425795785 /nfs/dbraw/zinc/79/57/85/1425795785.db2.gz RGTZFMPBFWCFEN-OAQYLSRUSA-N 2 0 388.556 3.028 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)CC1 ZINC000171705616 1425795806 /nfs/dbraw/zinc/79/58/06/1425795806.db2.gz RGTZFMPBFWCFEN-NRFANRHFSA-N 2 0 388.556 3.028 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000171709523 1425798264 /nfs/dbraw/zinc/79/82/64/1425798264.db2.gz QLWODRQAJIMQHK-LJQANCHMSA-N 2 0 384.568 3.368 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000171711009 1425799063 /nfs/dbraw/zinc/79/90/63/1425799063.db2.gz GSKMABIJKGUAQK-FQEVSTJZSA-N 2 0 390.959 3.427 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000171721675 1425803276 /nfs/dbraw/zinc/80/32/76/1425803276.db2.gz CYMZIHKNSVECFI-JOCHJYFZSA-N 2 0 384.568 3.409 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000172584938 1426098122 /nfs/dbraw/zinc/09/81/22/1426098122.db2.gz BKHYVRFSBLHZAE-DENIHFKCSA-N 2 0 384.568 3.331 20 30 GGEDRP CN(CCC#N)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000180985660 1430153146 /nfs/dbraw/zinc/15/31/46/1430153146.db2.gz NRRDNVHBSJINMG-XMMPIXPASA-N 2 0 392.547 3.283 20 30 GGEDRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181412750 1430291524 /nfs/dbraw/zinc/29/15/24/1430291524.db2.gz GLAYJKHVVKVGBP-HXUWFJFHSA-N 2 0 378.520 3.057 20 30 GGEDRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181412731 1430291806 /nfs/dbraw/zinc/29/18/06/1430291806.db2.gz GLAYJKHVVKVGBP-FQEVSTJZSA-N 2 0 378.520 3.057 20 30 GGEDRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(OCC#N)cc1 ZINC000181707092 1430344745 /nfs/dbraw/zinc/34/47/45/1430344745.db2.gz VWXPYIPVEAFDNG-GOSISDBHSA-N 2 0 379.504 3.396 20 30 GGEDRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(C#N)c1 ZINC000181726316 1430348219 /nfs/dbraw/zinc/34/82/19/1430348219.db2.gz XMPUGULESJRNIC-JTSKRJEESA-N 2 0 376.504 3.106 20 30 GGEDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(OCC#N)cc1 ZINC000181860356 1430373332 /nfs/dbraw/zinc/37/33/32/1430373332.db2.gz CFEZNBHCCDTVLF-GOSISDBHSA-N 2 0 379.504 3.396 20 30 GGEDRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000181973964 1430390643 /nfs/dbraw/zinc/39/06/43/1430390643.db2.gz UNECFAQVNDAKHB-SFHVURJKSA-N 2 0 376.504 3.235 20 30 GGEDRP COc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cc1C#N ZINC000182051844 1430402271 /nfs/dbraw/zinc/40/22/71/1430402271.db2.gz VDOLMDKHOHPPPB-UHFFFAOYSA-N 2 0 379.504 3.374 20 30 GGEDRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000184953251 1431029453 /nfs/dbraw/zinc/02/94/53/1431029453.db2.gz AENILTILUSSHBV-AVRDEDQJSA-N 2 0 378.520 3.360 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000187837222 1431818347 /nfs/dbraw/zinc/81/83/47/1431818347.db2.gz KIXDHLPSAHEWFK-JOCHJYFZSA-N 2 0 384.568 3.237 20 30 GGEDRP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000193846810 1433072189 /nfs/dbraw/zinc/07/21/89/1433072189.db2.gz VSMFYUBBCLDZAC-UHFFFAOYSA-N 2 0 397.567 3.038 20 30 GGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000237486737 1433405890 /nfs/dbraw/zinc/40/58/90/1433405890.db2.gz SKZTYRKPXXBWLZ-NRFANRHFSA-N 2 0 392.547 3.275 20 30 GGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000237593136 1433411273 /nfs/dbraw/zinc/41/12/73/1433411273.db2.gz SKZTYRKPXXBWLZ-OAQYLSRUSA-N 2 0 392.547 3.275 20 30 GGEDRP CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245721713 1433505941 /nfs/dbraw/zinc/50/59/41/1433505941.db2.gz PTVUYSKTPHNFOS-FGZHOGPDSA-N 2 0 382.552 3.162 20 30 GGEDRP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000245986469 1433553409 /nfs/dbraw/zinc/55/34/09/1433553409.db2.gz WGEDSWOQCHETSK-CABCVRRESA-N 2 0 397.548 3.124 20 30 GGEDRP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000246000349 1433555867 /nfs/dbraw/zinc/55/58/67/1433555867.db2.gz YDECFKWQKNLMCT-UXHICEINSA-N 2 0 393.535 3.318 20 30 GGEDRP COc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1C#N ZINC000246163122 1433576664 /nfs/dbraw/zinc/57/66/64/1433576664.db2.gz MAVDDTZFWOLTBI-JOCHJYFZSA-N 2 0 378.520 3.035 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000261673263 1433898609 /nfs/dbraw/zinc/89/86/09/1433898609.db2.gz GZUPQUNWWXANAF-RQXATKFSSA-N 2 0 384.568 3.018 20 30 GGEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000261769915 1433902866 /nfs/dbraw/zinc/90/28/66/1433902866.db2.gz PCOCZTTXNWZQIX-HBMCJLEFSA-N 2 0 388.600 3.296 20 30 GGEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000261772894 1433902872 /nfs/dbraw/zinc/90/28/72/1433902872.db2.gz NEWKXOOUWOTQQW-QHCPKHFHSA-N 2 0 398.595 3.043 20 30 GGEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000261772889 1433902938 /nfs/dbraw/zinc/90/29/38/1433902938.db2.gz NEWKXOOUWOTQQW-HSZRJFAPSA-N 2 0 398.595 3.043 20 30 GGEDRP CC[NH+]=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@]2(CCOC2)C1 ZINC000261962060 1433917055 /nfs/dbraw/zinc/91/70/55/1433917055.db2.gz KJYJBPVSHQBTIE-NRFANRHFSA-N 2 0 390.597 3.038 20 30 GGEDRP C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261978479 1433918561 /nfs/dbraw/zinc/91/85/61/1433918561.db2.gz OGEAAYWBPOFVEY-XHDPSFHLSA-N 2 0 377.945 3.097 20 30 GGEDRP CC[NH+]=C(NCc1csc(Br)c1)NC1CC[NH+](C(C)C)CC1 ZINC000262290263 1433933718 /nfs/dbraw/zinc/93/37/18/1433933718.db2.gz YMOYYMVFWPWMTN-UHFFFAOYSA-N 2 0 387.391 3.439 20 30 GGEDRP C[NH+]=C(NCc1ccc(Br)s1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262428526 1433938655 /nfs/dbraw/zinc/93/86/55/1433938655.db2.gz DHAVKWBTLYGPOM-CYBMUJFWSA-N 2 0 385.375 3.146 20 30 GGEDRP C[NH+]=C(NCc1cc(Br)cs1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262432450 1433938812 /nfs/dbraw/zinc/93/88/12/1433938812.db2.gz FKZQYGKLVGOBIH-CQSZACIVSA-N 2 0 385.375 3.146 20 30 GGEDRP C[NH+]=C(NCc1cc(Br)cs1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262432448 1433938927 /nfs/dbraw/zinc/93/89/27/1433938927.db2.gz FKZQYGKLVGOBIH-AWEZNQCLSA-N 2 0 385.375 3.146 20 30 GGEDRP C[NH+]=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262483778 1433941069 /nfs/dbraw/zinc/94/10/69/1433941069.db2.gz SCKUSDURQHLZNM-RTBURBONSA-N 2 0 389.613 3.021 20 30 GGEDRP [NH2+]=C(NCC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCOc2ccccc21 ZINC000262571198 1433944265 /nfs/dbraw/zinc/94/42/65/1433944265.db2.gz ZDOOKKVDPADVSH-NRFANRHFSA-N 2 0 378.520 3.327 20 30 GGEDRP [NH2+]=C(NCC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000262571205 1433944284 /nfs/dbraw/zinc/94/42/84/1433944284.db2.gz ZDOOKKVDPADVSH-OAQYLSRUSA-N 2 0 378.520 3.327 20 30 GGEDRP CC[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262757790 1433953851 /nfs/dbraw/zinc/95/38/51/1433953851.db2.gz BZSSDSRHFISOJJ-SFHVURJKSA-N 2 0 385.943 3.275 20 30 GGEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N(C)Cc1cc2ccccc2o1 ZINC000262761718 1433954250 /nfs/dbraw/zinc/95/42/50/1433954250.db2.gz DJPNHKFQOGKVBS-UHFFFAOYSA-N 2 0 384.524 3.085 20 30 GGEDRP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000262774778 1433955244 /nfs/dbraw/zinc/95/52/44/1433955244.db2.gz KMSCVGOGVBVYAY-AZUAARDMSA-N 2 0 390.535 3.143 20 30 GGEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N(C)Cc1c(F)cccc1Cl ZINC000262826260 1433959412 /nfs/dbraw/zinc/95/94/12/1433959412.db2.gz ZRVGAXSYRDXZNR-UHFFFAOYSA-N 2 0 396.938 3.131 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000264364775 1434103098 /nfs/dbraw/zinc/10/30/98/1434103098.db2.gz HRGVNKLJOMSIOY-UHFFFAOYSA-N 2 0 390.597 3.300 20 30 GGEDRP C[NH+](C)C1CCN(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000267242889 1434416353 /nfs/dbraw/zinc/41/63/53/1434416353.db2.gz YABZQVFNTKNLEH-UHFFFAOYSA-N 2 0 392.547 3.253 20 30 GGEDRP C=CCOc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1OC ZINC000271231302 1434809645 /nfs/dbraw/zinc/80/96/45/1434809645.db2.gz UNNVGTGNNKPXMA-UHFFFAOYSA-N 2 0 387.568 3.250 20 30 GGEDRP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(C#N)cc1 ZINC000271653547 1434842039 /nfs/dbraw/zinc/84/20/39/1434842039.db2.gz JOLFHEURWHNHHJ-KRWDZBQOSA-N 2 0 394.544 3.396 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272414672 1434894745 /nfs/dbraw/zinc/89/47/45/1434894745.db2.gz LVSMOMQLAHYHPY-PZJWPPBQSA-N 2 0 384.568 3.237 20 30 GGEDRP C[NH+](C)CCCC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279423750 1435497589 /nfs/dbraw/zinc/49/75/89/1435497589.db2.gz PIEAWEHHERTUPH-UHFFFAOYSA-N 2 0 380.540 3.413 20 30 GGEDRP C[C@H]([NH2+]CCC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1 ZINC000824590273 608468565 /nfs/dbraw/zinc/46/85/65/608468565.db2.gz AXVDVQMZSFTASZ-HOTGVXAUSA-N 2 0 375.480 3.130 20 30 GGEDRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000044277298 1403912097 /nfs/dbraw/zinc/91/20/97/1403912097.db2.gz UCSCLWLPESOJGT-UHFFFAOYSA-N 2 0 391.519 3.360 20 30 GGEDRP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCC[C@H]1C ZINC000046338947 1404370057 /nfs/dbraw/zinc/37/00/57/1404370057.db2.gz QIJRSHNLZJAOCN-UXHICEINSA-N 2 0 397.567 3.038 20 30 GGEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047703136 1404895892 /nfs/dbraw/zinc/89/58/92/1404895892.db2.gz ZFJFHIXUHVKDSB-HXUWFJFHSA-N 2 0 392.547 3.253 20 30 GGEDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047701530 1404895971 /nfs/dbraw/zinc/89/59/71/1404895971.db2.gz KSARSCRDNPEQQU-UHFFFAOYSA-N 2 0 392.547 3.253 20 30 GGEDRP Cc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccccc2)cc1C ZINC000063441358 1408354244 /nfs/dbraw/zinc/35/42/44/1408354244.db2.gz OFTAJWQCQNGADG-UHFFFAOYSA-O 2 0 382.553 3.214 20 30 GGEDRP Cc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccc(C)cc2)cc1 ZINC000063441443 1408354876 /nfs/dbraw/zinc/35/48/76/1408354876.db2.gz ZEMPJLCTQLKSHG-UHFFFAOYSA-O 2 0 382.553 3.214 20 30 GGEDRP Cc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccc(C)cc2)s1 ZINC000063441651 1408355119 /nfs/dbraw/zinc/35/51/19/1408355119.db2.gz AMSAFBRUFRJFBE-UHFFFAOYSA-O 2 0 388.582 3.275 20 30 GGEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000065930266 1408755775 /nfs/dbraw/zinc/75/57/75/1408755775.db2.gz ONLDGUVEAQOUBU-UHFFFAOYSA-N 2 0 390.531 3.358 20 30 GGEDRP Cc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000067952271 1409263230 /nfs/dbraw/zinc/26/32/30/1409263230.db2.gz CMGMLCBZZLYUEB-UHFFFAOYSA-O 2 0 382.553 3.214 20 30 GGEDRP Cc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2cccc(C)c2)cc1 ZINC000067952257 1409263247 /nfs/dbraw/zinc/26/32/47/1409263247.db2.gz LLOIMUVGQNSZGK-UHFFFAOYSA-O 2 0 382.553 3.214 20 30 GGEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076331799 1409887555 /nfs/dbraw/zinc/88/75/55/1409887555.db2.gz VRXJLJNITMUUKY-QGZVFWFLSA-N 2 0 377.920 3.091 20 30 GGEDRP CC(C)(CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000083031432 1410027225 /nfs/dbraw/zinc/02/72/25/1410027225.db2.gz VXQWFEAPXHDTQZ-FQEVSTJZSA-N 2 0 378.520 3.251 20 30 GGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000105495348 1411072172 /nfs/dbraw/zinc/07/21/72/1411072172.db2.gz UYMUDCKDDBOFSA-SFHVURJKSA-N 2 0 379.504 3.224 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000106340630 1411198423 /nfs/dbraw/zinc/19/84/23/1411198423.db2.gz GVPHWPDPMRGIFM-HXUWFJFHSA-N 2 0 376.589 3.180 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000106340909 1411198630 /nfs/dbraw/zinc/19/86/30/1411198630.db2.gz YRSTYWCZWNFXHA-QFIPXVFZSA-N 2 0 399.583 3.118 20 30 GGEDRP C#CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000113336505 1412294135 /nfs/dbraw/zinc/29/41/35/1412294135.db2.gz IQQLSQAEAGVWAY-SFHVURJKSA-N 2 0 381.495 3.440 20 30 GGEDRP C#CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000113336508 1412294319 /nfs/dbraw/zinc/29/43/19/1412294319.db2.gz IQQLSQAEAGVWAY-GOSISDBHSA-N 2 0 381.495 3.440 20 30 GGEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000114747417 1412517042 /nfs/dbraw/zinc/51/70/42/1412517042.db2.gz PLQDIPJWUPWUNL-RBUKOAKNSA-N 2 0 390.531 3.378 20 30 GGEDRP C[NH+]=C(NCc1c(C)noc1C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000119506083 1413469221 /nfs/dbraw/zinc/46/92/21/1413469221.db2.gz CBPSDNPYGLKHBD-RBBKRZOGSA-N 2 0 395.551 3.353 20 30 GGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000177482031 1428761698 /nfs/dbraw/zinc/76/16/98/1428761698.db2.gz VZZDCQSEAYSLLW-RTBURBONSA-N 2 0 398.551 3.098 20 30 GGEDRP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121887504 1414291530 /nfs/dbraw/zinc/29/15/30/1414291530.db2.gz AWTWSDAKVJOUKA-JOCHJYFZSA-N 2 0 385.552 3.080 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000177868889 1428878373 /nfs/dbraw/zinc/87/83/73/1428878373.db2.gz PNBMWRWKTZLJNL-LJQANCHMSA-N 2 0 376.589 3.323 20 30 GGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128212184 1415940011 /nfs/dbraw/zinc/94/00/11/1415940011.db2.gz DIHBWCGUQYXBNE-AEFFLSMTSA-N 2 0 379.932 3.056 20 30 GGEDRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccc(C#N)s2)CC1)Cc1ccccc1 ZINC000130907378 1416478812 /nfs/dbraw/zinc/47/88/12/1416478812.db2.gz QTUKWYGXRKBOLP-UHFFFAOYSA-N 2 0 396.560 3.080 20 30 GGEDRP C[N@H+](CCNC(=O)C1CC[NH+](CC(C)(C)CCC#N)CC1)Cc1ccccc1 ZINC000130911646 1416479951 /nfs/dbraw/zinc/47/99/51/1416479951.db2.gz DFZYYXXLYRORFS-UHFFFAOYSA-N 2 0 384.568 3.277 20 30 GGEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135251806 1417196802 /nfs/dbraw/zinc/19/68/02/1417196802.db2.gz GDVCTUIYFKAXPE-UHFFFAOYSA-N 2 0 398.595 3.404 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000178775039 1429167000 /nfs/dbraw/zinc/16/70/00/1429167000.db2.gz GODILOYQRNRSKW-FYYLOGMGSA-N 2 0 396.579 3.333 20 30 GGEDRP Cc1oc(NC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000179392456 1429355804 /nfs/dbraw/zinc/35/58/04/1429355804.db2.gz CMJVSYQSHYUXGC-UHFFFAOYSA-N 2 0 395.507 3.340 20 30 GGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C(C)C ZINC000156579249 1423831423 /nfs/dbraw/zinc/83/14/23/1423831423.db2.gz RAUCIVQHSYEUQF-LEWJYISDSA-N 2 0 376.589 3.345 20 30 GGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000156579623 1423831597 /nfs/dbraw/zinc/83/15/97/1423831597.db2.gz RAUCIVQHSYEUQF-RTWAWAEBSA-N 2 0 376.589 3.345 20 30 GGEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000159020389 1424397950 /nfs/dbraw/zinc/39/79/50/1424397950.db2.gz HHMVPOGCYJVLAO-OFNKIYASSA-N 2 0 399.579 3.469 20 30 GGEDRP COc1ccc(NC(=[NH2+])NCC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000170910634 1425388661 /nfs/dbraw/zinc/38/86/61/1425388661.db2.gz SBQSXXJOBZYJMW-UHFFFAOYSA-N 2 0 382.508 3.343 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000171717056 1425801533 /nfs/dbraw/zinc/80/15/33/1425801533.db2.gz UDRJXCXYWXISDD-HXUWFJFHSA-N 2 0 395.469 3.208 20 30 GGEDRP COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1C#N ZINC000174352528 1427116085 /nfs/dbraw/zinc/11/60/85/1427116085.db2.gz QNNNOPKMCVFKAV-INIZCTEOSA-N 2 0 382.483 3.309 20 30 GGEDRP CC(C)[NH+](CCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000174359315 1427118841 /nfs/dbraw/zinc/11/88/41/1427118841.db2.gz STJBJGRIBJJQTN-UHFFFAOYSA-N 2 0 399.583 3.284 20 30 GGEDRP C=CCc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc(OC)c1O ZINC000180798104 1430046251 /nfs/dbraw/zinc/04/62/51/1430046251.db2.gz JWWJXBOZCFUQPC-UHFFFAOYSA-N 2 0 388.552 3.454 20 30 GGEDRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181524386 1430315192 /nfs/dbraw/zinc/31/51/92/1430315192.db2.gz QEVCLGQGZWQQFX-UHFFFAOYSA-N 2 0 392.547 3.253 20 30 GGEDRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000181616186 1430328727 /nfs/dbraw/zinc/32/87/27/1430328727.db2.gz DFCNPUQAQPVAFL-WOJBJXKFSA-N 2 0 384.568 3.002 20 30 GGEDRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181627007 1430330381 /nfs/dbraw/zinc/33/03/81/1430330381.db2.gz SFDUMHSAJSPYFM-UHFFFAOYSA-N 2 0 392.547 3.253 20 30 GGEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181633324 1430331742 /nfs/dbraw/zinc/33/17/42/1430331742.db2.gz RMLDVDLIYXFFEN-GOSISDBHSA-N 2 0 390.547 3.043 20 30 GGEDRP N#Cc1ccc(CN2CCC([NH2+]CCc3cc(F)cc4c3OCOC4)CC2)cc1 ZINC000181688854 1430341945 /nfs/dbraw/zinc/34/19/45/1430341945.db2.gz JJESDDQFPRVMGZ-UHFFFAOYSA-N 2 0 395.478 3.361 20 30 GGEDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(OCC#N)cc1 ZINC000181707068 1430344770 /nfs/dbraw/zinc/34/47/70/1430344770.db2.gz VWXPYIPVEAFDNG-SFHVURJKSA-N 2 0 379.504 3.396 20 30 GGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC000181756994 1430353176 /nfs/dbraw/zinc/35/31/76/1430353176.db2.gz ZICYJFLLLSDEMP-HYBUGGRVSA-N 2 0 398.595 3.249 20 30 GGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC000181756976 1430353299 /nfs/dbraw/zinc/35/32/99/1430353299.db2.gz ZICYJFLLLSDEMP-YKSBVNFPSA-N 2 0 398.595 3.249 20 30 GGEDRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000181974092 1430390724 /nfs/dbraw/zinc/39/07/24/1430390724.db2.gz NPTCKORQXAOPNP-SFHVURJKSA-N 2 0 376.504 3.235 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000187260120 1431670298 /nfs/dbraw/zinc/67/02/98/1431670298.db2.gz FKFIUVPTEKKMNP-SFHVURJKSA-N 2 0 398.473 3.258 20 30 GGEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000195235606 1433310446 /nfs/dbraw/zinc/31/04/46/1433310446.db2.gz ZOGOPTGCWBRQND-UHFFFAOYSA-N 2 0 379.508 3.216 20 30 GGEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000236957890 1433383999 /nfs/dbraw/zinc/38/39/99/1433383999.db2.gz SWHXVYBHTBOJMD-FQEVSTJZSA-N 2 0 392.547 3.405 20 30 GGEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236957918 1433384111 /nfs/dbraw/zinc/38/41/11/1433384111.db2.gz SWHXVYBHTBOJMD-HXUWFJFHSA-N 2 0 392.547 3.405 20 30 GGEDRP C#CCOc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000237007501 1433385575 /nfs/dbraw/zinc/38/55/75/1433385575.db2.gz ZVLJBBOMLJEZSS-UHFFFAOYSA-N 2 0 381.495 3.269 20 30 GGEDRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2)CC1 ZINC000237217336 1433392877 /nfs/dbraw/zinc/39/28/77/1433392877.db2.gz GWOMTRBMFDSYJG-UHFFFAOYSA-N 2 0 392.547 3.406 20 30 GGEDRP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000246000344 1433555855 /nfs/dbraw/zinc/55/58/55/1433555855.db2.gz YDECFKWQKNLMCT-PMACEKPBSA-N 2 0 393.535 3.318 20 30 GGEDRP CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000246052831 1433561917 /nfs/dbraw/zinc/56/19/17/1433561917.db2.gz AZCZYTYEIUBLBW-FCHUYYIVSA-N 2 0 397.567 3.037 20 30 GGEDRP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246125203 1433572037 /nfs/dbraw/zinc/57/20/37/1433572037.db2.gz DOOOFBMDTIFGTB-MAUKXSAKSA-N 2 0 375.542 3.101 20 30 GGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)NC1CC[NH+](C(C)C)CC1 ZINC000246321563 1433594682 /nfs/dbraw/zinc/59/46/82/1433594682.db2.gz AMWZBBXUGVWYHH-FXAWDEMLSA-N 3 0 391.629 3.169 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000261597457 1433896998 /nfs/dbraw/zinc/89/69/98/1433896998.db2.gz AEWFXJHHMPDISI-BDTNDASRSA-N 2 0 396.579 3.082 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261632290 1433897730 /nfs/dbraw/zinc/89/77/30/1433897730.db2.gz CNUXCFCVXTVMJG-BDTNDASRSA-N 2 0 396.579 3.164 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000261771599 1433903046 /nfs/dbraw/zinc/90/30/46/1433903046.db2.gz PHLOHZRONMMRPB-MIUGBVLSSA-N 2 0 396.579 3.162 20 30 GGEDRP CC[NH+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@]2(CCOC2)C1 ZINC000261934232 1433914305 /nfs/dbraw/zinc/91/43/05/1433914305.db2.gz CCKDADNFQHXXFR-RXVVDRJESA-N 2 0 390.597 3.038 20 30 GGEDRP CC[NH+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261934225 1433914441 /nfs/dbraw/zinc/91/44/41/1433914441.db2.gz CCKDADNFQHXXFR-GHTZIAJQSA-N 2 0 390.597 3.038 20 30 GGEDRP [NH2+]=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262270493 1433933158 /nfs/dbraw/zinc/93/31/58/1433933158.db2.gz KJYVRFONEBZRKY-LJQANCHMSA-N 2 0 380.492 3.412 20 30 GGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)NC[C@]1(C)CCCC[C@H]1O ZINC000262409739 1433938232 /nfs/dbraw/zinc/93/82/32/1433938232.db2.gz PCNVPRIJLWJJMA-KRQVXIAISA-N 2 0 392.613 3.237 20 30 GGEDRP C[NH+]=C(NCc1scnc1C)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262416329 1433938457 /nfs/dbraw/zinc/93/84/57/1433938457.db2.gz PYVXEKBHKVKHOT-YOEHRIQHSA-N 2 0 377.583 3.261 20 30 GGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262434552 1433938910 /nfs/dbraw/zinc/93/89/10/1433938910.db2.gz SWYMDZBHDNAHNG-JAQSECSASA-N 2 0 390.597 3.110 20 30 GGEDRP C[NH+]=C(NCCc1ccc(Br)s1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262439221 1433939105 /nfs/dbraw/zinc/93/91/05/1433939105.db2.gz HEFJDMQVGSHTNG-AWEZNQCLSA-N 2 0 399.402 3.189 20 30 GGEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262464586 1433940109 /nfs/dbraw/zinc/94/01/09/1433940109.db2.gz YCMCHJDCCNGWTA-HBMCJLEFSA-N 2 0 384.568 3.020 20 30 GGEDRP C[NH+]=C(NCc1cnc(C)s1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262476467 1433940717 /nfs/dbraw/zinc/94/07/17/1433940717.db2.gz XLIJDWPVCLDDKZ-YOEHRIQHSA-N 2 0 377.583 3.261 20 30 GGEDRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H]1CCOc2ccccc21 ZINC000262493074 1433941216 /nfs/dbraw/zinc/94/12/16/1433941216.db2.gz JQEXGOLYYCNAPX-LPHOPBHVSA-N 2 0 384.549 3.388 20 30 GGEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000262534224 1433942500 /nfs/dbraw/zinc/94/25/00/1433942500.db2.gz OXICQFJZGXTYAY-IBGZPJMESA-N 2 0 380.492 3.239 20 30 GGEDRP CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262795226 1433956526 /nfs/dbraw/zinc/95/65/26/1433956526.db2.gz PHUGDZASKJLTHK-UXHICEINSA-N 2 0 384.568 3.326 20 30 GGEDRP [NH2+]=C(NC[C@@H]1CSc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000263061223 1433981571 /nfs/dbraw/zinc/98/15/71/1433981571.db2.gz FNMHXYCERNDDNO-GOSISDBHSA-N 2 0 380.561 3.445 20 30 GGEDRP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](CC)CC)Cc2cccs2)CC1 ZINC000264364066 1434102754 /nfs/dbraw/zinc/10/27/54/1434102754.db2.gz PCCWEDKIFFLFHC-UHFFFAOYSA-N 2 0 378.586 3.252 20 30 GGEDRP C=C(C)COc1cc(C[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)ccc1OC ZINC000264380661 1434104932 /nfs/dbraw/zinc/10/49/32/1434104932.db2.gz OIFOVSXVSHKBGK-IBGZPJMESA-N 2 0 375.557 3.013 20 30 GGEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000268411046 1434520201 /nfs/dbraw/zinc/52/02/01/1434520201.db2.gz HXHIAMWHLYDPAY-UHFFFAOYSA-N 2 0 393.531 3.462 20 30 GGEDRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)CC1 ZINC000271217957 1434808767 /nfs/dbraw/zinc/80/87/67/1434808767.db2.gz NXUWGUHRISJRPW-UHFFFAOYSA-N 2 0 383.584 3.027 20 30 GGEDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)CC1 ZINC000271243925 1434810503 /nfs/dbraw/zinc/81/05/03/1434810503.db2.gz ZRGSHDGLBQSVRC-UHFFFAOYSA-N 2 0 383.584 3.027 20 30 GGEDRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)c(F)c1 ZINC000271938909 1434860600 /nfs/dbraw/zinc/86/06/00/1434860600.db2.gz KZNJNHOTDIINLR-IERDGZPVSA-N 2 0 394.494 3.245 20 30 GGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272414670 1434894699 /nfs/dbraw/zinc/89/46/99/1434894699.db2.gz LVSMOMQLAHYHPY-FPOVZHCZSA-N 2 0 384.568 3.237 20 30 GGEDRP CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000277021482 1435252802 /nfs/dbraw/zinc/25/28/02/1435252802.db2.gz AKAYPINXOAGZQD-LJQANCHMSA-N 2 0 381.524 3.493 20 30 GGEDRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000278839623 1435429398 /nfs/dbraw/zinc/42/93/98/1435429398.db2.gz USJKWHHBTXRUFJ-XZOQPEGZSA-N 2 0 390.531 3.496 20 30 GGEDRP C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000278918014 1435439666 /nfs/dbraw/zinc/43/96/66/1435439666.db2.gz REQDTJVASNANKD-MRXNPFEDSA-N 2 0 377.492 3.298 20 30 GGEDRP COc1ccc([C@H](C[NH+](C)C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000284243786 1436006725 /nfs/dbraw/zinc/00/67/25/1436006725.db2.gz FGDQDUWNSSKPTQ-DEOSSOPVSA-N 2 0 392.547 3.424 20 30 GGEDRP