smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2ncn(CC[NH+]3CCN(c4cccc(F)c4C#N)CC3)c2c(=O)n(C)c1=O ZINC000029858244 1075599407 /nfs/dbraw/zinc/59/94/07/1075599407.db2.gz AEMXOYANGGONSF-UHFFFAOYSA-N 1 1 411.441 0.267 20 30 HCEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(NC(=O)C4CC4)CC3)CC2)o1 ZINC000030287460 1077265179 /nfs/dbraw/zinc/26/51/79/1077265179.db2.gz PZNUNIQQFWOAFI-UHFFFAOYSA-N 1 1 400.483 0.494 20 30 HCEDMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000031126956 1077324890 /nfs/dbraw/zinc/32/48/90/1077324890.db2.gz XTPOJCLKKCEAOA-UHFFFAOYSA-N 1 1 402.474 0.739 20 30 HCEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000031160109 1077326361 /nfs/dbraw/zinc/32/63/61/1077326361.db2.gz QPZCFIVPKOFQFA-UHFFFAOYSA-N 1 1 413.526 0.775 20 30 HCEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](CC(=O)NCCC)CC2)c1 ZINC000031932629 1077555389 /nfs/dbraw/zinc/55/53/89/1077555389.db2.gz MRJUWLIDXDQRJI-UHFFFAOYSA-N 1 1 422.551 0.871 20 30 HCEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 ZINC000032268423 1077822597 /nfs/dbraw/zinc/82/25/97/1077822597.db2.gz DVKMUSHDEPSACZ-KRWDZBQOSA-N 1 1 408.524 0.965 20 30 HCEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 ZINC000032268424 1077822581 /nfs/dbraw/zinc/82/25/81/1077822581.db2.gz DVKMUSHDEPSACZ-QGZVFWFLSA-N 1 1 408.524 0.965 20 30 HCEDMO CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[NH+]1CCOCC1 ZINC000032934874 1078095521 /nfs/dbraw/zinc/09/55/21/1078095521.db2.gz OYZCTGMAPIFDAS-GOSISDBHSA-N 1 1 408.524 0.965 20 30 HCEDMO CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[NH+]1CCOCC1 ZINC000032934876 1078095604 /nfs/dbraw/zinc/09/56/04/1078095604.db2.gz OYZCTGMAPIFDAS-SFHVURJKSA-N 1 1 408.524 0.965 20 30 HCEDMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCC(C#N)CC3)CC2)c1 ZINC000060893361 1073465902 /nfs/dbraw/zinc/46/59/02/1073465902.db2.gz VBAFWDLBWZFNEX-UHFFFAOYSA-N 1 1 418.519 0.958 20 30 HCEDMO N#CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000060893488 1073466387 /nfs/dbraw/zinc/46/63/87/1073466387.db2.gz HSUSHPZIQXWNIV-UHFFFAOYSA-N 1 1 421.479 0.663 20 30 HCEDMO N#CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000060893490 1073465791 /nfs/dbraw/zinc/46/57/91/1073465791.db2.gz ZEGKERUMYWWHCE-UHFFFAOYSA-N 1 1 421.479 0.663 20 30 HCEDMO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000060893522 1073465859 /nfs/dbraw/zinc/46/58/59/1073465859.db2.gz IMAGTLDPDFGIRG-UHFFFAOYSA-N 1 1 401.492 0.627 20 30 HCEDMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCC(C#N)CC3)CC2)cc1 ZINC000060893534 1073466088 /nfs/dbraw/zinc/46/60/88/1073466088.db2.gz FQSSOIKMZMDXDJ-UHFFFAOYSA-N 1 1 418.519 0.958 20 30 HCEDMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000062122449 1073977684 /nfs/dbraw/zinc/97/76/84/1073977684.db2.gz XNJBYMCHXSKDCZ-UHFFFAOYSA-N 1 1 423.539 0.942 20 30 HCEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000063825884 1074460790 /nfs/dbraw/zinc/46/07/90/1074460790.db2.gz YPTDSVGGIBOPEL-UHFFFAOYSA-N 1 1 407.478 0.924 20 30 HCEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCN3CCCS3(=O)=O)CC2)cc1 ZINC000064254219 1078462977 /nfs/dbraw/zinc/46/29/77/1078462977.db2.gz FRVFFOCWPVPBNR-UHFFFAOYSA-N 1 1 405.524 0.811 20 30 HCEDMO CC[N@@H+](CCC(=O)OC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000064570353 1078550557 /nfs/dbraw/zinc/55/05/57/1078550557.db2.gz CIFMSIOZHYEYAB-UHFFFAOYSA-N 1 1 422.507 0.276 20 30 HCEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000064763722 1078635807 /nfs/dbraw/zinc/63/58/07/1078635807.db2.gz VAILVLQPSMXSKV-UHFFFAOYSA-N 1 1 423.477 0.624 20 30 HCEDMO CN(CC(=O)NCCCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000106157407 1080121035 /nfs/dbraw/zinc/12/10/35/1080121035.db2.gz OOIMAIJTDOJTHP-UHFFFAOYSA-N 1 1 407.540 0.323 20 30 HCEDMO C[NH+]1CCN(CCCCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000106157687 1080120914 /nfs/dbraw/zinc/12/09/14/1080120914.db2.gz ZJJDWACCLZVAPD-UHFFFAOYSA-N 1 1 407.540 0.636 20 30 HCEDMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCCO1 ZINC000108082677 1080280476 /nfs/dbraw/zinc/28/04/76/1080280476.db2.gz WFBPSJKUFISVQS-KRWDZBQOSA-N 1 1 406.508 0.502 20 30 HCEDMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCCO1 ZINC000108082677 1080280467 /nfs/dbraw/zinc/28/04/67/1080280467.db2.gz WFBPSJKUFISVQS-KRWDZBQOSA-N 1 1 406.508 0.502 20 30 HCEDMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCCO1 ZINC000108082682 1080280197 /nfs/dbraw/zinc/28/01/97/1080280197.db2.gz WFBPSJKUFISVQS-QGZVFWFLSA-N 1 1 406.508 0.502 20 30 HCEDMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCCO1 ZINC000108082682 1080280188 /nfs/dbraw/zinc/28/01/88/1080280188.db2.gz WFBPSJKUFISVQS-QGZVFWFLSA-N 1 1 406.508 0.502 20 30 HCEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000110435792 1080417860 /nfs/dbraw/zinc/41/78/60/1080417860.db2.gz LXAWLBJDBAMDOB-GOSISDBHSA-N 1 1 420.535 0.705 20 30 HCEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000110435792 1080417851 /nfs/dbraw/zinc/41/78/51/1080417851.db2.gz LXAWLBJDBAMDOB-GOSISDBHSA-N 1 1 420.535 0.705 20 30 HCEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000110435795 1080417983 /nfs/dbraw/zinc/41/79/83/1080417983.db2.gz LXAWLBJDBAMDOB-SFHVURJKSA-N 1 1 420.535 0.705 20 30 HCEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000110435795 1080417956 /nfs/dbraw/zinc/41/79/56/1080417956.db2.gz LXAWLBJDBAMDOB-SFHVURJKSA-N 1 1 420.535 0.705 20 30 HCEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000110844769 1080448752 /nfs/dbraw/zinc/44/87/52/1080448752.db2.gz KFUMHLYFLFPPCL-INIZCTEOSA-N 1 1 408.524 0.468 20 30 HCEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000110844772 1080449175 /nfs/dbraw/zinc/44/91/75/1080449175.db2.gz KFUMHLYFLFPPCL-MRXNPFEDSA-N 1 1 408.524 0.468 20 30 HCEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000139266987 1078174196 /nfs/dbraw/zinc/17/41/96/1078174196.db2.gz OZPVYVAITNRZQU-GOSISDBHSA-N 1 1 405.520 0.925 20 30 HCEDMO Cn1c(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C#N)c(=O)n(C)c1=O ZINC000301193684 1080271389 /nfs/dbraw/zinc/27/13/89/1080271389.db2.gz IPKBJGPEZRCWAM-INIZCTEOSA-N 1 1 410.478 0.265 20 30 HCEDMO Cn1c(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C#N)c(=O)n(C)c1=O ZINC000301193685 1080271314 /nfs/dbraw/zinc/27/13/14/1080271314.db2.gz IPKBJGPEZRCWAM-MRXNPFEDSA-N 1 1 410.478 0.265 20 30 HCEDMO CC[NH+]1CCN(C(=O)Cc2ccc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)cc2)CC1 ZINC000301527578 1080282562 /nfs/dbraw/zinc/28/25/62/1080282562.db2.gz IMKKHNZDQAGHMA-UHFFFAOYSA-N 1 1 410.478 0.406 20 30 HCEDMO Cn1c(NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000301723382 1080289015 /nfs/dbraw/zinc/28/90/15/1080289015.db2.gz SCYDBLDHXJGWHN-UHFFFAOYSA-N 1 1 402.886 0.843 20 30 HCEDMO CC(C)(O)CN1CCN(c2nc(N3CC[NH+](CC(C)(C)O)CC3)ccc2C#N)CC1 ZINC000302881067 1080332134 /nfs/dbraw/zinc/33/21/34/1080332134.db2.gz ITYBIWLSZAOVAM-UHFFFAOYSA-N 1 1 416.570 0.739 20 30 HCEDMO Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](C[NH+]4CCOCC4)C3)CC2)o1 ZINC000303481575 1080348666 /nfs/dbraw/zinc/34/86/66/1080348666.db2.gz TUOPCQWIEJUUCU-GOSISDBHSA-N 1 1 416.526 0.548 20 30 HCEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](CN4CCOCC4)C3)CC2)o1 ZINC000303481575 1080348660 /nfs/dbraw/zinc/34/86/60/1080348660.db2.gz TUOPCQWIEJUUCU-GOSISDBHSA-N 1 1 416.526 0.548 20 30 HCEDMO Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](C[NH+]4CCOCC4)C3)CC2)o1 ZINC000303481577 1080348488 /nfs/dbraw/zinc/34/84/88/1080348488.db2.gz TUOPCQWIEJUUCU-SFHVURJKSA-N 1 1 416.526 0.548 20 30 HCEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)CC2)o1 ZINC000303481577 1080348484 /nfs/dbraw/zinc/34/84/84/1080348484.db2.gz TUOPCQWIEJUUCU-SFHVURJKSA-N 1 1 416.526 0.548 20 30 HCEDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000303496540 1080349327 /nfs/dbraw/zinc/34/93/27/1080349327.db2.gz BCPURUOLPWSNBK-KRWDZBQOSA-N 1 1 402.499 0.836 20 30 HCEDMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000303496540 1080349322 /nfs/dbraw/zinc/34/93/22/1080349322.db2.gz BCPURUOLPWSNBK-KRWDZBQOSA-N 1 1 402.499 0.836 20 30 HCEDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000303496541 1080349126 /nfs/dbraw/zinc/34/91/26/1080349126.db2.gz BCPURUOLPWSNBK-QGZVFWFLSA-N 1 1 402.499 0.836 20 30 HCEDMO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000303496541 1080349117 /nfs/dbraw/zinc/34/91/17/1080349117.db2.gz BCPURUOLPWSNBK-QGZVFWFLSA-N 1 1 402.499 0.836 20 30 HCEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)nc1 ZINC000428772996 1074702378 /nfs/dbraw/zinc/70/23/78/1074702378.db2.gz OETUBQDVOVSIGE-GOSISDBHSA-N 1 1 407.478 0.935 20 30 HCEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)nc1 ZINC000428772997 1074702575 /nfs/dbraw/zinc/70/25/75/1074702575.db2.gz OETUBQDVOVSIGE-SFHVURJKSA-N 1 1 407.478 0.935 20 30 HCEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)nc1 ZINC000428773911 1074731191 /nfs/dbraw/zinc/73/11/91/1074731191.db2.gz SGPYRGQLRKYDOB-KRWDZBQOSA-N 1 1 409.446 0.984 20 30 HCEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)nc1 ZINC000428773911 1074731184 /nfs/dbraw/zinc/73/11/84/1074731184.db2.gz SGPYRGQLRKYDOB-KRWDZBQOSA-N 1 1 409.446 0.984 20 30 HCEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)nc1 ZINC000428773912 1074731263 /nfs/dbraw/zinc/73/12/63/1074731263.db2.gz SGPYRGQLRKYDOB-QGZVFWFLSA-N 1 1 409.446 0.984 20 30 HCEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)nc1 ZINC000428773912 1074731255 /nfs/dbraw/zinc/73/12/55/1074731255.db2.gz SGPYRGQLRKYDOB-QGZVFWFLSA-N 1 1 409.446 0.984 20 30 HCEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)CC2)o1 ZINC000428780749 1074800715 /nfs/dbraw/zinc/80/07/15/1074800715.db2.gz CNUFYOIMJZCSIQ-KRWDZBQOSA-N 1 1 421.461 0.923 20 30 HCEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)CC2)o1 ZINC000428780749 1074800710 /nfs/dbraw/zinc/80/07/10/1074800710.db2.gz CNUFYOIMJZCSIQ-KRWDZBQOSA-N 1 1 421.461 0.923 20 30 HCEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)CC2)o1 ZINC000428780751 1074800746 /nfs/dbraw/zinc/80/07/46/1074800746.db2.gz CNUFYOIMJZCSIQ-QGZVFWFLSA-N 1 1 421.461 0.923 20 30 HCEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)CC2)o1 ZINC000428780751 1074800740 /nfs/dbraw/zinc/80/07/40/1074800740.db2.gz CNUFYOIMJZCSIQ-QGZVFWFLSA-N 1 1 421.461 0.923 20 30 HCEDMO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)S(C)(=O)=O ZINC000428781588 1074816605 /nfs/dbraw/zinc/81/66/05/1074816605.db2.gz ORJFHAZQNNSSMX-KRWDZBQOSA-N 1 1 423.539 0.583 20 30 HCEDMO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)S(C)(=O)=O ZINC000428781588 1074816603 /nfs/dbraw/zinc/81/66/03/1074816603.db2.gz ORJFHAZQNNSSMX-KRWDZBQOSA-N 1 1 423.539 0.583 20 30 HCEDMO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)S(C)(=O)=O ZINC000428781590 1074816662 /nfs/dbraw/zinc/81/66/62/1074816662.db2.gz ORJFHAZQNNSSMX-QGZVFWFLSA-N 1 1 423.539 0.583 20 30 HCEDMO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)S(C)(=O)=O ZINC000428781590 1074816661 /nfs/dbraw/zinc/81/66/61/1074816661.db2.gz ORJFHAZQNNSSMX-QGZVFWFLSA-N 1 1 423.539 0.583 20 30 HCEDMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428791176 1075395011 /nfs/dbraw/zinc/39/50/11/1075395011.db2.gz CMJYBGUXNRTGTI-AEFFLSMTSA-N 1 1 407.478 0.934 20 30 HCEDMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428791176 1075395007 /nfs/dbraw/zinc/39/50/07/1075395007.db2.gz CMJYBGUXNRTGTI-AEFFLSMTSA-N 1 1 407.478 0.934 20 30 HCEDMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428791177 1075395107 /nfs/dbraw/zinc/39/51/07/1075395107.db2.gz CMJYBGUXNRTGTI-FUHWJXTLSA-N 1 1 407.478 0.934 20 30 HCEDMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428791177 1075395106 /nfs/dbraw/zinc/39/51/06/1075395106.db2.gz CMJYBGUXNRTGTI-FUHWJXTLSA-N 1 1 407.478 0.934 20 30 HCEDMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428791178 1075394941 /nfs/dbraw/zinc/39/49/41/1075394941.db2.gz CMJYBGUXNRTGTI-SJLPKXTDSA-N 1 1 407.478 0.934 20 30 HCEDMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428791178 1075394936 /nfs/dbraw/zinc/39/49/36/1075394936.db2.gz CMJYBGUXNRTGTI-SJLPKXTDSA-N 1 1 407.478 0.934 20 30 HCEDMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428791179 1075395052 /nfs/dbraw/zinc/39/50/52/1075395052.db2.gz CMJYBGUXNRTGTI-WMZOPIPTSA-N 1 1 407.478 0.934 20 30 HCEDMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428791179 1075395042 /nfs/dbraw/zinc/39/50/42/1075395042.db2.gz CMJYBGUXNRTGTI-WMZOPIPTSA-N 1 1 407.478 0.934 20 30 HCEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)nc1 ZINC000428806289 1075652065 /nfs/dbraw/zinc/65/20/65/1075652065.db2.gz QAPRKXPPSGZAIP-GOSISDBHSA-N 1 1 409.446 0.587 20 30 HCEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)nc1 ZINC000428806289 1075652057 /nfs/dbraw/zinc/65/20/57/1075652057.db2.gz QAPRKXPPSGZAIP-GOSISDBHSA-N 1 1 409.446 0.587 20 30 HCEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)nc1 ZINC000428806292 1075652214 /nfs/dbraw/zinc/65/22/14/1075652214.db2.gz QAPRKXPPSGZAIP-SFHVURJKSA-N 1 1 409.446 0.587 20 30 HCEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)nc1 ZINC000428806292 1075652212 /nfs/dbraw/zinc/65/22/12/1075652212.db2.gz QAPRKXPPSGZAIP-SFHVURJKSA-N 1 1 409.446 0.587 20 30 HCEDMO 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OSABZMQSIRUWTM-UHFFFAOYSA-N 1 1 421.523 0.161 20 30 HCEDMO Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1S(=O)(=O)NCC#N ZINC000524230468 1077849358 /nfs/dbraw/zinc/84/93/58/1077849358.db2.gz WIBPSRDERACMHT-KRWDZBQOSA-N 1 1 408.524 0.884 20 30 HCEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(NC(=O)C(C)C)CC3)CC2)o1 ZINC000533243349 1081179233 /nfs/dbraw/zinc/17/92/33/1081179233.db2.gz YPFWRTMECMVUHB-UHFFFAOYSA-N 1 1 402.499 0.740 20 30 HCEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000534096152 1074551911 /nfs/dbraw/zinc/55/19/11/1074551911.db2.gz DQHDXFHWXNZSTO-UHFFFAOYSA-N 1 1 401.446 0.776 20 30 HCEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000534096987 1074552504 /nfs/dbraw/zinc/55/25/04/1074552504.db2.gz SBBREKJKDICSSW-UHFFFAOYSA-N 1 1 400.439 0.652 20 30 HCEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000534099159 1074555047 /nfs/dbraw/zinc/55/50/47/1074555047.db2.gz HZXGIJBPYPBDRW-UHFFFAOYSA-N 1 1 409.494 0.937 20 30 HCEDMO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000534228728 1074586184 /nfs/dbraw/zinc/58/61/84/1074586184.db2.gz DNEDCWVJYVPOPW-CYBMUJFWSA-N 1 1 413.438 0.197 20 30 HCEDMO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000534228728 1074586178 /nfs/dbraw/zinc/58/61/78/1074586178.db2.gz DNEDCWVJYVPOPW-CYBMUJFWSA-N 1 1 413.438 0.197 20 30 HCEDMO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000534228729 1074586284 /nfs/dbraw/zinc/58/62/84/1074586284.db2.gz DNEDCWVJYVPOPW-ZDUSSCGKSA-N 1 1 413.438 0.197 20 30 HCEDMO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000534228729 1074586275 /nfs/dbraw/zinc/58/62/75/1074586275.db2.gz DNEDCWVJYVPOPW-ZDUSSCGKSA-N 1 1 413.438 0.197 20 30 HCEDMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCC[C@@H]1O ZINC000534382393 1074610189 /nfs/dbraw/zinc/61/01/89/1074610189.db2.gz VNJMBQXPOXCCAQ-MSOLQXFVSA-N 1 1 420.535 0.484 20 30 HCEDMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCC[C@H]1O ZINC000534382394 1074610225 /nfs/dbraw/zinc/61/02/25/1074610225.db2.gz VNJMBQXPOXCCAQ-QZTJIDSGSA-N 1 1 420.535 0.484 20 30 HCEDMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCC[C@@H]1O ZINC000534382395 1074610301 /nfs/dbraw/zinc/61/03/01/1074610301.db2.gz VNJMBQXPOXCCAQ-ROUUACIJSA-N 1 1 420.535 0.484 20 30 HCEDMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCC[C@H]1O ZINC000534382396 1074610285 /nfs/dbraw/zinc/61/02/85/1074610285.db2.gz VNJMBQXPOXCCAQ-ZWKOTPCHSA-N 1 1 420.535 0.484 20 30 HCEDMO CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(F)cc(F)c3)c(=O)n2C)CC1 ZINC000534402033 1074612869 /nfs/dbraw/zinc/61/28/69/1074612869.db2.gz GVYPFSWTANOKPF-UHFFFAOYSA-N 1 1 418.469 0.392 20 30 HCEDMO C=CCCOCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000534547817 1074650015 /nfs/dbraw/zinc/65/00/15/1074650015.db2.gz GITXMYTWNCFSRW-UHFFFAOYSA-N 1 1 402.495 0.651 20 30 HCEDMO Cc1ccc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1S(=O)(=O)NCC#N ZINC000534700493 1074678157 /nfs/dbraw/zinc/67/81/57/1074678157.db2.gz NGHJVLFNRHVINH-UHFFFAOYSA-N 1 1 408.524 0.716 20 30 HCEDMO CN(CC(=O)N1CCC([N@@H+](C)CCCO)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000534721817 1074697788 /nfs/dbraw/zinc/69/77/88/1074697788.db2.gz OPSUUIJWRSRILD-UHFFFAOYSA-N 1 1 408.524 0.484 20 30 HCEDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000534727390 1074693577 /nfs/dbraw/zinc/69/35/77/1074693577.db2.gz JJNVVNRMISCPIK-UHFFFAOYSA-N 1 1 408.524 0.797 20 30 HCEDMO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000534727475 1074693555 /nfs/dbraw/zinc/69/35/55/1074693555.db2.gz NANDJORDZMQLHZ-HNNXBMFYSA-N 1 1 408.524 0.530 20 30 HCEDMO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000534727484 1074693716 /nfs/dbraw/zinc/69/37/16/1074693716.db2.gz NANDJORDZMQLHZ-OAHLLOKOSA-N 1 1 408.524 0.530 20 30 HCEDMO C[C@@H](NC(=O)CNC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)cc1 ZINC000534833904 1074711604 /nfs/dbraw/zinc/71/16/04/1074711604.db2.gz IYFCZKUOFOIIII-CYBMUJFWSA-N 1 1 415.473 0.861 20 30 HCEDMO C[C@H](NC(=O)CNC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)cc1 ZINC000534833909 1074711718 /nfs/dbraw/zinc/71/17/18/1074711718.db2.gz IYFCZKUOFOIIII-ZDUSSCGKSA-N 1 1 415.473 0.861 20 30 HCEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000534834398 1074712273 /nfs/dbraw/zinc/71/22/73/1074712273.db2.gz TVIVSCRPQKMAKP-UHFFFAOYSA-N 1 1 405.409 0.761 20 30 HCEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000534834744 1074712100 /nfs/dbraw/zinc/71/21/00/1074712100.db2.gz ZJYPNMRJGDFWDE-UHFFFAOYSA-N 1 1 415.523 0.774 20 30 HCEDMO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCCSCC2)CC1 ZINC000534865782 1074728416 /nfs/dbraw/zinc/72/84/16/1074728416.db2.gz TTZMVIGWFSCFAY-UHFFFAOYSA-N 1 1 408.549 0.830 20 30 HCEDMO C[NH+](C)CCn1cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)ccc1=O ZINC000535229877 1074766390 /nfs/dbraw/zinc/76/63/90/1074766390.db2.gz PGDYCVZBCPWSOD-UHFFFAOYSA-N 1 1 402.476 0.835 20 30 HCEDMO C=CCCOCCNC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000535285831 1074778280 /nfs/dbraw/zinc/77/82/80/1074778280.db2.gz GIHATTLPRUSVFR-UHFFFAOYSA-N 1 1 418.494 0.730 20 30 HCEDMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000535318434 1074788103 /nfs/dbraw/zinc/78/81/03/1074788103.db2.gz TXKNXZLDUOZBHZ-INIZCTEOSA-N 1 1 408.549 0.828 20 30 HCEDMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCSC1 ZINC000535318448 1074787906 /nfs/dbraw/zinc/78/79/06/1074787906.db2.gz TXKNXZLDUOZBHZ-MRXNPFEDSA-N 1 1 408.549 0.828 20 30 HCEDMO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000535545182 1074817826 /nfs/dbraw/zinc/81/78/26/1074817826.db2.gz DGTIJVRXCDGGSJ-UHFFFAOYSA-N 1 1 408.380 0.847 20 30 HCEDMO Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n(CCC#N)n1 ZINC000535570439 1075094195 /nfs/dbraw/zinc/09/41/95/1075094195.db2.gz VSQAWBGGMWKUSM-MSOLQXFVSA-N 1 1 410.478 0.795 20 30 HCEDMO Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n(CCC#N)n1 ZINC000535570447 1075094278 /nfs/dbraw/zinc/09/42/78/1075094278.db2.gz VSQAWBGGMWKUSM-QZTJIDSGSA-N 1 1 410.478 0.795 20 30 HCEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n(CCC#N)n1 ZINC000535570450 1075094221 /nfs/dbraw/zinc/09/42/21/1075094221.db2.gz VSQAWBGGMWKUSM-ROUUACIJSA-N 1 1 410.478 0.795 20 30 HCEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n(CCC#N)n1 ZINC000535570456 1075094117 /nfs/dbraw/zinc/09/41/17/1075094117.db2.gz VSQAWBGGMWKUSM-ZWKOTPCHSA-N 1 1 410.478 0.795 20 30 HCEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(N3CCNC3=O)CC2)CC1 ZINC000539413672 1075313869 /nfs/dbraw/zinc/31/38/69/1075313869.db2.gz QPCBSOYMYOQGRX-KRWDZBQOSA-N 1 1 416.551 0.947 20 30 HCEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(N3CCNC3=O)CC2)CC1 ZINC000539413675 1075313881 /nfs/dbraw/zinc/31/38/81/1075313881.db2.gz QPCBSOYMYOQGRX-QGZVFWFLSA-N 1 1 416.551 0.947 20 30 HCEDMO C[N@@H+](CCN1CCOCC1)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000539450577 1075327536 /nfs/dbraw/zinc/32/75/36/1075327536.db2.gz PRBAPATURMVIAY-FQEVSTJZSA-N 1 1 403.502 0.799 20 30 HCEDMO C[N@H+](CCN1CCOCC1)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000539450577 1075327531 /nfs/dbraw/zinc/32/75/31/1075327531.db2.gz PRBAPATURMVIAY-FQEVSTJZSA-N 1 1 403.502 0.799 20 30 HCEDMO C[N@@H+](CCN1CCOCC1)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000539450578 1075327426 /nfs/dbraw/zinc/32/74/26/1075327426.db2.gz PRBAPATURMVIAY-HXUWFJFHSA-N 1 1 403.502 0.799 20 30 HCEDMO C[N@H+](CCN1CCOCC1)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000539450578 1075327419 /nfs/dbraw/zinc/32/74/19/1075327419.db2.gz PRBAPATURMVIAY-HXUWFJFHSA-N 1 1 403.502 0.799 20 30 HCEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC000539451090 1075327081 /nfs/dbraw/zinc/32/70/81/1075327081.db2.gz RKCBGNICWUEQND-GOSISDBHSA-N 1 1 402.474 0.667 20 30 HCEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC000539451093 1075327103 /nfs/dbraw/zinc/32/71/03/1075327103.db2.gz RKCBGNICWUEQND-SFHVURJKSA-N 1 1 402.474 0.667 20 30 HCEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000539452026 1075328159 /nfs/dbraw/zinc/32/81/59/1075328159.db2.gz KQMISHNVVQKOSN-GOSISDBHSA-N 1 1 402.474 0.621 20 30 HCEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000539452026 1075328156 /nfs/dbraw/zinc/32/81/56/1075328156.db2.gz KQMISHNVVQKOSN-GOSISDBHSA-N 1 1 402.474 0.621 20 30 HCEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000539452027 1075328236 /nfs/dbraw/zinc/32/82/36/1075328236.db2.gz KQMISHNVVQKOSN-SFHVURJKSA-N 1 1 402.474 0.621 20 30 HCEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000539452027 1075328232 /nfs/dbraw/zinc/32/82/32/1075328232.db2.gz KQMISHNVVQKOSN-SFHVURJKSA-N 1 1 402.474 0.621 20 30 HCEDMO C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000539647632 1075416369 /nfs/dbraw/zinc/41/63/69/1075416369.db2.gz DVGRTOKHLCDWTC-UHFFFAOYSA-N 1 1 413.478 0.330 20 30 HCEDMO C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539690874 1075428536 /nfs/dbraw/zinc/42/85/36/1075428536.db2.gz XFWRAXOOXYTLJG-GOSISDBHSA-N 1 1 424.505 0.995 20 30 HCEDMO C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539690879 1075428515 /nfs/dbraw/zinc/42/85/15/1075428515.db2.gz XFWRAXOOXYTLJG-SFHVURJKSA-N 1 1 424.505 0.995 20 30 HCEDMO C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000539691661 1075428580 /nfs/dbraw/zinc/42/85/80/1075428580.db2.gz QHAUMUSMEZWRGV-UHFFFAOYSA-N 1 1 415.494 0.776 20 30 HCEDMO C=CCNC(=O)CNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000539721833 1075440861 /nfs/dbraw/zinc/44/08/61/1075440861.db2.gz ZHQLDTZRFLTLQK-UHFFFAOYSA-N 1 1 409.512 0.437 20 30 HCEDMO C=CCNC(=O)CNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000539721833 1075440859 /nfs/dbraw/zinc/44/08/59/1075440859.db2.gz ZHQLDTZRFLTLQK-UHFFFAOYSA-N 1 1 409.512 0.437 20 30 HCEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H]1C ZINC000539772490 1075458208 /nfs/dbraw/zinc/45/82/08/1075458208.db2.gz FNTGGTJNYGZCFN-HNNXBMFYSA-N 1 1 422.507 0.588 20 30 HCEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H]1C ZINC000539772490 1075458198 /nfs/dbraw/zinc/45/81/98/1075458198.db2.gz FNTGGTJNYGZCFN-HNNXBMFYSA-N 1 1 422.507 0.588 20 30 HCEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1C ZINC000539772491 1075458044 /nfs/dbraw/zinc/45/80/44/1075458044.db2.gz FNTGGTJNYGZCFN-OAHLLOKOSA-N 1 1 422.507 0.588 20 30 HCEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1C ZINC000539772491 1075458039 /nfs/dbraw/zinc/45/80/39/1075458039.db2.gz FNTGGTJNYGZCFN-OAHLLOKOSA-N 1 1 422.507 0.588 20 30 HCEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000540052846 1075550541 /nfs/dbraw/zinc/55/05/41/1075550541.db2.gz LEONWBAWZQEGLX-DLBZAZTESA-N 1 1 419.551 0.416 20 30 HCEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000540052847 1075550140 /nfs/dbraw/zinc/55/01/40/1075550140.db2.gz LEONWBAWZQEGLX-IAGOWNOFSA-N 1 1 419.551 0.416 20 30 HCEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000540052848 1075550185 /nfs/dbraw/zinc/55/01/85/1075550185.db2.gz LEONWBAWZQEGLX-IRXDYDNUSA-N 1 1 419.551 0.416 20 30 HCEDMO C[C@@H]1[C@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[N@@H+]1C ZINC000540052849 1075549993 /nfs/dbraw/zinc/54/99/93/1075549993.db2.gz LEONWBAWZQEGLX-SJORKVTESA-N 1 1 419.551 0.416 20 30 HCEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000540298702 1075610339 /nfs/dbraw/zinc/61/03/39/1075610339.db2.gz WZWXMQCGYJKNJV-FQEVSTJZSA-N 1 1 418.586 0.309 20 30 HCEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000540298702 1075610337 /nfs/dbraw/zinc/61/03/37/1075610337.db2.gz WZWXMQCGYJKNJV-FQEVSTJZSA-N 1 1 418.586 0.309 20 30 HCEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000540298703 1075610278 /nfs/dbraw/zinc/61/02/78/1075610278.db2.gz WZWXMQCGYJKNJV-HXUWFJFHSA-N 1 1 418.586 0.309 20 30 HCEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000540298703 1075610274 /nfs/dbraw/zinc/61/02/74/1075610274.db2.gz WZWXMQCGYJKNJV-HXUWFJFHSA-N 1 1 418.586 0.309 20 30 HCEDMO C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000540368060 1075646093 /nfs/dbraw/zinc/64/60/93/1075646093.db2.gz KYHMZUJBHNZNBH-GOSISDBHSA-N 1 1 416.522 0.633 20 30 HCEDMO C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000540368062 1075646104 /nfs/dbraw/zinc/64/61/04/1075646104.db2.gz KYHMZUJBHNZNBH-SFHVURJKSA-N 1 1 416.522 0.633 20 30 HCEDMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000540401896 1075658641 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SGGSRPYMJWMYGL-HXUWFJFHSA-N 1 1 414.506 0.904 20 30 HCEDMO C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C[NH+]1CCOCC1 ZINC000552539051 1079578868 /nfs/dbraw/zinc/57/88/68/1079578868.db2.gz WFVFLRUKJZROCY-GOSISDBHSA-N 1 1 413.522 0.287 20 30 HCEDMO C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C[NH+]1CCOCC1 ZINC000552881476 1079857011 /nfs/dbraw/zinc/85/70/11/1079857011.db2.gz ZALBHNNZONROGH-MRXNPFEDSA-N 1 1 417.485 0.430 20 30 HCEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000553355472 1080060366 /nfs/dbraw/zinc/06/03/66/1080060366.db2.gz DMWOLBVFOUSSNF-RTBURBONSA-N 1 1 411.506 0.766 20 30 HCEDMO N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)C2=O)cc1 ZINC000553357339 1080060797 /nfs/dbraw/zinc/06/07/97/1080060797.db2.gz LIUDKJJSSSGATC-QUCCMNQESA-N 1 1 423.517 0.908 20 30 HCEDMO N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)C2=O)cc1 ZINC000553357340 1080060632 /nfs/dbraw/zinc/06/06/32/1080060632.db2.gz LIUDKJJSSSGATC-UYAOXDASSA-N 1 1 423.517 0.908 20 30 HCEDMO Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CC2)c1C#N ZINC000553701351 1080192876 /nfs/dbraw/zinc/19/28/76/1080192876.db2.gz SHVFZOKKHFNOMW-INIZCTEOSA-N 1 1 413.526 0.382 20 30 HCEDMO Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)CC2)c1C#N ZINC000553701352 1080198625 /nfs/dbraw/zinc/19/86/25/1080198625.db2.gz SHVFZOKKHFNOMW-MRXNPFEDSA-N 1 1 413.526 0.382 20 30 HCEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000553712265 1080203269 /nfs/dbraw/zinc/20/32/69/1080203269.db2.gz WKGXETCZISHURD-AEFFLSMTSA-N 1 1 413.478 0.007 20 30 HCEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000553712267 1080205236 /nfs/dbraw/zinc/20/52/36/1080205236.db2.gz WKGXETCZISHURD-FUHWJXTLSA-N 1 1 413.478 0.007 20 30 HCEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000553712268 1080202283 /nfs/dbraw/zinc/20/22/83/1080202283.db2.gz WKGXETCZISHURD-SJLPKXTDSA-N 1 1 413.478 0.007 20 30 HCEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000553712270 1080203422 /nfs/dbraw/zinc/20/34/22/1080203422.db2.gz WKGXETCZISHURD-WMZOPIPTSA-N 1 1 413.478 0.007 20 30 HCEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000553734715 1080217092 /nfs/dbraw/zinc/21/70/92/1080217092.db2.gz MURXKXVAZAXFFN-QGZVFWFLSA-N 1 1 400.479 0.765 20 30 HCEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1C ZINC000553835348 1080242713 /nfs/dbraw/zinc/24/27/13/1080242713.db2.gz QFMRGCKHBHZDJS-UHFFFAOYSA-N 1 1 409.494 0.318 20 30 HCEDMO N#Cc1ncn(CCNC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000553958788 1080281713 /nfs/dbraw/zinc/28/17/13/1080281713.db2.gz QVQGOVBTZZLREK-LJQANCHMSA-N 1 1 408.510 0.751 20 30 HCEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000554105233 1080299129 /nfs/dbraw/zinc/29/91/29/1080299129.db2.gz PZMMOLKSHIXEKX-UHFFFAOYSA-N 1 1 413.522 0.964 20 30 HCEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1C ZINC000554183784 1080308609 /nfs/dbraw/zinc/30/86/09/1080308609.db2.gz ORSNXZGXNKTHOD-KRWDZBQOSA-N 1 1 423.477 0.286 20 30 HCEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000554231992 1080309962 /nfs/dbraw/zinc/30/99/62/1080309962.db2.gz AHENRBXQNKUULU-KRWDZBQOSA-N 1 1 415.542 0.630 20 30 HCEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000554231993 1080311076 /nfs/dbraw/zinc/31/10/76/1080311076.db2.gz AHENRBXQNKUULU-QGZVFWFLSA-N 1 1 415.542 0.630 20 30 HCEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[N@H+]1C1CC1 ZINC000554695096 1080334075 /nfs/dbraw/zinc/33/40/75/1080334075.db2.gz UFNZYAZDALQAIV-LSBZLQRGSA-N 1 1 409.490 0.517 20 30 HCEDMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000555020981 1080917680 /nfs/dbraw/zinc/91/76/80/1080917680.db2.gz GJDYDSILPSYHLB-UHFFFAOYSA-N 1 1 411.466 0.383 20 30 HCEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000555063123 1081263662 /nfs/dbraw/zinc/26/36/62/1081263662.db2.gz LHWWBTOQFXLIGA-UHFFFAOYSA-N 1 1 415.475 0.975 20 30 HCEDMO Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@H](C)C3)CC2)c1C#N ZINC000556083314 1078423502 /nfs/dbraw/zinc/42/35/02/1078423502.db2.gz AVUIQXAWCXLYDJ-HNNXBMFYSA-N 1 1 401.515 0.097 20 30 HCEDMO Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC2)c1C#N ZINC000556083315 1078423420 /nfs/dbraw/zinc/42/34/20/1078423420.db2.gz AVUIQXAWCXLYDJ-OAHLLOKOSA-N 1 1 401.515 0.097 20 30 HCEDMO N#Cc1cccc(N2CCN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)CC2)n1 ZINC000556086594 1078415836 /nfs/dbraw/zinc/41/58/36/1078415836.db2.gz DXFXZZNAIKKQJX-UHFFFAOYSA-N 1 1 418.501 0.776 20 30 HCEDMO N#Cc1cccc(N2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC000556086594 1078415833 /nfs/dbraw/zinc/41/58/33/1078415833.db2.gz DXFXZZNAIKKQJX-UHFFFAOYSA-N 1 1 418.501 0.776 20 30 HCEDMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC1 ZINC000556187791 1078494742 /nfs/dbraw/zinc/49/47/42/1078494742.db2.gz PPTDGEHHFCCFBV-UHFFFAOYSA-N 1 1 413.522 0.869 20 30 HCEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000556269802 1078570989 /nfs/dbraw/zinc/57/09/89/1078570989.db2.gz QOVYGAXQTARDSC-GOSISDBHSA-N 1 1 415.494 0.254 20 30 HCEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000556269808 1078570982 /nfs/dbraw/zinc/57/09/82/1078570982.db2.gz QOVYGAXQTARDSC-SFHVURJKSA-N 1 1 415.494 0.254 20 30 HCEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000556270255 1078571458 /nfs/dbraw/zinc/57/14/58/1078571458.db2.gz ZLYDJYIZQVGMLT-UHFFFAOYSA-N 1 1 405.474 0.430 20 30 HCEDMO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000556361236 1078657996 /nfs/dbraw/zinc/65/79/96/1078657996.db2.gz SSBXNUWKZNRFEL-CEXWTWQISA-N 1 1 409.490 0.913 20 30 HCEDMO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000556361239 1078658130 /nfs/dbraw/zinc/65/81/30/1078658130.db2.gz SSBXNUWKZNRFEL-FHWLQOOXSA-N 1 1 409.490 0.913 20 30 HCEDMO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000556361242 1078658020 /nfs/dbraw/zinc/65/80/20/1078658020.db2.gz SSBXNUWKZNRFEL-GBESFXJTSA-N 1 1 409.490 0.913 20 30 HCEDMO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000556361244 1078658114 /nfs/dbraw/zinc/65/81/14/1078658114.db2.gz SSBXNUWKZNRFEL-QYZOEREBSA-N 1 1 409.490 0.913 20 30 HCEDMO Cc1cc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)n(CCC#N)n1 ZINC000556681430 1078905563 /nfs/dbraw/zinc/90/55/63/1078905563.db2.gz XUZWDJNIWUTVTD-GOSISDBHSA-N 1 1 410.478 0.579 20 30 HCEDMO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2CC)cc1 ZINC000556685980 1078909287 /nfs/dbraw/zinc/90/92/87/1078909287.db2.gz VBROVQSRWNXMAK-INIZCTEOSA-N 1 1 408.524 0.984 20 30 HCEDMO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2CC)cc1 ZINC000556685980 1078909284 /nfs/dbraw/zinc/90/92/84/1078909284.db2.gz VBROVQSRWNXMAK-INIZCTEOSA-N 1 1 408.524 0.984 20 30 HCEDMO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2CC)cc1 ZINC000556685981 1078909873 /nfs/dbraw/zinc/90/98/73/1078909873.db2.gz VBROVQSRWNXMAK-MRXNPFEDSA-N 1 1 408.524 0.984 20 30 HCEDMO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2CC)cc1 ZINC000556685981 1078909865 /nfs/dbraw/zinc/90/98/65/1078909865.db2.gz VBROVQSRWNXMAK-MRXNPFEDSA-N 1 1 408.524 0.984 20 30 HCEDMO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000557011530 1079082949 /nfs/dbraw/zinc/08/29/49/1079082949.db2.gz JPKRXQPPJWWWKQ-AWEZNQCLSA-N 1 1 424.461 0.808 20 30 HCEDMO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000557011538 1079083011 /nfs/dbraw/zinc/08/30/11/1079083011.db2.gz JPKRXQPPJWWWKQ-CQSZACIVSA-N 1 1 424.461 0.808 20 30 HCEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCCCN3CCCC3=O)CC2)cc1 ZINC000557045464 1079105381 /nfs/dbraw/zinc/10/53/81/1079105381.db2.gz DEDXQSPGEFZYEX-UHFFFAOYSA-N 1 1 411.506 0.721 20 30 HCEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCCCN3CCCC3=O)CC2)cc1 ZINC000557045464 1079105375 /nfs/dbraw/zinc/10/53/75/1079105375.db2.gz DEDXQSPGEFZYEX-UHFFFAOYSA-N 1 1 411.506 0.721 20 30 HCEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@@H]2C1 ZINC000572517810 1077320937 /nfs/dbraw/zinc/32/09/37/1077320937.db2.gz JYWYOZZAIIUKKC-GUDVDZBRSA-N 1 1 409.490 0.328 20 30 HCEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000594743259 1074774638 /nfs/dbraw/zinc/77/46/38/1074774638.db2.gz GAQHDKKDGOVQCL-GJZGRUSLSA-N 1 1 408.524 0.841 20 30 HCEDMO CC(C)[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000603446295 1073522584 /nfs/dbraw/zinc/52/25/84/1073522584.db2.gz BSMQTBXWALTGMA-GOSISDBHSA-N 1 1 408.524 0.652 20 30 HCEDMO CC(C)[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000603446296 1073522546 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1 421.505 0.952 20 30 HCEDMO C[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCO1 ZINC000608976980 1074527070 /nfs/dbraw/zinc/52/70/70/1074527070.db2.gz VHHQZUUPPRRLAE-INIZCTEOSA-N 1 1 406.508 0.502 20 30 HCEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCO1 ZINC000608976981 1074526992 /nfs/dbraw/zinc/52/69/92/1074526992.db2.gz VHHQZUUPPRRLAE-MRXNPFEDSA-N 1 1 406.508 0.502 20 30 HCEDMO COCC[N@@H+](C)CCOc1cccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)c1 ZINC000609040014 1074533893 /nfs/dbraw/zinc/53/38/93/1074533893.db2.gz NVSRACVTKWHUFQ-UHFFFAOYSA-N 1 1 401.467 0.525 20 30 HCEDMO N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000609077637 1074813172 /nfs/dbraw/zinc/81/31/72/1074813172.db2.gz INMXVYDEQPGSHD-KRWDZBQOSA-N 1 1 406.508 0.177 20 30 HCEDMO N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000609077638 1074813303 /nfs/dbraw/zinc/81/33/03/1074813303.db2.gz INMXVYDEQPGSHD-QGZVFWFLSA-N 1 1 406.508 0.177 20 30 HCEDMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000609086008 1075304476 /nfs/dbraw/zinc/30/44/76/1075304476.db2.gz JBWBEMZANFQIDN-UHFFFAOYSA-N 1 1 409.393 0.425 20 30 HCEDMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000609087500 1075314161 /nfs/dbraw/zinc/31/41/61/1075314161.db2.gz TXRFJJLIRSEPAQ-UHFFFAOYSA-N 1 1 409.393 0.378 20 30 HCEDMO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000609128586 1075880853 /nfs/dbraw/zinc/88/08/53/1075880853.db2.gz FEOYLSFLMBTZFW-FQEVSTJZSA-N 1 1 411.506 0.720 20 30 HCEDMO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000609128586 1075880851 /nfs/dbraw/zinc/88/08/51/1075880851.db2.gz FEOYLSFLMBTZFW-FQEVSTJZSA-N 1 1 411.506 0.720 20 30 HCEDMO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000609128587 1075880770 /nfs/dbraw/zinc/88/07/70/1075880770.db2.gz FEOYLSFLMBTZFW-HXUWFJFHSA-N 1 1 411.506 0.720 20 30 HCEDMO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000609128587 1075880768 /nfs/dbraw/zinc/88/07/68/1075880768.db2.gz FEOYLSFLMBTZFW-HXUWFJFHSA-N 1 1 411.506 0.720 20 30 HCEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000609170862 1077446058 /nfs/dbraw/zinc/44/60/58/1077446058.db2.gz XEDYJLYAIHXQFX-GOSISDBHSA-N 1 1 409.494 0.999 20 30 HCEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000609170865 1077446085 /nfs/dbraw/zinc/44/60/85/1077446085.db2.gz XEDYJLYAIHXQFX-SFHVURJKSA-N 1 1 409.494 0.999 20 30 HCEDMO N#Cc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000609196315 1077519040 /nfs/dbraw/zinc/51/90/40/1077519040.db2.gz GYEQNBMDURBWQM-UHFFFAOYSA-N 1 1 401.496 0.624 20 30 HCEDMO N#Cc1ccc(N2CCC(NC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)nc1 ZINC000609199767 1077532251 /nfs/dbraw/zinc/53/22/51/1077532251.db2.gz JHOPHLXDYWXTBD-QGZVFWFLSA-N 1 1 413.526 0.809 20 30 HCEDMO N#Cc1ccc(CN2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000609199896 1077532077 /nfs/dbraw/zinc/53/20/77/1077532077.db2.gz WFZBLMUGKBXMEZ-FQEVSTJZSA-N 1 1 412.538 0.973 20 30 HCEDMO N#Cc1ccc(CN2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000609199898 1077532117 /nfs/dbraw/zinc/53/21/17/1077532117.db2.gz WFZBLMUGKBXMEZ-HXUWFJFHSA-N 1 1 412.538 0.973 20 30 HCEDMO N#Cc1cnn(-c2ccc(C(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)cc2)c1N ZINC000609202745 1077538463 /nfs/dbraw/zinc/53/84/63/1077538463.db2.gz YRHVHWIIDICENH-GOSISDBHSA-N 1 1 407.478 0.880 20 30 HCEDMO N#Cc1cnn(-c2ccc(C(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)cc2)c1N ZINC000609202750 1077538621 /nfs/dbraw/zinc/53/86/21/1077538621.db2.gz YRHVHWIIDICENH-SFHVURJKSA-N 1 1 407.478 0.880 20 30 HCEDMO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000609204252 1077539536 /nfs/dbraw/zinc/53/95/36/1077539536.db2.gz ZBCNFVVLEIPNCX-KRWDZBQOSA-N 1 1 420.535 0.486 20 30 HCEDMO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC000609204263 1077539452 /nfs/dbraw/zinc/53/94/52/1077539452.db2.gz ZBCNFVVLEIPNCX-QGZVFWFLSA-N 1 1 420.535 0.486 20 30 HCEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O ZINC000609214060 1077646410 /nfs/dbraw/zinc/64/64/10/1077646410.db2.gz OWUHTOVXRPGPDQ-MOPGFXCFSA-N 1 1 405.543 0.394 20 30 HCEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O ZINC000609214064 1077646014 /nfs/dbraw/zinc/64/60/14/1077646014.db2.gz OWUHTOVXRPGPDQ-OALUTQOASA-N 1 1 405.543 0.394 20 30 HCEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O ZINC000609214066 1077645851 /nfs/dbraw/zinc/64/58/51/1077645851.db2.gz OWUHTOVXRPGPDQ-RBUKOAKNSA-N 1 1 405.543 0.394 20 30 HCEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O ZINC000609214067 1077645955 /nfs/dbraw/zinc/64/59/55/1077645955.db2.gz OWUHTOVXRPGPDQ-RTBURBONSA-N 1 1 405.543 0.394 20 30 HCEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O ZINC000609214294 1077740523 /nfs/dbraw/zinc/74/05/23/1077740523.db2.gz VTYHOSXRULTDHY-MOPGFXCFSA-N 1 1 410.522 0.935 20 30 HCEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O ZINC000609214299 1077740508 /nfs/dbraw/zinc/74/05/08/1077740508.db2.gz VTYHOSXRULTDHY-OALUTQOASA-N 1 1 410.522 0.935 20 30 HCEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O ZINC000609214301 1077740602 /nfs/dbraw/zinc/74/06/02/1077740602.db2.gz VTYHOSXRULTDHY-RBUKOAKNSA-N 1 1 410.522 0.935 20 30 HCEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O ZINC000609214302 1077740559 /nfs/dbraw/zinc/74/05/59/1077740559.db2.gz VTYHOSXRULTDHY-RTBURBONSA-N 1 1 410.522 0.935 20 30 HCEDMO CN(C(=O)COc1ccc(C#N)cc1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000609266983 1078335693 /nfs/dbraw/zinc/33/56/93/1078335693.db2.gz PCXBPSUIUVGJBR-UHFFFAOYSA-N 1 1 413.522 0.634 20 30 HCEDMO CN(C(=O)COc1ccccc1C#N)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000609267020 1078337689 /nfs/dbraw/zinc/33/76/89/1078337689.db2.gz SQHLBRVSLJNZDM-UHFFFAOYSA-N 1 1 413.522 0.634 20 30 HCEDMO CN(C(=O)CNc1ccc(C#N)cc1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000609267109 1078337171 /nfs/dbraw/zinc/33/71/71/1078337171.db2.gz WDSQDCIDYWXQJH-UHFFFAOYSA-N 1 1 412.538 0.667 20 30 HCEDMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000609282196 1078463612 /nfs/dbraw/zinc/46/36/12/1078463612.db2.gz KFWWXGOVLLBTMM-GOSISDBHSA-N 1 1 400.483 0.653 20 30 HCEDMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000609282197 1078463565 /nfs/dbraw/zinc/46/35/65/1078463565.db2.gz KFWWXGOVLLBTMM-SFHVURJKSA-N 1 1 400.483 0.653 20 30 HCEDMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@@H](C#N)C3)c2)CC1 ZINC000609282219 1078463573 /nfs/dbraw/zinc/46/35/73/1078463573.db2.gz NHLVALJQRAGXNS-INIZCTEOSA-N 1 1 407.496 0.769 20 30 HCEDMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@@H](C#N)C3)c2)CC1 ZINC000609282219 1078463571 /nfs/dbraw/zinc/46/35/71/1078463571.db2.gz NHLVALJQRAGXNS-INIZCTEOSA-N 1 1 407.496 0.769 20 30 HCEDMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@H](C#N)C3)c2)CC1 ZINC000609282220 1078464058 /nfs/dbraw/zinc/46/40/58/1078464058.db2.gz NHLVALJQRAGXNS-MRXNPFEDSA-N 1 1 407.496 0.769 20 30 HCEDMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@H](C#N)C3)c2)CC1 ZINC000609282220 1078464054 /nfs/dbraw/zinc/46/40/54/1078464054.db2.gz NHLVALJQRAGXNS-MRXNPFEDSA-N 1 1 407.496 0.769 20 30 HCEDMO N#C[C@@H]1CN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CCO1 ZINC000609282973 1078471092 /nfs/dbraw/zinc/47/10/92/1078471092.db2.gz JWMTUGAIMNANAX-GOSISDBHSA-N 1 1 401.467 0.781 20 30 HCEDMO N#C[C@H]1CN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CCO1 ZINC000609282976 1078471229 /nfs/dbraw/zinc/47/12/29/1078471229.db2.gz JWMTUGAIMNANAX-SFHVURJKSA-N 1 1 401.467 0.781 20 30 HCEDMO N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000609285742 1078586895 /nfs/dbraw/zinc/58/68/95/1078586895.db2.gz OLUKERIPVIUZJG-MSOLQXFVSA-N 1 1 406.508 0.550 20 30 HCEDMO N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000609285744 1078587788 /nfs/dbraw/zinc/58/77/88/1078587788.db2.gz OLUKERIPVIUZJG-QZTJIDSGSA-N 1 1 406.508 0.550 20 30 HCEDMO N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000609285745 1078587634 /nfs/dbraw/zinc/58/76/34/1078587634.db2.gz OLUKERIPVIUZJG-ROUUACIJSA-N 1 1 406.508 0.550 20 30 HCEDMO N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000609285746 1078587556 /nfs/dbraw/zinc/58/75/56/1078587556.db2.gz OLUKERIPVIUZJG-ZWKOTPCHSA-N 1 1 406.508 0.550 20 30 HCEDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000609316064 1079164610 /nfs/dbraw/zinc/16/46/10/1079164610.db2.gz VJEDZUMOBWEHTH-AEFFLSMTSA-N 1 1 420.535 0.626 20 30 HCEDMO C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000609316065 1079164492 /nfs/dbraw/zinc/16/44/92/1079164492.db2.gz VJEDZUMOBWEHTH-FUHWJXTLSA-N 1 1 420.535 0.626 20 30 HCEDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000609316066 1079164423 /nfs/dbraw/zinc/16/44/23/1079164423.db2.gz VJEDZUMOBWEHTH-SJLPKXTDSA-N 1 1 420.535 0.626 20 30 HCEDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000609316067 1079164513 /nfs/dbraw/zinc/16/45/13/1079164513.db2.gz VJEDZUMOBWEHTH-WMZOPIPTSA-N 1 1 420.535 0.626 20 30 HCEDMO CC(C)(C)C[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000609317108 1079175817 /nfs/dbraw/zinc/17/58/17/1079175817.db2.gz LFZPSUKUUZWYKU-UHFFFAOYSA-N 1 1 422.551 0.732 20 30 HCEDMO CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3F)c(=O)n2C)CC1 ZINC000609350225 1079247780 /nfs/dbraw/zinc/24/77/80/1079247780.db2.gz DXZKQDMVNZYBEK-UHFFFAOYSA-N 1 1 418.469 0.392 20 30 HCEDMO N#CCCCS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000609352341 1079247831 /nfs/dbraw/zinc/24/78/31/1079247831.db2.gz XEVJFZRLLMZWCH-KRWDZBQOSA-N 1 1 406.508 0.834 20 30 HCEDMO N#CCCCS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000609352342 1079247922 /nfs/dbraw/zinc/24/79/22/1079247922.db2.gz XEVJFZRLLMZWCH-QGZVFWFLSA-N 1 1 406.508 0.834 20 30 HCEDMO N#Cc1ccc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(F)c1 ZINC000609355103 1079249389 /nfs/dbraw/zinc/24/93/89/1079249389.db2.gz KXWCSERHHPDDQO-GOSISDBHSA-N 1 1 402.474 0.869 20 30 HCEDMO N#Cc1ccc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)c(F)c1 ZINC000609355104 1079249344 /nfs/dbraw/zinc/24/93/44/1079249344.db2.gz KXWCSERHHPDDQO-SFHVURJKSA-N 1 1 402.474 0.869 20 30 HCEDMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000609402299 1079257323 /nfs/dbraw/zinc/25/73/23/1079257323.db2.gz GRFHCXSSGXOUHD-UHFFFAOYSA-N 1 1 403.508 0.911 20 30 HCEDMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000609404711 1079257792 /nfs/dbraw/zinc/25/77/92/1079257792.db2.gz OLCYJPGYRNFDIN-UHFFFAOYSA-N 1 1 403.508 0.957 20 30 HCEDMO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1S(=O)(=O)NCC#N ZINC000609414537 1079259513 /nfs/dbraw/zinc/25/95/13/1079259513.db2.gz WVUCMORRXLYXLO-IAGOWNOFSA-N 1 1 406.508 0.468 20 30 HCEDMO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1S(=O)(=O)NCC#N ZINC000609414539 1079259389 /nfs/dbraw/zinc/25/93/89/1079259389.db2.gz WVUCMORRXLYXLO-IRXDYDNUSA-N 1 1 406.508 0.468 20 30 HCEDMO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1S(=O)(=O)NCC#N ZINC000609414541 1079259243 /nfs/dbraw/zinc/25/92/43/1079259243.db2.gz WVUCMORRXLYXLO-SJORKVTESA-N 1 1 406.508 0.468 20 30 HCEDMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)CC1 ZINC000609425688 1079261357 /nfs/dbraw/zinc/26/13/57/1079261357.db2.gz XNWBHXKNHYVSFV-UHFFFAOYSA-N 1 1 404.559 0.950 20 30 HCEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000609462667 1079269168 /nfs/dbraw/zinc/26/91/68/1079269168.db2.gz 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ZINC000762645188 1077874226 /nfs/dbraw/zinc/87/42/26/1077874226.db2.gz XRLGVWNSADEDPN-OAHLLOKOSA-N 1 1 408.524 0.732 20 30 HCEDMO C[N@H+]1CC[C@](O)(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000762720741 1077891684 /nfs/dbraw/zinc/89/16/84/1077891684.db2.gz ZJGDGCQECCIMLA-IBGZPJMESA-N 1 1 408.524 0.468 20 30 HCEDMO C[N@H+]1CC[C@@](O)(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000762720742 1077891636 /nfs/dbraw/zinc/89/16/36/1077891636.db2.gz ZJGDGCQECCIMLA-LJQANCHMSA-N 1 1 408.524 0.468 20 30 HCEDMO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000762722507 1077891709 /nfs/dbraw/zinc/89/17/09/1077891709.db2.gz RBASRYFEIHABKQ-HNAYVOBHSA-N 1 1 408.524 0.323 20 30 HCEDMO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762722510 1077891678 /nfs/dbraw/zinc/89/16/78/1077891678.db2.gz RBASRYFEIHABKQ-KXBFYZLASA-N 1 1 408.524 0.323 20 30 HCEDMO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000762724682 1077889706 /nfs/dbraw/zinc/88/97/06/1077889706.db2.gz VIBARGHBPUMFSZ-HNAYVOBHSA-N 1 1 408.524 0.467 20 30 HCEDMO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762724685 1077889689 /nfs/dbraw/zinc/88/96/89/1077889689.db2.gz VIBARGHBPUMFSZ-KXBFYZLASA-N 1 1 408.524 0.467 20 30 HCEDMO CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000762811238 1077897773 /nfs/dbraw/zinc/89/77/73/1077897773.db2.gz KIVDVKYTKRGGEG-RWZYYMRUSA-N 1 1 409.512 0.688 20 30 HCEDMO CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000762811240 1077897806 /nfs/dbraw/zinc/89/78/06/1077897806.db2.gz KIVDVKYTKRGGEG-SAGAUJLNSA-N 1 1 409.512 0.688 20 30 HCEDMO CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000762811242 1077897756 /nfs/dbraw/zinc/89/77/56/1077897756.db2.gz KIVDVKYTKRGGEG-TVJQZGFISA-N 1 1 409.512 0.688 20 30 HCEDMO CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000762811244 1077897819 /nfs/dbraw/zinc/89/78/19/1077897819.db2.gz KIVDVKYTKRGGEG-WKSXIXGESA-N 1 1 409.512 0.688 20 30 HCEDMO CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762829398 1077899743 /nfs/dbraw/zinc/89/97/43/1077899743.db2.gz YVMLDVVGZYAKLF-RWZYYMRUSA-N 1 1 409.512 0.688 20 30 HCEDMO CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762829402 1077899777 /nfs/dbraw/zinc/89/97/77/1077899777.db2.gz YVMLDVVGZYAKLF-SAGAUJLNSA-N 1 1 409.512 0.688 20 30 HCEDMO CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762829407 1077899730 /nfs/dbraw/zinc/89/97/30/1077899730.db2.gz YVMLDVVGZYAKLF-TVJQZGFISA-N 1 1 409.512 0.688 20 30 HCEDMO CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762829413 1077899739 /nfs/dbraw/zinc/89/97/39/1077899739.db2.gz YVMLDVVGZYAKLF-WKSXIXGESA-N 1 1 409.512 0.688 20 30 HCEDMO C[C@H](CC(=O)NCCCC[N@H+]1CCC[C@H]1CO)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000763068978 1078003129 /nfs/dbraw/zinc/00/31/29/1078003129.db2.gz GVBWFJGHKBSXNV-CVEARBPZSA-N 1 1 422.551 0.857 20 30 HCEDMO C[C@H](CC(=O)NCCCC[N@H+]1CCC[C@@H]1CO)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000763068979 1078003002 /nfs/dbraw/zinc/00/30/02/1078003002.db2.gz GVBWFJGHKBSXNV-HZPDHXFCSA-N 1 1 422.551 0.857 20 30 HCEDMO O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000763072018 1078002604 /nfs/dbraw/zinc/00/26/04/1078002604.db2.gz FLOMXBDTXFNQNY-HNNXBMFYSA-N 1 1 408.524 0.468 20 30 HCEDMO O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000763072019 1078002841 /nfs/dbraw/zinc/00/28/41/1078002841.db2.gz FLOMXBDTXFNQNY-OAHLLOKOSA-N 1 1 408.524 0.468 20 30 HCEDMO O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000763073504 1078002738 /nfs/dbraw/zinc/00/27/38/1078002738.db2.gz ZZFXJGBCIFALEZ-INIZCTEOSA-N 1 1 422.551 0.858 20 30 HCEDMO O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000763073505 1078002819 /nfs/dbraw/zinc/00/28/19/1078002819.db2.gz ZZFXJGBCIFALEZ-MRXNPFEDSA-N 1 1 422.551 0.858 20 30 HCEDMO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000763399382 1078099027 /nfs/dbraw/zinc/09/90/27/1078099027.db2.gz BJSXVDYKKIJGQN-CVEARBPZSA-N 1 1 409.450 0.365 20 30 HCEDMO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000763399383 1078098909 /nfs/dbraw/zinc/09/89/09/1078098909.db2.gz BJSXVDYKKIJGQN-HOTGVXAUSA-N 1 1 409.450 0.365 20 30 HCEDMO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000763399384 1078098937 /nfs/dbraw/zinc/09/89/37/1078098937.db2.gz BJSXVDYKKIJGQN-HZPDHXFCSA-N 1 1 409.450 0.365 20 30 HCEDMO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000763399385 1078098999 /nfs/dbraw/zinc/09/89/99/1078098999.db2.gz BJSXVDYKKIJGQN-JKSUJKDBSA-N 1 1 409.450 0.365 20 30 HCEDMO C=CCn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)N1CC[NH+](CC)CC1 ZINC000763432604 1078727998 /nfs/dbraw/zinc/72/79/98/1078727998.db2.gz HHCVBLHSNQPUCX-UHFFFAOYSA-N 1 1 411.531 0.101 20 30 HCEDMO CCCn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)N1CC[NH+](CC)CC1 ZINC000763433072 1078674865 /nfs/dbraw/zinc/67/48/65/1078674865.db2.gz CJXCSMDFXXDORE-UHFFFAOYSA-N 1 1 413.547 0.325 20 30 HCEDMO CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C2CC2)CC1 ZINC000763452513 1079261999 /nfs/dbraw/zinc/26/19/99/1079261999.db2.gz GSBFIMSPMYKMFL-UHFFFAOYSA-N 1 1 411.531 0.250 20 30 HCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000763590302 1078931254 /nfs/dbraw/zinc/93/12/54/1078931254.db2.gz PWFSSYZUUCBEPH-UHFFFAOYSA-N 1 1 401.492 0.730 20 30 HCEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000763606580 1078974396 /nfs/dbraw/zinc/97/43/96/1078974396.db2.gz MZXPLEDWUHCAOA-UHFFFAOYSA-N 1 1 401.492 0.730 20 30 HCEDMO O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000763712607 1079091982 /nfs/dbraw/zinc/09/19/82/1079091982.db2.gz HMJVDGCCNYOHFY-CVEARBPZSA-N 1 1 406.508 0.485 20 30 HCEDMO O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000763712608 1079091842 /nfs/dbraw/zinc/09/18/42/1079091842.db2.gz HMJVDGCCNYOHFY-HZPDHXFCSA-N 1 1 406.508 0.485 20 30 HCEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000763713630 1079093870 /nfs/dbraw/zinc/09/38/70/1079093870.db2.gz JSCXSSGACGOTIQ-MOPGFXCFSA-N 1 1 405.520 0.971 20 30 HCEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000763713633 1079093926 /nfs/dbraw/zinc/09/39/26/1079093926.db2.gz JSCXSSGACGOTIQ-OALUTQOASA-N 1 1 405.520 0.971 20 30 HCEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000763713635 1079094066 /nfs/dbraw/zinc/09/40/66/1079094066.db2.gz JSCXSSGACGOTIQ-RBUKOAKNSA-N 1 1 405.520 0.971 20 30 HCEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000763713637 1079093826 /nfs/dbraw/zinc/09/38/26/1079093826.db2.gz JSCXSSGACGOTIQ-RTBURBONSA-N 1 1 405.520 0.971 20 30 HCEDMO O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000763714751 1079092316 /nfs/dbraw/zinc/09/23/16/1079092316.db2.gz MFCFQCACJXBCMB-IAGOWNOFSA-N 1 1 420.535 0.875 20 30 HCEDMO O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000763714754 1079092394 /nfs/dbraw/zinc/09/23/94/1079092394.db2.gz MFCFQCACJXBCMB-SJORKVTESA-N 1 1 420.535 0.875 20 30 HCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000763719702 1079097515 /nfs/dbraw/zinc/09/75/15/1079097515.db2.gz ZBWSTRYQJUQYPA-MOPGFXCFSA-N 1 1 405.520 0.971 20 30 HCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000763719703 1079097474 /nfs/dbraw/zinc/09/74/74/1079097474.db2.gz ZBWSTRYQJUQYPA-OALUTQOASA-N 1 1 405.520 0.971 20 30 HCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000763719705 1079097872 /nfs/dbraw/zinc/09/78/72/1079097872.db2.gz ZBWSTRYQJUQYPA-RBUKOAKNSA-N 1 1 405.520 0.971 20 30 HCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000763719706 1079097913 /nfs/dbraw/zinc/09/79/13/1079097913.db2.gz ZBWSTRYQJUQYPA-RTBURBONSA-N 1 1 405.520 0.971 20 30 HCEDMO C#CCN1CCN(C(=O)CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CC1 ZINC000764383151 1079335804 /nfs/dbraw/zinc/33/58/04/1079335804.db2.gz NSEYSKBBWGFANV-UHFFFAOYSA-N 1 1 417.598 0.468 20 30 HCEDMO C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1=O ZINC000764953227 1079382948 /nfs/dbraw/zinc/38/29/48/1079382948.db2.gz DWGWVQSCXCFHKC-INIZCTEOSA-N 1 1 417.535 0.942 20 30 HCEDMO C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1=O ZINC000764953232 1079383062 /nfs/dbraw/zinc/38/30/62/1079383062.db2.gz DWGWVQSCXCFHKC-MRXNPFEDSA-N 1 1 417.535 0.942 20 30 HCEDMO C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1=O ZINC000765128679 1079392543 /nfs/dbraw/zinc/39/25/43/1079392543.db2.gz ZETLIAXVYXARRD-UHFFFAOYSA-N 1 1 415.469 0.458 20 30 HCEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000785435837 1079491288 /nfs/dbraw/zinc/49/12/88/1079491288.db2.gz IEIDOXXSSVSSQE-MRXNPFEDSA-N 1 1 405.520 0.923 20 30 HCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC000785436456 1079551003 /nfs/dbraw/zinc/55/10/03/1079551003.db2.gz ROSPOKVRGDJXHH-MRXNPFEDSA-N 1 1 405.520 0.923 20 30 HCEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000785436846 1079545509 /nfs/dbraw/zinc/54/55/09/1079545509.db2.gz WWIRAQZPRJGNSC-CQSZACIVSA-N 1 1 406.508 0.437 20 30 HCEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000785439327 1079775631 /nfs/dbraw/zinc/77/56/31/1079775631.db2.gz QJZOPGNNDXCOSC-OAHLLOKOSA-N 1 1 420.535 0.827 20 30 HCEDMO C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000803378096 1080097173 /nfs/dbraw/zinc/09/71/73/1080097173.db2.gz LWJDHQZWVHOCTD-HNNXBMFYSA-N 1 1 409.508 0.860 20 30 HCEDMO C=CCNS(=O)(=O)c1cc(C(=O)NC2CC[NH+](CC(=O)NC)CC2)ccc1F ZINC000914780056 1077754042 /nfs/dbraw/zinc/75/40/42/1077754042.db2.gz BXCBMFKLCGCJCS-UHFFFAOYSA-N 1 1 412.487 0.230 20 30 HCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000914879190 1077793843 /nfs/dbraw/zinc/79/38/43/1077793843.db2.gz BALFBWSBMNMDTM-GOSISDBHSA-N 1 1 405.520 0.925 20 30 HCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000914879192 1077793778 /nfs/dbraw/zinc/79/37/78/1077793778.db2.gz BALFBWSBMNMDTM-SFHVURJKSA-N 1 1 405.520 0.925 20 30 HCEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000914879884 1077794103 /nfs/dbraw/zinc/79/41/03/1077794103.db2.gz VTBIDHOSIXDWMR-GOSISDBHSA-N 1 1 405.520 0.925 20 30 HCEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000914879885 1077793687 /nfs/dbraw/zinc/79/36/87/1077793687.db2.gz VTBIDHOSIXDWMR-SFHVURJKSA-N 1 1 405.520 0.925 20 30 HCEDMO COCC[N@@H+](C)CCCNC(=O)[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(C)C ZINC000915089151 1077829215 /nfs/dbraw/zinc/82/92/15/1077829215.db2.gz YLYJOPGVXWDILC-KRWDZBQOSA-N 1 1 410.540 0.834 20 30 HCEDMO N#CCOc1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000915757134 1077969534 /nfs/dbraw/zinc/96/95/34/1077969534.db2.gz QRJNDXCWDRGCTR-UHFFFAOYSA-N 1 1 423.477 0.646 20 30 HCEDMO CC(=NNC(=S)NCCN1CCOCC1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000915926720 1078054270 /nfs/dbraw/zinc/05/42/70/1078054270.db2.gz XOXYBKUOWZFEHV-UHFFFAOYSA-N 1 1 421.567 0.745 20 30 HCEDMO Cc1cc(C=NNC(=S)NCCN2CCOCC2)c(C)n1CC[NH+]1CCOCC1 ZINC000915941089 1078054504 /nfs/dbraw/zinc/05/45/04/1078054504.db2.gz OSFITTFTGFNMMI-UHFFFAOYSA-N 1 1 422.599 0.567 20 30 HCEDMO CNS(=O)(=O)c1cccc(C(C)=NNC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000915942069 1078054785 /nfs/dbraw/zinc/05/47/85/1078054785.db2.gz HORRYHHXAIOWOO-UHFFFAOYSA-N 1 1 413.569 0.505 20 30 HCEDMO Cc1cc(CN=Nc2ccc(S(N)(=O)=O)cn2)c(C)n1CC[NH+]1CCOCC1 ZINC000915961451 1078055621 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