smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@@H+](CC)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001500790432 1069314478 /nfs/dbraw/zinc/31/44/78/1069314478.db2.gz USZVLWYHCNSZMV-RTBURBONSA-N 1 1 453.595 1.891 20 30 JDEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001500993472 1069347712 /nfs/dbraw/zinc/34/77/12/1069347712.db2.gz HCVRLBIEQRZGGQ-GUDVDZBRSA-N 1 1 467.640 1.471 20 30 JDEDMO CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001501218783 1069466398 /nfs/dbraw/zinc/46/63/98/1069466398.db2.gz WBIQKRINSXNLLQ-WIYYLYMNSA-N 1 1 467.574 1.412 20 30 JDEDMO CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001501224182 1069470672 /nfs/dbraw/zinc/47/06/72/1069470672.db2.gz QGMCRSLWCAGVEB-GMAHTHKFSA-N 1 1 481.601 1.722 20 30 JDEDMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 ZINC001501495801 1069541639 /nfs/dbraw/zinc/54/16/39/1069541639.db2.gz PGNUNHYGCHUZNA-PMACEKPBSA-N 1 1 458.588 1.409 20 30 JDEDMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 ZINC001501495803 1069541710 /nfs/dbraw/zinc/54/17/10/1069541710.db2.gz PGNUNHYGCHUZNA-UXHICEINSA-N 1 1 458.588 1.409 20 30 JDEDMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 ZINC001477514762 1069829516 /nfs/dbraw/zinc/82/95/16/1069829516.db2.gz UDGUQBZARWXZNH-UHFFFAOYSA-N 1 1 456.543 1.895 20 30 JDEDMO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)C(C)C ZINC001502190800 1069849679 /nfs/dbraw/zinc/84/96/79/1069849679.db2.gz VSMNQXPIXATZNF-UHFFFAOYSA-N 1 1 452.607 1.757 20 30 JDEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001502250081 1069932513 /nfs/dbraw/zinc/93/25/13/1069932513.db2.gz TXPVMIXBHREBDB-ROUUACIJSA-N 1 1 460.604 1.797 20 30 JDEDMO CC[N@H+]1CC[C@@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001502271623 1069994724 /nfs/dbraw/zinc/99/47/24/1069994724.db2.gz JAYYIOSVJUUJSK-TZIWHRDSSA-N 1 1 468.606 1.937 20 30 JDEDMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001502272696 1069997789 /nfs/dbraw/zinc/99/77/89/1069997789.db2.gz AQKQXYGFCIOMBB-FQEVSTJZSA-N 1 1 450.591 1.369 20 30 JDEDMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001502278640 1070007451 /nfs/dbraw/zinc/00/74/51/1070007451.db2.gz HLNGHXOQCFADFG-MJGOQNOKSA-N 1 1 460.604 1.940 20 30 JDEDMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001502292383 1070034162 /nfs/dbraw/zinc/03/41/62/1070034162.db2.gz QKTCFCFSIOGQPX-LJQANCHMSA-N 1 1 482.637 1.531 20 30 JDEDMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001502293343 1070035755 /nfs/dbraw/zinc/03/57/55/1070035755.db2.gz CVYQLSFGVOUPCP-JOCHJYFZSA-N 1 1 492.628 1.864 20 30 JDEDMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001502299062 1070042914 /nfs/dbraw/zinc/04/29/14/1070042914.db2.gz FHFRMHWNPGOPPT-RZUBCFFCSA-N 1 1 482.585 1.963 20 30 JDEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502310603 1070075023 /nfs/dbraw/zinc/07/50/23/1070075023.db2.gz CKIWBIQETHSZFF-WMZHIEFXSA-N 1 1 480.617 1.184 20 30 JDEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502311666 1070080345 /nfs/dbraw/zinc/08/03/45/1070080345.db2.gz XGDRTZCUKNBCIB-RTBURBONSA-N 1 1 450.591 1.510 20 30 JDEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502311062 1070076598 /nfs/dbraw/zinc/07/65/98/1070076598.db2.gz LSWKGAXQQIDGNF-PXNSSMCTSA-N 1 1 454.535 1.608 20 30 JDEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502311663 1070081400 /nfs/dbraw/zinc/08/14/00/1070081400.db2.gz XGDRTZCUKNBCIB-MOPGFXCFSA-N 1 1 450.591 1.510 20 30 JDEDMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001502312244 1070083030 /nfs/dbraw/zinc/08/30/30/1070083030.db2.gz IWIZAWQOIZIFMH-WIYYLYMNSA-N 1 1 450.591 1.763 20 30 JDEDMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001502312241 1070083782 /nfs/dbraw/zinc/08/37/82/1070083782.db2.gz IWIZAWQOIZIFMH-GHTZIAJQSA-N 1 1 450.591 1.763 20 30 JDEDMO CC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001502323776 1070141519 /nfs/dbraw/zinc/14/15/19/1070141519.db2.gz ZQLOXFIPJSFRRB-ICSRJNTNSA-N 1 1 451.575 1.842 20 30 JDEDMO CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001502334857 1070190574 /nfs/dbraw/zinc/19/05/74/1070190574.db2.gz TXOZLMWSJYNQKD-OAQYLSRUSA-N 1 1 450.591 1.511 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001502338769 1070215780 /nfs/dbraw/zinc/21/57/80/1070215780.db2.gz ZPPPIMWPTVCMNO-FDDCHVKYSA-N 1 1 469.569 1.641 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502340886 1070223399 /nfs/dbraw/zinc/22/33/99/1070223399.db2.gz KOOMPUQFJYLQKN-UQBPGWFLSA-N 1 1 464.618 1.792 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502340883 1070222529 /nfs/dbraw/zinc/22/25/29/1070222529.db2.gz KOOMPUQFJYLQKN-CLOONOSVSA-N 1 1 464.618 1.792 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502347116 1070260844 /nfs/dbraw/zinc/26/08/44/1070260844.db2.gz UXBPMIAOXPUXNF-HXUWFJFHSA-N 1 1 494.644 1.704 20 30 JDEDMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502349391 1070266720 /nfs/dbraw/zinc/26/67/20/1070266720.db2.gz WKLGYWDIZQHMTM-DEOSSOPVSA-N 1 1 494.644 1.576 20 30 JDEDMO CC[NH+]1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502355049 1070285650 /nfs/dbraw/zinc/28/56/50/1070285650.db2.gz RTRBAPDQYDJFKN-NRFANRHFSA-N 1 1 464.618 1.936 20 30 JDEDMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001493785619 1070344963 /nfs/dbraw/zinc/34/49/63/1070344963.db2.gz LQFDEKAHSLAHSG-KURKYZTESA-N 1 1 453.613 1.129 20 30 JDEDMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001493792684 1070345373 /nfs/dbraw/zinc/34/53/73/1070345373.db2.gz MORNKLSXQXHVFZ-KNKQGSTJSA-N 1 1 497.641 1.565 20 30 JDEDMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001493796543 1070348532 /nfs/dbraw/zinc/34/85/32/1070348532.db2.gz LPGFAJPOTBDZMC-ICSRJNTNSA-N 1 1 487.630 1.656 20 30 JDEDMO C[C@@H]1CCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001493853436 1070362474 /nfs/dbraw/zinc/36/24/74/1070362474.db2.gz ILIFYUKHFKTPFA-GOSISDBHSA-N 1 1 487.630 1.731 20 30 JDEDMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001494099963 1070394888 /nfs/dbraw/zinc/39/48/88/1070394888.db2.gz MDTXGRKQNBMFBN-KDURUIRLSA-N 1 1 481.601 1.943 20 30 JDEDMO CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001502444483 1070432542 /nfs/dbraw/zinc/43/25/42/1070432542.db2.gz YBVLWKKEYXYWLL-UHFFFAOYSA-N 1 1 452.563 1.391 20 30 JDEDMO CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001502446893 1070437541 /nfs/dbraw/zinc/43/75/41/1070437541.db2.gz FOMXENYKKJNWGG-UHFFFAOYSA-N 1 1 479.633 1.696 20 30 JDEDMO CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001502461347 1070482026 /nfs/dbraw/zinc/48/20/26/1070482026.db2.gz UIZKAWLEUZEORA-HXUWFJFHSA-N 1 1 496.616 1.549 20 30 JDEDMO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001494236747 1070515410 /nfs/dbraw/zinc/51/54/10/1070515410.db2.gz SVMYEDUNWBHVLY-GHTZIAJQSA-N 1 1 451.575 1.842 20 30 JDEDMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001502472632 1070537354 /nfs/dbraw/zinc/53/73/54/1070537354.db2.gz YVLTYAIDVJGYBT-HXUWFJFHSA-N 1 1 487.630 1.446 20 30 JDEDMO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H](C(F)(F)F)O1 ZINC001494470752 1070599511 /nfs/dbraw/zinc/59/95/11/1070599511.db2.gz ZSXNCBMXUHQNAS-FPDPHYFHSA-N 1 1 480.491 1.951 20 30 JDEDMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494518003 1070609309 /nfs/dbraw/zinc/60/93/09/1070609309.db2.gz GKMMTENONWVVBV-MSOLQXFVSA-N 1 1 467.640 1.519 20 30 JDEDMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001496187727 1070833299 /nfs/dbraw/zinc/83/32/99/1070833299.db2.gz IFFOTHBCZCPZKZ-YLJYHZDGSA-N 1 1 455.563 1.410 20 30 JDEDMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001496188250 1070833768 /nfs/dbraw/zinc/83/37/68/1070833768.db2.gz LWJNRWNWESDAMT-IBGZPJMESA-N 1 1 465.606 1.724 20 30 JDEDMO CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CCOC1 ZINC001502729003 1070839448 /nfs/dbraw/zinc/83/94/48/1070839448.db2.gz KRRULSISQFARSV-OFNKIYASSA-N 1 1 458.538 1.930 20 30 JDEDMO CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CC[NH+](CC)CC2)CCOC1 ZINC001502729748 1070840693 /nfs/dbraw/zinc/84/06/93/1070840693.db2.gz SJJPXOKEZQRCFR-OFNKIYASSA-N 1 1 461.611 1.077 20 30 JDEDMO CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503103991 1071054872 /nfs/dbraw/zinc/05/48/72/1071054872.db2.gz PNKSNXYRTMAHKV-NRFANRHFSA-N 1 1 468.606 1.765 20 30 JDEDMO COC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504600396 1071451078 /nfs/dbraw/zinc/45/10/78/1071451078.db2.gz YZUYWNDDZNQOIJ-QFIPXVFZSA-N 1 1 481.601 1.646 20 30 JDEDMO COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H](C)O1 ZINC001504711680 1071567923 /nfs/dbraw/zinc/56/79/23/1071567923.db2.gz GOVRVXRGOMKRJJ-COPCDDAFSA-N 1 1 454.575 1.904 20 30 JDEDMO COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H](C)O1 ZINC001504711682 1071568637 /nfs/dbraw/zinc/56/86/37/1071568637.db2.gz GOVRVXRGOMKRJJ-QIJUGHKUSA-N 1 1 454.575 1.904 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 ZINC001503359687 1071570679 /nfs/dbraw/zinc/57/06/79/1071570679.db2.gz NACFVWBERFBACH-SFTDATJTSA-N 1 1 462.558 1.488 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001503360208 1071572988 /nfs/dbraw/zinc/57/29/88/1071572988.db2.gz PFGAVEOJBBRAGT-DVECYGJZSA-N 1 1 470.622 1.587 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001503361198 1071575781 /nfs/dbraw/zinc/57/57/81/1071575781.db2.gz SYEUGIYEZBNUAJ-GAJHUEQPSA-N 1 1 483.552 1.310 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001503360720 1071574135 /nfs/dbraw/zinc/57/41/35/1071574135.db2.gz QZQCKRRPDYEPRV-BSRJHKFKSA-N 1 1 456.595 1.302 20 30 JDEDMO COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001504714428 1071574718 /nfs/dbraw/zinc/57/47/18/1071574718.db2.gz OWCLLHMMTZCUKI-YADHBBJMSA-N 1 1 481.601 1.611 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001503360784 1071574920 /nfs/dbraw/zinc/57/49/20/1071574920.db2.gz RVKGQPGBVDZNED-IRLDBZIGSA-N 1 1 492.628 1.851 20 30 JDEDMO COCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504755778 1071643309 /nfs/dbraw/zinc/64/33/09/1071643309.db2.gz KOPWBUDFUBCMEK-BWKNWUBXSA-N 1 1 481.601 1.601 20 30 JDEDMO C[NH+](C)CCN1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001503401004 1071662646 /nfs/dbraw/zinc/66/26/46/1071662646.db2.gz GJBNNTNYWFMDOH-UHFFFAOYSA-N 1 1 494.644 1.704 20 30 JDEDMO COCCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001504812618 1071684210 /nfs/dbraw/zinc/68/42/10/1071684210.db2.gz FLSXGFDWWFHIFK-FQEVSTJZSA-N 1 1 452.563 1.341 20 30 JDEDMO CN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)C1CC[NH+](CCn2cccn2)CC1 ZINC001503415523 1071704253 /nfs/dbraw/zinc/70/42/53/1071704253.db2.gz MIBOJALSKKAKAA-UHFFFAOYSA-N 1 1 482.614 1.659 20 30 JDEDMO COCCC[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001504818262 1071699400 /nfs/dbraw/zinc/69/94/00/1071699400.db2.gz DJHSLRISEYNJDN-HSZRJFAPSA-N 1 1 471.585 1.862 20 30 JDEDMO COCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504822119 1071709025 /nfs/dbraw/zinc/70/90/25/1071709025.db2.gz KAIMZULOGGMJPO-PGRDOPGGSA-N 1 1 451.575 1.842 20 30 JDEDMO CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001503438769 1071747506 /nfs/dbraw/zinc/74/75/06/1071747506.db2.gz IRCOBZGPQHISMN-UHFFFAOYSA-N 1 1 497.600 1.135 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001504849164 1071745667 /nfs/dbraw/zinc/74/56/67/1071745667.db2.gz QDCMADAWGYJVFO-QHCPKHFHSA-N 1 1 472.615 1.800 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001504850384 1071748302 /nfs/dbraw/zinc/74/83/02/1071748302.db2.gz DRQHOHYBVAMFMQ-GOSISDBHSA-N 1 1 464.578 1.618 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001504852141 1071753568 /nfs/dbraw/zinc/75/35/68/1071753568.db2.gz SJMPBZBHMKDGGE-UHFFFAOYSA-N 1 1 461.574 1.902 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001504853584 1071758997 /nfs/dbraw/zinc/75/89/97/1071758997.db2.gz GNQXOSMOIJQXHL-GOSISDBHSA-N 1 1 479.507 1.900 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001504853743 1071760295 /nfs/dbraw/zinc/76/02/95/1071760295.db2.gz ALQRVNHHMDNOLN-QFIPXVFZSA-N 1 1 464.574 1.805 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504855502 1071766045 /nfs/dbraw/zinc/76/60/45/1071766045.db2.gz RAAHKRILNINKDL-NRFANRHFSA-N 1 1 494.644 1.528 20 30 JDEDMO COCC[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 ZINC001504859135 1071787136 /nfs/dbraw/zinc/78/71/36/1071787136.db2.gz TWWMOWOWHRSDJB-SFHVURJKSA-N 1 1 479.379 1.927 20 30 JDEDMO CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001503478179 1071798203 /nfs/dbraw/zinc/79/82/03/1071798203.db2.gz XSUHUKQCSAKPMB-NRFANRHFSA-N 1 1 451.575 1.869 20 30 JDEDMO CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[N@H+]1CCCO ZINC001503478929 1071799121 /nfs/dbraw/zinc/79/91/21/1071799121.db2.gz PEHSQZDLVYAYBU-OAQYLSRUSA-N 1 1 451.575 1.755 20 30 JDEDMO COCCN(CCC#N)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001504887186 1071810856 /nfs/dbraw/zinc/81/08/56/1071810856.db2.gz OCSTUEXSYCGYCX-IXFSTUDKSA-N 1 1 477.610 1.482 20 30 JDEDMO COCCN(CCC#N)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001504887762 1071811277 /nfs/dbraw/zinc/81/12/77/1071811277.db2.gz UWMWMPOYWSJRFS-FDDCHVKYSA-N 1 1 477.610 1.783 20 30 JDEDMO COCCN(CCC#N)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001504887763 1071811378 /nfs/dbraw/zinc/81/13/78/1071811378.db2.gz UWMWMPOYWSJRFS-MBSDFSHPSA-N 1 1 477.610 1.783 20 30 JDEDMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001504924760 1071910929 /nfs/dbraw/zinc/91/09/29/1071910929.db2.gz GTCDLRYBBDXSOH-HXUWFJFHSA-N 1 1 491.596 1.941 20 30 JDEDMO COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001504927420 1071922572 /nfs/dbraw/zinc/92/25/72/1071922572.db2.gz WSHIRDHJNVJRIL-NRFANRHFSA-N 1 1 497.644 1.996 20 30 JDEDMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCOCC2)C1 ZINC001504932691 1071943951 /nfs/dbraw/zinc/94/39/51/1071943951.db2.gz XGIQIEZYBKGCQH-NFBKMPQASA-N 1 1 495.628 1.907 20 30 JDEDMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCOCC2)C1 ZINC001504932696 1071943980 /nfs/dbraw/zinc/94/39/80/1071943980.db2.gz XGIQIEZYBKGCQH-NZQKXSOJSA-N 1 1 495.628 1.907 20 30 JDEDMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 ZINC001504941901 1071984823 /nfs/dbraw/zinc/98/48/23/1071984823.db2.gz BWDIKQUCYGANND-YCRNBWNJSA-N 1 1 499.616 1.894 20 30 JDEDMO COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 ZINC001504941885 1071984977 /nfs/dbraw/zinc/98/49/77/1071984977.db2.gz BWDIKQUCYGANND-DNVFCKCGSA-N 1 1 499.616 1.894 20 30 JDEDMO COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 ZINC001504941897 1071985116 /nfs/dbraw/zinc/98/51/16/1071985116.db2.gz BWDIKQUCYGANND-PWHSHALESA-N 1 1 499.616 1.894 20 30 JDEDMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001503677241 1072010549 /nfs/dbraw/zinc/01/05/49/1072010549.db2.gz GADSXDBHOIQFOZ-LAUBAEHRSA-N 1 1 477.491 1.388 20 30 JDEDMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001503677244 1072010874 /nfs/dbraw/zinc/01/08/74/1072010874.db2.gz GADSXDBHOIQFOZ-UTKZUKDTSA-N 1 1 477.491 1.388 20 30 JDEDMO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503680627 1072012001 /nfs/dbraw/zinc/01/20/01/1072012001.db2.gz XNAWUZSBETZYOM-VWLOTQADSA-N 1 1 467.618 1.678 20 30 JDEDMO C[N@H+]1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1(C)C ZINC001503685853 1072018093 /nfs/dbraw/zinc/01/80/93/1072018093.db2.gz YLUIGGUHOZGVAA-UHFFFAOYSA-N 1 1 485.658 1.856 20 30 JDEDMO CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001505131907 1072303935 /nfs/dbraw/zinc/30/39/35/1072303935.db2.gz YMTGBSNPDGAJBK-LJQANCHMSA-N 1 1 458.588 1.410 20 30 JDEDMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)oc1C ZINC001464838152 1067669726 /nfs/dbraw/zinc/66/97/26/1067669726.db2.gz MSLUTBSCGQPVJI-MRXNPFEDSA-N 1 1 459.572 1.858 20 30 JDEDMO CN1CC[NH+](CCOc2ccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2)CC1 ZINC001465470947 1067803206 /nfs/dbraw/zinc/80/32/06/1067803206.db2.gz TXGSEWOONNJFIB-UHFFFAOYSA-N 1 1 456.568 1.738 20 30 JDEDMO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001466133194 1067863573 /nfs/dbraw/zinc/86/35/73/1067863573.db2.gz SBSKSGFMAHJMBE-UCNVEGJOSA-N 1 1 456.568 1.224 20 30 JDEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C(C)C ZINC001467660640 1068047528 /nfs/dbraw/zinc/04/75/28/1068047528.db2.gz VYCYWJTUIPZVCB-LECRGTDLSA-N 1 1 455.621 1.883 20 30 JDEDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC001469098681 1068441321 /nfs/dbraw/zinc/44/13/21/1068441321.db2.gz IBKBCXPHYCHANS-QTGUNEKASA-N 1 1 470.595 1.878 20 30 JDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3ncc(I)cn3)CC2)C1 ZINC001471337275 1068855865 /nfs/dbraw/zinc/85/58/65/1068855865.db2.gz OTYAHGOWNIGHCS-HNNXBMFYSA-N 1 1 454.316 1.010 20 30 JDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3ncc(I)cn3)CC2)C1 ZINC001471337275 1068855867 /nfs/dbraw/zinc/85/58/67/1068855867.db2.gz OTYAHGOWNIGHCS-HNNXBMFYSA-N 1 1 454.316 1.010 20 30 JDEDMO C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC001471451115 1068868041 /nfs/dbraw/zinc/86/80/41/1068868041.db2.gz NIWASYMIAPXCCI-UHFFFAOYSA-N 1 1 457.600 1.020 20 30 JDEDMO N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001472593595 1069036321 /nfs/dbraw/zinc/03/63/21/1069036321.db2.gz FDIMXDVBGOHYQE-FCHUYYIVSA-N 1 1 454.552 1.338 20 30 JDEDMO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C[C@H]1[NH+]1CCOCC1 ZINC001499695452 1069043528 /nfs/dbraw/zinc/04/35/28/1069043528.db2.gz AHTQCIHJBCIBJT-IFMALSPDSA-N 1 1 451.575 1.890 20 30 JDEDMO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC[N@H+]1CCOC ZINC001499698205 1069045220 /nfs/dbraw/zinc/04/52/20/1069045220.db2.gz ZZWAQAKIDAOYJL-NRFANRHFSA-N 1 1 451.575 1.890 20 30 JDEDMO CC[C@@H](C)[C@@H](NC(=O)Cn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2)C(=O)OC ZINC001473061850 1069067819 /nfs/dbraw/zinc/06/78/19/1069067819.db2.gz BQQXKNMNKQDDPR-UZUQRXQVSA-N 1 1 450.539 1.982 20 30 JDEDMO N#Cc1ccccc1OCC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001473263653 1069111323 /nfs/dbraw/zinc/11/13/23/1069111323.db2.gz ZLVPXBWYXGQJHS-UHFFFAOYSA-N 1 1 457.556 1.175 20 30 JDEDMO CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001499898302 1069113173 /nfs/dbraw/zinc/11/31/73/1069113173.db2.gz GYAWAKPYIWKKRB-DEOSSOPVSA-N 1 1 451.575 1.768 20 30 JDEDMO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001473808687 1069227082 /nfs/dbraw/zinc/22/70/82/1069227082.db2.gz ILHGFHHWOJFWHS-GOSISDBHSA-N 1 1 451.589 1.746 20 30 JDEDMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001500772765 1069307766 /nfs/dbraw/zinc/30/77/66/1069307766.db2.gz HWGHVHFPWIFHOA-IBGZPJMESA-N 1 1 480.621 1.623 20 30 JDEDMO N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001505313718 1072480088 /nfs/dbraw/zinc/48/00/88/1072480088.db2.gz DYWIHGYCTSFYLI-NHCUHLMSSA-N 1 1 451.575 1.755 20 30 JDEDMO N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001505321600 1072487202 /nfs/dbraw/zinc/48/72/02/1072487202.db2.gz UCWZFDQQSMTHFC-GOSISDBHSA-N 1 1 457.604 1.856 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001507539227 1072603831 /nfs/dbraw/zinc/60/38/31/1072603831.db2.gz SNEPNTYDUDAHFZ-WIYYLYMNSA-N 1 1 457.600 1.519 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001507549839 1072610825 /nfs/dbraw/zinc/61/08/25/1072610825.db2.gz QJIXSISNGBWUJR-IZZNHLLZSA-N 1 1 496.612 1.442 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)c1 ZINC001507550643 1072612706 /nfs/dbraw/zinc/61/27/06/1072612706.db2.gz NSWBOJXEMNWPSI-LJQANCHMSA-N 1 1 470.599 1.332 20 30 JDEDMO C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507558920 1072618752 /nfs/dbraw/zinc/61/87/52/1072618752.db2.gz ZHVLIEYPZUVUAU-DYXWJJEUSA-N 1 1 493.678 1.071 20 30 JDEDMO C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507558925 1072619497 /nfs/dbraw/zinc/61/94/97/1072619497.db2.gz ZHVLIEYPZUVUAU-IRFCIJBXSA-N 1 1 493.678 1.071 20 30 JDEDMO C#CCCCCn1c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001507576624 1072629573 /nfs/dbraw/zinc/62/95/73/1072629573.db2.gz YTTQWKXTSJGXCD-YKSBVNFPSA-N 1 1 458.607 1.477 20 30 JDEDMO C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[N@@H+]1CCCC ZINC001507616713 1072640256 /nfs/dbraw/zinc/64/02/56/1072640256.db2.gz MQZQCAPLHGJZAK-OALUTQOASA-N 1 1 452.625 1.335 20 30 JDEDMO C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001507616305 1072640325 /nfs/dbraw/zinc/64/03/25/1072640325.db2.gz IJMXDIKDDNGTHL-LJQANCHMSA-N 1 1 452.625 1.335 20 30 JDEDMO C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC[N@@H+]1CCCC ZINC001507616712 1072640606 /nfs/dbraw/zinc/64/06/06/1072640606.db2.gz MQZQCAPLHGJZAK-MOPGFXCFSA-N 1 1 452.625 1.335 20 30 JDEDMO C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507623118 1072650256 /nfs/dbraw/zinc/65/02/56/1072650256.db2.gz RTKFUQDZOHPOKG-PMACEKPBSA-N 1 1 478.663 1.411 20 30 JDEDMO C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001507624495 1072654730 /nfs/dbraw/zinc/65/47/30/1072654730.db2.gz APMYQMNNZAIZLR-DENIHFKCSA-N 1 1 467.636 1.286 20 30 JDEDMO C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507624826 1072655479 /nfs/dbraw/zinc/65/54/79/1072655479.db2.gz DZDPFTIIEWBXTN-RXVVDRJESA-N 1 1 463.991 1.292 20 30 JDEDMO C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507626036 1072660900 /nfs/dbraw/zinc/66/09/00/1072660900.db2.gz MNENXJAOCNIAIX-LGVFNWMJSA-N 1 1 471.627 1.513 20 30 JDEDMO C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507626036 1072660909 /nfs/dbraw/zinc/66/09/09/1072660909.db2.gz MNENXJAOCNIAIX-LGVFNWMJSA-N 1 1 471.627 1.513 20 30 JDEDMO C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507626040 1072661042 /nfs/dbraw/zinc/66/10/42/1072661042.db2.gz MNENXJAOCNIAIX-PQNGQFLHSA-N 1 1 471.627 1.513 20 30 JDEDMO C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507626040 1072661054 /nfs/dbraw/zinc/66/10/54/1072661054.db2.gz MNENXJAOCNIAIX-PQNGQFLHSA-N 1 1 471.627 1.513 20 30 JDEDMO C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[N@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001507627799 1072667466 /nfs/dbraw/zinc/66/74/66/1072667466.db2.gz FZJUMPTWZAHORF-PMACEKPBSA-N 1 1 487.626 1.427 20 30 JDEDMO C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507630189 1072678578 /nfs/dbraw/zinc/67/85/78/1072678578.db2.gz ZUULLLSZYPCZKT-GOSISDBHSA-N 1 1 460.991 1.882 20 30 JDEDMO C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507630189 1072678586 /nfs/dbraw/zinc/67/85/86/1072678586.db2.gz ZUULLLSZYPCZKT-GOSISDBHSA-N 1 1 460.991 1.882 20 30 JDEDMO C#CCN(c1nnc(-c2cccc(C)n2)n1CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507630843 1072683561 /nfs/dbraw/zinc/68/35/61/1072683561.db2.gz IQMDFKSAVYQGNH-NHCUHLMSSA-N 1 1 486.642 1.776 20 30 JDEDMO C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507632382 1072694936 /nfs/dbraw/zinc/69/49/36/1072694936.db2.gz ZWHKKHBHCIQJCA-HXUWFJFHSA-N 1 1 473.647 1.174 20 30 JDEDMO C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001507633764 1072705281 /nfs/dbraw/zinc/70/52/81/1072705281.db2.gz GXWHOCSQMMLYHD-VQTJNVASSA-N 1 1 492.671 1.107 20 30 JDEDMO C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CC[N@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507634812 1072709329 /nfs/dbraw/zinc/70/93/29/1072709329.db2.gz NLBPEUDYVFOXQC-PZJWPPBQSA-N 1 1 456.616 1.623 20 30 JDEDMO C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[N@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507634810 1072709392 /nfs/dbraw/zinc/70/93/92/1072709392.db2.gz NLBPEUDYVFOXQC-CTNGQTDRSA-N 1 1 456.616 1.623 20 30 JDEDMO C#CCN(c1nnc(Cc2csc(C)n2)n1CC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507635009 1072710474 /nfs/dbraw/zinc/71/04/74/1072710474.db2.gz OWPIZTCSHQHNEZ-QFBILLFUSA-N 1 1 462.645 1.745 20 30 JDEDMO C#CCN(c1nnc(Cc2ccncc2)n1CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001507635314 1072711940 /nfs/dbraw/zinc/71/19/40/1072711940.db2.gz RUWMSZYVCFFAHZ-NRFANRHFSA-N 1 1 467.599 1.876 20 30 JDEDMO C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001507637144 1072716135 /nfs/dbraw/zinc/71/61/35/1072716135.db2.gz IFRCFPJRLMKFAZ-HAGHYFMRSA-N 1 1 465.620 1.113 20 30 JDEDMO C#CCN(c1nnc(COCC)n1CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001507639519 1072727289 /nfs/dbraw/zinc/72/72/89/1072727289.db2.gz YVNMOOQEGNLFCL-QFIPXVFZSA-N 1 1 471.627 1.890 20 30 JDEDMO C#CCN(c1nnc(COCC)n1CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001507639519 1072727307 /nfs/dbraw/zinc/72/73/07/1072727307.db2.gz YVNMOOQEGNLFCL-QFIPXVFZSA-N 1 1 471.627 1.890 20 30 JDEDMO C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[N@H+](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507640057 1072729806 /nfs/dbraw/zinc/72/98/06/1072729806.db2.gz OIQPREOXMNVZRQ-VQTJNVASSA-N 1 1 459.620 1.108 20 30 JDEDMO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001507648762 1072740556 /nfs/dbraw/zinc/74/05/56/1072740556.db2.gz RQKUPXBAUOVGJO-QFIPXVFZSA-N 1 1 473.581 1.622 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001507654020 1072746266 /nfs/dbraw/zinc/74/62/66/1072746266.db2.gz UQJJLCAKYIOGAT-FGZHOGPDSA-N 1 1 488.658 1.481 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCc2ccccc2C1 ZINC001507660319 1072749836 /nfs/dbraw/zinc/74/98/36/1072749836.db2.gz QSLGXDNGUYHTSY-LJQANCHMSA-N 1 1 454.600 1.410 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001507666871 1072753222 /nfs/dbraw/zinc/75/32/22/1072753222.db2.gz HWAXTJDCRLCRTR-KDURUIRLSA-N 1 1 452.559 1.968 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001507669690 1072754571 /nfs/dbraw/zinc/75/45/71/1072754571.db2.gz PNUFNSSORWAKQT-NBGIEHNGSA-N 1 1 470.618 1.922 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001507670929 1072756473 /nfs/dbraw/zinc/75/64/73/1072756473.db2.gz DXASJAFWJNHOGL-HKBOAZHASA-N 1 1 476.647 1.194 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C1CCCCC1 ZINC001507688528 1072760398 /nfs/dbraw/zinc/76/03/98/1072760398.db2.gz CEDLIOQCQQWSJL-LJQANCHMSA-N 1 1 452.625 1.335 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001507690890 1072763147 /nfs/dbraw/zinc/76/31/47/1072763147.db2.gz YKWYFQAHOUAWKG-UGKGYDQZSA-N 1 1 471.627 1.909 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001507690890 1072763155 /nfs/dbraw/zinc/76/31/55/1072763155.db2.gz YKWYFQAHOUAWKG-UGKGYDQZSA-N 1 1 471.627 1.909 20 30 JDEDMO C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001507693374 1072763658 /nfs/dbraw/zinc/76/36/58/1072763658.db2.gz AQXLUPMMUKAZLF-RUZDIDTESA-N 1 1 451.619 1.169 20 30 JDEDMO C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001507693374 1072763684 /nfs/dbraw/zinc/76/36/84/1072763684.db2.gz AQXLUPMMUKAZLF-RUZDIDTESA-N 1 1 451.619 1.169 20 30 JDEDMO C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507707283 1072766670 /nfs/dbraw/zinc/76/66/70/1072766670.db2.gz VLHKHKAYWXLDPO-UHFFFAOYSA-N 1 1 455.519 1.103 20 30 JDEDMO C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001507711270 1072770515 /nfs/dbraw/zinc/77/05/15/1072770515.db2.gz SFWWGVINAUBCFU-JOCHJYFZSA-N 1 1 487.626 1.147 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+](CC)C(C)C)CC1 ZINC001507718348 1072779592 /nfs/dbraw/zinc/77/95/92/1072779592.db2.gz PCVAGTPPECOUEW-UHFFFAOYSA-N 1 1 487.674 1.681 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001507722737 1072790261 /nfs/dbraw/zinc/79/02/61/1072790261.db2.gz GVIWBLZTDCMCFH-OAQYLSRUSA-N 1 1 481.645 1.744 20 30 JDEDMO C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001507727695 1072796430 /nfs/dbraw/zinc/79/64/30/1072796430.db2.gz SGRSOYMQUPTLIY-HXUWFJFHSA-N 1 1 485.658 1.526 20 30 JDEDMO C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001507728130 1072796795 /nfs/dbraw/zinc/79/67/95/1072796795.db2.gz OUPWXSYZEPGPCT-OAQYLSRUSA-N 1 1 484.674 1.332 20 30 JDEDMO C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001507730911 1072799412 /nfs/dbraw/zinc/79/94/12/1072799412.db2.gz YQAUDFJPRVDJET-RTWAWAEBSA-N 1 1 487.649 1.826 20 30 JDEDMO C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001507730910 1072799560 /nfs/dbraw/zinc/79/95/60/1072799560.db2.gz YQAUDFJPRVDJET-NHCUHLMSSA-N 1 1 487.649 1.826 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001507731916 1072801069 /nfs/dbraw/zinc/80/10/69/1072801069.db2.gz DXHMDQMTMRJBNC-QFIPXVFZSA-N 1 1 452.603 1.768 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001507732113 1072801311 /nfs/dbraw/zinc/80/13/11/1072801311.db2.gz IKJPLWLQTXVBCY-QFIPXVFZSA-N 1 1 497.619 1.694 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001507732625 1072801908 /nfs/dbraw/zinc/80/19/08/1072801908.db2.gz QQWYTVKTQKLLGV-DEOSSOPVSA-N 1 1 482.629 1.978 20 30 JDEDMO C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001507732519 1072801948 /nfs/dbraw/zinc/80/19/48/1072801948.db2.gz HOFQLKGUKZQSKQ-DHIUTWEWSA-N 1 1 471.694 1.980 20 30 JDEDMO C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC001507732905 1072802082 /nfs/dbraw/zinc/80/20/82/1072802082.db2.gz VGYUXJXYXSOYFT-QHCPKHFHSA-N 1 1 452.603 1.575 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001507733507 1072802666 /nfs/dbraw/zinc/80/26/66/1072802666.db2.gz BCYUXCOUPIDYAY-KRWDZBQOSA-N 1 1 464.574 1.374 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001507733650 1072802813 /nfs/dbraw/zinc/80/28/13/1072802813.db2.gz HCOXFJFJHQVQGQ-FQEVSTJZSA-N 1 1 471.650 1.894 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC001507733667 1072802905 /nfs/dbraw/zinc/80/29/05/1072802905.db2.gz HOOOFHFKIZDJNZ-LJQANCHMSA-N 1 1 480.617 1.936 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001507734789 1072804280 /nfs/dbraw/zinc/80/42/80/1072804280.db2.gz YFSUVUFEPBSWCA-UHFFFAOYSA-N 1 1 488.640 1.809 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001507734789 1072804281 /nfs/dbraw/zinc/80/42/81/1072804281.db2.gz YFSUVUFEPBSWCA-UHFFFAOYSA-N 1 1 488.640 1.809 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001507734789 1072804282 /nfs/dbraw/zinc/80/42/82/1072804282.db2.gz YFSUVUFEPBSWCA-UHFFFAOYSA-N 1 1 488.640 1.809 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001507735771 1072805991 /nfs/dbraw/zinc/80/59/91/1072805991.db2.gz GWYMACGSGFCMFQ-AZUAARDMSA-N 1 1 493.678 1.119 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001507735772 1072806010 /nfs/dbraw/zinc/80/60/10/1072806010.db2.gz GWYMACGSGFCMFQ-ICSRJNTNSA-N 1 1 493.678 1.119 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001507738795 1072811438 /nfs/dbraw/zinc/81/14/38/1072811438.db2.gz YVFGAQAYOWFDDM-KNQAVFIVSA-N 1 1 477.613 1.716 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001507739333 1072812942 /nfs/dbraw/zinc/81/29/42/1072812942.db2.gz FOHWLKYLAGREAO-UHFFFAOYSA-N 1 1 465.602 1.341 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001507739333 1072812948 /nfs/dbraw/zinc/81/29/48/1072812948.db2.gz FOHWLKYLAGREAO-UHFFFAOYSA-N 1 1 465.602 1.341 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001507739929 1072814837 /nfs/dbraw/zinc/81/48/37/1072814837.db2.gz LXCZVCBQYVRMDJ-JOCHJYFZSA-N 1 1 465.602 1.077 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2cc[nH+]c2C)CC1 ZINC001507740783 1072816817 /nfs/dbraw/zinc/81/68/17/1072816817.db2.gz POHZMKWLZGXCNL-UHFFFAOYSA-N 1 1 463.590 1.701 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001507740952 1072817166 /nfs/dbraw/zinc/81/71/66/1072817166.db2.gz IBQSAJSOPRHGJP-JBACZVJFSA-N 1 1 458.607 1.452 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)CCOC)CC1 ZINC001507741109 1072817643 /nfs/dbraw/zinc/81/76/43/1072817643.db2.gz LJCXENQEQJFBIS-NHCUHLMSSA-N 1 1 474.650 1.741 20 30 JDEDMO C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001507744301 1072820727 /nfs/dbraw/zinc/82/07/27/1072820727.db2.gz QTRPCEQUAAVWNQ-GOSISDBHSA-N 1 1 455.588 1.593 20 30 JDEDMO C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507751074 1072823374 /nfs/dbraw/zinc/82/33/74/1072823374.db2.gz JRRMVEVOFWJLMX-TYPHKJRUSA-N 1 1 460.648 1.527 20 30 JDEDMO C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001507751393 1072823767 /nfs/dbraw/zinc/82/37/67/1072823767.db2.gz NSVUJCVLDBYIQF-HXUWFJFHSA-N 1 1 462.664 1.919 20 30 JDEDMO C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001507751393 1072823769 /nfs/dbraw/zinc/82/37/69/1072823769.db2.gz NSVUJCVLDBYIQF-HXUWFJFHSA-N 1 1 462.664 1.919 20 30 JDEDMO C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001507757300 1072826505 /nfs/dbraw/zinc/82/65/05/1072826505.db2.gz XNGDNDVQSGVXBR-UHFFFAOYSA-N 1 1 467.643 1.765 20 30 JDEDMO C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001507757300 1072826506 /nfs/dbraw/zinc/82/65/06/1072826506.db2.gz XNGDNDVQSGVXBR-UHFFFAOYSA-N 1 1 467.643 1.765 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001507771461 1072828757 /nfs/dbraw/zinc/82/87/57/1072828757.db2.gz AGOOSLYTMYPOEC-WAOWUJCRSA-N 1 1 450.609 1.087 20 30 JDEDMO C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001507781476 1072831669 /nfs/dbraw/zinc/83/16/69/1072831669.db2.gz AAWDBSFLSHUNCJ-QZTJIDSGSA-N 1 1 475.391 1.993 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001507804097 1072839649 /nfs/dbraw/zinc/83/96/49/1072839649.db2.gz IKNVBISVNPODIK-IVDHNXQLSA-N 1 1 482.651 1.026 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001507808925 1072841505 /nfs/dbraw/zinc/84/15/05/1072841505.db2.gz VRGVUCUOCXQAGI-QYZOEREBSA-N 1 1 484.667 1.417 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001507808925 1072841510 /nfs/dbraw/zinc/84/15/10/1072841510.db2.gz VRGVUCUOCXQAGI-QYZOEREBSA-N 1 1 484.667 1.417 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507811573 1072842070 /nfs/dbraw/zinc/84/20/70/1072842070.db2.gz SFMIJKAUQRRVQX-LPOZWGFCSA-N 1 1 460.623 1.785 20 30 JDEDMO C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001507824010 1072843402 /nfs/dbraw/zinc/84/34/02/1072843402.db2.gz ORERYNORTHPXIR-UHFFFAOYSA-N 1 1 452.563 1.636 20 30 JDEDMO C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001507824010 1072843404 /nfs/dbraw/zinc/84/34/04/1072843404.db2.gz ORERYNORTHPXIR-UHFFFAOYSA-N 1 1 452.563 1.636 20 30 JDEDMO C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001507845244 1072848849 /nfs/dbraw/zinc/84/88/49/1072848849.db2.gz YHEVNLSBSVHLCB-PZJWPPBQSA-N 1 1 496.678 1.514 20 30 JDEDMO C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001507846693 1072849323 /nfs/dbraw/zinc/84/93/23/1072849323.db2.gz UJMHBGIRRGQYJI-OAQYLSRUSA-N 1 1 453.591 1.599 20 30 JDEDMO C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507853495 1072850530 /nfs/dbraw/zinc/85/05/30/1072850530.db2.gz GJSATCXRVNGVEX-BEFAXECRSA-N 1 1 466.030 1.938 20 30 JDEDMO C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001507852912 1072850594 /nfs/dbraw/zinc/85/05/94/1072850594.db2.gz FAOROEPNCVFYAJ-MRXNPFEDSA-N 1 1 497.021 1.734 20 30 JDEDMO C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC001507853873 1072850864 /nfs/dbraw/zinc/85/08/64/1072850864.db2.gz GIDCNXXULHRIAT-IRFCIJBXSA-N 1 1 474.631 1.759 20 30 JDEDMO C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001507877584 1072852931 /nfs/dbraw/zinc/85/29/31/1072852931.db2.gz KTQSZJKCYWPNPY-JOCHJYFZSA-N 1 1 460.604 1.418 20 30 JDEDMO C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001507884642 1072853821 /nfs/dbraw/zinc/85/38/21/1072853821.db2.gz KRILKTPGXVECQT-LJQANCHMSA-N 1 1 463.608 1.753 20 30 JDEDMO C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001507901615 1072854913 /nfs/dbraw/zinc/85/49/13/1072854913.db2.gz CFJKPNZRYPMUDK-MOPGFXCFSA-N 1 1 452.625 1.355 20 30 JDEDMO C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001507901617 1072855005 /nfs/dbraw/zinc/85/50/05/1072855005.db2.gz CFJKPNZRYPMUDK-RBUKOAKNSA-N 1 1 452.625 1.355 20 30 JDEDMO C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001507925592 1072857213 /nfs/dbraw/zinc/85/72/13/1072857213.db2.gz ILURGSQZEXXGIO-ZWKOTPCHSA-N 1 1 454.641 1.934 20 30 JDEDMO C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001507935480 1072857888 /nfs/dbraw/zinc/85/78/88/1072857888.db2.gz QINRQBLQHICJHQ-QRVBRYPASA-N 1 1 454.641 1.886 20 30 JDEDMO C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC001507989009 1072864065 /nfs/dbraw/zinc/86/40/65/1072864065.db2.gz VDZMJXRAGSGKTJ-JOCHJYFZSA-N 1 1 460.604 1.417 20 30 JDEDMO C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC001507993188 1072864387 /nfs/dbraw/zinc/86/43/87/1072864387.db2.gz OUNKAMQKSLGASH-FDDCHVKYSA-N 1 1 462.595 1.808 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001508079881 1072879490 /nfs/dbraw/zinc/87/94/90/1072879490.db2.gz GFBRSDBRRCARLC-UHFFFAOYSA-N 1 1 478.557 1.377 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001508080737 1072880207 /nfs/dbraw/zinc/88/02/07/1072880207.db2.gz DSQCXTCQQXYFJQ-BGYRXZFFSA-N 1 1 452.607 1.637 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001508085262 1072882240 /nfs/dbraw/zinc/88/22/40/1072882240.db2.gz FWYPQWRERWBNEK-UHFFFAOYSA-N 1 1 492.628 1.852 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001508085279 1072882336 /nfs/dbraw/zinc/88/23/36/1072882336.db2.gz GMFGMYZBWSZQQC-QFIPXVFZSA-N 1 1 451.619 1.696 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001508085273 1072882345 /nfs/dbraw/zinc/88/23/45/1072882345.db2.gz GJQNPBINIBZFAI-SFHVURJKSA-N 1 1 456.566 2.000 20 30 JDEDMO C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001508090159 1072885875 /nfs/dbraw/zinc/88/58/75/1072885875.db2.gz MAGOBEBGOQVCCF-QHAWAJNXSA-N 1 1 459.639 1.469 20 30 JDEDMO C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001508091575 1072887224 /nfs/dbraw/zinc/88/72/24/1072887224.db2.gz VJBBBJCXKUUMTE-UHFFFAOYSA-N 1 1 457.623 1.618 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001508092395 1072887934 /nfs/dbraw/zinc/88/79/34/1072887934.db2.gz BMAVLTWBEHSQGZ-WIYYLYMNSA-N 1 1 472.565 1.845 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001508092392 1072887958 /nfs/dbraw/zinc/88/79/58/1072887958.db2.gz BMAVLTWBEHSQGZ-NQIIRXRSSA-N 1 1 472.565 1.845 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001508094158 1072889915 /nfs/dbraw/zinc/88/99/15/1072889915.db2.gz ZOMZESRMKZAKQB-HXUWFJFHSA-N 1 1 465.558 1.189 20 30 JDEDMO C=CCNC(=O)Cn1c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001508099477 1072893933 /nfs/dbraw/zinc/89/39/33/1072893933.db2.gz YWBBNCBXVNBYHZ-IBGZPJMESA-N 1 1 456.591 1.440 20 30 JDEDMO C=CCNC(=O)Cn1c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001508099478 1072894063 /nfs/dbraw/zinc/89/40/63/1072894063.db2.gz YWBBNCBXVNBYHZ-LJQANCHMSA-N 1 1 456.591 1.440 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508116695 1072897506 /nfs/dbraw/zinc/89/75/06/1072897506.db2.gz IHCSXMKYQUWQBQ-QUCCMNQESA-N 1 1 454.579 1.459 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001508122920 1072899188 /nfs/dbraw/zinc/89/91/88/1072899188.db2.gz HBFBNVHJOPLORF-PWRODBHTSA-N 1 1 496.678 1.657 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001508136987 1072910952 /nfs/dbraw/zinc/91/09/52/1072910952.db2.gz JVZPWVUXBVRBCW-LJQANCHMSA-N 1 1 475.615 1.713 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001508143560 1072920214 /nfs/dbraw/zinc/92/02/14/1072920214.db2.gz IFXXPONSBOVDGP-KRWDZBQOSA-N 1 1 494.687 1.924 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001508143560 1072920224 /nfs/dbraw/zinc/92/02/24/1072920224.db2.gz IFXXPONSBOVDGP-KRWDZBQOSA-N 1 1 494.687 1.924 20 30 JDEDMO C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001508148324 1072927893 /nfs/dbraw/zinc/92/78/93/1072927893.db2.gz RGXZXJDGFPEQJD-UYAOXDASSA-N 1 1 475.663 1.422 20 30 JDEDMO C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001508160578 1072931606 /nfs/dbraw/zinc/93/16/06/1072931606.db2.gz GYVGJOLIRWYNMV-MSOLQXFVSA-N 1 1 469.677 1.789 20 30 JDEDMO C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001508160578 1072931616 /nfs/dbraw/zinc/93/16/16/1072931616.db2.gz GYVGJOLIRWYNMV-MSOLQXFVSA-N 1 1 469.677 1.789 20 30 JDEDMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001508190210 1072951963 /nfs/dbraw/zinc/95/19/63/1072951963.db2.gz ZFESBPCWEPHWTR-OAQYLSRUSA-N 1 1 451.575 1.844 20 30 JDEDMO CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC001508237120 1073009042 /nfs/dbraw/zinc/00/90/42/1073009042.db2.gz OGBICNXLEYUUDQ-WMZHIEFXSA-N 1 1 492.628 1.816 20 30 JDEDMO CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC001508237122 1073009303 /nfs/dbraw/zinc/00/93/03/1073009303.db2.gz OGBICNXLEYUUDQ-XXBNENTESA-N 1 1 492.628 1.816 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001508273090 1073041249 /nfs/dbraw/zinc/04/12/49/1073041249.db2.gz CATVESCQIWDLFU-OAHLLOKOSA-N 1 1 477.411 1.806 20 30 JDEDMO CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001508274920 1073044967 /nfs/dbraw/zinc/04/49/67/1073044967.db2.gz HTMJVTDGCNLIML-OYRHEFFESA-N 1 1 494.644 1.526 20 30 JDEDMO CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001508274920 1073044980 /nfs/dbraw/zinc/04/49/80/1073044980.db2.gz HTMJVTDGCNLIML-OYRHEFFESA-N 1 1 494.644 1.526 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001508274926 1073045203 /nfs/dbraw/zinc/04/52/03/1073045203.db2.gz HWLINBGEZJWAGS-HSZRJFAPSA-N 1 1 481.601 1.611 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001508274927 1073045764 /nfs/dbraw/zinc/04/57/64/1073045764.db2.gz HWLINBGEZJWAGS-QHCPKHFHSA-N 1 1 481.601 1.611 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)cn3C)nnc2N2CCC(C#N)CC2)CC1 ZINC001508275666 1073046100 /nfs/dbraw/zinc/04/61/00/1073046100.db2.gz KCWAMISLRDFLAC-UHFFFAOYSA-N 1 1 489.422 1.950 20 30 JDEDMO CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001508389836 1073199652 /nfs/dbraw/zinc/19/96/52/1073199652.db2.gz PENHQSTWIJPKMK-DEOSSOPVSA-N 1 1 494.644 1.574 20 30 JDEDMO CC(C)(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001508466789 1073262055 /nfs/dbraw/zinc/26/20/55/1073262055.db2.gz ICDFWBAUKDBQNU-HXUWFJFHSA-N 1 1 478.601 1.585 20 30 JDEDMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001508645892 1073307490 /nfs/dbraw/zinc/30/74/90/1073307490.db2.gz VEOJSUIQXPOZNG-UFYCRDLUSA-N 1 1 489.621 1.926 20 30 JDEDMO CC(C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001508871939 1073431758 /nfs/dbraw/zinc/43/17/58/1073431758.db2.gz HCLNZNBXUFEGJV-YADHBBJMSA-N 1 1 454.575 1.985 20 30 JDEDMO CC(C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC001508871928 1073431986 /nfs/dbraw/zinc/43/19/86/1073431986.db2.gz HCLNZNBXUFEGJV-FCHUYYIVSA-N 1 1 454.575 1.985 20 30 JDEDMO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164870319 721267253 /nfs/dbraw/zinc/26/72/53/721267253.db2.gz VTJXSQWSPATWTP-UHFFFAOYSA-N 1 1 457.000 1.667 20 30 JDEDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)CC2)C1 ZINC001164873805 721289597 /nfs/dbraw/zinc/28/95/97/721289597.db2.gz AYGUCXKQKDIBHZ-SFHVURJKSA-N 1 1 472.590 1.432 20 30 JDEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165002200 722237840 /nfs/dbraw/zinc/23/78/40/722237840.db2.gz QXCFWBCLARWUSH-SFHVURJKSA-N 1 1 472.553 1.557 20 30 JDEDMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001500928666 1069332271 /nfs/dbraw/zinc/33/22/71/1069332271.db2.gz WLIPUZZMMVLYMK-IBGZPJMESA-N 1 1 457.604 1.630 20 30 JDEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001500993475 1069348891 /nfs/dbraw/zinc/34/88/91/1069348891.db2.gz HCVRLBIEQRZGGQ-QRVBRYPASA-N 1 1 467.640 1.471 20 30 JDEDMO CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001501175823 1069431975 /nfs/dbraw/zinc/43/19/75/1069431975.db2.gz JZOFYWCSDZWDQP-LJQANCHMSA-N 1 1 453.547 1.166 20 30 JDEDMO CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001501175823 1069431988 /nfs/dbraw/zinc/43/19/88/1069431988.db2.gz JZOFYWCSDZWDQP-LJQANCHMSA-N 1 1 453.547 1.166 20 30 JDEDMO CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001501175822 1069431774 /nfs/dbraw/zinc/43/17/74/1069431774.db2.gz JZOFYWCSDZWDQP-IBGZPJMESA-N 1 1 453.547 1.166 20 30 JDEDMO CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001501175822 1069431782 /nfs/dbraw/zinc/43/17/82/1069431782.db2.gz JZOFYWCSDZWDQP-IBGZPJMESA-N 1 1 453.547 1.166 20 30 JDEDMO CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001501753124 1069607041 /nfs/dbraw/zinc/60/70/41/1069607041.db2.gz RCBHARRCTGCREB-NRFANRHFSA-N 1 1 451.575 1.986 20 30 JDEDMO CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001501753124 1069607047 /nfs/dbraw/zinc/60/70/47/1069607047.db2.gz RCBHARRCTGCREB-NRFANRHFSA-N 1 1 451.575 1.986 20 30 JDEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 ZINC001501770037 1069626345 /nfs/dbraw/zinc/62/63/45/1069626345.db2.gz NSHPJHDNQARAKF-UHFFFAOYSA-N 1 1 476.589 1.374 20 30 JDEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 ZINC001501770037 1069626378 /nfs/dbraw/zinc/62/63/78/1069626378.db2.gz NSHPJHDNQARAKF-UHFFFAOYSA-N 1 1 476.589 1.374 20 30 JDEDMO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001477661130 1069841879 /nfs/dbraw/zinc/84/18/79/1069841879.db2.gz TUCLBFNVKYROOJ-UYAOXDASSA-N 1 1 457.579 1.652 20 30 JDEDMO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001477661128 1069841974 /nfs/dbraw/zinc/84/19/74/1069841974.db2.gz TUCLBFNVKYROOJ-QUCCMNQESA-N 1 1 457.579 1.652 20 30 JDEDMO CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C#N)C1 ZINC001477661126 1069842076 /nfs/dbraw/zinc/84/20/76/1069842076.db2.gz TUCLBFNVKYROOJ-ICSRJNTNSA-N 1 1 457.579 1.652 20 30 JDEDMO CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C ZINC001502186686 1069848452 /nfs/dbraw/zinc/84/84/52/1069848452.db2.gz PHXLXSAZNSXYNF-IBGZPJMESA-N 1 1 488.662 1.817 20 30 JDEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 ZINC001477787869 1069857059 /nfs/dbraw/zinc/85/70/59/1069857059.db2.gz BXZYEMINJDDLQP-UHFFFAOYSA-N 1 1 452.563 1.111 20 30 JDEDMO CN1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2)CC1 ZINC001477771649 1069855511 /nfs/dbraw/zinc/85/55/11/1069855511.db2.gz IOAQYZMXHXMWKK-NHCUHLMSSA-N 1 1 456.591 1.992 20 30 JDEDMO N#C[C@]12CN(C(=O)NC3CC[NH+](Cc4ccc(Br)cc4)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001478190593 1069921903 /nfs/dbraw/zinc/92/19/03/1069921903.db2.gz WHLXNFNBFZPIOV-OXJNMPFZSA-N 1 1 481.416 1.993 20 30 JDEDMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CCOC)C(=O)C2)C1 ZINC001502279416 1070008248 /nfs/dbraw/zinc/00/82/48/1070008248.db2.gz WFQMINWRIQXSJX-FQEVSTJZSA-N 1 1 467.574 1.366 20 30 JDEDMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001502299061 1070042820 /nfs/dbraw/zinc/04/28/20/1070042820.db2.gz FHFRMHWNPGOPPT-KCZVDYSFSA-N 1 1 482.585 1.963 20 30 JDEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310482 1070074032 /nfs/dbraw/zinc/07/40/32/1070074032.db2.gz AFDYRRSWRKFQAX-NQIIRXRSSA-N 1 1 450.591 1.544 20 30 JDEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502310760 1070075485 /nfs/dbraw/zinc/07/54/85/1070075485.db2.gz FXNKIVRURNDMGD-HXUWFJFHSA-N 1 1 480.617 1.138 20 30 JDEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502311665 1070080750 /nfs/dbraw/zinc/08/07/50/1070080750.db2.gz XGDRTZCUKNBCIB-RBUKOAKNSA-N 1 1 450.591 1.510 20 30 JDEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502311664 1070081278 /nfs/dbraw/zinc/08/12/78/1070081278.db2.gz XGDRTZCUKNBCIB-OALUTQOASA-N 1 1 450.591 1.510 20 30 JDEDMO CC[N@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001502330668 1070165590 /nfs/dbraw/zinc/16/55/90/1070165590.db2.gz AITCNFQXDSHOGU-SFHVURJKSA-N 1 1 453.547 1.118 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502339562 1070218259 /nfs/dbraw/zinc/21/82/59/1070218259.db2.gz AFBNGXLUTYBTJH-HXUWFJFHSA-N 1 1 480.617 1.979 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502340446 1070219440 /nfs/dbraw/zinc/21/94/40/1070219440.db2.gz GLYGTBFGULVMDV-NRFANRHFSA-N 1 1 494.644 1.385 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502340786 1070222396 /nfs/dbraw/zinc/22/23/96/1070222396.db2.gz JGIPDKGJKQLPBU-IBGZPJMESA-N 1 1 450.591 1.369 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502339787 1070218919 /nfs/dbraw/zinc/21/89/19/1070218919.db2.gz BZEVCZBSHNXXMG-DENIHFKCSA-N 1 1 480.617 1.042 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502340885 1070223635 /nfs/dbraw/zinc/22/36/35/1070223635.db2.gz KOOMPUQFJYLQKN-KBMIEXCESA-N 1 1 464.618 1.792 20 30 JDEDMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001502348896 1070264719 /nfs/dbraw/zinc/26/47/19/1070264719.db2.gz GIHVAMXOTFMFLC-UHFFFAOYSA-N 1 1 455.632 1.803 20 30 JDEDMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502349143 1070266403 /nfs/dbraw/zinc/26/64/03/1070266403.db2.gz OAMQNYJHMLISFN-VWLOTQADSA-N 1 1 464.618 1.936 20 30 JDEDMO CC[NH+]1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502355051 1070286587 /nfs/dbraw/zinc/28/65/87/1070286587.db2.gz RTRBAPDQYDJFKN-OAQYLSRUSA-N 1 1 464.618 1.936 20 30 JDEDMO CC[NH+]1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502355390 1070287992 /nfs/dbraw/zinc/28/79/92/1070287992.db2.gz XKSLGWMBJHJMEB-QFIPXVFZSA-N 1 1 464.618 1.807 20 30 JDEDMO CC[NH+]1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502356080 1070290452 /nfs/dbraw/zinc/29/04/52/1070290452.db2.gz IRDAOHUYRCWTGS-UHFFFAOYSA-N 1 1 465.606 1.306 20 30 JDEDMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001493786615 1070344731 /nfs/dbraw/zinc/34/47/31/1070344731.db2.gz XSMNARFEGJDEGW-DYXWJJEUSA-N 1 1 492.694 1.577 20 30 JDEDMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001493785620 1070344775 /nfs/dbraw/zinc/34/47/75/1070344775.db2.gz LQFDEKAHSLAHSG-KZNAEPCWSA-N 1 1 453.613 1.129 20 30 JDEDMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001493786617 1070344842 /nfs/dbraw/zinc/34/48/42/1070344842.db2.gz XSMNARFEGJDEGW-SFHLNBCPSA-N 1 1 492.694 1.577 20 30 JDEDMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001493792683 1070345298 /nfs/dbraw/zinc/34/52/98/1070345298.db2.gz MORNKLSXQXHVFZ-DXIQSLLYSA-N 1 1 497.641 1.565 20 30 JDEDMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001493843242 1070357733 /nfs/dbraw/zinc/35/77/33/1070357733.db2.gz OEVUOETUJAYBLX-KRWDZBQOSA-N 1 1 457.604 1.819 20 30 JDEDMO CC1CC[NH+](CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001494084803 1070387215 /nfs/dbraw/zinc/38/72/15/1070387215.db2.gz FOIWEMJGFVPINO-UHFFFAOYSA-N 1 1 460.604 1.941 20 30 JDEDMO CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001502461402 1070482225 /nfs/dbraw/zinc/48/22/25/1070482225.db2.gz WNNJULWCYPDXGU-UHFFFAOYSA-N 1 1 496.616 1.691 20 30 JDEDMO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001494236748 1070516012 /nfs/dbraw/zinc/51/60/12/1070516012.db2.gz SVMYEDUNWBHVLY-NQIIRXRSSA-N 1 1 451.575 1.842 20 30 JDEDMO CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001502718613 1070826795 /nfs/dbraw/zinc/82/67/95/1070826795.db2.gz RFQCBIYJOUBMTN-XMMPIXPASA-N 1 1 468.606 1.864 20 30 JDEDMO CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CCOC1 ZINC001502728999 1070839046 /nfs/dbraw/zinc/83/90/46/1070839046.db2.gz KRRULSISQFARSV-NFBKMPQASA-N 1 1 458.538 1.930 20 30 JDEDMO CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CC[NH+](CC)CC2)CCOC1 ZINC001502729747 1070840730 /nfs/dbraw/zinc/84/07/30/1070840730.db2.gz SJJPXOKEZQRCFR-NZQKXSOJSA-N 1 1 461.611 1.077 20 30 JDEDMO CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001502729932 1070840744 /nfs/dbraw/zinc/84/07/44/1070840744.db2.gz UCJYMHJDHBXOJF-QPXQOZNCSA-N 1 1 462.595 1.547 20 30 JDEDMO CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001502729932 1070840749 /nfs/dbraw/zinc/84/07/49/1070840749.db2.gz UCJYMHJDHBXOJF-QPXQOZNCSA-N 1 1 462.595 1.547 20 30 JDEDMO CCOCc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001503066060 1071021752 /nfs/dbraw/zinc/02/17/52/1071021752.db2.gz DKRFIWDRMCGJBX-LJQANCHMSA-N 1 1 455.563 1.586 20 30 JDEDMO CCOCc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001503066060 1071021777 /nfs/dbraw/zinc/02/17/77/1071021777.db2.gz DKRFIWDRMCGJBX-LJQANCHMSA-N 1 1 455.563 1.586 20 30 JDEDMO CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503202615 1071146248 /nfs/dbraw/zinc/14/62/48/1071146248.db2.gz OXEFPANAPIGTMH-XMSQKQJNSA-N 1 1 451.575 1.842 20 30 JDEDMO CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1CC ZINC001503218701 1071170311 /nfs/dbraw/zinc/17/03/11/1071170311.db2.gz POBHWMGCDWHDBK-RCZVLFRGSA-N 1 1 467.618 1.820 20 30 JDEDMO CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1CC ZINC001503218701 1071170328 /nfs/dbraw/zinc/17/03/28/1071170328.db2.gz POBHWMGCDWHDBK-RCZVLFRGSA-N 1 1 467.618 1.820 20 30 JDEDMO CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1CC ZINC001503218705 1071170622 /nfs/dbraw/zinc/17/06/22/1071170622.db2.gz POBHWMGCDWHDBK-WIOPSUGQSA-N 1 1 467.618 1.820 20 30 JDEDMO CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1CC ZINC001503218705 1071170643 /nfs/dbraw/zinc/17/06/43/1071170643.db2.gz POBHWMGCDWHDBK-WIOPSUGQSA-N 1 1 467.618 1.820 20 30 JDEDMO CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1CC ZINC001503218703 1071171105 /nfs/dbraw/zinc/17/11/05/1071171105.db2.gz POBHWMGCDWHDBK-RDGATRHJSA-N 1 1 467.618 1.820 20 30 JDEDMO CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1CC ZINC001503218703 1071171124 /nfs/dbraw/zinc/17/11/24/1071171124.db2.gz POBHWMGCDWHDBK-RDGATRHJSA-N 1 1 467.618 1.820 20 30 JDEDMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 ZINC001503221922 1071179430 /nfs/dbraw/zinc/17/94/30/1071179430.db2.gz YAHLQXFEHIHBRL-UHFFFAOYSA-N 1 1 467.574 1.224 20 30 JDEDMO CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001503228051 1071197406 /nfs/dbraw/zinc/19/74/06/1071197406.db2.gz JILDESLHEIOVBG-QHCPKHFHSA-N 1 1 481.601 1.613 20 30 JDEDMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 ZINC001503226515 1071195703 /nfs/dbraw/zinc/19/57/03/1071195703.db2.gz XFBBJEFCSNTIJW-UHFFFAOYSA-N 1 1 464.574 1.978 20 30 JDEDMO COC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504581652 1071406284 /nfs/dbraw/zinc/40/62/84/1071406284.db2.gz SDOSDIYPUOXTDC-FQEVSTJZSA-N 1 1 455.563 1.272 20 30 JDEDMO COC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504586145 1071417849 /nfs/dbraw/zinc/41/78/49/1071417849.db2.gz XVYMUPMEVTXNOE-QFIPXVFZSA-N 1 1 464.574 1.924 20 30 JDEDMO CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001503280302 1071420905 /nfs/dbraw/zinc/42/09/05/1071420905.db2.gz LPUATQMZNARGLG-JOCHJYFZSA-N 1 1 473.603 1.057 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001503360211 1071573022 /nfs/dbraw/zinc/57/30/22/1071573022.db2.gz PFGAVEOJBBRAGT-NTKDMRAZSA-N 1 1 470.622 1.587 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 ZINC001503361203 1071575444 /nfs/dbraw/zinc/57/54/44/1071575444.db2.gz SYEUGIYEZBNUAJ-SBUREZEXSA-N 1 1 483.552 1.310 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2cnccn2)nnc1N1CCC(C)(C#N)CC1 ZINC001503361688 1071578703 /nfs/dbraw/zinc/57/87/03/1071578703.db2.gz XWLCRJAPVKFLCG-LJQANCHMSA-N 1 1 451.579 1.808 20 30 JDEDMO CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503362004 1071579316 /nfs/dbraw/zinc/57/93/16/1071579316.db2.gz LQJJTXZLTYRHSL-NRFANRHFSA-N 1 1 478.601 1.428 20 30 JDEDMO CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001503362005 1071579633 /nfs/dbraw/zinc/57/96/33/1071579633.db2.gz LQJJTXZLTYRHSL-OAQYLSRUSA-N 1 1 478.601 1.428 20 30 JDEDMO CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001503366545 1071593087 /nfs/dbraw/zinc/59/30/87/1071593087.db2.gz BMFXGQNWUCYGPF-UHFFFAOYSA-N 1 1 461.574 1.741 20 30 JDEDMO CN(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001503407371 1071685169 /nfs/dbraw/zinc/68/51/69/1071685169.db2.gz UYVLWWKWJUJQRJ-UHFFFAOYSA-N 1 1 468.587 1.358 20 30 JDEDMO COCCC[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@](F)(C#N)C1 ZINC001504815226 1071687647 /nfs/dbraw/zinc/68/76/47/1071687647.db2.gz REARPNZRTVCYJO-HSZRJFAPSA-N 1 1 468.537 1.602 20 30 JDEDMO COCCC[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 ZINC001504818267 1071699518 /nfs/dbraw/zinc/69/95/18/1071699518.db2.gz DJHSLRISEYNJDN-QHCPKHFHSA-N 1 1 471.585 1.862 20 30 JDEDMO CN(c1nnc(-c2cccc(C#N)c2)n1CCC[NH+]1CCOCC1)C1CCN(S(C)(=O)=O)CC1 ZINC001503416733 1071704995 /nfs/dbraw/zinc/70/49/95/1071704995.db2.gz WYMUTYAKWWGQOH-UHFFFAOYSA-N 1 1 487.630 1.399 20 30 JDEDMO COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001504830577 1071713925 /nfs/dbraw/zinc/71/39/25/1071713925.db2.gz ZJVGPBJMDNPOAQ-OAQYLSRUSA-N 1 1 467.574 1.508 20 30 JDEDMO COCC[N@@H+](C)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001504851026 1071749479 /nfs/dbraw/zinc/74/94/79/1071749479.db2.gz MRWWJEIYKPCKRB-FDDCHVKYSA-N 1 1 495.600 1.997 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001504852128 1071753677 /nfs/dbraw/zinc/75/36/77/1071753677.db2.gz NIKBWZSVVOANFT-UHFFFAOYSA-N 1 1 498.607 1.820 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001504853585 1071758843 /nfs/dbraw/zinc/75/88/43/1071758843.db2.gz GNQXOSMOIJQXHL-SFHVURJKSA-N 1 1 479.507 1.900 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504855508 1071766135 /nfs/dbraw/zinc/76/61/35/1071766135.db2.gz RAAHKRILNINKDL-OAQYLSRUSA-N 1 1 494.644 1.528 20 30 JDEDMO COCC[N@@H+](C)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001504859102 1071785830 /nfs/dbraw/zinc/78/58/30/1071785830.db2.gz SGBNVIKGJGMUIJ-LJQANCHMSA-N 1 1 467.622 1.966 20 30 JDEDMO CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001503479034 1071800054 /nfs/dbraw/zinc/80/00/54/1071800054.db2.gz SWDRBCRRBVJENH-UHFFFAOYSA-N 1 1 464.618 1.935 20 30 JDEDMO CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503479034 1071800056 /nfs/dbraw/zinc/80/00/56/1071800056.db2.gz SWDRBCRRBVJENH-UHFFFAOYSA-N 1 1 464.618 1.935 20 30 JDEDMO CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503479034 1071800061 /nfs/dbraw/zinc/80/00/61/1071800061.db2.gz SWDRBCRRBVJENH-UHFFFAOYSA-N 1 1 464.618 1.935 20 30 JDEDMO COCCN(CCC#N)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001504887180 1071810792 /nfs/dbraw/zinc/81/07/92/1071810792.db2.gz OCSTUEXSYCGYCX-IEGUWTFLSA-N 1 1 477.610 1.482 20 30 JDEDMO COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001504913964 1071873686 /nfs/dbraw/zinc/87/36/86/1071873686.db2.gz OZMZNHJUWCIEKK-BGYRXZFFSA-N 1 1 481.601 1.611 20 30 JDEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 ZINC001503619831 1071910139 /nfs/dbraw/zinc/91/01/39/1071910139.db2.gz WISFLIYNOQHDKJ-UHFFFAOYSA-N 1 1 481.601 1.646 20 30 JDEDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 ZINC001503619831 1071910149 /nfs/dbraw/zinc/91/01/49/1071910149.db2.gz WISFLIYNOQHDKJ-UHFFFAOYSA-N 1 1 481.601 1.646 20 30 JDEDMO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001503635865 1071948461 /nfs/dbraw/zinc/94/84/61/1071948461.db2.gz QBAVNLKSIVRCKQ-UHFFFAOYSA-N 1 1 459.620 1.324 20 30 JDEDMO COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001504936204 1071961491 /nfs/dbraw/zinc/96/14/91/1071961491.db2.gz QFTFNNDBLBENOJ-UHFFFAOYSA-N 1 1 495.628 1.907 20 30 JDEDMO COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001504936204 1071961501 /nfs/dbraw/zinc/96/15/01/1071961501.db2.gz QFTFNNDBLBENOJ-UHFFFAOYSA-N 1 1 495.628 1.907 20 30 JDEDMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001503677246 1072010591 /nfs/dbraw/zinc/01/05/91/1072010591.db2.gz GADSXDBHOIQFOZ-UWJYYQICSA-N 1 1 477.491 1.388 20 30 JDEDMO COCCO[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001504983093 1072032583 /nfs/dbraw/zinc/03/25/83/1072032583.db2.gz JFWIUAKEACZPMP-CPJSRVTESA-N 1 1 483.617 1.657 20 30 JDEDMO CNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001503697152 1072038171 /nfs/dbraw/zinc/03/81/71/1072038171.db2.gz ZUIALEDEYIYQNB-HXUWFJFHSA-N 1 1 451.575 1.748 20 30 JDEDMO CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001505143300 1072360115 /nfs/dbraw/zinc/36/01/15/1072360115.db2.gz MTBVZSNZASNNJG-HXUWFJFHSA-N 1 1 469.615 1.844 20 30 JDEDMO CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001505143299 1072360145 /nfs/dbraw/zinc/36/01/45/1072360145.db2.gz MTBVZSNZASNNJG-FQEVSTJZSA-N 1 1 469.615 1.844 20 30 JDEDMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)oc1C ZINC001464838144 1067669768 /nfs/dbraw/zinc/66/97/68/1067669768.db2.gz MSLUTBSCGQPVJI-INIZCTEOSA-N 1 1 459.572 1.858 20 30 JDEDMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 ZINC001464887898 1067684919 /nfs/dbraw/zinc/68/49/19/1067684919.db2.gz AQFUETCJCNJQIL-NRFANRHFSA-N 1 1 455.559 1.673 20 30 JDEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)CC1 ZINC001464907684 1067697068 /nfs/dbraw/zinc/69/70/68/1067697068.db2.gz KMWFFVMUAJFLDH-UHFFFAOYSA-N 1 1 450.337 1.211 20 30 JDEDMO O=C(NCCNC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1N=CC=CC1=O ZINC001468616183 1068325846 /nfs/dbraw/zinc/32/58/46/1068325846.db2.gz YWEMAJUZDHQIPB-UTTYWZDOSA-N 1 1 452.559 1.115 20 30 JDEDMO C#CC[N@H+](C)CCCNC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC001468947972 1068401063 /nfs/dbraw/zinc/40/10/63/1068401063.db2.gz YCMGHKKCOFRARX-UHFFFAOYSA-N 1 1 452.577 1.111 20 30 JDEDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC001469098677 1068441089 /nfs/dbraw/zinc/44/10/89/1068441089.db2.gz IBKBCXPHYCHANS-JMUQELJHSA-N 1 1 470.595 1.878 20 30 JDEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC001470353508 1068752253 /nfs/dbraw/zinc/75/22/53/1068752253.db2.gz OHIZXOPUWOGINR-UHFFFAOYSA-N 1 1 457.394 1.420 20 30 JDEDMO N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001471409634 1068863445 /nfs/dbraw/zinc/86/34/45/1068863445.db2.gz KTHUSRBDEVTFPD-UHFFFAOYSA-N 1 1 457.510 1.146 20 30 JDEDMO N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001471409634 1068863449 /nfs/dbraw/zinc/86/34/49/1068863449.db2.gz KTHUSRBDEVTFPD-UHFFFAOYSA-N 1 1 457.510 1.146 20 30 JDEDMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001499328861 1068983802 /nfs/dbraw/zinc/98/38/02/1068983802.db2.gz KRODUHKMMHFQQE-HXUWFJFHSA-N 1 1 467.574 1.554 20 30 JDEDMO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001499328860 1068984089 /nfs/dbraw/zinc/98/40/89/1068984089.db2.gz KRODUHKMMHFQQE-FQEVSTJZSA-N 1 1 467.574 1.554 20 30 JDEDMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1CCOC ZINC001499650939 1069026955 /nfs/dbraw/zinc/02/69/55/1069026955.db2.gz GGYPJAOUVHBUNX-NHKNDPDJSA-N 1 1 459.595 1.649 20 30 JDEDMO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](C)CCOC)C[C@@H]1N1CCOCC1 ZINC001499682266 1069041744 /nfs/dbraw/zinc/04/17/44/1069041744.db2.gz YFEDXAKXSQASRW-GMAHTHKFSA-N 1 1 467.618 1.942 20 30 JDEDMO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001499697058 1069044459 /nfs/dbraw/zinc/04/44/59/1069044459.db2.gz MMCWAUONHOKRSS-FPOVZHCZSA-N 1 1 451.575 1.888 20 30 JDEDMO CC[C@H](C)[C@H](NC(=O)Cn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2)C(=O)OC ZINC001473061847 1069067765 /nfs/dbraw/zinc/06/77/65/1069067765.db2.gz BQQXKNMNKQDDPR-SBUREZEXSA-N 1 1 450.539 1.982 20 30 JDEDMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cn1 ZINC001473702641 1069211459 /nfs/dbraw/zinc/21/14/59/1069211459.db2.gz LUAGFJMWZAYJCF-MOPGFXCFSA-N 1 1 455.588 1.085 20 30 JDEDMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cn1 ZINC001473702641 1069211478 /nfs/dbraw/zinc/21/14/78/1069211478.db2.gz LUAGFJMWZAYJCF-MOPGFXCFSA-N 1 1 455.588 1.085 20 30 JDEDMO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC001473743693 1069218668 /nfs/dbraw/zinc/21/86/68/1069218668.db2.gz JZVYXMOQQSJLST-XCJLJZCSSA-N 1 1 472.542 1.812 20 30 JDEDMO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001500248787 1069221614 /nfs/dbraw/zinc/22/16/14/1069221614.db2.gz CRFBFJFICGJQFZ-XUZZJYLKSA-N 1 1 454.575 1.905 20 30 JDEDMO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001500248825 1069221753 /nfs/dbraw/zinc/22/17/53/1069221753.db2.gz DGCYVRVMPUGJQW-JOCHJYFZSA-N 1 1 451.575 1.986 20 30 JDEDMO CCCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001500410456 1069245954 /nfs/dbraw/zinc/24/59/54/1069245954.db2.gz HEIOEFAYYIYXMT-UHFFFAOYSA-N 1 1 480.617 1.722 20 30 JDEDMO CCCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001500412200 1069246438 /nfs/dbraw/zinc/24/64/38/1069246438.db2.gz NPHAJTUZJRHDKI-UHFFFAOYSA-N 1 1 494.644 1.529 20 30 JDEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001500532276 1069259417 /nfs/dbraw/zinc/25/94/17/1069259417.db2.gz PWUVCHZUHUQDPI-TYPHKJRUSA-N 1 1 492.694 1.719 20 30 JDEDMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC001505286852 1072466375 /nfs/dbraw/zinc/46/63/75/1072466375.db2.gz FNXVYJLOHZZMEF-CALCHBBNSA-N 1 1 464.530 1.984 20 30 JDEDMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC001505286852 1072466380 /nfs/dbraw/zinc/46/63/80/1072466380.db2.gz FNXVYJLOHZZMEF-CALCHBBNSA-N 1 1 464.530 1.984 20 30 JDEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C ZINC001505287906 1072469043 /nfs/dbraw/zinc/46/90/43/1072469043.db2.gz QPEHPHITTJCNNL-IBGZPJMESA-N 1 1 481.601 1.897 20 30 JDEDMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC001505289884 1072474479 /nfs/dbraw/zinc/47/44/79/1072474479.db2.gz IRIVZFZKWJFOAM-KDURUIRLSA-N 1 1 487.630 1.398 20 30 JDEDMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC001505289884 1072474487 /nfs/dbraw/zinc/47/44/87/1072474487.db2.gz IRIVZFZKWJFOAM-KDURUIRLSA-N 1 1 487.630 1.398 20 30 JDEDMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC001505290568 1072476594 /nfs/dbraw/zinc/47/65/94/1072476594.db2.gz ZEZDUTMRMWUUQJ-KDURUIRLSA-N 1 1 487.630 1.398 20 30 JDEDMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC001505290568 1072476605 /nfs/dbraw/zinc/47/66/05/1072476605.db2.gz ZEZDUTMRMWUUQJ-KDURUIRLSA-N 1 1 487.630 1.398 20 30 JDEDMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)O1 ZINC001505290480 1072476936 /nfs/dbraw/zinc/47/69/36/1072476936.db2.gz WBDDWMXHHZDXCS-QKLQHJQFSA-N 1 1 480.573 1.350 20 30 JDEDMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)O1 ZINC001505290480 1072476943 /nfs/dbraw/zinc/47/69/43/1072476943.db2.gz WBDDWMXHHZDXCS-QKLQHJQFSA-N 1 1 480.573 1.350 20 30 JDEDMO N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001505313717 1072480133 /nfs/dbraw/zinc/48/01/33/1072480133.db2.gz DYWIHGYCTSFYLI-LEWJYISDSA-N 1 1 451.575 1.755 20 30 JDEDMO N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001505321601 1072487304 /nfs/dbraw/zinc/48/73/04/1072487304.db2.gz UCWZFDQQSMTHFC-SFHVURJKSA-N 1 1 457.604 1.856 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001507522896 1072596242 /nfs/dbraw/zinc/59/62/42/1072596242.db2.gz YSQRNAHHGFUREH-QUCCMNQESA-N 1 1 474.631 1.500 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001507539226 1072603658 /nfs/dbraw/zinc/60/36/58/1072603658.db2.gz SNEPNTYDUDAHFZ-RXVVDRJESA-N 1 1 457.600 1.519 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001507549837 1072610970 /nfs/dbraw/zinc/61/09/70/1072610970.db2.gz QJIXSISNGBWUJR-CLJLJLNGSA-N 1 1 496.612 1.442 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001507549838 1072611062 /nfs/dbraw/zinc/61/10/62/1072611062.db2.gz QJIXSISNGBWUJR-FTJBHMTQSA-N 1 1 496.612 1.442 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001507550288 1072611771 /nfs/dbraw/zinc/61/17/71/1072611771.db2.gz WJNUSMLUXAQNBM-UHFFFAOYSA-N 1 1 474.569 1.902 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001507550288 1072611786 /nfs/dbraw/zinc/61/17/86/1072611786.db2.gz WJNUSMLUXAQNBM-UHFFFAOYSA-N 1 1 474.569 1.902 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)c1 ZINC001507550642 1072612986 /nfs/dbraw/zinc/61/29/86/1072612986.db2.gz NSWBOJXEMNWPSI-IBGZPJMESA-N 1 1 470.599 1.332 20 30 JDEDMO C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001507553985 1072615957 /nfs/dbraw/zinc/61/59/57/1072615957.db2.gz KDLOYZFOVKDZFX-JOCHJYFZSA-N 1 1 494.644 1.960 20 30 JDEDMO C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001507557114 1072618838 /nfs/dbraw/zinc/61/88/38/1072618838.db2.gz OHIDLCRHGNGMMU-SFHVURJKSA-N 1 1 462.624 1.138 20 30 JDEDMO C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001507564326 1072622795 /nfs/dbraw/zinc/62/27/95/1072622795.db2.gz PHZZRYXLVLRVFF-VXKWHMMOSA-N 1 1 492.690 1.215 20 30 JDEDMO C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[NH+](CCOCC)CC1 ZINC001507583046 1072631199 /nfs/dbraw/zinc/63/11/99/1072631199.db2.gz MQJMTMYSPHRYEE-UHFFFAOYSA-N 1 1 459.620 1.810 20 30 JDEDMO C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001507587777 1072632577 /nfs/dbraw/zinc/63/25/77/1072632577.db2.gz AIVTYXBLRXWXFB-IRLDBZIGSA-N 1 1 486.642 1.735 20 30 JDEDMO C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC001507591604 1072635520 /nfs/dbraw/zinc/63/55/20/1072635520.db2.gz MAPXETYKWNWOCP-CTNGQTDRSA-N 1 1 452.559 1.205 20 30 JDEDMO C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CC[NH+](CC)CC1 ZINC001507606497 1072638372 /nfs/dbraw/zinc/63/83/72/1072638372.db2.gz OASOXYGKMLKTAV-UHFFFAOYSA-N 1 1 458.632 1.836 20 30 JDEDMO C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001507606542 1072638434 /nfs/dbraw/zinc/63/84/34/1072638434.db2.gz PIBNQZZUSOMDES-UHFFFAOYSA-N 1 1 487.674 1.538 20 30 JDEDMO C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CC[NH+](CC)CC1 ZINC001507613214 1072639407 /nfs/dbraw/zinc/63/94/07/1072639407.db2.gz WUNCWHDVDIDWCQ-UHFFFAOYSA-N 1 1 458.636 1.335 20 30 JDEDMO C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001507611930 1072639605 /nfs/dbraw/zinc/63/96/05/1072639605.db2.gz QHZCVOWLTSZIMW-GOSISDBHSA-N 1 1 459.620 1.545 20 30 JDEDMO C#CCN(c1nnc(C(=O)NC(C)C)n1CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001507622106 1072645620 /nfs/dbraw/zinc/64/56/20/1072645620.db2.gz FZUVJMFGBYZRQZ-QFIPXVFZSA-N 1 1 498.653 1.491 20 30 JDEDMO C#CCN(c1nnc(C(=O)NC(C)C)n1CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001507622106 1072645636 /nfs/dbraw/zinc/64/56/36/1072645636.db2.gz FZUVJMFGBYZRQZ-QFIPXVFZSA-N 1 1 498.653 1.491 20 30 JDEDMO C#CCN(c1nnc(C(=O)NC(C)C)n1CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507622104 1072645799 /nfs/dbraw/zinc/64/57/99/1072645799.db2.gz FZUVJMFGBYZRQZ-JOCHJYFZSA-N 1 1 498.653 1.491 20 30 JDEDMO C#CCN(c1nnc(C(=O)NC(C)C)n1CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507622104 1072645807 /nfs/dbraw/zinc/64/58/07/1072645807.db2.gz FZUVJMFGBYZRQZ-JOCHJYFZSA-N 1 1 498.653 1.491 20 30 JDEDMO C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507622626 1072648112 /nfs/dbraw/zinc/64/81/12/1072648112.db2.gz JXWSDZKQZLRCSB-VQTJNVASSA-N 1 1 490.674 1.651 20 30 JDEDMO C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCC[N@@H+]1CCC)[C@H]1CCS(=O)(=O)C1 ZINC001507625812 1072658990 /nfs/dbraw/zinc/65/89/90/1072658990.db2.gz LGEMJXRESCTSGG-HFMPRLQTSA-N 1 1 493.674 1.821 20 30 JDEDMO C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCC[N@@H+]1CCC)[C@@H]1CCS(=O)(=O)C1 ZINC001507625816 1072659068 /nfs/dbraw/zinc/65/90/68/1072659068.db2.gz LGEMJXRESCTSGG-LGVFNWMJSA-N 1 1 493.674 1.821 20 30 JDEDMO C#CCN(c1nnc(C)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC001507625931 1072660125 /nfs/dbraw/zinc/66/01/25/1072660125.db2.gz LRJMYQIIWWPFMS-FGZHOGPDSA-N 1 1 457.600 1.218 20 30 JDEDMO C#CCN(c1nnc(-c2cccc3cccnc32)n1CC[N@@H+](C)CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001507630326 1072678620 /nfs/dbraw/zinc/67/86/20/1072678620.db2.gz WYRODLOIBZAZIT-FQEVSTJZSA-N 1 1 482.610 1.698 20 30 JDEDMO C#CCN(c1nnc(-c2cccc3cccnc32)n1CC[N@H+](C)CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001507630326 1072678627 /nfs/dbraw/zinc/67/86/27/1072678627.db2.gz WYRODLOIBZAZIT-FQEVSTJZSA-N 1 1 482.610 1.698 20 30 JDEDMO C#CCN(c1nnc(-c2cccc3cccnc32)n1CC[N@@H+](C)CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001507630327 1072679234 /nfs/dbraw/zinc/67/92/34/1072679234.db2.gz WYRODLOIBZAZIT-HXUWFJFHSA-N 1 1 482.610 1.698 20 30 JDEDMO C#CCN(c1nnc(-c2cccc3cccnc32)n1CC[N@H+](C)CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001507630327 1072679253 /nfs/dbraw/zinc/67/92/53/1072679253.db2.gz WYRODLOIBZAZIT-HXUWFJFHSA-N 1 1 482.610 1.698 20 30 JDEDMO C#CCN(c1nnc(-c2cccc(C)n2)n1CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507630844 1072683376 /nfs/dbraw/zinc/68/33/76/1072683376.db2.gz IQMDFKSAVYQGNH-RTWAWAEBSA-N 1 1 486.642 1.776 20 30 JDEDMO C#CCN(c1nnc(Cc2ccccc2OC)n1CC[N@H+]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507633145 1072701175 /nfs/dbraw/zinc/70/11/75/1072701175.db2.gz BRZGDLHPZFMDKV-TZIWHRDSSA-N 1 1 471.627 1.989 20 30 JDEDMO C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001507637145 1072716361 /nfs/dbraw/zinc/71/63/61/1072716361.db2.gz IFRCFPJRLMKFAZ-MUGJNUQGSA-N 1 1 465.620 1.113 20 30 JDEDMO C#CCN(c1nnc(CN2CCCC2=O)n1CC[N@H+](C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507639977 1072728980 /nfs/dbraw/zinc/72/89/80/1072728980.db2.gz NROGIIFYTKGINY-FQEVSTJZSA-N 1 1 476.647 1.292 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001507642074 1072735275 /nfs/dbraw/zinc/73/52/75/1072735275.db2.gz GMEADXZDPMNECJ-WOJBJXKFSA-N 1 1 484.626 1.230 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001507642074 1072735300 /nfs/dbraw/zinc/73/53/00/1072735300.db2.gz GMEADXZDPMNECJ-WOJBJXKFSA-N 1 1 484.626 1.230 20 30 JDEDMO C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507645761 1072739369 /nfs/dbraw/zinc/73/93/69/1072739369.db2.gz KKGVEOWJRMQJGN-UHFFFAOYSA-N 1 1 464.570 1.589 20 30 JDEDMO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001507648761 1072740301 /nfs/dbraw/zinc/74/03/01/1072740301.db2.gz RQKUPXBAUOVGJO-JOCHJYFZSA-N 1 1 473.581 1.622 20 30 JDEDMO C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001507652335 1072741873 /nfs/dbraw/zinc/74/18/73/1072741873.db2.gz ZYFFBSLHWYYATK-UHFFFAOYSA-N 1 1 454.582 1.944 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001507653846 1072745576 /nfs/dbraw/zinc/74/55/76/1072745576.db2.gz RTADQFXIDROOFT-JOCHJYFZSA-N 1 1 451.596 1.701 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001507653846 1072745593 /nfs/dbraw/zinc/74/55/93/1072745593.db2.gz RTADQFXIDROOFT-JOCHJYFZSA-N 1 1 451.596 1.701 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001507654023 1072746369 /nfs/dbraw/zinc/74/63/69/1072746369.db2.gz UQJJLCAKYIOGAT-VXKWHMMOSA-N 1 1 488.658 1.481 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001507661848 1072751442 /nfs/dbraw/zinc/75/14/42/1072751442.db2.gz KVLXSNONROWULW-XMMPIXPASA-N 1 1 453.543 1.500 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001507669691 1072754672 /nfs/dbraw/zinc/75/46/72/1072754672.db2.gz PNUFNSSORWAKQT-NLFFAJNJSA-N 1 1 470.618 1.922 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001507670135 1072755066 /nfs/dbraw/zinc/75/50/66/1072755066.db2.gz YANLCODOAAMJCJ-RPWUZVMVSA-N 1 1 495.649 1.648 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001507670133 1072755243 /nfs/dbraw/zinc/75/52/43/1072755243.db2.gz YANLCODOAAMJCJ-BJKOFHAPSA-N 1 1 495.649 1.648 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001507670926 1072756236 /nfs/dbraw/zinc/75/62/36/1072756236.db2.gz DXASJAFWJNHOGL-HBMCJLEFSA-N 1 1 476.647 1.194 20 30 JDEDMO C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001507679884 1072759164 /nfs/dbraw/zinc/75/91/64/1072759164.db2.gz SRBNSHCWHCCQEE-MOPGFXCFSA-N 1 1 474.631 1.617 20 30 JDEDMO C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001507679884 1072759179 /nfs/dbraw/zinc/75/91/79/1072759179.db2.gz SRBNSHCWHCCQEE-MOPGFXCFSA-N 1 1 474.631 1.617 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001507688488 1072760144 /nfs/dbraw/zinc/76/01/44/1072760144.db2.gz BMJDVZYEJWBTAB-WOJBJXKFSA-N 1 1 466.652 1.439 20 30 JDEDMO C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001507694506 1072763613 /nfs/dbraw/zinc/76/36/13/1072763613.db2.gz NCJCAJBYTYVSLC-UHFFFAOYSA-N 1 1 450.591 1.467 20 30 JDEDMO C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001507705731 1072766865 /nfs/dbraw/zinc/76/68/65/1072766865.db2.gz GGBUOVXEKXKSGW-HXUWFJFHSA-N 1 1 466.355 1.999 20 30 JDEDMO C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001507716406 1072775137 /nfs/dbraw/zinc/77/51/37/1072775137.db2.gz QNTKRZNJHHFXNA-BGYRXZFFSA-N 1 1 459.639 1.451 20 30 JDEDMO C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001507716745 1072775984 /nfs/dbraw/zinc/77/59/84/1072775984.db2.gz UFPNOGFLFXWILH-FQEVSTJZSA-N 1 1 450.591 1.801 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001507718017 1072778584 /nfs/dbraw/zinc/77/85/84/1072778584.db2.gz KVUYYEQIZKMAHL-HXUWFJFHSA-N 1 1 485.658 1.292 20 30 JDEDMO C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001507719280 1072781922 /nfs/dbraw/zinc/78/19/22/1072781922.db2.gz MPLCGGPCANXIRP-RUZDIDTESA-N 1 1 473.666 1.102 20 30 JDEDMO C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001507720160 1072783027 /nfs/dbraw/zinc/78/30/27/1072783027.db2.gz SGQSFYGDIUFPEV-URXFXBBRSA-N 1 1 460.623 1.042 20 30 JDEDMO C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001507724747 1072792923 /nfs/dbraw/zinc/79/29/23/1072792923.db2.gz WOQFHBXBRSLENL-UHFFFAOYSA-N 1 1 465.646 1.660 20 30 JDEDMO C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001507731186 1072800122 /nfs/dbraw/zinc/80/01/22/1072800122.db2.gz CNOBMDLMKJMMDJ-HBMCJLEFSA-N 1 1 462.664 1.303 20 30 JDEDMO C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001507731440 1072800475 /nfs/dbraw/zinc/80/04/75/1072800475.db2.gz IRRIKQKFQGQPNU-QHAWAJNXSA-N 1 1 476.691 1.692 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001507731721 1072801083 /nfs/dbraw/zinc/80/10/83/1072801083.db2.gz BBGDTTDLOONHNY-FQEVSTJZSA-N 1 1 456.566 1.720 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001507732110 1072801211 /nfs/dbraw/zinc/80/12/11/1072801211.db2.gz IKJPLWLQTXVBCY-JOCHJYFZSA-N 1 1 497.619 1.694 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001507732593 1072801921 /nfs/dbraw/zinc/80/19/21/1072801921.db2.gz PYGCFXJLXYBTPU-SANMLTNESA-N 1 1 466.630 1.976 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001507733651 1072802890 /nfs/dbraw/zinc/80/28/90/1072802890.db2.gz HCOXFJFJHQVQGQ-HXUWFJFHSA-N 1 1 471.650 1.894 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001507735527 1072805297 /nfs/dbraw/zinc/80/52/97/1072805297.db2.gz XNVDJUDHFLNUSA-AREMUKBSSA-N 1 1 496.612 1.385 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001507736129 1072806663 /nfs/dbraw/zinc/80/66/63/1072806663.db2.gz FACMAEBNTAGTRY-UHFFFAOYSA-N 1 1 464.618 1.334 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001507737603 1072808903 /nfs/dbraw/zinc/80/89/03/1072808903.db2.gz CNVWMJRUINUFSX-UHFFFAOYSA-N 1 1 450.591 1.965 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001507738016 1072809929 /nfs/dbraw/zinc/80/99/29/1072809929.db2.gz FRUDHZRHZONHTK-RBBKRZOGSA-N 1 1 472.634 1.986 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001507740396 1072815720 /nfs/dbraw/zinc/81/57/20/1072815720.db2.gz SEQIDZGOPIJUJD-UHFFFAOYSA-N 1 1 478.645 1.257 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001507740412 1072815827 /nfs/dbraw/zinc/81/58/27/1072815827.db2.gz SQMZIQHSTNVKSO-HSZRJFAPSA-N 1 1 479.629 1.587 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001507740413 1072816247 /nfs/dbraw/zinc/81/62/47/1072816247.db2.gz SQMZIQHSTNVKSO-QHCPKHFHSA-N 1 1 479.629 1.587 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001507740951 1072817182 /nfs/dbraw/zinc/81/71/82/1072817182.db2.gz IBQSAJSOPRHGJP-GIVPXCGWSA-N 1 1 458.607 1.452 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001507740868 1072817221 /nfs/dbraw/zinc/81/72/21/1072817221.db2.gz GRUAYPPJOATPEL-FHAGJXEFSA-N 1 1 472.634 1.229 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001507741115 1072817753 /nfs/dbraw/zinc/81/77/53/1072817753.db2.gz UZKYGDQAMUUJAM-IBGZPJMESA-N 1 1 482.633 1.074 20 30 JDEDMO C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001507741435 1072818705 /nfs/dbraw/zinc/81/87/05/1072818705.db2.gz SPXAMOWVEBNSGL-UHFFFAOYSA-N 1 1 473.647 1.015 20 30 JDEDMO C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001507741435 1072818710 /nfs/dbraw/zinc/81/87/10/1072818710.db2.gz SPXAMOWVEBNSGL-UHFFFAOYSA-N 1 1 473.647 1.015 20 30 JDEDMO C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507741421 1072818747 /nfs/dbraw/zinc/81/87/47/1072818747.db2.gz SFOSEUUPQIKEPZ-FPOVZHCZSA-N 1 1 487.674 1.259 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001507742814 1072820303 /nfs/dbraw/zinc/82/03/03/1072820303.db2.gz QORMQXGBPNGHHW-XMMPIXPASA-N 1 1 474.675 1.650 20 30 JDEDMO C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001507752284 1072825355 /nfs/dbraw/zinc/82/53/55/1072825355.db2.gz VVDHETXRPKPFHB-UHFFFAOYSA-N 1 1 460.604 1.919 20 30 JDEDMO C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001507752284 1072825357 /nfs/dbraw/zinc/82/53/57/1072825357.db2.gz VVDHETXRPKPFHB-UHFFFAOYSA-N 1 1 460.604 1.919 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001507771455 1072828576 /nfs/dbraw/zinc/82/85/76/1072828576.db2.gz AGOOSLYTMYPOEC-BBTUJRGHSA-N 1 1 450.609 1.087 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001507772186 1072829230 /nfs/dbraw/zinc/82/92/30/1072829230.db2.gz IHYIJARHHICQOK-YCRNBWNJSA-N 1 1 476.647 1.115 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001507772186 1072829235 /nfs/dbraw/zinc/82/92/35/1072829235.db2.gz IHYIJARHHICQOK-YCRNBWNJSA-N 1 1 476.647 1.115 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001507772184 1072829251 /nfs/dbraw/zinc/82/92/51/1072829251.db2.gz IHYIJARHHICQOK-SFYKDHMMSA-N 1 1 476.647 1.115 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001507772184 1072829253 /nfs/dbraw/zinc/82/92/53/1072829253.db2.gz IHYIJARHHICQOK-SFYKDHMMSA-N 1 1 476.647 1.115 20 30 JDEDMO C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001507775457 1072830742 /nfs/dbraw/zinc/83/07/42/1072830742.db2.gz NMNSOYJDFPZHRE-ZBFHGGJFSA-N 1 1 476.379 1.991 20 30 JDEDMO C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001507778836 1072831459 /nfs/dbraw/zinc/83/14/59/1072831459.db2.gz VNDLUVHHORJUKX-INIZCTEOSA-N 1 1 482.404 1.778 20 30 JDEDMO C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001507778836 1072831464 /nfs/dbraw/zinc/83/14/64/1072831464.db2.gz VNDLUVHHORJUKX-INIZCTEOSA-N 1 1 482.404 1.778 20 30 JDEDMO C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001507781699 1072832056 /nfs/dbraw/zinc/83/20/56/1072832056.db2.gz GKVBFGOVIBMOAZ-MRXNPFEDSA-N 1 1 480.411 1.272 20 30 JDEDMO C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001507781699 1072832058 /nfs/dbraw/zinc/83/20/58/1072832058.db2.gz GKVBFGOVIBMOAZ-MRXNPFEDSA-N 1 1 480.411 1.272 20 30 JDEDMO C=C(Br)Cn1c(N2CC[N@@H+]3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001507792219 1072835982 /nfs/dbraw/zinc/83/59/82/1072835982.db2.gz XQIBXVWRMHVZKC-APWZRJJASA-N 1 1 456.385 1.748 20 30 JDEDMO C=C(Br)Cn1c(N2CC[N@H+]3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001507792219 1072835984 /nfs/dbraw/zinc/83/59/84/1072835984.db2.gz XQIBXVWRMHVZKC-APWZRJJASA-N 1 1 456.385 1.748 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001507804102 1072839753 /nfs/dbraw/zinc/83/97/53/1072839753.db2.gz IKNVBISVNPODIK-RMMWZPCPSA-N 1 1 482.651 1.026 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001507808924 1072841597 /nfs/dbraw/zinc/84/15/97/1072841597.db2.gz VRGVUCUOCXQAGI-QRVBRYPASA-N 1 1 484.667 1.417 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001507808924 1072841598 /nfs/dbraw/zinc/84/15/98/1072841598.db2.gz VRGVUCUOCXQAGI-QRVBRYPASA-N 1 1 484.667 1.417 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507811576 1072841934 /nfs/dbraw/zinc/84/19/34/1072841934.db2.gz SFMIJKAUQRRVQX-WQJYWUQFSA-N 1 1 460.623 1.785 20 30 JDEDMO C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001507852911 1072850553 /nfs/dbraw/zinc/85/05/53/1072850553.db2.gz FAOROEPNCVFYAJ-INIZCTEOSA-N 1 1 497.021 1.734 20 30 JDEDMO C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1ccccc1 ZINC001507853876 1072850908 /nfs/dbraw/zinc/85/09/08/1072850908.db2.gz GIDCNXXULHRIAT-ZJOUEHCJSA-N 1 1 474.631 1.759 20 30 JDEDMO C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001507881386 1072853176 /nfs/dbraw/zinc/85/31/76/1072853176.db2.gz NHIWLKUSMAMWDY-XLIONFOSSA-N 1 1 470.665 1.253 20 30 JDEDMO C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001507881391 1072853250 /nfs/dbraw/zinc/85/32/50/1072853250.db2.gz NHIWLKUSMAMWDY-YLJYHZDGSA-N 1 1 470.665 1.253 20 30 JDEDMO C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001507881383 1072853292 /nfs/dbraw/zinc/85/32/92/1072853292.db2.gz NHIWLKUSMAMWDY-PXNSSMCTSA-N 1 1 470.665 1.253 20 30 JDEDMO C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507959530 1072860715 /nfs/dbraw/zinc/86/07/15/1072860715.db2.gz DRZYQHKPQDNBAA-UGKGYDQZSA-N 1 1 470.622 1.650 20 30 JDEDMO C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507967470 1072862320 /nfs/dbraw/zinc/86/23/20/1072862320.db2.gz KAZZEISKTHGTRB-CEMLEFRQSA-N 1 1 460.623 1.754 20 30 JDEDMO C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507967473 1072862356 /nfs/dbraw/zinc/86/23/56/1072862356.db2.gz KAZZEISKTHGTRB-NNWRFLSQSA-N 1 1 460.623 1.754 20 30 JDEDMO C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC001507992904 1072864368 /nfs/dbraw/zinc/86/43/68/1072864368.db2.gz KUKBXQSZASZRQR-IEBWSBKVSA-N 1 1 464.636 1.278 20 30 JDEDMO C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC001507992904 1072864371 /nfs/dbraw/zinc/86/43/71/1072864371.db2.gz KUKBXQSZASZRQR-IEBWSBKVSA-N 1 1 464.636 1.278 20 30 JDEDMO C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C1CCCC1)C1CC1 ZINC001507993631 1072864851 /nfs/dbraw/zinc/86/48/51/1072864851.db2.gz SMPHTRDKJVNQHF-IBGZPJMESA-N 1 1 452.625 1.640 20 30 JDEDMO C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001507994322 1072865178 /nfs/dbraw/zinc/86/51/78/1072865178.db2.gz ZLCROGDRGOMUSW-WSTZPKSXSA-N 1 1 496.678 1.654 20 30 JDEDMO C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507999599 1072865585 /nfs/dbraw/zinc/86/55/85/1072865585.db2.gz NGOYKNLCNAYJRX-UHFFFAOYSA-N 1 1 471.569 1.963 20 30 JDEDMO C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001508059211 1072870938 /nfs/dbraw/zinc/87/09/38/1072870938.db2.gz QWHGFYGLIRJAOB-QUCCMNQESA-N 1 1 460.604 1.508 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001508078977 1072878459 /nfs/dbraw/zinc/87/84/59/1072878459.db2.gz LZSRXAFSBSYMPI-HSZRJFAPSA-N 1 1 492.628 1.350 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001508080826 1072880195 /nfs/dbraw/zinc/88/01/95/1072880195.db2.gz RHIBDRVIOUGEQY-UHFFFAOYSA-N 1 1 453.595 1.032 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001508090291 1072885847 /nfs/dbraw/zinc/88/58/47/1072885847.db2.gz GSOFZJNIOAJJCR-RBBKRZOGSA-N 1 1 468.602 1.933 20 30 JDEDMO C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001508093313 1072888580 /nfs/dbraw/zinc/88/85/80/1072888580.db2.gz UPYCCMHBKWWSAB-QGZVFWFLSA-N 1 1 471.631 1.882 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001508093616 1072888914 /nfs/dbraw/zinc/88/89/14/1072888914.db2.gz JBNNZQFFHPNGQT-QHCPKHFHSA-N 1 1 458.538 1.599 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001508107828 1072896201 /nfs/dbraw/zinc/89/62/01/1072896201.db2.gz CFAVQLMTZQCISI-YKSBVNFPSA-N 1 1 454.575 1.995 20 30 JDEDMO C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508109479 1072896593 /nfs/dbraw/zinc/89/65/93/1072896593.db2.gz SJGZSFFPQQWYEK-PMACEKPBSA-N 1 1 473.622 1.238 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001508122917 1072899068 /nfs/dbraw/zinc/89/90/68/1072899068.db2.gz HBFBNVHJOPLORF-HBMCJLEFSA-N 1 1 496.678 1.657 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001508122919 1072899086 /nfs/dbraw/zinc/89/90/86/1072899086.db2.gz HBFBNVHJOPLORF-NJYVYQBISA-N 1 1 496.678 1.657 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001508125552 1072900214 /nfs/dbraw/zinc/90/02/14/1072900214.db2.gz PJCXBGMDWRIVPV-PWRODBHTSA-N 1 1 496.678 1.657 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001508139653 1072913340 /nfs/dbraw/zinc/91/33/40/1072913340.db2.gz IJCKYVFFEYTXOB-BGYRXZFFSA-N 1 1 490.678 1.274 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001508142552 1072917848 /nfs/dbraw/zinc/91/78/48/1072917848.db2.gz DYTHHWDPDWZYLE-UHFFFAOYSA-N 1 1 478.663 1.702 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001508143566 1072920071 /nfs/dbraw/zinc/92/00/71/1072920071.db2.gz IGEONPROIBQKQF-UHFFFAOYSA-N 1 1 474.631 1.413 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001508143642 1072920250 /nfs/dbraw/zinc/92/02/50/1072920250.db2.gz IYTZSWFFYWBWQG-FQEVSTJZSA-N 1 1 460.604 1.023 20 30 JDEDMO C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001508148319 1072928021 /nfs/dbraw/zinc/92/80/21/1072928021.db2.gz RGXZXJDGFPEQJD-ICSRJNTNSA-N 1 1 475.663 1.422 20 30 JDEDMO C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001508160720 1072931659 /nfs/dbraw/zinc/93/16/59/1072931659.db2.gz HYNFWBNEUMWYQO-SQNIBIBYSA-N 1 1 472.681 1.449 20 30 JDEDMO C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001508160719 1072931711 /nfs/dbraw/zinc/93/17/11/1072931711.db2.gz HYNFWBNEUMWYQO-KURKYZTESA-N 1 1 472.681 1.449 20 30 JDEDMO CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1 ZINC001508237110 1073009340 /nfs/dbraw/zinc/00/93/40/1073009340.db2.gz OGBICNXLEYUUDQ-AUSIDOKSSA-N 1 1 492.628 1.816 20 30 JDEDMO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001508259381 1073027658 /nfs/dbraw/zinc/02/76/58/1073027658.db2.gz JMWAJBCGZDPMIX-OAQYLSRUSA-N 1 1 467.574 1.244 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCOCC2)CC1 ZINC001508280502 1073060089 /nfs/dbraw/zinc/06/00/89/1073060089.db2.gz VPFZNHGGLYIAFK-UHFFFAOYSA-N 1 1 451.575 1.844 20 30 JDEDMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001508374737 1073157307 /nfs/dbraw/zinc/15/73/07/1073157307.db2.gz IHQZJHPHKRNGBG-GOTSBHOMSA-N 1 1 481.601 1.395 20 30 JDEDMO CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001508388900 1073197663 /nfs/dbraw/zinc/19/76/63/1073197663.db2.gz HGNHQWPGJZHVEG-OAQYLSRUSA-N 1 1 464.574 1.086 20 30 JDEDMO CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001508389917 1073199595 /nfs/dbraw/zinc/19/95/95/1073199595.db2.gz NOYFQBWGFHVOSA-WZONZLPQSA-N 1 1 478.601 1.332 20 30 JDEDMO C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001508428423 1073222713 /nfs/dbraw/zinc/22/27/13/1073222713.db2.gz VEEXFVPVMQFXSC-PXDATVDWSA-N 1 1 466.634 1.305 20 30 JDEDMO C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001508428423 1073222728 /nfs/dbraw/zinc/22/27/28/1073222728.db2.gz VEEXFVPVMQFXSC-PXDATVDWSA-N 1 1 466.634 1.305 20 30 JDEDMO CC(C)(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001508466768 1073261978 /nfs/dbraw/zinc/26/19/78/1073261978.db2.gz ICDFWBAUKDBQNU-FQEVSTJZSA-N 1 1 478.601 1.585 20 30 JDEDMO CC(C)(C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001508512226 1073268931 /nfs/dbraw/zinc/26/89/31/1073268931.db2.gz FNVPBTKUUJYBME-IBGZPJMESA-N 1 1 464.574 1.758 20 30 JDEDMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001508645896 1073307437 /nfs/dbraw/zinc/30/74/37/1073307437.db2.gz VEOJSUIQXPOZNG-ZCNNSNEGSA-N 1 1 489.621 1.926 20 30 JDEDMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001508645886 1073307504 /nfs/dbraw/zinc/30/75/04/1073307504.db2.gz VEOJSUIQXPOZNG-AABGKKOBSA-N 1 1 489.621 1.926 20 30 JDEDMO CC(C)(O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001508723531 1073351516 /nfs/dbraw/zinc/35/15/16/1073351516.db2.gz OYQXZQJTYWOHSE-HXUWFJFHSA-N 1 1 451.575 1.974 20 30 JDEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 ZINC001509405997 1073585286 /nfs/dbraw/zinc/58/52/86/1073585286.db2.gz GGSPKQADQZDXTM-AABGKKOBSA-N 1 1 481.667 1.717 20 30 JDEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 ZINC001509405999 1073585487 /nfs/dbraw/zinc/58/54/87/1073585487.db2.gz GGSPKQADQZDXTM-HSALFYBXSA-N 1 1 481.667 1.717 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 ZINC001509429786 1073605304 /nfs/dbraw/zinc/60/53/04/1073605304.db2.gz AGPHKGPWHOLKBI-NRFANRHFSA-N 1 1 495.632 1.366 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001509432947 1073611892 /nfs/dbraw/zinc/61/18/92/1073611892.db2.gz HKMWFNAEZAWQGL-QZTJIDSGSA-N 1 1 467.640 1.375 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001509438648 1073619892 /nfs/dbraw/zinc/61/98/92/1073619892.db2.gz ZERJXKUDRNVJQY-GHTZIAJQSA-N 1 1 451.575 1.840 20 30 JDEDMO CC(C)[N@@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001509501707 1073652456 /nfs/dbraw/zinc/65/24/56/1073652456.db2.gz CASIHDFUTKJQFS-UHFFFAOYSA-N 1 1 465.606 1.838 20 30 JDEDMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 ZINC001509513017 1073658588 /nfs/dbraw/zinc/65/85/88/1073658588.db2.gz PAXBHSYZMFRMTJ-NHCUHLMSSA-N 1 1 472.615 1.797 20 30 JDEDMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001509524613 1073666339 /nfs/dbraw/zinc/66/63/39/1073666339.db2.gz KKPHFICHFTWKFL-UHFFFAOYSA-N 1 1 451.579 1.334 20 30 JDEDMO CC(C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001509527440 1073668233 /nfs/dbraw/zinc/66/82/33/1073668233.db2.gz KPZYDWYGWIHCOX-FQEVSTJZSA-N 1 1 475.619 1.459 20 30 JDEDMO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001509576261 1073694353 /nfs/dbraw/zinc/69/43/53/1073694353.db2.gz GAJXIQJYUQXDGC-UHFFFAOYSA-N 1 1 480.617 1.720 20 30 JDEDMO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001509579665 1073700927 /nfs/dbraw/zinc/70/09/27/1073700927.db2.gz YTAUIISLYQHYJN-SFHVURJKSA-N 1 1 478.601 1.473 20 30 JDEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164998066 722231774 /nfs/dbraw/zinc/23/17/74/722231774.db2.gz WDQCNCCJYNBLNV-UHFFFAOYSA-N 1 1 455.950 1.930 20 30 JDEDMO CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001500787935 1069311515 /nfs/dbraw/zinc/31/15/15/1069311515.db2.gz RSSYBTHXVHOETF-LJQANCHMSA-N 1 1 468.610 1.201 20 30 JDEDMO CCC[N@@H+](CC)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001500790431 1069314619 /nfs/dbraw/zinc/31/46/19/1069314619.db2.gz USZVLWYHCNSZMV-RBUKOAKNSA-N 1 1 453.595 1.891 20 30 JDEDMO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001500790778 1069314813 /nfs/dbraw/zinc/31/48/13/1069314813.db2.gz YMOSDXIIEDIXRC-FQEVSTJZSA-N 1 1 486.646 1.505 20 30 JDEDMO CCC[N@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 ZINC001500958450 1069340336 /nfs/dbraw/zinc/34/03/36/1069340336.db2.gz RXQKZZXPAAXNAH-OALUTQOASA-N 1 1 453.595 1.923 20 30 JDEDMO CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CC[N@@H+](C)C2)c2ccccc2c1=O ZINC001501069605 1069374346 /nfs/dbraw/zinc/37/43/46/1069374346.db2.gz MBTGEGQGHHOCHM-OSPHWJPCSA-N 1 1 464.574 1.727 20 30 JDEDMO CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001501401236 1069510476 /nfs/dbraw/zinc/51/04/76/1069510476.db2.gz LTRJVVIFRXAYNI-GOSISDBHSA-N 1 1 451.575 1.985 20 30 JDEDMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC001475683034 1069524472 /nfs/dbraw/zinc/52/44/72/1069524472.db2.gz DVUAIJHNPMHZMD-SFHVURJKSA-N 1 1 457.512 1.130 20 30 JDEDMO CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001501431761 1069530877 /nfs/dbraw/zinc/53/08/77/1069530877.db2.gz GOMMVTJRLQEHMJ-UHFFFAOYSA-N 1 1 478.601 1.463 20 30 JDEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 ZINC001501769362 1069625004 /nfs/dbraw/zinc/62/50/04/1069625004.db2.gz DKKSIPDXRFMULQ-UHFFFAOYSA-N 1 1 466.590 1.333 20 30 JDEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 ZINC001501769362 1069625043 /nfs/dbraw/zinc/62/50/43/1069625043.db2.gz DKKSIPDXRFMULQ-UHFFFAOYSA-N 1 1 466.590 1.333 20 30 JDEDMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N(CCC#N)CCN3CCOCC3)cc2)CC1 ZINC001476236648 1069659066 /nfs/dbraw/zinc/65/90/66/1069659066.db2.gz SPVBUQKAOJPCRP-UHFFFAOYSA-N 1 1 456.591 1.473 20 30 JDEDMO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001477661123 1069841852 /nfs/dbraw/zinc/84/18/52/1069841852.db2.gz TUCLBFNVKYROOJ-AZUAARDMSA-N 1 1 457.579 1.652 20 30 JDEDMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C ZINC001502185464 1069846389 /nfs/dbraw/zinc/84/63/89/1069846389.db2.gz GGVPWPGESVMIDE-IBGZPJMESA-N 1 1 451.579 1.832 20 30 JDEDMO CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C ZINC001502186687 1069848251 /nfs/dbraw/zinc/84/82/51/1069848251.db2.gz PHXLXSAZNSXYNF-LJQANCHMSA-N 1 1 488.662 1.817 20 30 JDEDMO CC[N@@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)C(C)C ZINC001502199012 1069853854 /nfs/dbraw/zinc/85/38/54/1069853854.db2.gz BRHNDFIBRBIVKD-SFHVURJKSA-N 1 1 467.640 1.471 20 30 JDEDMO CN1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2)CC1 ZINC001477771651 1069856095 /nfs/dbraw/zinc/85/60/95/1069856095.db2.gz IOAQYZMXHXMWKK-SFTDATJTSA-N 1 1 456.591 1.992 20 30 JDEDMO Cc1ccc(-n2nc(CCCNC(=O)NC[C@H](C)CN3CC[NH+](C)CC3)c(C#N)c2N)cc1 ZINC001477885735 1069872051 /nfs/dbraw/zinc/87/20/51/1069872051.db2.gz NTMDZCLHZQQCFU-IBGZPJMESA-N 1 1 452.607 1.750 20 30 JDEDMO Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)c(C#N)c2N)cc1 ZINC001477885736 1069872128 /nfs/dbraw/zinc/87/21/28/1069872128.db2.gz NTMDZCLHZQQCFU-LJQANCHMSA-N 1 1 452.607 1.750 20 30 JDEDMO N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)nc1 ZINC001478220521 1069929171 /nfs/dbraw/zinc/92/91/71/1069929171.db2.gz VHPOZSATUKWYEZ-ATKRNPRHSA-N 1 1 456.591 1.739 20 30 JDEDMO N#Cc1ccc(OC2CCC(NC(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)nc1 ZINC001478220522 1069929424 /nfs/dbraw/zinc/92/94/24/1069929424.db2.gz VHPOZSATUKWYEZ-ORFBVSJDSA-N 1 1 456.591 1.739 20 30 JDEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001502248866 1069931249 /nfs/dbraw/zinc/93/12/49/1069931249.db2.gz CSHLVLIKXORWDI-QZTJIDSGSA-N 1 1 472.615 1.675 20 30 JDEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502264249 1069971380 /nfs/dbraw/zinc/97/13/80/1069971380.db2.gz WYMOOGVSDNDZTF-DLBZAZTESA-N 1 1 461.592 1.197 20 30 JDEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502264251 1069970009 /nfs/dbraw/zinc/97/00/09/1069970009.db2.gz WYMOOGVSDNDZTF-IRXDYDNUSA-N 1 1 461.592 1.197 20 30 JDEDMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001502271620 1069993525 /nfs/dbraw/zinc/99/35/25/1069993525.db2.gz JAYYIOSVJUUJSK-CTNGQTDRSA-N 1 1 468.606 1.937 20 30 JDEDMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)COC)CC2)C1 ZINC001502273821 1070000150 /nfs/dbraw/zinc/00/01/50/1070000150.db2.gz WUFQLQPQDGLSEA-LJQANCHMSA-N 1 1 451.575 1.890 20 30 JDEDMO C[N@H+]1CCN(CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1(C)C ZINC001478519806 1070011228 /nfs/dbraw/zinc/01/12/28/1070011228.db2.gz HQSUJAWGJZTUEE-UHFFFAOYSA-N 1 1 456.570 1.723 20 30 JDEDMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001502291069 1070029644 /nfs/dbraw/zinc/02/96/44/1070029644.db2.gz UOVOAFPPPVYDHJ-SVFBPWRDSA-N 1 1 468.558 1.573 20 30 JDEDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001502293344 1070036810 /nfs/dbraw/zinc/03/68/10/1070036810.db2.gz CVYQLSFGVOUPCP-QFIPXVFZSA-N 1 1 492.628 1.864 20 30 JDEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502310759 1070075755 /nfs/dbraw/zinc/07/57/55/1070075755.db2.gz FXNKIVRURNDMGD-FQEVSTJZSA-N 1 1 480.617 1.138 20 30 JDEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502310481 1070074440 /nfs/dbraw/zinc/07/44/40/1070074440.db2.gz AFDYRRSWRKFQAX-GHTZIAJQSA-N 1 1 450.591 1.544 20 30 JDEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502310602 1070074619 /nfs/dbraw/zinc/07/46/19/1070074619.db2.gz CKIWBIQETHSZFF-CVDCTZTESA-N 1 1 480.617 1.184 20 30 JDEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001502320789 1070140347 /nfs/dbraw/zinc/14/03/47/1070140347.db2.gz OVAQQNVMCPGTSB-KRWDZBQOSA-N 1 1 458.588 1.287 20 30 JDEDMO CC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001502323778 1070141786 /nfs/dbraw/zinc/14/17/86/1070141786.db2.gz ZQLOXFIPJSFRRB-UYAOXDASSA-N 1 1 451.575 1.842 20 30 JDEDMO CC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001502323777 1070142169 /nfs/dbraw/zinc/14/21/69/1070142169.db2.gz ZQLOXFIPJSFRRB-QUCCMNQESA-N 1 1 451.575 1.842 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502339795 1070219393 /nfs/dbraw/zinc/21/93/93/1070219393.db2.gz BZEVCZBSHNXXMG-UGKGYDQZSA-N 1 1 480.617 1.042 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502340789 1070223064 /nfs/dbraw/zinc/22/30/64/1070223064.db2.gz JGIPDKGJKQLPBU-LJQANCHMSA-N 1 1 450.591 1.369 20 30 JDEDMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001493168368 1070228646 /nfs/dbraw/zinc/22/86/46/1070228646.db2.gz DKVJOBWJKCQHDV-WIYYLYMNSA-N 1 1 478.601 1.426 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 ZINC001502342817 1070231110 /nfs/dbraw/zinc/23/11/10/1070231110.db2.gz FFPGTEHTXKNSSF-NRFANRHFSA-N 1 1 496.708 1.990 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502345803 1070251662 /nfs/dbraw/zinc/25/16/62/1070251662.db2.gz FSONTMIBCNYIEL-OAQYLSRUSA-N 1 1 494.644 1.671 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502346857 1070258346 /nfs/dbraw/zinc/25/83/46/1070258346.db2.gz PIJJFCWPSOTHKP-FXAWDEMLSA-N 1 1 458.636 1.636 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502346859 1070257835 /nfs/dbraw/zinc/25/78/35/1070257835.db2.gz PIJJFCWPSOTHKP-XLIONFOSSA-N 1 1 458.636 1.636 20 30 JDEDMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502349128 1070265342 /nfs/dbraw/zinc/26/53/42/1070265342.db2.gz NTJWXIBUUTUUMR-JOCHJYFZSA-N 1 1 485.658 1.858 20 30 JDEDMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001502349129 1070265982 /nfs/dbraw/zinc/26/59/82/1070265982.db2.gz NTJWXIBUUTUUMR-QFIPXVFZSA-N 1 1 485.658 1.858 20 30 JDEDMO CC[NH+]1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502354138 1070280395 /nfs/dbraw/zinc/28/03/95/1070280395.db2.gz AACSTCLIHFDLQH-RUZDIDTESA-N 1 1 464.618 1.807 20 30 JDEDMO CC[NH+]1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502355388 1070288635 /nfs/dbraw/zinc/28/86/35/1070288635.db2.gz XKSLGWMBJHJMEB-JOCHJYFZSA-N 1 1 464.618 1.807 20 30 JDEDMO CC[NH+]1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001502355541 1070288792 /nfs/dbraw/zinc/28/87/92/1070288792.db2.gz ZKCCDAMHQRJDAV-UHFFFAOYSA-N 1 1 464.618 1.949 20 30 JDEDMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494088004 1070388769 /nfs/dbraw/zinc/38/87/69/1070388769.db2.gz QVYQEDMCJDNCRY-QOIOWGMHSA-N 1 1 471.603 1.218 20 30 JDEDMO CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001502443902 1070426274 /nfs/dbraw/zinc/42/62/74/1070426274.db2.gz BDTVYEZJGPJKBJ-HXUWFJFHSA-N 1 1 479.633 1.694 20 30 JDEDMO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001494236750 1070515489 /nfs/dbraw/zinc/51/54/89/1070515489.db2.gz SVMYEDUNWBHVLY-WIYYLYMNSA-N 1 1 451.575 1.842 20 30 JDEDMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001494518014 1070609207 /nfs/dbraw/zinc/60/92/07/1070609207.db2.gz GKMMTENONWVVBV-ZWKOTPCHSA-N 1 1 467.640 1.519 20 30 JDEDMO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCCO1 ZINC001494522756 1070616124 /nfs/dbraw/zinc/61/61/24/1070616124.db2.gz IKZFWAOYIMDPHB-OAQYLSRUSA-N 1 1 494.644 1.528 20 30 JDEDMO C[C@H]1C[N@@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CCCO1 ZINC001494522527 1070614783 /nfs/dbraw/zinc/61/47/83/1070614783.db2.gz DVGYXHGTXYIAJZ-SFHVURJKSA-N 1 1 460.604 1.798 20 30 JDEDMO C[C@H]1C[N@@H+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCCO1 ZINC001494522755 1070616372 /nfs/dbraw/zinc/61/63/72/1070616372.db2.gz IKZFWAOYIMDPHB-NRFANRHFSA-N 1 1 494.644 1.528 20 30 JDEDMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001496117387 1070831184 /nfs/dbraw/zinc/83/11/84/1070831184.db2.gz SKRXKOHZSACPKM-QZTJIDSGSA-N 1 1 489.650 1.212 20 30 JDEDMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001496187708 1070833350 /nfs/dbraw/zinc/83/33/50/1070833350.db2.gz IFFOTHBCZCPZKZ-FXAWDEMLSA-N 1 1 455.563 1.410 20 30 JDEDMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001496187130 1070833432 /nfs/dbraw/zinc/83/34/32/1070833432.db2.gz FLVGBWLDDKCYOZ-GOSISDBHSA-N 1 1 494.600 1.980 20 30 JDEDMO CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCOC1 ZINC001502729929 1070840656 /nfs/dbraw/zinc/84/06/56/1070840656.db2.gz UCJYMHJDHBXOJF-FZONSQQESA-N 1 1 462.595 1.547 20 30 JDEDMO COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001504132466 1070850024 /nfs/dbraw/zinc/85/00/24/1070850024.db2.gz ZGHRVLAYGCVFAB-FQEVSTJZSA-N 1 1 456.547 1.802 20 30 JDEDMO COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001504132466 1070850026 /nfs/dbraw/zinc/85/00/26/1070850026.db2.gz ZGHRVLAYGCVFAB-FQEVSTJZSA-N 1 1 456.547 1.802 20 30 JDEDMO CCOCc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001503066058 1071021843 /nfs/dbraw/zinc/02/18/43/1071021843.db2.gz DKRFIWDRMCGJBX-IBGZPJMESA-N 1 1 455.563 1.586 20 30 JDEDMO CCOCc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001503066058 1071021861 /nfs/dbraw/zinc/02/18/61/1071021861.db2.gz DKRFIWDRMCGJBX-IBGZPJMESA-N 1 1 455.563 1.586 20 30 JDEDMO CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503103994 1071055502 /nfs/dbraw/zinc/05/55/02/1071055502.db2.gz PNKSNXYRTMAHKV-OAQYLSRUSA-N 1 1 468.606 1.765 20 30 JDEDMO CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001503272445 1071371189 /nfs/dbraw/zinc/37/11/89/1071371189.db2.gz HCLJYVAHIBVVPF-UHFFFAOYSA-N 1 1 487.630 1.447 20 30 JDEDMO COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504586797 1071420341 /nfs/dbraw/zinc/42/03/41/1071420341.db2.gz BMKZGEAEFGEWJF-WOJBJXKFSA-N 1 1 453.547 1.084 20 30 JDEDMO COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504586793 1071420451 /nfs/dbraw/zinc/42/04/51/1071420451.db2.gz BMKZGEAEFGEWJF-UXHICEINSA-N 1 1 453.547 1.084 20 30 JDEDMO COC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504591362 1071433319 /nfs/dbraw/zinc/43/33/19/1071433319.db2.gz VHPQHPUKMZDQAT-OAQYLSRUSA-N 1 1 450.547 1.534 20 30 JDEDMO CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001503283685 1071447674 /nfs/dbraw/zinc/44/76/74/1071447674.db2.gz BHEKFZHAGDRHIQ-UHFFFAOYSA-N 1 1 473.647 2.000 20 30 JDEDMO CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001503285898 1071469807 /nfs/dbraw/zinc/46/98/07/1071469807.db2.gz OFZXSFHGNVCJOM-HXUWFJFHSA-N 1 1 473.603 1.263 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 ZINC001503357010 1071556332 /nfs/dbraw/zinc/55/63/32/1071556332.db2.gz DEHLAHKUJGMRNY-HXUWFJFHSA-N 1 1 470.622 1.473 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 ZINC001503359676 1071570925 /nfs/dbraw/zinc/57/09/25/1071570925.db2.gz NACFVWBERFBACH-LEWJYISDSA-N 1 1 462.558 1.488 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 ZINC001503360341 1071573219 /nfs/dbraw/zinc/57/32/19/1071573219.db2.gz PTLFSYJMIKXALP-HXUWFJFHSA-N 1 1 470.622 1.587 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001503360727 1071574041 /nfs/dbraw/zinc/57/40/41/1071574041.db2.gz QZQCKRRPDYEPRV-STSQHVNTSA-N 1 1 456.595 1.302 20 30 JDEDMO COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001504714427 1071574554 /nfs/dbraw/zinc/57/45/54/1071574554.db2.gz OWCLLHMMTZCUKI-VXKWHMMOSA-N 1 1 481.601 1.611 20 30 JDEDMO COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001504714125 1071574619 /nfs/dbraw/zinc/57/46/19/1071574619.db2.gz OWCLLHMMTZCUKI-FCHUYYIVSA-N 1 1 481.601 1.611 20 30 JDEDMO COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001504714126 1071574670 /nfs/dbraw/zinc/57/46/70/1071574670.db2.gz OWCLLHMMTZCUKI-FGZHOGPDSA-N 1 1 481.601 1.611 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001503360786 1071574986 /nfs/dbraw/zinc/57/49/86/1071574986.db2.gz RVKGQPGBVDZNED-UNMCSNQZSA-N 1 1 492.628 1.851 20 30 JDEDMO CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503363933 1071586751 /nfs/dbraw/zinc/58/67/51/1071586751.db2.gz AAXLOVLYNGVUJI-NRFANRHFSA-N 1 1 478.601 1.428 20 30 JDEDMO COCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504755780 1071643220 /nfs/dbraw/zinc/64/32/20/1071643220.db2.gz KOPWBUDFUBCMEK-PXDATVDWSA-N 1 1 481.601 1.601 20 30 JDEDMO COCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001504811764 1071683522 /nfs/dbraw/zinc/68/35/22/1071683522.db2.gz PMPHRWUWTDOLMX-UHFFFAOYSA-N 1 1 481.605 1.076 20 30 JDEDMO CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001503407410 1071685139 /nfs/dbraw/zinc/68/51/39/1071685139.db2.gz VFESHSHTUABVBI-UHFFFAOYSA-N 1 1 496.641 1.759 20 30 JDEDMO CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[N@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001503415517 1071704159 /nfs/dbraw/zinc/70/41/59/1071704159.db2.gz MCXDZUDWADUWFA-WOJBJXKFSA-N 1 1 458.588 1.287 20 30 JDEDMO CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001503415516 1071704264 /nfs/dbraw/zinc/70/42/64/1071704264.db2.gz MCXDZUDWADUWFA-VQTJNVASSA-N 1 1 458.588 1.287 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001504850220 1071747199 /nfs/dbraw/zinc/74/71/99/1071747199.db2.gz CYVHNECFJRHVJO-UHFFFAOYSA-N 1 1 496.616 1.359 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001504851308 1071750171 /nfs/dbraw/zinc/75/01/71/1071750171.db2.gz KZIMXULOIOYVQI-QHCPKHFHSA-N 1 1 472.615 1.800 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001504853752 1071760108 /nfs/dbraw/zinc/76/01/08/1071760108.db2.gz AMGRMYJENOHDGO-SIKLNZKXSA-N 1 1 453.591 1.552 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001504853747 1071760490 /nfs/dbraw/zinc/76/04/90/1071760490.db2.gz AMGRMYJENOHDGO-DENIHFKCSA-N 1 1 453.591 1.552 20 30 JDEDMO COCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N ZINC001504857428 1071776106 /nfs/dbraw/zinc/77/61/06/1071776106.db2.gz LDJXBKBTNUPJGP-ROUUACIJSA-N 1 1 465.599 1.903 20 30 JDEDMO COCC[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N ZINC001504857427 1071776754 /nfs/dbraw/zinc/77/67/54/1071776754.db2.gz LDJXBKBTNUPJGP-QZTJIDSGSA-N 1 1 465.599 1.903 20 30 JDEDMO COCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001504857629 1071777525 /nfs/dbraw/zinc/77/75/25/1071777525.db2.gz NRIZWVGCVYFJLR-GOSISDBHSA-N 1 1 459.545 1.902 20 30 JDEDMO COCC[N@@H+](C)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001504859101 1071785552 /nfs/dbraw/zinc/78/55/52/1071785552.db2.gz SGBNVIKGJGMUIJ-IBGZPJMESA-N 1 1 467.622 1.966 20 30 JDEDMO COCC[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001504859202 1071787676 /nfs/dbraw/zinc/78/76/76/1071787676.db2.gz WDKDJNDRZKNBBS-IBGZPJMESA-N 1 1 453.547 1.118 20 30 JDEDMO COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504885702 1071810156 /nfs/dbraw/zinc/81/01/56/1071810156.db2.gz USPYUPHKLWCDJR-UHFFFAOYSA-N 1 1 483.573 1.247 20 30 JDEDMO COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504885626 1071810296 /nfs/dbraw/zinc/81/02/96/1071810296.db2.gz RQYQQLXLQLGTEV-UHFFFAOYSA-N 1 1 460.970 1.524 20 30 JDEDMO C[N@@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CCCC1 ZINC001503610302 1071893962 /nfs/dbraw/zinc/89/39/62/1071893962.db2.gz FMGYLYNYKRWVHP-IBGZPJMESA-N 1 1 465.624 1.225 20 30 JDEDMO C[N@@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CCCC1 ZINC001503612941 1071898785 /nfs/dbraw/zinc/89/87/85/1071898785.db2.gz IXJXEXZIAFWVSI-UHFFFAOYSA-N 1 1 458.588 1.838 20 30 JDEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CCNC(=O)C1N=CC=CC1=O ZINC001503619058 1071908491 /nfs/dbraw/zinc/90/84/91/1071908491.db2.gz RACDSDRZXOIJBI-VZCXRCSSSA-N 1 1 468.562 1.347 20 30 JDEDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CCNC(=O)C1N=CC=CC1=O ZINC001503619058 1071908498 /nfs/dbraw/zinc/90/84/98/1071908498.db2.gz RACDSDRZXOIJBI-VZCXRCSSSA-N 1 1 468.562 1.347 20 30 JDEDMO COCC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC1 ZINC001504924924 1071910978 /nfs/dbraw/zinc/91/09/78/1071910978.db2.gz IJVPCNNYHZZSIR-UHFFFAOYSA-N 1 1 483.617 1.608 20 30 JDEDMO CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001503625332 1071934415 /nfs/dbraw/zinc/93/44/15/1071934415.db2.gz OPQMLVPOUYOTPC-SFHVURJKSA-N 1 1 484.586 1.173 20 30 JDEDMO COCCO[C@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001504967541 1072015081 /nfs/dbraw/zinc/01/50/81/1072015081.db2.gz FKVVELQDTOTZHG-FOIQADDNSA-N 1 1 455.563 1.877 20 30 JDEDMO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503680623 1072011882 /nfs/dbraw/zinc/01/18/82/1072011882.db2.gz XNAWUZSBETZYOM-RUZDIDTESA-N 1 1 467.618 1.678 20 30 JDEDMO C[N@H+]1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001503681489 1072013216 /nfs/dbraw/zinc/01/32/16/1072013216.db2.gz UAQMXFZRKNTJGY-XLIONFOSSA-N 1 1 466.464 1.563 20 30 JDEDMO COCCO[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001504983089 1072032690 /nfs/dbraw/zinc/03/26/90/1072032690.db2.gz JFWIUAKEACZPMP-CJFMBICVSA-N 1 1 483.617 1.657 20 30 JDEDMO CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1OC ZINC001505119611 1072263676 /nfs/dbraw/zinc/26/36/76/1072263676.db2.gz RJPNPURHTRBFDX-RJGXRXQPSA-N 1 1 484.601 1.936 20 30 JDEDMO CS(=O)(=O)CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001505129282 1072294059 /nfs/dbraw/zinc/29/40/59/1072294059.db2.gz FINSTXMSEWDRSO-OAQYLSRUSA-N 1 1 499.641 1.638 20 30 JDEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC001465328524 1067781247 /nfs/dbraw/zinc/78/12/47/1067781247.db2.gz NAEULJWPJCJYFS-RTBURBONSA-N 1 1 455.584 1.552 20 30 JDEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC001465328523 1067781309 /nfs/dbraw/zinc/78/13/09/1067781309.db2.gz NAEULJWPJCJYFS-RBUKOAKNSA-N 1 1 455.584 1.552 20 30 JDEDMO C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)c1 ZINC001465718031 1067823507 /nfs/dbraw/zinc/82/35/07/1067823507.db2.gz DKNHKYWURBXCIY-UHFFFAOYSA-N 1 1 454.552 1.167 20 30 JDEDMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2)CC1 ZINC001465802564 1067831653 /nfs/dbraw/zinc/83/16/53/1067831653.db2.gz KFBDALFGZKXHHH-UHFFFAOYSA-N 1 1 452.563 1.667 20 30 JDEDMO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001466133191 1067863701 /nfs/dbraw/zinc/86/37/01/1067863701.db2.gz SBSKSGFMAHJMBE-RBDMOPTHSA-N 1 1 456.568 1.224 20 30 JDEDMO Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1S(=O)(=O)NCC#N ZINC001466813752 1067926013 /nfs/dbraw/zinc/92/60/13/1067926013.db2.gz RUZBKANDBNWFPS-NRFANRHFSA-N 1 1 456.568 1.684 20 30 JDEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC001468544793 1068309438 /nfs/dbraw/zinc/30/94/38/1068309438.db2.gz DDUNHCHIVVDRAJ-LJQANCHMSA-N 1 1 455.584 1.794 20 30 JDEDMO CCc1nc(C[NH+]2CCC(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)cs1 ZINC001468807047 1068372920 /nfs/dbraw/zinc/37/29/20/1068372920.db2.gz FVJUSTAHYSSUBF-OXJNMPFZSA-N 1 1 451.618 1.497 20 30 JDEDMO COc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1S(N)(=O)=O ZINC001470389596 1068755162 /nfs/dbraw/zinc/75/51/62/1068755162.db2.gz VDLTYFQQNTZQCT-UHFFFAOYSA-N 1 1 457.556 1.632 20 30 JDEDMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001499328518 1068983945 /nfs/dbraw/zinc/98/39/45/1068983945.db2.gz HIHOLNZOJMGBGU-HXUWFJFHSA-N 1 1 467.574 1.554 20 30 JDEDMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001499328518 1068983954 /nfs/dbraw/zinc/98/39/54/1068983954.db2.gz HIHOLNZOJMGBGU-HXUWFJFHSA-N 1 1 467.574 1.554 20 30 JDEDMO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC[N@H+]1CCOC ZINC001499680596 1069040264 /nfs/dbraw/zinc/04/02/64/1069040264.db2.gz IQUAZGBYNMJUAT-GOSISDBHSA-N 1 1 461.517 1.745 20 30 JDEDMO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC[N@H+]1CCOC ZINC001499680597 1069040596 /nfs/dbraw/zinc/04/05/96/1069040596.db2.gz IQUAZGBYNMJUAT-SFHVURJKSA-N 1 1 461.517 1.745 20 30 JDEDMO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](C)CCOC)C[C@@H]1N1CCOCC1 ZINC001499682265 1069041756 /nfs/dbraw/zinc/04/17/56/1069041756.db2.gz YFEDXAKXSQASRW-GGAORHGYSA-N 1 1 467.618 1.942 20 30 JDEDMO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001499695464 1069043460 /nfs/dbraw/zinc/04/34/60/1069043460.db2.gz AHTQCIHJBCIBJT-UNMCSNQZSA-N 1 1 451.575 1.890 20 30 JDEDMO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC[N@H+]1CCOC ZINC001499696334 1069044251 /nfs/dbraw/zinc/04/42/51/1069044251.db2.gz HQOGDYVXWYWWJA-GBXCKJPGSA-N 1 1 451.575 1.842 20 30 JDEDMO CC[C@@H](C)[C@H](NC(=O)Cn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2)C(=O)OC ZINC001473061844 1069067859 /nfs/dbraw/zinc/06/78/59/1069067859.db2.gz BQQXKNMNKQDDPR-HXOBKFHXSA-N 1 1 450.539 1.982 20 30 JDEDMO CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001499898303 1069114291 /nfs/dbraw/zinc/11/42/91/1069114291.db2.gz GYAWAKPYIWKKRB-XMMPIXPASA-N 1 1 451.575 1.768 20 30 JDEDMO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001499902657 1069116495 /nfs/dbraw/zinc/11/64/95/1069116495.db2.gz LXJMXRIZVWNDTR-UHFFFAOYSA-N 1 1 492.628 1.866 20 30 JDEDMO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)C(=O)C1 ZINC001473399822 1069138460 /nfs/dbraw/zinc/13/84/60/1069138460.db2.gz CLLDNWKFJVYVRX-FQEVSTJZSA-N 1 1 455.559 1.718 20 30 JDEDMO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)C(=O)C1 ZINC001473399822 1069138466 /nfs/dbraw/zinc/13/84/66/1069138466.db2.gz CLLDNWKFJVYVRX-FQEVSTJZSA-N 1 1 455.559 1.718 20 30 JDEDMO C#CC1(O)CC[NH+](CC(=O)N(Cc2ccccc2)c2c(N)n(CCCC)c(=O)[nH]c2=O)CC1 ZINC001473671022 1069205463 /nfs/dbraw/zinc/20/54/63/1069205463.db2.gz AWUZSAWHNLFDLJ-UHFFFAOYSA-N 1 1 453.543 1.325 20 30 JDEDMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cn1 ZINC001473702644 1069211891 /nfs/dbraw/zinc/21/18/91/1069211891.db2.gz LUAGFJMWZAYJCF-RTBURBONSA-N 1 1 455.588 1.085 20 30 JDEDMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cn1 ZINC001473702644 1069211907 /nfs/dbraw/zinc/21/19/07/1069211907.db2.gz LUAGFJMWZAYJCF-RTBURBONSA-N 1 1 455.588 1.085 20 30 JDEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H]2C(=O)NCC23CCOCC3)c1C#N ZINC001473831118 1069229967 /nfs/dbraw/zinc/22/99/67/1069229967.db2.gz YLXFPNALFPYAKO-OAQYLSRUSA-N 1 1 453.518 1.987 20 30 JDEDMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001500407452 1069244735 /nfs/dbraw/zinc/24/47/35/1069244735.db2.gz MQANJCOKZIEOLK-LJQANCHMSA-N 1 1 480.621 1.623 20 30 JDEDMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001500417149 1069249250 /nfs/dbraw/zinc/24/92/50/1069249250.db2.gz JQWYDLOYCVZQPT-HXUWFJFHSA-N 1 1 486.646 1.505 20 30 JDEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001500532275 1069259515 /nfs/dbraw/zinc/25/95/15/1069259515.db2.gz PWUVCHZUHUQDPI-NRSPTQNISA-N 1 1 492.694 1.719 20 30 JDEDMO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c1 ZINC001474852157 1069286722 /nfs/dbraw/zinc/28/67/22/1069286722.db2.gz QJGSUAXPGFYEHL-UHFFFAOYSA-N 1 1 452.552 1.078 20 30 JDEDMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001500772766 1069308988 /nfs/dbraw/zinc/30/89/88/1069308988.db2.gz HWGHVHFPWIFHOA-LJQANCHMSA-N 1 1 480.621 1.623 20 30 JDEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O ZINC001505288252 1072469955 /nfs/dbraw/zinc/46/99/55/1072469955.db2.gz RJZXJPSDEWYDKQ-KRWDZBQOSA-N 1 1 473.603 1.055 20 30 JDEDMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)O1 ZINC001505290563 1072476900 /nfs/dbraw/zinc/47/69/00/1072476900.db2.gz ZAOIRVVWYPQMFP-QKLQHJQFSA-N 1 1 480.573 1.350 20 30 JDEDMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)O1 ZINC001505290563 1072476913 /nfs/dbraw/zinc/47/69/13/1072476913.db2.gz ZAOIRVVWYPQMFP-QKLQHJQFSA-N 1 1 480.573 1.350 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001507516364 1072594506 /nfs/dbraw/zinc/59/45/06/1072594506.db2.gz BXGQQNGPFBXGRE-IEBWSBKVSA-N 1 1 473.647 1.851 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001507516369 1072595141 /nfs/dbraw/zinc/59/51/41/1072595141.db2.gz BXGQQNGPFBXGRE-PKOBYXMFSA-N 1 1 473.647 1.851 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001507522897 1072596392 /nfs/dbraw/zinc/59/63/92/1072596392.db2.gz YSQRNAHHGFUREH-UYAOXDASSA-N 1 1 474.631 1.500 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001507545672 1072606678 /nfs/dbraw/zinc/60/66/78/1072606678.db2.gz ABUGNIRMADESMF-QFIPXVFZSA-N 1 1 495.628 1.829 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001507546835 1072607669 /nfs/dbraw/zinc/60/76/69/1072607669.db2.gz IQVHLSXKENKLPS-LJQANCHMSA-N 1 1 481.601 1.441 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001507547819 1072608697 /nfs/dbraw/zinc/60/86/97/1072608697.db2.gz NKFQTKCFQKQRIW-LJQANCHMSA-N 1 1 474.569 1.932 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001507551018 1072613177 /nfs/dbraw/zinc/61/31/77/1072613177.db2.gz UDRFAUZOKHZBAF-VXKWHMMOSA-N 1 1 493.612 1.642 20 30 JDEDMO C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001507553988 1072615858 /nfs/dbraw/zinc/61/58/58/1072615858.db2.gz KDLOYZFOVKDZFX-QFIPXVFZSA-N 1 1 494.644 1.960 20 30 JDEDMO C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001507557112 1072618583 /nfs/dbraw/zinc/61/85/83/1072618583.db2.gz OHIDLCRHGNGMMU-GOSISDBHSA-N 1 1 462.624 1.138 20 30 JDEDMO C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001507564325 1072622978 /nfs/dbraw/zinc/62/29/78/1072622978.db2.gz PHZZRYXLVLRVFF-FGZHOGPDSA-N 1 1 492.690 1.215 20 30 JDEDMO C#CCCCCn1c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001507576613 1072629745 /nfs/dbraw/zinc/62/97/45/1072629745.db2.gz YTTQWKXTSJGXCD-HYBUGGRVSA-N 1 1 458.607 1.477 20 30 JDEDMO C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC001507591605 1072635276 /nfs/dbraw/zinc/63/52/76/1072635276.db2.gz MAPXETYKWNWOCP-FPOVZHCZSA-N 1 1 452.559 1.205 20 30 JDEDMO C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC001507591609 1072635479 /nfs/dbraw/zinc/63/54/79/1072635479.db2.gz MAPXETYKWNWOCP-TZIWHRDSSA-N 1 1 452.559 1.205 20 30 JDEDMO C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507609644 1072638386 /nfs/dbraw/zinc/63/83/86/1072638386.db2.gz CWMFIBCDPSLFBA-UHFFFAOYSA-N 1 1 454.575 1.974 20 30 JDEDMO C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001507611256 1072639354 /nfs/dbraw/zinc/63/93/54/1072639354.db2.gz MFEMDPMJAXUYDI-UHFFFAOYSA-N 1 1 462.602 1.770 20 30 JDEDMO C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001507616960 1072641310 /nfs/dbraw/zinc/64/13/10/1072641310.db2.gz QAZYFRFJMLFHIC-NHCUHLMSSA-N 1 1 472.615 1.345 20 30 JDEDMO C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507623119 1072650136 /nfs/dbraw/zinc/65/01/36/1072650136.db2.gz RTKFUQDZOHPOKG-UXHICEINSA-N 1 1 478.663 1.411 20 30 JDEDMO C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001507623408 1072651407 /nfs/dbraw/zinc/65/14/07/1072651407.db2.gz RTLRTMZQRWPWHZ-IBGZPJMESA-N 1 1 485.614 1.284 20 30 JDEDMO C#CCN(c1nnc(C(C)(C)C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001507623664 1072652256 /nfs/dbraw/zinc/65/22/56/1072652256.db2.gz VHQBWIQHZXWCBT-MOPGFXCFSA-N 1 1 478.663 1.145 20 30 JDEDMO C#CCN(c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001507623664 1072652266 /nfs/dbraw/zinc/65/22/66/1072652266.db2.gz VHQBWIQHZXWCBT-MOPGFXCFSA-N 1 1 478.663 1.145 20 30 JDEDMO C#CCN(c1nnc(C(C)(C)C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001507623667 1072653148 /nfs/dbraw/zinc/65/31/48/1072653148.db2.gz VHQBWIQHZXWCBT-RTBURBONSA-N 1 1 478.663 1.145 20 30 JDEDMO C#CCN(c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001507623667 1072653162 /nfs/dbraw/zinc/65/31/62/1072653162.db2.gz VHQBWIQHZXWCBT-RTBURBONSA-N 1 1 478.663 1.145 20 30 JDEDMO C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[N@@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001507624498 1072654589 /nfs/dbraw/zinc/65/45/89/1072654589.db2.gz APMYQMNNZAIZLR-KNQAVFIVSA-N 1 1 467.636 1.286 20 30 JDEDMO C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507626043 1072660974 /nfs/dbraw/zinc/66/09/74/1072660974.db2.gz MNENXJAOCNIAIX-YZUZCNPQSA-N 1 1 471.627 1.513 20 30 JDEDMO C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507626043 1072660988 /nfs/dbraw/zinc/66/09/88/1072660988.db2.gz MNENXJAOCNIAIX-YZUZCNPQSA-N 1 1 471.627 1.513 20 30 JDEDMO C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507628480 1072669814 /nfs/dbraw/zinc/66/98/14/1072669814.db2.gz OPHDTEYNJMUMCE-HRAATJIYSA-N 1 1 498.436 1.945 20 30 JDEDMO C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507629821 1072675284 /nfs/dbraw/zinc/67/52/84/1072675284.db2.gz WRMYDTCYTFZCAS-VGSWGCGISA-N 1 1 494.017 1.300 20 30 JDEDMO C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507630191 1072678301 /nfs/dbraw/zinc/67/83/01/1072678301.db2.gz ZUULLLSZYPCZKT-SFHVURJKSA-N 1 1 460.991 1.882 20 30 JDEDMO C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507630191 1072678323 /nfs/dbraw/zinc/67/83/23/1072678323.db2.gz ZUULLLSZYPCZKT-SFHVURJKSA-N 1 1 460.991 1.882 20 30 JDEDMO C#CCN(c1nnc(-c2cccc(C)n2)n1CCC[N@H+]1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507630842 1072683058 /nfs/dbraw/zinc/68/30/58/1072683058.db2.gz IQMDFKSAVYQGNH-LEWJYISDSA-N 1 1 486.642 1.776 20 30 JDEDMO C#CCN(c1nnc(-c2cccc(C)n2)n1CCC[N@H+]1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507630845 1072683095 /nfs/dbraw/zinc/68/30/95/1072683095.db2.gz IQMDFKSAVYQGNH-SFTDATJTSA-N 1 1 486.642 1.776 20 30 JDEDMO C#CCN(c1nnc(-c2noc3c2COCC3)n1CC[N@H+](CC)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC001507631433 1072687856 /nfs/dbraw/zinc/68/78/56/1072687856.db2.gz PMCNVJVEKQZZGR-QGZVFWFLSA-N 1 1 476.603 1.364 20 30 JDEDMO C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCN(CC[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001507632380 1072694831 /nfs/dbraw/zinc/69/48/31/1072694831.db2.gz ZWHKKHBHCIQJCA-FQEVSTJZSA-N 1 1 473.647 1.174 20 30 JDEDMO C#CCN(c1nnc(Cc2ccccc2OC)n1CC[N@H+]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507633144 1072700843 /nfs/dbraw/zinc/70/08/43/1072700843.db2.gz BRZGDLHPZFMDKV-PZJWPPBQSA-N 1 1 471.627 1.989 20 30 JDEDMO C#CCN(c1nnc(Cc2ccccc2OC)n1CC[N@H+]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001507633141 1072701026 /nfs/dbraw/zinc/70/10/26/1072701026.db2.gz BRZGDLHPZFMDKV-CTNGQTDRSA-N 1 1 471.627 1.989 20 30 JDEDMO C#CCN(c1nnc(Cc2cccnc2)n1CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001507633660 1072704556 /nfs/dbraw/zinc/70/45/56/1072704556.db2.gz FZSAFNBMHQBWJL-FQEVSTJZSA-N 1 1 453.572 1.486 20 30 JDEDMO C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[N@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001507633763 1072705383 /nfs/dbraw/zinc/70/53/83/1072705383.db2.gz GXWHOCSQMMLYHD-UXHICEINSA-N 1 1 492.671 1.107 20 30 JDEDMO C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[N@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001507633759 1072705656 /nfs/dbraw/zinc/70/56/56/1072705656.db2.gz GXWHOCSQMMLYHD-PMACEKPBSA-N 1 1 492.671 1.107 20 30 JDEDMO C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001507638395 1072721272 /nfs/dbraw/zinc/72/12/72/1072721272.db2.gz FAZBYGDRFFXWIT-KRWDZBQOSA-N 1 1 487.611 1.101 20 30 JDEDMO C#CCN(c1nnc(COc2cccc(C)c2)n1CCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507640370 1072731005 /nfs/dbraw/zinc/73/10/05/1072731005.db2.gz QOIIAOOBFCKYPG-HXUWFJFHSA-N 1 1 468.583 1.997 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001507652210 1072741690 /nfs/dbraw/zinc/74/16/90/1072741690.db2.gz FBWUNKKGORKFPJ-SFTDATJTSA-N 1 1 486.617 1.506 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001507652202 1072742074 /nfs/dbraw/zinc/74/20/74/1072742074.db2.gz FBWUNKKGORKFPJ-LEWJYISDSA-N 1 1 486.617 1.506 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001507660460 1072750016 /nfs/dbraw/zinc/75/00/16/1072750016.db2.gz UPLIDZVEIVDYEY-JTHBVZDNSA-N 1 1 498.653 1.642 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001507662221 1072751498 /nfs/dbraw/zinc/75/14/98/1072751498.db2.gz FYFASRNDAGKGNA-OAQYLSRUSA-N 1 1 469.611 1.658 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc[nH+]c1C ZINC001507663301 1072751779 /nfs/dbraw/zinc/75/17/79/1072751779.db2.gz WQEUHJUZTJYTFM-UHFFFAOYSA-N 1 1 465.583 1.863 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001507664108 1072752479 /nfs/dbraw/zinc/75/24/79/1072752479.db2.gz GZQPXLRRPFVYHH-UHFFFAOYSA-N 1 1 472.601 1.410 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001507664108 1072752493 /nfs/dbraw/zinc/75/24/93/1072752493.db2.gz GZQPXLRRPFVYHH-UHFFFAOYSA-N 1 1 472.601 1.410 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001507664108 1072752504 /nfs/dbraw/zinc/75/25/04/1072752504.db2.gz GZQPXLRRPFVYHH-UHFFFAOYSA-N 1 1 472.601 1.410 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[NH+]1CCOCC1 ZINC001507664687 1072752653 /nfs/dbraw/zinc/75/26/53/1072752653.db2.gz CYXSRTZUHOIATG-UHFFFAOYSA-N 1 1 469.615 1.423 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001507669688 1072754690 /nfs/dbraw/zinc/75/46/90/1072754690.db2.gz PNUFNSSORWAKQT-CJFMBICVSA-N 1 1 470.618 1.922 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001507690715 1072762409 /nfs/dbraw/zinc/76/24/09/1072762409.db2.gz VWJFABFNJDTZHW-HXUWFJFHSA-N 1 1 466.652 1.725 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001507690395 1072762661 /nfs/dbraw/zinc/76/26/61/1072762661.db2.gz SGWBYLYPVWIULM-SFTDATJTSA-N 1 1 457.600 1.255 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001507690395 1072762671 /nfs/dbraw/zinc/76/26/71/1072762671.db2.gz SGWBYLYPVWIULM-SFTDATJTSA-N 1 1 457.600 1.255 20 30 JDEDMO C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001507701921 1072764967 /nfs/dbraw/zinc/76/49/67/1072764967.db2.gz DUJWHJVXDQQOND-OAQYLSRUSA-N 1 1 480.613 1.869 20 30 JDEDMO C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001507701921 1072764983 /nfs/dbraw/zinc/76/49/83/1072764983.db2.gz DUJWHJVXDQQOND-OAQYLSRUSA-N 1 1 480.613 1.869 20 30 JDEDMO C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507703573 1072766192 /nfs/dbraw/zinc/76/61/92/1072766192.db2.gz BQPHQTZPWNTYCB-UHFFFAOYSA-N 1 1 478.395 1.286 20 30 JDEDMO C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001507705725 1072766933 /nfs/dbraw/zinc/76/69/33/1072766933.db2.gz GGBUOVXEKXKSGW-FQEVSTJZSA-N 1 1 466.355 1.999 20 30 JDEDMO C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001507715789 1072774214 /nfs/dbraw/zinc/77/42/14/1072774214.db2.gz CZGGPGLOEUIPMF-VWLOTQADSA-N 1 1 474.569 1.366 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001507717411 1072776882 /nfs/dbraw/zinc/77/68/82/1072776882.db2.gz BQVFYUZTUNFTKN-OAQYLSRUSA-N 1 1 459.392 1.529 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001507718016 1072778410 /nfs/dbraw/zinc/77/84/10/1072778410.db2.gz KVUYYEQIZKMAHL-FQEVSTJZSA-N 1 1 485.658 1.292 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001507718901 1072780922 /nfs/dbraw/zinc/78/09/22/1072780922.db2.gz VHNWHAZYRISWLW-UHFFFAOYSA-N 1 1 465.646 1.983 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001507718905 1072781124 /nfs/dbraw/zinc/78/11/24/1072781124.db2.gz VIKCCDCXKZKQPT-UHFFFAOYSA-N 1 1 476.423 1.902 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001507718905 1072781153 /nfs/dbraw/zinc/78/11/53/1072781153.db2.gz VIKCCDCXKZKQPT-UHFFFAOYSA-N 1 1 476.423 1.902 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001507718880 1072781327 /nfs/dbraw/zinc/78/13/27/1072781327.db2.gz ULWGWAJYAGHYKW-KRWDZBQOSA-N 1 1 476.423 1.522 20 30 JDEDMO C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001507720163 1072782837 /nfs/dbraw/zinc/78/28/37/1072782837.db2.gz SGQSFYGDIUFPEV-XUZZJYLKSA-N 1 1 460.623 1.042 20 30 JDEDMO C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001507720165 1072783172 /nfs/dbraw/zinc/78/31/72/1072783172.db2.gz SGQSFYGDIUFPEV-ZJSXRUAMSA-N 1 1 460.623 1.042 20 30 JDEDMO C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001507724597 1072792853 /nfs/dbraw/zinc/79/28/53/1072792853.db2.gz TXQLDNLBZJDWFH-NRFANRHFSA-N 1 1 453.610 1.789 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001507726176 1072794831 /nfs/dbraw/zinc/79/48/31/1072794831.db2.gz GWWDDJBEFXTIES-QFIPXVFZSA-N 1 1 452.603 1.889 20 30 JDEDMO C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001507731388 1072800385 /nfs/dbraw/zinc/80/03/85/1072800385.db2.gz HEPVAWSRFRJWJR-CPJSRVTESA-N 1 1 487.649 1.214 20 30 JDEDMO C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001507731437 1072800465 /nfs/dbraw/zinc/80/04/65/1072800465.db2.gz IRRIKQKFQGQPNU-HBMCJLEFSA-N 1 1 476.691 1.692 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001507731915 1072801039 /nfs/dbraw/zinc/80/10/39/1072801039.db2.gz DXHMDQMTMRJBNC-JOCHJYFZSA-N 1 1 452.603 1.768 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001507731997 1072801261 /nfs/dbraw/zinc/80/12/61/1072801261.db2.gz AKJSAXNXRMWXCV-WOJBJXKFSA-N 1 1 499.660 1.368 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001507733508 1072802611 /nfs/dbraw/zinc/80/26/11/1072802611.db2.gz BCYUXCOUPIDYAY-QGZVFWFLSA-N 1 1 464.574 1.374 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@H+](C)CCOC)CC1 ZINC001507735602 1072805661 /nfs/dbraw/zinc/80/56/61/1072805661.db2.gz ZDSGZGCGGHDMRL-UHFFFAOYSA-N 1 1 468.558 1.218 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001507737030 1072808021 /nfs/dbraw/zinc/80/80/21/1072808021.db2.gz XFXULXBKYOEULM-CJFMBICVSA-N 1 1 472.634 1.628 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001507737480 1072808480 /nfs/dbraw/zinc/80/84/80/1072808480.db2.gz ACLDNBRBDOVQNU-HXUWFJFHSA-N 1 1 452.607 1.765 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001507737181 1072808544 /nfs/dbraw/zinc/80/85/44/1072808544.db2.gz ZKHCITYZYZAHRZ-PZJWPPBQSA-N 1 1 471.650 1.700 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001507737929 1072809971 /nfs/dbraw/zinc/80/99/71/1072809971.db2.gz HEECWBFMFXZJAS-LJQANCHMSA-N 1 1 450.591 1.821 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001507738918 1072812002 /nfs/dbraw/zinc/81/20/02/1072812002.db2.gz HXFJLQCTXFIGGN-LJQANCHMSA-N 1 1 476.647 1.020 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2cc[nH+]c2C)CC1 ZINC001507739358 1072812917 /nfs/dbraw/zinc/81/29/17/1072812917.db2.gz APRFJICMCDLTGM-UHFFFAOYSA-N 1 1 494.625 1.831 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001507740321 1072815817 /nfs/dbraw/zinc/81/58/17/1072815817.db2.gz LMPPFBPWWLTCOP-NRFANRHFSA-N 1 1 469.634 1.631 20 30 JDEDMO C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001507750492 1072822654 /nfs/dbraw/zinc/82/26/54/1072822654.db2.gz WUYQCBMLEFGTGJ-UHFFFAOYSA-N 1 1 454.604 1.236 20 30 JDEDMO C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001507750492 1072822655 /nfs/dbraw/zinc/82/26/55/1072822655.db2.gz WUYQCBMLEFGTGJ-UHFFFAOYSA-N 1 1 454.604 1.236 20 30 JDEDMO C#CCSCCn1c(N2CC[C@@](C)([NH+]3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001507759088 1072826865 /nfs/dbraw/zinc/82/68/65/1072826865.db2.gz ZQBNRCDNAJFEOP-DHIUTWEWSA-N 1 1 463.648 1.986 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001507763314 1072827647 /nfs/dbraw/zinc/82/76/47/1072827647.db2.gz ADMUNLUGMMMBTE-BMQTXXJKSA-N 1 1 452.625 1.380 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001507772182 1072828901 /nfs/dbraw/zinc/82/89/01/1072828901.db2.gz IHYIJARHHICQOK-SELNLUPBSA-N 1 1 476.647 1.115 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001507772182 1072828908 /nfs/dbraw/zinc/82/89/08/1072828908.db2.gz IHYIJARHHICQOK-SELNLUPBSA-N 1 1 476.647 1.115 20 30 JDEDMO C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001507781475 1072831699 /nfs/dbraw/zinc/83/16/99/1072831699.db2.gz AAWDBSFLSHUNCJ-MSOLQXFVSA-N 1 1 475.391 1.993 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001507804100 1072839610 /nfs/dbraw/zinc/83/96/10/1072839610.db2.gz IKNVBISVNPODIK-OMZCGLGVSA-N 1 1 482.651 1.026 20 30 JDEDMO C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC[N@H+]1CC ZINC001507820462 1072842675 /nfs/dbraw/zinc/84/26/75/1072842675.db2.gz DMFMEDJZEXDHQK-RTBURBONSA-N 1 1 454.641 1.888 20 30 JDEDMO C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001507830601 1072844869 /nfs/dbraw/zinc/84/48/69/1072844869.db2.gz KZYRXGWOVZOIQQ-IBGZPJMESA-N 1 1 452.625 1.642 20 30 JDEDMO C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001507844972 1072848629 /nfs/dbraw/zinc/84/86/29/1072848629.db2.gz UIWQAVHKSOKGCE-FQEVSTJZSA-N 1 1 467.636 1.322 20 30 JDEDMO C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC001507853871 1072850603 /nfs/dbraw/zinc/85/06/03/1072850603.db2.gz GIDCNXXULHRIAT-DYXWJJEUSA-N 1 1 474.631 1.759 20 30 JDEDMO C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC001507853874 1072850835 /nfs/dbraw/zinc/85/08/35/1072850835.db2.gz GIDCNXXULHRIAT-SVFBPWRDSA-N 1 1 474.631 1.759 20 30 JDEDMO C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](CC)CCC)CC1 ZINC001507903702 1072855203 /nfs/dbraw/zinc/85/52/03/1072855203.db2.gz UCVPPAXPKGCOPU-IBGZPJMESA-N 1 1 454.641 1.745 20 30 JDEDMO C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)c1ccccc1 ZINC001507924298 1072856787 /nfs/dbraw/zinc/85/67/87/1072856787.db2.gz LDGBPLQTNJGLOD-TYPHKJRUSA-N 1 1 474.631 1.769 20 30 JDEDMO C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)c1ccccc1 ZINC001507924298 1072856789 /nfs/dbraw/zinc/85/67/89/1072856789.db2.gz LDGBPLQTNJGLOD-TYPHKJRUSA-N 1 1 474.631 1.769 20 30 JDEDMO C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)c1ccccc1 ZINC001507924295 1072856801 /nfs/dbraw/zinc/85/68/01/1072856801.db2.gz LDGBPLQTNJGLOD-CEWLAPEOSA-N 1 1 474.631 1.769 20 30 JDEDMO C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1)c1ccccc1 ZINC001507924295 1072856802 /nfs/dbraw/zinc/85/68/02/1072856802.db2.gz LDGBPLQTNJGLOD-CEWLAPEOSA-N 1 1 474.631 1.769 20 30 JDEDMO C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001507925590 1072857146 /nfs/dbraw/zinc/85/71/46/1072857146.db2.gz ILURGSQZEXXGIO-ROUUACIJSA-N 1 1 454.641 1.934 20 30 JDEDMO C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507925989 1072857228 /nfs/dbraw/zinc/85/72/28/1072857228.db2.gz NPDSEDZMMBNIBR-WSTZPKSXSA-N 1 1 481.667 1.233 20 30 JDEDMO C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001507935476 1072857833 /nfs/dbraw/zinc/85/78/33/1072857833.db2.gz QINRQBLQHICJHQ-FHWLQOOXSA-N 1 1 454.641 1.886 20 30 JDEDMO C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001507955346 1072860137 /nfs/dbraw/zinc/86/01/37/1072860137.db2.gz XEBOPQCFLZLBPY-SFHVURJKSA-N 1 1 454.641 1.888 20 30 JDEDMO C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001507966470 1072861575 /nfs/dbraw/zinc/86/15/75/1072861575.db2.gz YJORMGBAZGXEKX-OAQYLSRUSA-N 1 1 453.591 1.599 20 30 JDEDMO C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001507992870 1072864347 /nfs/dbraw/zinc/86/43/47/1072864347.db2.gz KIAAHHNEBOFXHT-OALUTQOASA-N 1 1 452.625 1.640 20 30 JDEDMO C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC001507992906 1072864403 /nfs/dbraw/zinc/86/44/03/1072864403.db2.gz KUKBXQSZASZRQR-MJGOQNOKSA-N 1 1 464.636 1.278 20 30 JDEDMO C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC001507992906 1072864407 /nfs/dbraw/zinc/86/44/07/1072864407.db2.gz KUKBXQSZASZRQR-MJGOQNOKSA-N 1 1 464.636 1.278 20 30 JDEDMO C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001507992872 1072864453 /nfs/dbraw/zinc/86/44/53/1072864453.db2.gz KIAAHHNEBOFXHT-RBUKOAKNSA-N 1 1 452.625 1.640 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001508071433 1072872264 /nfs/dbraw/zinc/87/22/64/1072872264.db2.gz CAFBFPKMQIUNQQ-UHFFFAOYSA-N 1 1 480.411 1.885 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001508071433 1072872266 /nfs/dbraw/zinc/87/22/66/1072872266.db2.gz CAFBFPKMQIUNQQ-UHFFFAOYSA-N 1 1 480.411 1.885 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001508075076 1072876175 /nfs/dbraw/zinc/87/61/75/1072876175.db2.gz SPAMPDQENKYVFC-HNNXBMFYSA-N 1 1 478.395 1.496 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001508083856 1072880852 /nfs/dbraw/zinc/88/08/52/1072880852.db2.gz DAOAJRWEFURASJ-PKOBYXMFSA-N 1 1 459.620 1.483 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001508083848 1072880875 /nfs/dbraw/zinc/88/08/75/1072880875.db2.gz DAOAJRWEFURASJ-HKUYNNGSSA-N 1 1 459.620 1.483 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001508083854 1072880936 /nfs/dbraw/zinc/88/09/36/1072880936.db2.gz DAOAJRWEFURASJ-MJGOQNOKSA-N 1 1 459.620 1.483 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001508090289 1072885755 /nfs/dbraw/zinc/88/57/55/1072885755.db2.gz GSOFZJNIOAJJCR-IFMALSPDSA-N 1 1 468.602 1.933 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001508092592 1072888194 /nfs/dbraw/zinc/88/81/94/1072888194.db2.gz DAHNLWLPVDINEF-FQEVSTJZSA-N 1 1 485.564 1.041 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001508093613 1072888876 /nfs/dbraw/zinc/88/88/76/1072888876.db2.gz JBNNZQFFHPNGQT-HSZRJFAPSA-N 1 1 458.538 1.599 20 30 JDEDMO C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001508099194 1072894038 /nfs/dbraw/zinc/89/40/38/1072894038.db2.gz VZIKEYMMHWEFLU-QKNQBKEWSA-N 1 1 460.623 1.800 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001508107637 1072895886 /nfs/dbraw/zinc/89/58/86/1072895886.db2.gz DLVVEODLLKMIMO-LEWJYISDSA-N 1 1 459.639 1.569 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508109483 1072896563 /nfs/dbraw/zinc/89/65/63/1072896563.db2.gz SJGZSFFPQQWYEK-UXHICEINSA-N 1 1 473.622 1.238 20 30 JDEDMO C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001508117433 1072897927 /nfs/dbraw/zinc/89/79/27/1072897927.db2.gz NVFSDVQABYCNKC-PGRDOPGGSA-N 1 1 461.588 1.197 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001508117429 1072897954 /nfs/dbraw/zinc/89/79/54/1072897954.db2.gz NVFSDVQABYCNKC-GCJKJVERSA-N 1 1 461.588 1.197 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001508117436 1072898044 /nfs/dbraw/zinc/89/80/44/1072898044.db2.gz NVFSDVQABYCNKC-XMSQKQJNSA-N 1 1 461.588 1.197 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001508122918 1072899179 /nfs/dbraw/zinc/89/91/79/1072899179.db2.gz HBFBNVHJOPLORF-NJDAHSKKSA-N 1 1 496.678 1.657 20 30 JDEDMO C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001508127672 1072900965 /nfs/dbraw/zinc/90/09/65/1072900965.db2.gz WCLOWAZOAPBYFW-SFTDATJTSA-N 1 1 496.678 1.657 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001508136986 1072910869 /nfs/dbraw/zinc/91/08/69/1072910869.db2.gz JVZPWVUXBVRBCW-IBGZPJMESA-N 1 1 475.615 1.713 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001508142982 1072918234 /nfs/dbraw/zinc/91/82/34/1072918234.db2.gz IFPVMQLGKVZMRF-HXUWFJFHSA-N 1 1 491.662 1.430 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001508142982 1072918238 /nfs/dbraw/zinc/91/82/38/1072918238.db2.gz IFPVMQLGKVZMRF-HXUWFJFHSA-N 1 1 491.662 1.430 20 30 JDEDMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001508184771 1072948577 /nfs/dbraw/zinc/94/85/77/1072948577.db2.gz CQDBKPZRQMWROF-WIYYLYMNSA-N 1 1 451.575 1.842 20 30 JDEDMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001508184771 1072948587 /nfs/dbraw/zinc/94/85/87/1072948587.db2.gz CQDBKPZRQMWROF-WIYYLYMNSA-N 1 1 451.575 1.842 20 30 JDEDMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001508190209 1072952025 /nfs/dbraw/zinc/95/20/25/1072952025.db2.gz ZFESBPCWEPHWTR-NRFANRHFSA-N 1 1 451.575 1.844 20 30 JDEDMO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001508231712 1072996679 /nfs/dbraw/zinc/99/66/79/1072996679.db2.gz IABOJYLVRWHBRW-GCJKJVERSA-N 1 1 499.641 1.240 20 30 JDEDMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001508231712 1072996684 /nfs/dbraw/zinc/99/66/84/1072996684.db2.gz IABOJYLVRWHBRW-GCJKJVERSA-N 1 1 499.641 1.240 20 30 JDEDMO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC001508259016 1073027758 /nfs/dbraw/zinc/02/77/58/1073027758.db2.gz INMDZFOKEQVZRW-PMACEKPBSA-N 1 1 481.601 1.754 20 30 JDEDMO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001508261308 1073029425 /nfs/dbraw/zinc/02/94/25/1073029425.db2.gz QUQSTCIJWQZIMU-UHFFFAOYSA-N 1 1 480.617 1.423 20 30 JDEDMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@H]2C)CC1 ZINC001508278071 1073052697 /nfs/dbraw/zinc/05/26/97/1073052697.db2.gz ZYYSLIYLGQWWBQ-GCJKJVERSA-N 1 1 465.602 1.967 20 30 JDEDMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@H]2C)CC1 ZINC001508278079 1073053274 /nfs/dbraw/zinc/05/32/74/1073053274.db2.gz ZYYSLIYLGQWWBQ-XMSQKQJNSA-N 1 1 465.602 1.967 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001508280629 1073060167 /nfs/dbraw/zinc/06/01/67/1073060167.db2.gz WOPSRPZWRNZBRD-FQEVSTJZSA-N 1 1 492.628 1.674 20 30 JDEDMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001508374739 1073157335 /nfs/dbraw/zinc/15/73/35/1073157335.db2.gz IHQZJHPHKRNGBG-PKTZIBPZSA-N 1 1 481.601 1.395 20 30 JDEDMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001508374742 1073157544 /nfs/dbraw/zinc/15/75/44/1073157544.db2.gz IHQZJHPHKRNGBG-XZOQPEGZSA-N 1 1 481.601 1.395 20 30 JDEDMO CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001508376784 1073165835 /nfs/dbraw/zinc/16/58/35/1073165835.db2.gz NCBKABSMIXYPLJ-UHFFFAOYSA-N 1 1 466.590 1.526 20 30 JDEDMO CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001508400856 1073211769 /nfs/dbraw/zinc/21/17/69/1073211769.db2.gz NBNLYNJHOCCQQY-LJQANCHMSA-N 1 1 481.601 1.944 20 30 JDEDMO C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001508428427 1073223027 /nfs/dbraw/zinc/22/30/27/1073223027.db2.gz VEEXFVPVMQFXSC-SQJMNOBHSA-N 1 1 466.634 1.305 20 30 JDEDMO C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001508428427 1073223041 /nfs/dbraw/zinc/22/30/41/1073223041.db2.gz VEEXFVPVMQFXSC-SQJMNOBHSA-N 1 1 466.634 1.305 20 30 JDEDMO CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001508623565 1073290628 /nfs/dbraw/zinc/29/06/28/1073290628.db2.gz MCLDHWMBRKIATB-LJQANCHMSA-N 1 1 467.574 1.554 20 30 JDEDMO CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001508623565 1073290634 /nfs/dbraw/zinc/29/06/34/1073290634.db2.gz MCLDHWMBRKIATB-LJQANCHMSA-N 1 1 467.574 1.554 20 30 JDEDMO CC(C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001508871932 1073431887 /nfs/dbraw/zinc/43/18/87/1073431887.db2.gz HCLNZNBXUFEGJV-FGZHOGPDSA-N 1 1 454.575 1.985 20 30 JDEDMO CC(C)Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001509188179 1073522201 /nfs/dbraw/zinc/52/22/01/1073522201.db2.gz ZCOGBQWXKWWHAO-NRFANRHFSA-N 1 1 480.617 1.954 20 30 JDEDMO CC(C)Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001509188179 1073522216 /nfs/dbraw/zinc/52/22/16/1073522216.db2.gz ZCOGBQWXKWWHAO-NRFANRHFSA-N 1 1 480.617 1.954 20 30 JDEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001509406001 1073585619 /nfs/dbraw/zinc/58/56/19/1073585619.db2.gz GGSPKQADQZDXTM-SLFFLAALSA-N 1 1 481.667 1.717 20 30 JDEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001509406941 1073586247 /nfs/dbraw/zinc/58/62/47/1073586247.db2.gz IGKOXVMMXSPHAU-IPMKNSEASA-N 1 1 450.609 1.277 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001509432375 1073611039 /nfs/dbraw/zinc/61/10/39/1073611039.db2.gz HEVLPERXOKTVJM-NRFANRHFSA-N 1 1 451.575 1.875 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001509438661 1073619985 /nfs/dbraw/zinc/61/99/85/1073619985.db2.gz ZERJXKUDRNVJQY-RXVVDRJESA-N 1 1 451.575 1.840 20 30 JDEDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001509513075 1073658351 /nfs/dbraw/zinc/65/83/51/1073658351.db2.gz PJKFOQUWAKHASR-XMMPIXPASA-N 1 1 486.642 1.923 20 30 JDEDMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001509518851 1073663371 /nfs/dbraw/zinc/66/33/71/1073663371.db2.gz RHURHZCRZZLTNX-NRFANRHFSA-N 1 1 489.646 1.849 20 30 JDEDMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001509580453 1073701543 /nfs/dbraw/zinc/70/15/43/1073701543.db2.gz WIMREGXWDGCURT-LJQANCHMSA-N 1 1 453.595 1.762 20 30 JDEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164868974 721268475 /nfs/dbraw/zinc/26/84/75/721268475.db2.gz HWTHZSJVKBGZEW-UHFFFAOYSA-N 1 1 463.966 1.790 20 30 JDEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001500928667 1069332002 /nfs/dbraw/zinc/33/20/02/1069332002.db2.gz WLIPUZZMMVLYMK-LJQANCHMSA-N 1 1 457.604 1.630 20 30 JDEDMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001500954984 1069339251 /nfs/dbraw/zinc/33/92/51/1069339251.db2.gz JYLKSRNZUKZGCV-FQEVSTJZSA-N 1 1 466.590 1.922 20 30 JDEDMO CCC[N@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC001500958449 1069340238 /nfs/dbraw/zinc/34/02/38/1069340238.db2.gz RXQKZZXPAAXNAH-MOPGFXCFSA-N 1 1 453.595 1.923 20 30 JDEDMO CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc2c1=O ZINC001501069603 1069374102 /nfs/dbraw/zinc/37/41/02/1069374102.db2.gz MBTGEGQGHHOCHM-BXKMTCNYSA-N 1 1 464.574 1.727 20 30 JDEDMO CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CC[N@@H+](C)C2)c2ccccc2c1=O ZINC001501069606 1069374385 /nfs/dbraw/zinc/37/43/85/1069374385.db2.gz MBTGEGQGHHOCHM-XDHUDOTRSA-N 1 1 464.574 1.727 20 30 JDEDMO CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001501165112 1069424953 /nfs/dbraw/zinc/42/49/53/1069424953.db2.gz YVHOSCRWZUEBBV-OAQYLSRUSA-N 1 1 478.601 1.729 20 30 JDEDMO CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001501218781 1069466341 /nfs/dbraw/zinc/46/63/41/1069466341.db2.gz WBIQKRINSXNLLQ-NQIIRXRSSA-N 1 1 467.574 1.412 20 30 JDEDMO CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001501406719 1069512682 /nfs/dbraw/zinc/51/26/82/1069512682.db2.gz GEACAEGJZTVHES-GOSISDBHSA-N 1 1 451.575 1.985 20 30 JDEDMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 ZINC001501495805 1069541545 /nfs/dbraw/zinc/54/15/45/1069541545.db2.gz PGNUNHYGCHUZNA-WOJBJXKFSA-N 1 1 458.588 1.409 20 30 JDEDMO CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC[N@@H+](C)CCCOC)CCN2C1=O ZINC001502214971 1069876084 /nfs/dbraw/zinc/87/60/84/1069876084.db2.gz KVMLEKZSLPZELW-HXUWFJFHSA-N 1 1 480.573 1.258 20 30 JDEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001502248867 1069929430 /nfs/dbraw/zinc/92/94/30/1069929430.db2.gz CSHLVLIKXORWDI-ROUUACIJSA-N 1 1 472.615 1.675 20 30 JDEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C ZINC001502252446 1069935856 /nfs/dbraw/zinc/93/58/56/1069935856.db2.gz YCAKDJBCORENAE-ZWKOTPCHSA-N 1 1 498.613 1.843 20 30 JDEDMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001502271474 1069994235 /nfs/dbraw/zinc/99/42/35/1069994235.db2.gz GDRYQYRNAMEJDY-VGOFRKELSA-N 1 1 475.594 1.979 20 30 JDEDMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001502272697 1069998541 /nfs/dbraw/zinc/99/85/41/1069998541.db2.gz AQKQXYGFCIOMBB-HXUWFJFHSA-N 1 1 450.591 1.369 20 30 JDEDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 ZINC001502295787 1070036852 /nfs/dbraw/zinc/03/68/52/1070036852.db2.gz YTQRVOPQIFAXMR-NRFANRHFSA-N 1 1 451.575 1.986 20 30 JDEDMO CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001502303758 1070052620 /nfs/dbraw/zinc/05/26/20/1070052620.db2.gz KHMCIUVGJGQAFE-UHFFFAOYSA-N 1 1 464.574 1.039 20 30 JDEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502310484 1070074712 /nfs/dbraw/zinc/07/47/12/1070074712.db2.gz AFDYRRSWRKFQAX-WIYYLYMNSA-N 1 1 450.591 1.544 20 30 JDEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502310604 1070075091 /nfs/dbraw/zinc/07/50/91/1070075091.db2.gz CKIWBIQETHSZFF-XXBNENTESA-N 1 1 480.617 1.184 20 30 JDEDMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001502312242 1070083587 /nfs/dbraw/zinc/08/35/87/1070083587.db2.gz IWIZAWQOIZIFMH-NQIIRXRSSA-N 1 1 450.591 1.763 20 30 JDEDMO CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001502334856 1070189837 /nfs/dbraw/zinc/18/98/37/1070189837.db2.gz TXOZLMWSJYNQKD-NRFANRHFSA-N 1 1 450.591 1.511 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502340884 1070222911 /nfs/dbraw/zinc/22/29/11/1070222911.db2.gz KOOMPUQFJYLQKN-DFBJGRDBSA-N 1 1 464.618 1.792 20 30 JDEDMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001493168367 1070229698 /nfs/dbraw/zinc/22/96/98/1070229698.db2.gz DKVJOBWJKCQHDV-RXVVDRJESA-N 1 1 478.601 1.426 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502345802 1070253162 /nfs/dbraw/zinc/25/31/62/1070253162.db2.gz FSONTMIBCNYIEL-NRFANRHFSA-N 1 1 494.644 1.671 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502346858 1070258542 /nfs/dbraw/zinc/25/85/42/1070258542.db2.gz PIJJFCWPSOTHKP-PXNSSMCTSA-N 1 1 458.636 1.636 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502346860 1070258630 /nfs/dbraw/zinc/25/86/30/1070258630.db2.gz PIJJFCWPSOTHKP-YLJYHZDGSA-N 1 1 458.636 1.636 20 30 JDEDMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502348835 1070263845 /nfs/dbraw/zinc/26/38/45/1070263845.db2.gz DSNPIZKHFYNXAB-HXUWFJFHSA-N 1 1 464.618 1.901 20 30 JDEDMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 ZINC001502349017 1070264006 /nfs/dbraw/zinc/26/40/06/1070264006.db2.gz KJVNOSADFDUIOF-GOSISDBHSA-N 1 1 466.656 1.046 20 30 JDEDMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502348834 1070264395 /nfs/dbraw/zinc/26/43/95/1070264395.db2.gz DSNPIZKHFYNXAB-FQEVSTJZSA-N 1 1 464.618 1.901 20 30 JDEDMO CCN1CC[NH+](CCCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001502355935 1070287068 /nfs/dbraw/zinc/28/70/68/1070287068.db2.gz CTNZKWFJTZPGBD-IBGZPJMESA-N 1 1 477.617 1.815 20 30 JDEDMO CCN1CC[NH+](CCCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001502355936 1070287707 /nfs/dbraw/zinc/28/77/07/1070287707.db2.gz CTNZKWFJTZPGBD-LJQANCHMSA-N 1 1 477.617 1.815 20 30 JDEDMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001493786618 1070344562 /nfs/dbraw/zinc/34/45/62/1070344562.db2.gz XSMNARFEGJDEGW-SVFBPWRDSA-N 1 1 492.694 1.577 20 30 JDEDMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001493792685 1070345607 /nfs/dbraw/zinc/34/56/07/1070345607.db2.gz MORNKLSXQXHVFZ-WOIUINJBSA-N 1 1 497.641 1.565 20 30 JDEDMO C[C@H]1CCC[N@@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001493808747 1070354234 /nfs/dbraw/zinc/35/42/34/1070354234.db2.gz LQTZRQIVPSKXBS-NRFANRHFSA-N 1 1 494.644 1.671 20 30 JDEDMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001493843252 1070357447 /nfs/dbraw/zinc/35/74/47/1070357447.db2.gz OEVUOETUJAYBLX-QGZVFWFLSA-N 1 1 457.604 1.819 20 30 JDEDMO C[C@H]1CCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001493853437 1070362195 /nfs/dbraw/zinc/36/21/95/1070362195.db2.gz ILIFYUKHFKTPFA-SFHVURJKSA-N 1 1 487.630 1.731 20 30 JDEDMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001502472631 1070537440 /nfs/dbraw/zinc/53/74/40/1070537440.db2.gz YVLTYAIDVJGYBT-FQEVSTJZSA-N 1 1 487.630 1.446 20 30 JDEDMO C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001494481090 1070600263 /nfs/dbraw/zinc/60/02/63/1070600263.db2.gz ZBEAVTCTMXJHDK-PZJWPPBQSA-N 1 1 481.601 1.633 20 30 JDEDMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494518006 1070609012 /nfs/dbraw/zinc/60/90/12/1070609012.db2.gz GKMMTENONWVVBV-QZTJIDSGSA-N 1 1 467.640 1.519 20 30 JDEDMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001494518009 1070609344 /nfs/dbraw/zinc/60/93/44/1070609344.db2.gz GKMMTENONWVVBV-ROUUACIJSA-N 1 1 467.640 1.519 20 30 JDEDMO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C[C@H](C)O1 ZINC001494520857 1070613910 /nfs/dbraw/zinc/61/39/10/1070613910.db2.gz WPIVOCYJMPMACR-GBESFXJTSA-N 1 1 451.575 1.983 20 30 JDEDMO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CCCO1 ZINC001494522526 1070615032 /nfs/dbraw/zinc/61/50/32/1070615032.db2.gz DVGYXHGTXYIAJZ-GOSISDBHSA-N 1 1 460.604 1.798 20 30 JDEDMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001502525640 1070643695 /nfs/dbraw/zinc/64/36/95/1070643695.db2.gz XANBIQBBBAPOBY-WMZHIEFXSA-N 1 1 453.547 1.598 20 30 JDEDMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494592087 1070646619 /nfs/dbraw/zinc/64/66/19/1070646619.db2.gz NLLJGSHYPDTHTA-SFHVURJKSA-N 1 1 487.630 1.398 20 30 JDEDMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494592087 1070646625 /nfs/dbraw/zinc/64/66/25/1070646625.db2.gz NLLJGSHYPDTHTA-SFHVURJKSA-N 1 1 487.630 1.398 20 30 JDEDMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494592084 1070646690 /nfs/dbraw/zinc/64/66/90/1070646690.db2.gz NLLJGSHYPDTHTA-GOSISDBHSA-N 1 1 487.630 1.398 20 30 JDEDMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494592084 1070646696 /nfs/dbraw/zinc/64/66/96/1070646696.db2.gz NLLJGSHYPDTHTA-GOSISDBHSA-N 1 1 487.630 1.398 20 30 JDEDMO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001502534263 1070657961 /nfs/dbraw/zinc/65/79/61/1070657961.db2.gz CSACILAHDXUHGN-DVECYGJZSA-N 1 1 483.573 1.510 20 30 JDEDMO COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001504041656 1070800862 /nfs/dbraw/zinc/80/08/62/1070800862.db2.gz JTPFCMKAYQWSAR-OAQYLSRUSA-N 1 1 481.601 1.897 20 30 JDEDMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001496187131 1070833370 /nfs/dbraw/zinc/83/33/70/1070833370.db2.gz FLVGBWLDDKCYOZ-SFHVURJKSA-N 1 1 494.600 1.980 20 30 JDEDMO CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001502729930 1070840637 /nfs/dbraw/zinc/84/06/37/1070840637.db2.gz UCJYMHJDHBXOJF-ISJRUSPKSA-N 1 1 462.595 1.547 20 30 JDEDMO CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001502729930 1070840638 /nfs/dbraw/zinc/84/06/38/1070840638.db2.gz UCJYMHJDHBXOJF-ISJRUSPKSA-N 1 1 462.595 1.547 20 30 JDEDMO CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC001502803814 1070859532 /nfs/dbraw/zinc/85/95/32/1070859532.db2.gz FBUVDFIDUHJDAB-DEOSSOPVSA-N 1 1 485.564 1.958 20 30 JDEDMO CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC001502803815 1070859666 /nfs/dbraw/zinc/85/96/66/1070859666.db2.gz FBUVDFIDUHJDAB-XMMPIXPASA-N 1 1 485.564 1.958 20 30 JDEDMO COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1OC ZINC001504201860 1070882236 /nfs/dbraw/zinc/88/22/36/1070882236.db2.gz BPUPHRQBRFXXBH-NRFANRHFSA-N 1 1 483.617 1.965 20 30 JDEDMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 ZINC001503226170 1071195817 /nfs/dbraw/zinc/19/58/17/1071195817.db2.gz STXPIIDEIUSQCT-OAQYLSRUSA-N 1 1 456.547 1.303 20 30 JDEDMO COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504586795 1071420580 /nfs/dbraw/zinc/42/05/80/1071420580.db2.gz BMKZGEAEFGEWJF-VQTJNVASSA-N 1 1 453.547 1.084 20 30 JDEDMO CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001503282133 1071435013 /nfs/dbraw/zinc/43/50/13/1071435013.db2.gz NDMRUZNPZRSVPC-UHFFFAOYSA-N 1 1 495.613 1.258 20 30 JDEDMO COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001504599547 1071450357 /nfs/dbraw/zinc/45/03/57/1071450357.db2.gz GMTAHUGKYBKNKX-OAQYLSRUSA-N 1 1 469.565 1.936 20 30 JDEDMO COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001504599547 1071450378 /nfs/dbraw/zinc/45/03/78/1071450378.db2.gz GMTAHUGKYBKNKX-OAQYLSRUSA-N 1 1 469.565 1.936 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001503359826 1071571313 /nfs/dbraw/zinc/57/13/13/1071571313.db2.gz NXWINJQXEXOZCC-LEWJYISDSA-N 1 1 499.641 1.383 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001503359826 1071571331 /nfs/dbraw/zinc/57/13/31/1071571331.db2.gz NXWINJQXEXOZCC-LEWJYISDSA-N 1 1 499.641 1.383 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001503361205 1071575703 /nfs/dbraw/zinc/57/57/03/1071575703.db2.gz SYEUGIYEZBNUAJ-UZUQRXQVSA-N 1 1 483.552 1.310 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001503359836 1071572311 /nfs/dbraw/zinc/57/23/11/1071572311.db2.gz NXWINJQXEXOZCC-SFTDATJTSA-N 1 1 499.641 1.383 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001503359836 1071572324 /nfs/dbraw/zinc/57/23/24/1071572324.db2.gz NXWINJQXEXOZCC-SFTDATJTSA-N 1 1 499.641 1.383 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001503360214 1071573350 /nfs/dbraw/zinc/57/33/50/1071573350.db2.gz PFGAVEOJBBRAGT-YADARESESA-N 1 1 470.622 1.587 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001503360725 1071573945 /nfs/dbraw/zinc/57/39/45/1071573945.db2.gz QZQCKRRPDYEPRV-IUKKYPGJSA-N 1 1 456.595 1.302 20 30 JDEDMO CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001503363941 1071587073 /nfs/dbraw/zinc/58/70/73/1071587073.db2.gz AAXLOVLYNGVUJI-OAQYLSRUSA-N 1 1 478.601 1.428 20 30 JDEDMO COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001504734971 1071608530 /nfs/dbraw/zinc/60/85/30/1071608530.db2.gz JGCQRQMZGRGLGB-NRFANRHFSA-N 1 1 470.574 1.691 20 30 JDEDMO COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001504734971 1071608534 /nfs/dbraw/zinc/60/85/34/1071608534.db2.gz JGCQRQMZGRGLGB-NRFANRHFSA-N 1 1 470.574 1.691 20 30 JDEDMO CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001503377067 1071626042 /nfs/dbraw/zinc/62/60/42/1071626042.db2.gz JUDNAIUYWKJXTA-QHCPKHFHSA-N 1 1 494.644 1.264 20 30 JDEDMO C[NH+](C)CCN1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001503399805 1071660549 /nfs/dbraw/zinc/66/05/49/1071660549.db2.gz VHIBYEABRQXCSK-LJQANCHMSA-N 1 1 458.998 1.996 20 30 JDEDMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001503408039 1071689210 /nfs/dbraw/zinc/68/92/10/1071689210.db2.gz ARELSPPHWMAUDL-QFIPXVFZSA-N 1 1 473.578 1.899 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001504849163 1071745776 /nfs/dbraw/zinc/74/57/76/1071745776.db2.gz QDCMADAWGYJVFO-HSZRJFAPSA-N 1 1 472.615 1.800 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001504853714 1071759010 /nfs/dbraw/zinc/75/90/10/1071759010.db2.gz ACOXFNJVLURBRQ-NRFANRHFSA-N 1 1 451.575 1.986 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001504855112 1071765057 /nfs/dbraw/zinc/76/50/57/1071765057.db2.gz NDEISDVLPZYPSK-UHFFFAOYSA-N 1 1 463.542 1.950 20 30 JDEDMO COCC[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N ZINC001504857429 1071776332 /nfs/dbraw/zinc/77/63/32/1071776332.db2.gz LDJXBKBTNUPJGP-ZWKOTPCHSA-N 1 1 465.599 1.903 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(CC#N)CC1 ZINC001504858060 1071781574 /nfs/dbraw/zinc/78/15/74/1071781574.db2.gz WLQBLHHMGQEKRP-UHFFFAOYSA-N 1 1 464.574 1.900 20 30 JDEDMO COCC[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001504859203 1071786992 /nfs/dbraw/zinc/78/69/92/1071786992.db2.gz WDKDJNDRZKNBBS-LJQANCHMSA-N 1 1 453.547 1.118 20 30 JDEDMO COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504873149 1071805864 /nfs/dbraw/zinc/80/58/64/1071805864.db2.gz BUSDFPJODZYMMI-IBGZPJMESA-N 1 1 462.558 1.980 20 30 JDEDMO COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504873149 1071805865 /nfs/dbraw/zinc/80/58/65/1071805865.db2.gz BUSDFPJODZYMMI-IBGZPJMESA-N 1 1 462.558 1.980 20 30 JDEDMO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCOCC2)C1 ZINC001504932698 1071943893 /nfs/dbraw/zinc/94/38/93/1071943893.db2.gz XGIQIEZYBKGCQH-OFNKIYASSA-N 1 1 495.628 1.907 20 30 JDEDMO COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001504936874 1071963824 /nfs/dbraw/zinc/96/38/24/1071963824.db2.gz WVCAAPCUZCTZDY-UHFFFAOYSA-N 1 1 495.628 1.907 20 30 JDEDMO C[N@H+]1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001503681485 1072013432 /nfs/dbraw/zinc/01/34/32/1072013432.db2.gz UAQMXFZRKNTJGY-PXNSSMCTSA-N 1 1 466.464 1.563 20 30 JDEDMO C[N@H+]1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001503681492 1072013446 /nfs/dbraw/zinc/01/34/46/1072013446.db2.gz UAQMXFZRKNTJGY-YLJYHZDGSA-N 1 1 466.464 1.563 20 30 JDEDMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001503677238 1072010679 /nfs/dbraw/zinc/01/06/79/1072010679.db2.gz GADSXDBHOIQFOZ-DYESRHJHSA-N 1 1 477.491 1.388 20 30 JDEDMO COCCO[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001504983095 1072033192 /nfs/dbraw/zinc/03/31/92/1072033192.db2.gz JFWIUAKEACZPMP-NLFFAJNJSA-N 1 1 483.617 1.657 20 30 JDEDMO CS(=O)(=O)CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001505129281 1072294002 /nfs/dbraw/zinc/29/40/02/1072294002.db2.gz FINSTXMSEWDRSO-NRFANRHFSA-N 1 1 499.641 1.638 20 30 JDEDMO CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001505140526 1072345069 /nfs/dbraw/zinc/34/50/69/1072345069.db2.gz XKIKHKVIZVGDBL-NRFANRHFSA-N 1 1 487.630 1.135 20 30 JDEDMO CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001505144193 1072364162 /nfs/dbraw/zinc/36/41/62/1072364162.db2.gz VFSVJZXJDRFVGT-OAQYLSRUSA-N 1 1 499.641 1.756 20 30 JDEDMO O=C(NCCNC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1N=CC=CC1=O ZINC001468616181 1068326264 /nfs/dbraw/zinc/32/62/64/1068326264.db2.gz YWEMAJUZDHQIPB-LPNGOHTBSA-N 1 1 452.559 1.115 20 30 JDEDMO C=CC[C@]1(C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)CCCN1C(=O)OC(C)(C)C ZINC001468667789 1068341622 /nfs/dbraw/zinc/34/16/22/1068341622.db2.gz BMELPDLRJPMATM-WZONZLPQSA-N 1 1 452.596 1.628 20 30 JDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001471337143 1068855846 /nfs/dbraw/zinc/85/58/46/1068855846.db2.gz NKVOOMCZKVKTTP-FQEVSTJZSA-N 1 1 455.584 1.738 20 30 JDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001471337143 1068855847 /nfs/dbraw/zinc/85/58/47/1068855847.db2.gz NKVOOMCZKVKTTP-FQEVSTJZSA-N 1 1 455.584 1.738 20 30 JDEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 ZINC001471833227 1068915524 /nfs/dbraw/zinc/91/55/24/1068915524.db2.gz SKYFCXCCNXOMKU-IBGZPJMESA-N 1 1 451.384 1.920 20 30 JDEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 ZINC001471833227 1068915534 /nfs/dbraw/zinc/91/55/34/1068915534.db2.gz SKYFCXCCNXOMKU-IBGZPJMESA-N 1 1 451.384 1.920 20 30 JDEDMO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001499328516 1068984191 /nfs/dbraw/zinc/98/41/91/1068984191.db2.gz HIHOLNZOJMGBGU-FQEVSTJZSA-N 1 1 467.574 1.554 20 30 JDEDMO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001499328516 1068984209 /nfs/dbraw/zinc/98/42/09/1068984209.db2.gz HIHOLNZOJMGBGU-FQEVSTJZSA-N 1 1 467.574 1.554 20 30 JDEDMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1CCOC ZINC001499650942 1069027304 /nfs/dbraw/zinc/02/73/04/1069027304.db2.gz GGYPJAOUVHBUNX-NRTINQSCSA-N 1 1 459.595 1.649 20 30 JDEDMO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001499697059 1069044274 /nfs/dbraw/zinc/04/42/74/1069044274.db2.gz MMCWAUONHOKRSS-PZJWPPBQSA-N 1 1 451.575 1.888 20 30 JDEDMO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC[N@H+]1CCOC ZINC001499696336 1069044497 /nfs/dbraw/zinc/04/44/97/1069044497.db2.gz HQOGDYVXWYWWJA-RDPSFJRHSA-N 1 1 451.575 1.842 20 30 JDEDMO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1CCOC ZINC001499700896 1069045349 /nfs/dbraw/zinc/04/53/49/1069045349.db2.gz MAWFGSQGDGAAPL-HXUWFJFHSA-N 1 1 475.619 1.255 20 30 JDEDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cn1 ZINC001473702642 1069211093 /nfs/dbraw/zinc/21/10/93/1069211093.db2.gz LUAGFJMWZAYJCF-OALUTQOASA-N 1 1 455.588 1.085 20 30 JDEDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cn1 ZINC001473702642 1069211113 /nfs/dbraw/zinc/21/11/13/1069211113.db2.gz LUAGFJMWZAYJCF-OALUTQOASA-N 1 1 455.588 1.085 20 30 JDEDMO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC001473743229 1069217640 /nfs/dbraw/zinc/21/76/40/1069217640.db2.gz FEWYGLMGYSSSHV-KURKYZTESA-N 1 1 460.535 1.157 20 30 JDEDMO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC001473743229 1069217650 /nfs/dbraw/zinc/21/76/50/1069217650.db2.gz FEWYGLMGYSSSHV-KURKYZTESA-N 1 1 460.535 1.157 20 30 JDEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@H]2C(=O)NCC23CCOCC3)c1C#N ZINC001473831117 1069229688 /nfs/dbraw/zinc/22/96/88/1069229688.db2.gz YLXFPNALFPYAKO-NRFANRHFSA-N 1 1 453.518 1.987 20 30 JDEDMO CCCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001500410558 1069245884 /nfs/dbraw/zinc/24/58/84/1069245884.db2.gz KPZCIJRCKTYKCC-UHFFFAOYSA-N 1 1 452.607 1.759 20 30 JDEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001500532273 1069259122 /nfs/dbraw/zinc/25/91/22/1069259122.db2.gz PWUVCHZUHUQDPI-CEWLAPEOSA-N 1 1 492.694 1.719 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001507522895 1072596072 /nfs/dbraw/zinc/59/60/72/1072596072.db2.gz YSQRNAHHGFUREH-ICSRJNTNSA-N 1 1 474.631 1.500 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001507526050 1072596117 /nfs/dbraw/zinc/59/61/17/1072596117.db2.gz AGHCBNDFQHMREO-QGZVFWFLSA-N 1 1 459.620 1.807 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001507522894 1072596282 /nfs/dbraw/zinc/59/62/82/1072596282.db2.gz YSQRNAHHGFUREH-AZUAARDMSA-N 1 1 474.631 1.500 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC[NH+]2CCN(CC)CC2)c1 ZINC001507550540 1072611969 /nfs/dbraw/zinc/61/19/69/1072611969.db2.gz MHNJULOJKLZEPN-JOCHJYFZSA-N 1 1 479.629 1.866 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001507550352 1072612073 /nfs/dbraw/zinc/61/20/73/1072612073.db2.gz YEFDCCMZHFCULO-SFHVURJKSA-N 1 1 462.558 1.456 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001507550352 1072612092 /nfs/dbraw/zinc/61/20/92/1072612092.db2.gz YEFDCCMZHFCULO-SFHVURJKSA-N 1 1 462.558 1.456 20 30 JDEDMO C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[N@@H+]1CCCC ZINC001507616714 1072640347 /nfs/dbraw/zinc/64/03/47/1072640347.db2.gz MQZQCAPLHGJZAK-RBUKOAKNSA-N 1 1 452.625 1.335 20 30 JDEDMO C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001507616961 1072641146 /nfs/dbraw/zinc/64/11/46/1072641146.db2.gz QAZYFRFJMLFHIC-RTWAWAEBSA-N 1 1 472.615 1.345 20 30 JDEDMO C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507623124 1072650230 /nfs/dbraw/zinc/65/02/30/1072650230.db2.gz RTKFUQDZOHPOKG-WOJBJXKFSA-N 1 1 478.663 1.411 20 30 JDEDMO C#CCN(c1nnc(C(C)(C)C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507623665 1072652891 /nfs/dbraw/zinc/65/28/91/1072652891.db2.gz VHQBWIQHZXWCBT-OALUTQOASA-N 1 1 478.663 1.145 20 30 JDEDMO C#CCN(c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507623665 1072652901 /nfs/dbraw/zinc/65/29/01/1072652901.db2.gz VHQBWIQHZXWCBT-OALUTQOASA-N 1 1 478.663 1.145 20 30 JDEDMO C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[N@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001507627813 1072667182 /nfs/dbraw/zinc/66/71/82/1072667182.db2.gz FZJUMPTWZAHORF-WOJBJXKFSA-N 1 1 487.626 1.427 20 30 JDEDMO C#CCN(c1nnc(Cc2ccccc2OC)n1CC[N@H+]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001507633142 1072701264 /nfs/dbraw/zinc/70/12/64/1072701264.db2.gz BRZGDLHPZFMDKV-FPOVZHCZSA-N 1 1 471.627 1.989 20 30 JDEDMO C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[N@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507634813 1072709570 /nfs/dbraw/zinc/70/95/70/1072709570.db2.gz NLBPEUDYVFOXQC-TZIWHRDSSA-N 1 1 456.616 1.623 20 30 JDEDMO C#CCN(c1nnc(COc2ccccc2OC)n1CC[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507636727 1072715587 /nfs/dbraw/zinc/71/55/87/1072715587.db2.gz CTLNNJFVLDYTID-IBGZPJMESA-N 1 1 473.599 1.588 20 30 JDEDMO C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001507637146 1072716247 /nfs/dbraw/zinc/71/62/47/1072716247.db2.gz IFRCFPJRLMKFAZ-NMLBUPMWSA-N 1 1 465.620 1.113 20 30 JDEDMO C#CCN(c1nnc(CCc2ccccc2)n1CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507639006 1072724139 /nfs/dbraw/zinc/72/41/39/1072724139.db2.gz IQFFUTVCRUIYOC-QHCPKHFHSA-N 1 1 498.697 1.716 20 30 JDEDMO C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[N@H+](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507640058 1072730028 /nfs/dbraw/zinc/73/00/28/1072730028.db2.gz OIQPREOXMNVZRQ-WOJBJXKFSA-N 1 1 459.620 1.108 20 30 JDEDMO C#CCN(c1nnc(COc2cccc(C)c2)n1CCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001507640369 1072731034 /nfs/dbraw/zinc/73/10/34/1072731034.db2.gz QOIIAOOBFCKYPG-FQEVSTJZSA-N 1 1 468.583 1.997 20 30 JDEDMO C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001507640401 1072731076 /nfs/dbraw/zinc/73/10/76/1072731076.db2.gz RPFLTMPTGHDTCU-NRFANRHFSA-N 1 1 493.593 1.951 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001507653848 1072745458 /nfs/dbraw/zinc/74/54/58/1072745458.db2.gz RTADQFXIDROOFT-QFIPXVFZSA-N 1 1 451.596 1.701 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001507653848 1072745478 /nfs/dbraw/zinc/74/54/78/1072745478.db2.gz RTADQFXIDROOFT-QFIPXVFZSA-N 1 1 451.596 1.701 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001507660458 1072749978 /nfs/dbraw/zinc/74/99/78/1072749978.db2.gz UPLIDZVEIVDYEY-GGAORHGYSA-N 1 1 498.653 1.642 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001507662220 1072751238 /nfs/dbraw/zinc/75/12/38/1072751238.db2.gz FYFASRNDAGKGNA-NRFANRHFSA-N 1 1 469.611 1.658 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H]1CCC[N@H+]1CCCO ZINC001507667283 1072753316 /nfs/dbraw/zinc/75/33/16/1072753316.db2.gz LNPVFVQFWYSVLO-HXUWFJFHSA-N 1 1 473.581 1.502 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001507670136 1072755161 /nfs/dbraw/zinc/75/51/61/1072755161.db2.gz YANLCODOAAMJCJ-ZEQRLZLVSA-N 1 1 495.649 1.648 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001507670134 1072755284 /nfs/dbraw/zinc/75/52/84/1072755284.db2.gz YANLCODOAAMJCJ-DNQXCXABSA-N 1 1 495.649 1.648 20 30 JDEDMO C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001507670400 1072755826 /nfs/dbraw/zinc/75/58/26/1072755826.db2.gz KKDLYPSELIBDDT-DEOSSOPVSA-N 1 1 450.612 1.935 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001507670924 1072756500 /nfs/dbraw/zinc/75/65/00/1072756500.db2.gz DXASJAFWJNHOGL-ACRUOGEOSA-N 1 1 476.647 1.194 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001507679886 1072758862 /nfs/dbraw/zinc/75/88/62/1072758862.db2.gz SRBNSHCWHCCQEE-RBUKOAKNSA-N 1 1 474.631 1.617 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001507679886 1072758880 /nfs/dbraw/zinc/75/88/80/1072758880.db2.gz SRBNSHCWHCCQEE-RBUKOAKNSA-N 1 1 474.631 1.617 20 30 JDEDMO C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001507679885 1072758997 /nfs/dbraw/zinc/75/89/97/1072758997.db2.gz SRBNSHCWHCCQEE-OALUTQOASA-N 1 1 474.631 1.617 20 30 JDEDMO C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001507679885 1072759008 /nfs/dbraw/zinc/75/90/08/1072759008.db2.gz SRBNSHCWHCCQEE-OALUTQOASA-N 1 1 474.631 1.617 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001507679887 1072759106 /nfs/dbraw/zinc/75/91/06/1072759106.db2.gz SRBNSHCWHCCQEE-RTBURBONSA-N 1 1 474.631 1.617 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001507679887 1072759115 /nfs/dbraw/zinc/75/91/15/1072759115.db2.gz SRBNSHCWHCCQEE-RTBURBONSA-N 1 1 474.631 1.617 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001507688487 1072760475 /nfs/dbraw/zinc/76/04/75/1072760475.db2.gz BMJDVZYEJWBTAB-VQTJNVASSA-N 1 1 466.652 1.439 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001507690394 1072761819 /nfs/dbraw/zinc/76/18/19/1072761819.db2.gz SGWBYLYPVWIULM-RTWAWAEBSA-N 1 1 457.600 1.255 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001507690394 1072761835 /nfs/dbraw/zinc/76/18/35/1072761835.db2.gz SGWBYLYPVWIULM-RTWAWAEBSA-N 1 1 457.600 1.255 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001507690392 1072761976 /nfs/dbraw/zinc/76/19/76/1072761976.db2.gz SGWBYLYPVWIULM-LEWJYISDSA-N 1 1 457.600 1.255 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001507690392 1072761985 /nfs/dbraw/zinc/76/19/85/1072761985.db2.gz SGWBYLYPVWIULM-LEWJYISDSA-N 1 1 457.600 1.255 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001507690883 1072762291 /nfs/dbraw/zinc/76/22/91/1072762291.db2.gz YKWYFQAHOUAWKG-DENIHFKCSA-N 1 1 471.627 1.909 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001507690883 1072762306 /nfs/dbraw/zinc/76/23/06/1072762306.db2.gz YKWYFQAHOUAWKG-DENIHFKCSA-N 1 1 471.627 1.909 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001507690885 1072762562 /nfs/dbraw/zinc/76/25/62/1072762562.db2.gz YKWYFQAHOUAWKG-KNQAVFIVSA-N 1 1 471.627 1.909 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001507690885 1072762572 /nfs/dbraw/zinc/76/25/72/1072762572.db2.gz YKWYFQAHOUAWKG-KNQAVFIVSA-N 1 1 471.627 1.909 20 30 JDEDMO C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001507693375 1072763823 /nfs/dbraw/zinc/76/38/23/1072763823.db2.gz AQXLUPMMUKAZLF-VWLOTQADSA-N 1 1 451.619 1.169 20 30 JDEDMO C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001507693375 1072763843 /nfs/dbraw/zinc/76/38/43/1072763843.db2.gz AQXLUPMMUKAZLF-VWLOTQADSA-N 1 1 451.619 1.169 20 30 JDEDMO C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@@H+]1CCOCC1(C)C ZINC001507709704 1072767267 /nfs/dbraw/zinc/76/72/67/1072767267.db2.gz XXMDOQKCQNPVSO-UHFFFAOYSA-N 1 1 455.559 1.913 20 30 JDEDMO C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@H+]1CCOCC1(C)C ZINC001507709704 1072767283 /nfs/dbraw/zinc/76/72/83/1072767283.db2.gz XXMDOQKCQNPVSO-UHFFFAOYSA-N 1 1 455.559 1.913 20 30 JDEDMO C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001507716747 1072775859 /nfs/dbraw/zinc/77/58/59/1072775859.db2.gz UFPNOGFLFXWILH-HXUWFJFHSA-N 1 1 450.591 1.801 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001507717688 1072777612 /nfs/dbraw/zinc/77/76/12/1072777612.db2.gz FSABABZGORHTPY-HSZRJFAPSA-N 1 1 479.629 1.652 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001507717772 1072777718 /nfs/dbraw/zinc/77/77/18/1072777718.db2.gz ISKKSVQJIRRSJW-UHFFFAOYSA-N 1 1 476.423 1.902 20 30 JDEDMO C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001507720628 1072783677 /nfs/dbraw/zinc/78/36/77/1072783677.db2.gz VEEBWJSMWGEQEI-VWLOTQADSA-N 1 1 473.666 1.100 20 30 JDEDMO C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001507724599 1072792419 /nfs/dbraw/zinc/79/24/19/1072792419.db2.gz TXQLDNLBZJDWFH-OAQYLSRUSA-N 1 1 453.610 1.789 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001507726175 1072794727 /nfs/dbraw/zinc/79/47/27/1072794727.db2.gz GWWDDJBEFXTIES-JOCHJYFZSA-N 1 1 452.603 1.889 20 30 JDEDMO C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001507726744 1072795280 /nfs/dbraw/zinc/79/52/80/1072795280.db2.gz LKQXJNUQXBHCPC-UHFFFAOYSA-N 1 1 455.632 1.899 20 30 JDEDMO C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001507731189 1072800081 /nfs/dbraw/zinc/80/00/81/1072800081.db2.gz CNOBMDLMKJMMDJ-QHAWAJNXSA-N 1 1 462.664 1.303 20 30 JDEDMO C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001507731389 1072800517 /nfs/dbraw/zinc/80/05/17/1072800517.db2.gz HEPVAWSRFRJWJR-NBGIEHNGSA-N 1 1 487.649 1.214 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001507731722 1072801052 /nfs/dbraw/zinc/80/10/52/1072801052.db2.gz BBGDTTDLOONHNY-HXUWFJFHSA-N 1 1 456.566 1.720 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001507731995 1072801343 /nfs/dbraw/zinc/80/13/43/1072801343.db2.gz AKJSAXNXRMWXCV-PMACEKPBSA-N 1 1 499.660 1.368 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001507732591 1072801782 /nfs/dbraw/zinc/80/17/82/1072801782.db2.gz PYGCFXJLXYBTPU-AREMUKBSSA-N 1 1 466.630 1.976 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001507734057 1072803664 /nfs/dbraw/zinc/80/36/64/1072803664.db2.gz GDQOHUDREKXJTM-UHFFFAOYSA-N 1 1 467.618 1.840 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001507735953 1072806323 /nfs/dbraw/zinc/80/63/23/1072806323.db2.gz BKEAFLPWTDRRMM-HXUWFJFHSA-N 1 1 467.618 1.750 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001507737179 1072808410 /nfs/dbraw/zinc/80/84/10/1072808410.db2.gz ZKHCITYZYZAHRZ-CTNGQTDRSA-N 1 1 471.650 1.700 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001507737540 1072808788 /nfs/dbraw/zinc/80/87/88/1072808788.db2.gz BGWPODXYWIYUFP-UHFFFAOYSA-N 1 1 478.576 1.916 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001507738797 1072811481 /nfs/dbraw/zinc/81/14/81/1072811481.db2.gz YVFGAQAYOWFDDM-UGKGYDQZSA-N 1 1 477.613 1.716 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001507741119 1072818165 /nfs/dbraw/zinc/81/81/65/1072818165.db2.gz UZKYGDQAMUUJAM-LJQANCHMSA-N 1 1 482.633 1.074 20 30 JDEDMO C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507741423 1072818663 /nfs/dbraw/zinc/81/86/63/1072818663.db2.gz SFOSEUUPQIKEPZ-TZIWHRDSSA-N 1 1 487.674 1.259 20 30 JDEDMO C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507751068 1072823340 /nfs/dbraw/zinc/82/33/40/1072823340.db2.gz JRRMVEVOFWJLMX-CEWLAPEOSA-N 1 1 460.648 1.527 20 30 JDEDMO C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001507752809 1072825326 /nfs/dbraw/zinc/82/53/26/1072825326.db2.gz GOZBSFCKVHXKND-JOCHJYFZSA-N 1 1 493.637 1.838 20 30 JDEDMO C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001507752810 1072825342 /nfs/dbraw/zinc/82/53/42/1072825342.db2.gz GOZBSFCKVHXKND-QFIPXVFZSA-N 1 1 493.637 1.838 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](CC)C(C)C ZINC001507772934 1072829601 /nfs/dbraw/zinc/82/96/01/1072829601.db2.gz OCILWXUCKWPBDZ-WIYYLYMNSA-N 1 1 452.625 1.333 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](CC)C(C)C ZINC001507772930 1072829636 /nfs/dbraw/zinc/82/96/36/1072829636.db2.gz OCILWXUCKWPBDZ-GHTZIAJQSA-N 1 1 452.625 1.333 20 30 JDEDMO C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001507781478 1072831717 /nfs/dbraw/zinc/83/17/17/1072831717.db2.gz AAWDBSFLSHUNCJ-ZWKOTPCHSA-N 1 1 475.391 1.993 20 30 JDEDMO C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001507782878 1072832705 /nfs/dbraw/zinc/83/27/05/1072832705.db2.gz BCJYGBUEIQNJHI-QGZVFWFLSA-N 1 1 460.380 1.992 20 30 JDEDMO C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001507790023 1072834953 /nfs/dbraw/zinc/83/49/53/1072834953.db2.gz ULKQFKMIGWKULE-UHFFFAOYSA-N 1 1 455.401 1.856 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507811575 1072841995 /nfs/dbraw/zinc/84/19/95/1072841995.db2.gz SFMIJKAUQRRVQX-SQMWVJLWSA-N 1 1 460.623 1.785 20 30 JDEDMO C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001507820461 1072842600 /nfs/dbraw/zinc/84/26/00/1072842600.db2.gz DMFMEDJZEXDHQK-RBUKOAKNSA-N 1 1 454.641 1.888 20 30 JDEDMO C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cc[nH+]c1C ZINC001507820944 1072842749 /nfs/dbraw/zinc/84/27/49/1072842749.db2.gz QHJVIJCEUKKAGT-SFHVURJKSA-N 1 1 451.597 1.609 20 30 JDEDMO C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507841446 1072847170 /nfs/dbraw/zinc/84/71/70/1072847170.db2.gz ZZJLQOQQUMXTLS-UGKGYDQZSA-N 1 1 453.591 1.922 20 30 JDEDMO C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001507846692 1072849426 /nfs/dbraw/zinc/84/94/26/1072849426.db2.gz UJMHBGIRRGQYJI-NRFANRHFSA-N 1 1 453.591 1.599 20 30 JDEDMO C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507853505 1072850494 /nfs/dbraw/zinc/85/04/94/1072850494.db2.gz GJSATCXRVNGVEX-KXBFYZLASA-N 1 1 466.030 1.938 20 30 JDEDMO C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001507901618 1072854887 /nfs/dbraw/zinc/85/48/87/1072854887.db2.gz CFJKPNZRYPMUDK-RTBURBONSA-N 1 1 452.625 1.355 20 30 JDEDMO C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507925987 1072857203 /nfs/dbraw/zinc/85/72/03/1072857203.db2.gz NPDSEDZMMBNIBR-HBFSDRIKSA-N 1 1 481.667 1.233 20 30 JDEDMO C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001507945032 1072858748 /nfs/dbraw/zinc/85/87/48/1072858748.db2.gz ZVJGEZWBQHFJLC-KRWDZBQOSA-N 1 1 450.613 1.300 20 30 JDEDMO C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001507962908 1072861010 /nfs/dbraw/zinc/86/10/10/1072861010.db2.gz YYMGPURPBMHTON-UHFFFAOYSA-N 1 1 453.595 1.944 20 30 JDEDMO C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001507966468 1072861687 /nfs/dbraw/zinc/86/16/87/1072861687.db2.gz YJORMGBAZGXEKX-NRFANRHFSA-N 1 1 453.591 1.599 20 30 JDEDMO C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC001507989013 1072864114 /nfs/dbraw/zinc/86/41/14/1072864114.db2.gz VDZMJXRAGSGKTJ-QFIPXVFZSA-N 1 1 460.604 1.417 20 30 JDEDMO C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC001507993198 1072864804 /nfs/dbraw/zinc/86/48/04/1072864804.db2.gz OUNKAMQKSLGASH-WZONZLPQSA-N 1 1 462.595 1.808 20 30 JDEDMO C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001508037452 1072868107 /nfs/dbraw/zinc/86/81/07/1072868107.db2.gz LPRNXZOYQFVDPJ-IBGZPJMESA-N 1 1 453.385 1.752 20 30 JDEDMO C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001508042172 1072869018 /nfs/dbraw/zinc/86/90/18/1072869018.db2.gz ZTWKBHRTDKWATE-VWLOTQADSA-N 1 1 481.601 1.941 20 30 JDEDMO C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001508042171 1072869039 /nfs/dbraw/zinc/86/90/39/1072869039.db2.gz ZTWKBHRTDKWATE-RUZDIDTESA-N 1 1 481.601 1.941 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[NH+](CCOC)CC1 ZINC001508071749 1072872913 /nfs/dbraw/zinc/87/29/13/1072872913.db2.gz DLABPCSAVMMBCD-UHFFFAOYSA-N 1 1 450.547 1.406 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001508072680 1072874148 /nfs/dbraw/zinc/87/41/48/1072874148.db2.gz FFKMJJRPNSFQAE-IBGZPJMESA-N 1 1 489.983 1.783 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001508072681 1072874235 /nfs/dbraw/zinc/87/42/35/1072874235.db2.gz FFKMJJRPNSFQAE-LJQANCHMSA-N 1 1 489.983 1.783 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001508075137 1072876456 /nfs/dbraw/zinc/87/64/56/1072876456.db2.gz VDIUARNZMDYNCE-SFHVURJKSA-N 1 1 484.601 1.954 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001508089553 1072885170 /nfs/dbraw/zinc/88/51/70/1072885170.db2.gz CCWQYSTXMNNMDZ-JOCHJYFZSA-N 1 1 495.628 1.519 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001508089557 1072885257 /nfs/dbraw/zinc/88/52/57/1072885257.db2.gz CCWQYSTXMNNMDZ-QFIPXVFZSA-N 1 1 495.628 1.519 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001508092394 1072887886 /nfs/dbraw/zinc/88/78/86/1072887886.db2.gz BMAVLTWBEHSQGZ-RXVVDRJESA-N 1 1 472.565 1.845 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001508092391 1072887924 /nfs/dbraw/zinc/88/79/24/1072887924.db2.gz BMAVLTWBEHSQGZ-GHTZIAJQSA-N 1 1 472.565 1.845 20 30 JDEDMO C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001508093307 1072888554 /nfs/dbraw/zinc/88/85/54/1072888554.db2.gz UPYCCMHBKWWSAB-KRWDZBQOSA-N 1 1 471.631 1.882 20 30 JDEDMO C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001508094524 1072889876 /nfs/dbraw/zinc/88/98/76/1072889876.db2.gz YKRVORHLJXONFJ-IBGZPJMESA-N 1 1 454.575 1.723 20 30 JDEDMO C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001508094527 1072890126 /nfs/dbraw/zinc/89/01/26/1072890126.db2.gz YKRVORHLJXONFJ-LJQANCHMSA-N 1 1 454.575 1.723 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001508095145 1072890573 /nfs/dbraw/zinc/89/05/73/1072890573.db2.gz SRRNSYMNRPJUCB-LJQANCHMSA-N 1 1 484.601 1.857 20 30 JDEDMO C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC001508097113 1072892126 /nfs/dbraw/zinc/89/21/26/1072892126.db2.gz MTAHYUJWVXQWAE-JOCHJYFZSA-N 1 1 495.628 1.772 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001508107638 1072895830 /nfs/dbraw/zinc/89/58/30/1072895830.db2.gz DLVVEODLLKMIMO-NHCUHLMSSA-N 1 1 459.639 1.569 20 30 JDEDMO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001508107825 1072896208 /nfs/dbraw/zinc/89/62/08/1072896208.db2.gz CFAVQLMTZQCISI-RDPSFJRHSA-N 1 1 454.575 1.995 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001508107823 1072896257 /nfs/dbraw/zinc/89/62/57/1072896257.db2.gz CFAVQLMTZQCISI-HYBUGGRVSA-N 1 1 454.575 1.995 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001508125549 1072900462 /nfs/dbraw/zinc/90/04/62/1072900462.db2.gz PJCXBGMDWRIVPV-NJYVYQBISA-N 1 1 496.678 1.657 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001508131352 1072903669 /nfs/dbraw/zinc/90/36/69/1072903669.db2.gz LUXWEAMYTAJKKR-UHFFFAOYSA-N 1 1 464.636 1.570 20 30 JDEDMO C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001508139759 1072913981 /nfs/dbraw/zinc/91/39/81/1072913981.db2.gz DNMNLSBOQFEXRH-BDTNDASRSA-N 1 1 494.706 1.768 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001508140516 1072915027 /nfs/dbraw/zinc/91/50/27/1072915027.db2.gz OJLFTCQATCCHQO-UHFFFAOYSA-N 1 1 478.663 1.527 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001508143180 1072918657 /nfs/dbraw/zinc/91/86/57/1072918657.db2.gz KHWQQRJROFAJKW-UHFFFAOYSA-N 1 1 452.625 1.312 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001508143643 1072920043 /nfs/dbraw/zinc/92/00/43/1072920043.db2.gz MHSNICNJRGDVEB-IAGOWNOFSA-N 1 1 478.644 1.543 20 30 JDEDMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001508184769 1072948199 /nfs/dbraw/zinc/94/81/99/1072948199.db2.gz CQDBKPZRQMWROF-RXVVDRJESA-N 1 1 451.575 1.842 20 30 JDEDMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001508184769 1072948207 /nfs/dbraw/zinc/94/82/07/1072948207.db2.gz CQDBKPZRQMWROF-RXVVDRJESA-N 1 1 451.575 1.842 20 30 JDEDMO CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC001508237117 1073009241 /nfs/dbraw/zinc/00/92/41/1073009241.db2.gz OGBICNXLEYUUDQ-CVDCTZTESA-N 1 1 492.628 1.816 20 30 JDEDMO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001508257466 1073026646 /nfs/dbraw/zinc/02/66/46/1073026646.db2.gz CCNMWKMDYFNUBV-QHCPKHFHSA-N 1 1 481.601 1.754 20 30 JDEDMO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001508259023 1073027604 /nfs/dbraw/zinc/02/76/04/1073027604.db2.gz INMDZFOKEQVZRW-WOJBJXKFSA-N 1 1 481.601 1.754 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001508279130 1073056287 /nfs/dbraw/zinc/05/62/87/1073056287.db2.gz MQGYYOLVEBZVNJ-LJQANCHMSA-N 1 1 477.491 1.748 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001508279120 1073056162 /nfs/dbraw/zinc/05/61/62/1073056162.db2.gz MQGYYOLVEBZVNJ-IBGZPJMESA-N 1 1 477.491 1.748 20 30 JDEDMO CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001508388899 1073197771 /nfs/dbraw/zinc/19/77/71/1073197771.db2.gz HGNHQWPGJZHVEG-NRFANRHFSA-N 1 1 464.574 1.086 20 30 JDEDMO CC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001508399882 1073210610 /nfs/dbraw/zinc/21/06/10/1073210610.db2.gz UZONLEWVKYLHGM-UHFFFAOYSA-N 1 1 478.601 1.511 20 30 JDEDMO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC[NH+]1CCOCC1 ZINC001508648646 1073310860 /nfs/dbraw/zinc/31/08/60/1073310860.db2.gz VBEUTSGNBAITBE-MBSDFSHPSA-N 1 1 493.584 1.751 20 30 JDEDMO CC(C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC001508871936 1073432044 /nfs/dbraw/zinc/43/20/44/1073432044.db2.gz HCLNZNBXUFEGJV-VXKWHMMOSA-N 1 1 454.575 1.985 20 30 JDEDMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001509224157 1073540468 /nfs/dbraw/zinc/54/04/68/1073540468.db2.gz PCOSPMNYBQZZPN-UHFFFAOYSA-N 1 1 465.602 1.953 20 30 JDEDMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001509224123 1073540567 /nfs/dbraw/zinc/54/05/67/1073540567.db2.gz OPUUGEFUOZPPFW-UHFFFAOYSA-N 1 1 473.647 1.998 20 30 JDEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001509406003 1073585407 /nfs/dbraw/zinc/58/54/07/1073585407.db2.gz GGSPKQADQZDXTM-UFYCRDLUSA-N 1 1 481.667 1.717 20 30 JDEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001509406940 1073586059 /nfs/dbraw/zinc/58/60/59/1073586059.db2.gz IGKOXVMMXSPHAU-GBESFXJTSA-N 1 1 450.609 1.277 20 30 JDEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001509416810 1073592939 /nfs/dbraw/zinc/59/29/39/1073592939.db2.gz ZNUNRGKMRORULZ-CNNODRBYSA-N 1 1 497.641 1.421 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001509432382 1073610979 /nfs/dbraw/zinc/61/09/79/1073610979.db2.gz HEVLPERXOKTVJM-OAQYLSRUSA-N 1 1 451.575 1.875 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001509438668 1073620104 /nfs/dbraw/zinc/62/01/04/1073620104.db2.gz ZERJXKUDRNVJQY-WIYYLYMNSA-N 1 1 451.575 1.840 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001509440273 1073621487 /nfs/dbraw/zinc/62/14/87/1073621487.db2.gz MRVULPFAFBCAAD-NRFANRHFSA-N 1 1 467.574 1.364 20 30 JDEDMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001509515543 1073659476 /nfs/dbraw/zinc/65/94/76/1073659476.db2.gz VHWVKZJSZOYHHO-LJQANCHMSA-N 1 1 451.579 1.553 20 30 JDEDMO CC(C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001509518500 1073661976 /nfs/dbraw/zinc/66/19/76/1073661976.db2.gz KNFCSIVBOITBMD-UHFFFAOYSA-N 1 1 451.579 1.448 20 30 JDEDMO CC(C)[N@@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001509518853 1073663083 /nfs/dbraw/zinc/66/30/83/1073663083.db2.gz RHURHZCRZZLTNX-OAQYLSRUSA-N 1 1 489.646 1.849 20 30 JDEDMO CC(C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001509527445 1073668377 /nfs/dbraw/zinc/66/83/77/1073668377.db2.gz KPZYDWYGWIHCOX-HXUWFJFHSA-N 1 1 475.619 1.459 20 30 JDEDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001509555952 1073680089 /nfs/dbraw/zinc/68/00/89/1073680089.db2.gz FTMLTSHJYAKHKX-LSDHQDQOSA-N 1 1 450.547 1.787 20 30 JDEDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001509555954 1073680231 /nfs/dbraw/zinc/68/02/31/1073680231.db2.gz FTMLTSHJYAKHKX-XDOYNYLZSA-N 1 1 450.547 1.787 20 30 JDEDMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccn3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001509558186 1073681116 /nfs/dbraw/zinc/68/11/16/1073681116.db2.gz WEIYZDVQBZKYNJ-XDOYNYLZSA-N 1 1 450.547 1.787 20 30 JDEDMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001509562608 1073684623 /nfs/dbraw/zinc/68/46/23/1073684623.db2.gz GBVHYJAQGPPBKG-GHVJWSGMSA-N 1 1 464.574 1.711 20 30 JDEDMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001509566529 1073687966 /nfs/dbraw/zinc/68/79/66/1073687966.db2.gz WTPMXBDAASJHTQ-UHFFFAOYSA-N 1 1 472.615 1.677 20 30 JDEDMO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001509579657 1073700936 /nfs/dbraw/zinc/70/09/36/1073700936.db2.gz YTAUIISLYQHYJN-GOSISDBHSA-N 1 1 478.601 1.473 20 30 JDEDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C2)C1 ZINC001164719025 720265659 /nfs/dbraw/zinc/26/56/59/720265659.db2.gz KJBXZGRWZXYELH-NTKDMRAZSA-N 1 1 452.534 1.936 20 30 JDEDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C2)C1 ZINC001164719025 720265662 /nfs/dbraw/zinc/26/56/62/720265662.db2.gz KJBXZGRWZXYELH-NTKDMRAZSA-N 1 1 452.534 1.936 20 30 JDEDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)CC2)C1 ZINC001164873804 721290027 /nfs/dbraw/zinc/29/00/27/721290027.db2.gz AYGUCXKQKDIBHZ-GOSISDBHSA-N 1 1 472.590 1.432 20 30 JDEDMO CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001500787934 1069311948 /nfs/dbraw/zinc/31/19/48/1069311948.db2.gz RSSYBTHXVHOETF-IBGZPJMESA-N 1 1 468.610 1.201 20 30 JDEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001474943329 1069313651 /nfs/dbraw/zinc/31/36/51/1069313651.db2.gz VYTWTFYPLKTPOR-UHFFFAOYSA-N 1 1 456.568 1.783 20 30 JDEDMO CCC[N@@H+](CC)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001500790429 1069315239 /nfs/dbraw/zinc/31/52/39/1069315239.db2.gz USZVLWYHCNSZMV-MOPGFXCFSA-N 1 1 453.595 1.891 20 30 JDEDMO CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001501389530 1069503272 /nfs/dbraw/zinc/50/32/72/1069503272.db2.gz VFARQVKRKGUUOJ-UHFFFAOYSA-N 1 1 452.563 1.088 20 30 JDEDMO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001475620761 1069507415 /nfs/dbraw/zinc/50/74/15/1069507415.db2.gz QZVFLQJHKJYSIK-QGZVFWFLSA-N 1 1 457.394 1.396 20 30 JDEDMO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001475620761 1069507428 /nfs/dbraw/zinc/50/74/28/1069507428.db2.gz QZVFLQJHKJYSIK-QGZVFWFLSA-N 1 1 457.394 1.396 20 30 JDEDMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)CC1 ZINC001475684319 1069525207 /nfs/dbraw/zinc/52/52/07/1069525207.db2.gz ZBGKRXDPWLJATE-LJQANCHMSA-N 1 1 457.512 1.130 20 30 JDEDMO C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)c1 ZINC001546212502 1069770896 /nfs/dbraw/zinc/77/08/96/1069770896.db2.gz XCYSLKXZIWVRJM-UHFFFAOYSA-N 1 1 454.552 1.515 20 30 JDEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001477514480 1069829199 /nfs/dbraw/zinc/82/91/99/1069829199.db2.gz NRNCMRZLBLQXKP-UHFFFAOYSA-N 1 1 458.559 1.834 20 30 JDEDMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C ZINC001502185201 1069845944 /nfs/dbraw/zinc/84/59/44/1069845944.db2.gz XMEKKOICMHJTMM-SFHVURJKSA-N 1 1 468.610 1.523 20 30 JDEDMO CN1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2)CC1 ZINC001477771648 1069855625 /nfs/dbraw/zinc/85/56/25/1069855625.db2.gz IOAQYZMXHXMWKK-LEWJYISDSA-N 1 1 456.591 1.992 20 30 JDEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001502248865 1069930463 /nfs/dbraw/zinc/93/04/63/1069930463.db2.gz CSHLVLIKXORWDI-MSOLQXFVSA-N 1 1 472.615 1.675 20 30 JDEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502264252 1069970816 /nfs/dbraw/zinc/97/08/16/1069970816.db2.gz WYMOOGVSDNDZTF-SJORKVTESA-N 1 1 461.592 1.197 20 30 JDEDMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001502271475 1069993427 /nfs/dbraw/zinc/99/34/27/1069993427.db2.gz GDRYQYRNAMEJDY-VGSWGCGISA-N 1 1 475.594 1.979 20 30 JDEDMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001502271472 1069993687 /nfs/dbraw/zinc/99/36/87/1069993687.db2.gz GDRYQYRNAMEJDY-HTAPYJJXSA-N 1 1 475.594 1.979 20 30 JDEDMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001502271621 1069994148 /nfs/dbraw/zinc/99/41/48/1069994148.db2.gz JAYYIOSVJUUJSK-FPOVZHCZSA-N 1 1 468.606 1.937 20 30 JDEDMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001502281794 1070014751 /nfs/dbraw/zinc/01/47/51/1070014751.db2.gz NNMIMWKCPMDQJL-IBGZPJMESA-N 1 1 451.579 1.494 20 30 JDEDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001502283561 1070019467 /nfs/dbraw/zinc/01/94/67/1070019467.db2.gz UKTNOXVQLUFRPD-OAQYLSRUSA-N 1 1 450.591 1.511 20 30 JDEDMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001502296965 1070040756 /nfs/dbraw/zinc/04/07/56/1070040756.db2.gz RCXCRENKSNVLPD-KZNAEPCWSA-N 1 1 453.613 1.081 20 30 JDEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502310601 1070074213 /nfs/dbraw/zinc/07/42/13/1070074213.db2.gz CKIWBIQETHSZFF-AUSIDOKSSA-N 1 1 480.617 1.184 20 30 JDEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502311063 1070077451 /nfs/dbraw/zinc/07/74/51/1070077451.db2.gz LSWKGAXQQIDGNF-XLIONFOSSA-N 1 1 454.535 1.608 20 30 JDEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001502311786 1070080697 /nfs/dbraw/zinc/08/06/97/1070080697.db2.gz ZJLOKLBJWHJKTO-HXUWFJFHSA-N 1 1 480.617 1.138 20 30 JDEDMO CC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001502323775 1070141892 /nfs/dbraw/zinc/14/18/92/1070141892.db2.gz ZQLOXFIPJSFRRB-AZUAARDMSA-N 1 1 451.575 1.842 20 30 JDEDMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)C2)CC1 ZINC001502334559 1070186862 /nfs/dbraw/zinc/18/68/62/1070186862.db2.gz KRKSEXRQEORIOQ-JOCHJYFZSA-N 1 1 464.618 1.901 20 30 JDEDMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)NC(C)C)C2)CC1 ZINC001502337095 1070202334 /nfs/dbraw/zinc/20/23/34/1070202334.db2.gz AJGMCIFEMAXTRU-JOCHJYFZSA-N 1 1 494.644 1.860 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001502338779 1070217568 /nfs/dbraw/zinc/21/75/68/1070217568.db2.gz ZPPPIMWPTVCMNO-WZONZLPQSA-N 1 1 469.569 1.641 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502339791 1070219494 /nfs/dbraw/zinc/21/94/94/1070219494.db2.gz BZEVCZBSHNXXMG-KNQAVFIVSA-N 1 1 480.617 1.042 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001502340937 1070223707 /nfs/dbraw/zinc/22/37/07/1070223707.db2.gz LEPZSWDYWDLXIE-NRFANRHFSA-N 1 1 494.644 1.385 20 30 JDEDMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502349142 1070265474 /nfs/dbraw/zinc/26/54/74/1070265474.db2.gz OAMQNYJHMLISFN-RUZDIDTESA-N 1 1 464.618 1.936 20 30 JDEDMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001493785621 1070345005 /nfs/dbraw/zinc/34/50/05/1070345005.db2.gz LQFDEKAHSLAHSG-SQNIBIBYSA-N 1 1 453.613 1.129 20 30 JDEDMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001493808748 1070354434 /nfs/dbraw/zinc/35/44/34/1070354434.db2.gz LQTZRQIVPSKXBS-OAQYLSRUSA-N 1 1 494.644 1.671 20 30 JDEDMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494088002 1070389295 /nfs/dbraw/zinc/38/92/95/1070389295.db2.gz QVYQEDMCJDNCRY-KSVNGYGVSA-N 1 1 471.603 1.218 20 30 JDEDMO CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001502443901 1070426131 /nfs/dbraw/zinc/42/61/31/1070426131.db2.gz BDTVYEZJGPJKBJ-FQEVSTJZSA-N 1 1 479.633 1.694 20 30 JDEDMO CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001502444045 1070427695 /nfs/dbraw/zinc/42/76/95/1070427695.db2.gz GUFZIFSJNMBFQF-UHFFFAOYSA-N 1 1 466.590 1.779 20 30 JDEDMO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H](C(F)(F)F)O1 ZINC001494470761 1070599292 /nfs/dbraw/zinc/59/92/92/1070599292.db2.gz ZSXNCBMXUHQNAS-YWMUFLPLSA-N 1 1 480.491 1.951 20 30 JDEDMO CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001502507481 1070627761 /nfs/dbraw/zinc/62/77/61/1070627761.db2.gz RUKLMKAOSSVTLZ-HXUWFJFHSA-N 1 1 497.600 1.976 20 30 JDEDMO C[C@H]1C[N@@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCCO1 ZINC001494535901 1070628064 /nfs/dbraw/zinc/62/80/64/1070628064.db2.gz LPAPNPJOJXPETO-IBGZPJMESA-N 1 1 488.614 1.464 20 30 JDEDMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001502525639 1070643651 /nfs/dbraw/zinc/64/36/51/1070643651.db2.gz XANBIQBBBAPOBY-CVDCTZTESA-N 1 1 453.547 1.598 20 30 JDEDMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001502525641 1070643814 /nfs/dbraw/zinc/64/38/14/1070643814.db2.gz XANBIQBBBAPOBY-XXBNENTESA-N 1 1 453.547 1.598 20 30 JDEDMO CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001502718611 1070826967 /nfs/dbraw/zinc/82/69/67/1070826967.db2.gz RFQCBIYJOUBMTN-DEOSSOPVSA-N 1 1 468.606 1.864 20 30 JDEDMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001496117390 1070831125 /nfs/dbraw/zinc/83/11/25/1070831125.db2.gz SKRXKOHZSACPKM-ZWKOTPCHSA-N 1 1 489.650 1.212 20 30 JDEDMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001496187722 1070833507 /nfs/dbraw/zinc/83/35/07/1070833507.db2.gz IFFOTHBCZCPZKZ-PXNSSMCTSA-N 1 1 455.563 1.410 20 30 JDEDMO CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CCOC1 ZINC001502729001 1070839231 /nfs/dbraw/zinc/83/92/31/1070839231.db2.gz KRRULSISQFARSV-NZQKXSOJSA-N 1 1 458.538 1.930 20 30 JDEDMO CCOCc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCc1ccco1 ZINC001503113426 1071073010 /nfs/dbraw/zinc/07/30/10/1071073010.db2.gz MKPNSGRKDNDVIN-UHFFFAOYSA-N 1 1 463.542 1.918 20 30 JDEDMO CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001503151502 1071105520 /nfs/dbraw/zinc/10/55/20/1071105520.db2.gz VUOKDIDGCYAIAD-OAQYLSRUSA-N 1 1 451.575 1.844 20 30 JDEDMO CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503202612 1071146484 /nfs/dbraw/zinc/14/64/84/1071146484.db2.gz OXEFPANAPIGTMH-AVRDEDQJSA-N 1 1 451.575 1.842 20 30 JDEDMO CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503202613 1071146708 /nfs/dbraw/zinc/14/67/08/1071146708.db2.gz OXEFPANAPIGTMH-GCJKJVERSA-N 1 1 451.575 1.842 20 30 JDEDMO CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001503255642 1071283860 /nfs/dbraw/zinc/28/38/60/1071283860.db2.gz ZICDELKDKMTRID-UHFFFAOYSA-N 1 1 458.588 1.552 20 30 JDEDMO COC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504586144 1071418013 /nfs/dbraw/zinc/41/80/13/1071418013.db2.gz XVYMUPMEVTXNOE-JOCHJYFZSA-N 1 1 464.574 1.924 20 30 JDEDMO COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@H](C)O1 ZINC001504711679 1071567885 /nfs/dbraw/zinc/56/78/85/1071567885.db2.gz GOVRVXRGOMKRJJ-BWAGFHJFSA-N 1 1 454.575 1.904 20 30 JDEDMO COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@H](C)O1 ZINC001504711681 1071567997 /nfs/dbraw/zinc/56/79/97/1071567997.db2.gz GOVRVXRGOMKRJJ-NYVOZVTQSA-N 1 1 454.575 1.904 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 ZINC001503359685 1071570954 /nfs/dbraw/zinc/57/09/54/1071570954.db2.gz NACFVWBERFBACH-RTWAWAEBSA-N 1 1 462.558 1.488 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001503359834 1071571602 /nfs/dbraw/zinc/57/16/02/1071571602.db2.gz NXWINJQXEXOZCC-RTWAWAEBSA-N 1 1 499.641 1.383 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001503359834 1071571608 /nfs/dbraw/zinc/57/16/08/1071571608.db2.gz NXWINJQXEXOZCC-RTWAWAEBSA-N 1 1 499.641 1.383 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 ZINC001503361201 1071575919 /nfs/dbraw/zinc/57/59/19/1071575919.db2.gz SYEUGIYEZBNUAJ-HXOBKFHXSA-N 1 1 483.552 1.310 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001503360783 1071574881 /nfs/dbraw/zinc/57/48/81/1071574881.db2.gz RVKGQPGBVDZNED-IFMALSPDSA-N 1 1 492.628 1.851 20 30 JDEDMO COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001504734972 1071608468 /nfs/dbraw/zinc/60/84/68/1071608468.db2.gz JGCQRQMZGRGLGB-OAQYLSRUSA-N 1 1 470.574 1.691 20 30 JDEDMO COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001504734972 1071608477 /nfs/dbraw/zinc/60/84/77/1071608477.db2.gz JGCQRQMZGRGLGB-OAQYLSRUSA-N 1 1 470.574 1.691 20 30 JDEDMO COCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504755781 1071643341 /nfs/dbraw/zinc/64/33/41/1071643341.db2.gz KOPWBUDFUBCMEK-SQJMNOBHSA-N 1 1 481.601 1.601 20 30 JDEDMO CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001503404997 1071672614 /nfs/dbraw/zinc/67/26/14/1071672614.db2.gz FIHDCCHPOTVOAL-JOCHJYFZSA-N 1 1 473.603 1.009 20 30 JDEDMO COCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504822118 1071709188 /nfs/dbraw/zinc/70/91/88/1071709188.db2.gz KAIMZULOGGMJPO-GCJKJVERSA-N 1 1 451.575 1.842 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001504849792 1071746481 /nfs/dbraw/zinc/74/64/81/1071746481.db2.gz YVXMRIGUYMKJEA-UHFFFAOYSA-N 1 1 496.616 1.359 20 30 JDEDMO COCC[N@@H+](C)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001504851034 1071749116 /nfs/dbraw/zinc/74/91/16/1071749116.db2.gz MRWWJEIYKPCKRB-WZONZLPQSA-N 1 1 495.600 1.997 20 30 JDEDMO COCC[N@@H+](C)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 ZINC001504851028 1071749739 /nfs/dbraw/zinc/74/97/39/1071749739.db2.gz MRWWJEIYKPCKRB-JPYJTQIMSA-N 1 1 495.600 1.997 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001504854197 1071762206 /nfs/dbraw/zinc/76/22/06/1071762206.db2.gz GDLZRVRHJJUIHR-XMMPIXPASA-N 1 1 453.591 1.696 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001504853749 1071760322 /nfs/dbraw/zinc/76/03/22/1071760322.db2.gz AMGRMYJENOHDGO-KNQAVFIVSA-N 1 1 453.591 1.552 20 30 JDEDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 ZINC001503448159 1071766097 /nfs/dbraw/zinc/76/60/97/1071766097.db2.gz BJCVYKIEYDUGTI-UHFFFAOYSA-N 1 1 455.563 1.708 20 30 JDEDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F ZINC001503450871 1071774653 /nfs/dbraw/zinc/77/46/53/1071774653.db2.gz ZCPKZQQQGOBLEE-UHFFFAOYSA-N 1 1 475.544 1.993 20 30 JDEDMO COCC[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 ZINC001504859134 1071785605 /nfs/dbraw/zinc/78/56/05/1071785605.db2.gz TWWMOWOWHRSDJB-GOSISDBHSA-N 1 1 479.379 1.927 20 30 JDEDMO COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001504883988 1071809253 /nfs/dbraw/zinc/80/92/53/1071809253.db2.gz HCBQLOOHPWILLJ-OALUTQOASA-N 1 1 461.611 1.768 20 30 JDEDMO COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001504883986 1071809345 /nfs/dbraw/zinc/80/93/45/1071809345.db2.gz HCBQLOOHPWILLJ-KDURUIRLSA-N 1 1 461.611 1.768 20 30 JDEDMO COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001504883986 1071809352 /nfs/dbraw/zinc/80/93/52/1071809352.db2.gz HCBQLOOHPWILLJ-KDURUIRLSA-N 1 1 461.611 1.768 20 30 JDEDMO COCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CC1 ZINC001504911196 1071866225 /nfs/dbraw/zinc/86/62/25/1071866225.db2.gz RESAHXIDPBITAT-UHFFFAOYSA-N 1 1 451.575 1.988 20 30 JDEDMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001504913947 1071873670 /nfs/dbraw/zinc/87/36/70/1071873670.db2.gz OVSQIBPYXUOAJB-GOSISDBHSA-N 1 1 467.574 1.256 20 30 JDEDMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001504924759 1071910577 /nfs/dbraw/zinc/91/05/77/1071910577.db2.gz GTCDLRYBBDXSOH-FQEVSTJZSA-N 1 1 491.596 1.941 20 30 JDEDMO COCC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001504925815 1071914811 /nfs/dbraw/zinc/91/48/11/1071914811.db2.gz OATQEGRGVDDDOG-DEOSSOPVSA-N 1 1 466.542 1.998 20 30 JDEDMO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCOCC2)C1 ZINC001504932700 1071944015 /nfs/dbraw/zinc/94/40/15/1071944015.db2.gz XGIQIEZYBKGCQH-REWPJTCUSA-N 1 1 495.628 1.907 20 30 JDEDMO CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001503640939 1071958244 /nfs/dbraw/zinc/95/82/44/1071958244.db2.gz VWSHAQPMTTXEHL-UHFFFAOYSA-N 1 1 489.646 1.236 20 30 JDEDMO CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001503638104 1071955008 /nfs/dbraw/zinc/95/50/08/1071955008.db2.gz AZDCCJSYIDAQKW-SFHVURJKSA-N 1 1 469.571 1.669 20 30 JDEDMO COCCO[C@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001504967546 1072015119 /nfs/dbraw/zinc/01/51/19/1072015119.db2.gz FKVVELQDTOTZHG-QRWLVFNGSA-N 1 1 455.563 1.877 20 30 JDEDMO CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1OC ZINC001505119612 1072263818 /nfs/dbraw/zinc/26/38/18/1072263818.db2.gz RJPNPURHTRBFDX-ZLNRFVROSA-N 1 1 484.601 1.936 20 30 JDEDMO CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001505140534 1072345167 /nfs/dbraw/zinc/34/51/67/1072345167.db2.gz XKIKHKVIZVGDBL-OAQYLSRUSA-N 1 1 487.630 1.135 20 30 JDEDMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 ZINC001464887902 1067685789 /nfs/dbraw/zinc/68/57/89/1067685789.db2.gz AQFUETCJCNJQIL-OAQYLSRUSA-N 1 1 455.559 1.673 20 30 JDEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC001465328521 1067781381 /nfs/dbraw/zinc/78/13/81/1067781381.db2.gz NAEULJWPJCJYFS-MOPGFXCFSA-N 1 1 455.584 1.552 20 30 JDEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC001465826581 1067834331 /nfs/dbraw/zinc/83/43/31/1067834331.db2.gz ZTMNLEQBGBJVOW-LJQANCHMSA-N 1 1 457.552 1.620 20 30 JDEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC001465826581 1067834332 /nfs/dbraw/zinc/83/43/32/1067834332.db2.gz ZTMNLEQBGBJVOW-LJQANCHMSA-N 1 1 457.552 1.620 20 30 JDEDMO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC001465887699 1067839772 /nfs/dbraw/zinc/83/97/72/1067839772.db2.gz ILQBSKRFLOFQSK-MJGOQNOKSA-N 1 1 450.605 1.493 20 30 JDEDMO Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1S(=O)(=O)NCC#N ZINC001466813753 1067926350 /nfs/dbraw/zinc/92/63/50/1067926350.db2.gz RUZBKANDBNWFPS-OAQYLSRUSA-N 1 1 456.568 1.684 20 30 JDEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C(C)C ZINC001467660638 1068047336 /nfs/dbraw/zinc/04/73/36/1068047336.db2.gz VYCYWJTUIPZVCB-IDPGXWOASA-N 1 1 455.621 1.883 20 30 JDEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C(C)C ZINC001467660637 1068047555 /nfs/dbraw/zinc/04/75/55/1068047555.db2.gz VYCYWJTUIPZVCB-DBAFAGGRSA-N 1 1 455.621 1.883 20 30 JDEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC001468544792 1068309948 /nfs/dbraw/zinc/30/99/48/1068309948.db2.gz DDUNHCHIVVDRAJ-IBGZPJMESA-N 1 1 455.584 1.794 20 30 JDEDMO O=C(NCCNC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1N=CC=CC1=O ZINC001468616182 1068326143 /nfs/dbraw/zinc/32/61/43/1068326143.db2.gz YWEMAJUZDHQIPB-QAHCAUCSSA-N 1 1 452.559 1.115 20 30 JDEDMO C=CC[C@]1(C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)CCCN1C(=O)OC(C)(C)C ZINC001468667781 1068341111 /nfs/dbraw/zinc/34/11/11/1068341111.db2.gz BMELPDLRJPMATM-FDDCHVKYSA-N 1 1 452.596 1.628 20 30 JDEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001470351896 1068751053 /nfs/dbraw/zinc/75/10/53/1068751053.db2.gz GTQTXIOOLITDDD-UHFFFAOYSA-N 1 1 459.595 1.873 20 30 JDEDMO N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH2+][C@H](c4ccc(O)cc4)C3)CC2)cc1 ZINC001470724554 1068805211 /nfs/dbraw/zinc/80/52/11/1068805211.db2.gz HBKZSJDGHHVVIH-QFIPXVFZSA-N 1 1 454.552 1.838 20 30 JDEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3ncc(I)cn3)CC2)C1 ZINC001471337279 1068855718 /nfs/dbraw/zinc/85/57/18/1068855718.db2.gz OTYAHGOWNIGHCS-OAHLLOKOSA-N 1 1 454.316 1.010 20 30 JDEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3ncc(I)cn3)CC2)C1 ZINC001471337279 1068855722 /nfs/dbraw/zinc/85/57/22/1068855722.db2.gz OTYAHGOWNIGHCS-OAHLLOKOSA-N 1 1 454.316 1.010 20 30 JDEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001471337144 1068855854 /nfs/dbraw/zinc/85/58/54/1068855854.db2.gz NKVOOMCZKVKTTP-HXUWFJFHSA-N 1 1 455.584 1.738 20 30 JDEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001471337144 1068855856 /nfs/dbraw/zinc/85/58/56/1068855856.db2.gz NKVOOMCZKVKTTP-HXUWFJFHSA-N 1 1 455.584 1.738 20 30 JDEDMO C[C@H](CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001472488482 1069015654 /nfs/dbraw/zinc/01/56/54/1069015654.db2.gz HLKFTZRSJYMUCD-QGZVFWFLSA-N 1 1 455.584 1.890 20 30 JDEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC001472489528 1069016219 /nfs/dbraw/zinc/01/62/19/1069016219.db2.gz YFQAGJMGIGMACV-UHFFFAOYSA-N 1 1 455.584 1.290 20 30 JDEDMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1CCOC ZINC001499650945 1069027255 /nfs/dbraw/zinc/02/72/55/1069027255.db2.gz GGYPJAOUVHBUNX-SKQREZPOSA-N 1 1 459.595 1.649 20 30 JDEDMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1CCOC ZINC001499650936 1069027504 /nfs/dbraw/zinc/02/75/04/1069027504.db2.gz GGYPJAOUVHBUNX-FTHOYRMOSA-N 1 1 459.595 1.649 20 30 JDEDMO N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001472593596 1069036365 /nfs/dbraw/zinc/03/63/65/1069036365.db2.gz FDIMXDVBGOHYQE-FGZHOGPDSA-N 1 1 454.552 1.338 20 30 JDEDMO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](C)CCOC)C[C@H]1N1CCOCC1 ZINC001499682264 1069041936 /nfs/dbraw/zinc/04/19/36/1069041936.db2.gz YFEDXAKXSQASRW-FYYLOGMGSA-N 1 1 467.618 1.942 20 30 JDEDMO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001499695457 1069043578 /nfs/dbraw/zinc/04/35/78/1069043578.db2.gz AHTQCIHJBCIBJT-IRLDBZIGSA-N 1 1 451.575 1.890 20 30 JDEDMO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC[N@H+]1CCOC ZINC001499696337 1069044322 /nfs/dbraw/zinc/04/43/22/1069044322.db2.gz HQOGDYVXWYWWJA-YKSBVNFPSA-N 1 1 451.575 1.842 20 30 JDEDMO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001499697057 1069044374 /nfs/dbraw/zinc/04/43/74/1069044374.db2.gz MMCWAUONHOKRSS-CTNGQTDRSA-N 1 1 451.575 1.888 20 30 JDEDMO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC[N@H+]1CCOC ZINC001499698206 1069045263 /nfs/dbraw/zinc/04/52/63/1069045263.db2.gz ZZWAQAKIDAOYJL-OAQYLSRUSA-N 1 1 451.575 1.890 20 30 JDEDMO CC[C@@H]1CN(c2nnc(C3CCC3)n2CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1CCOC ZINC001499724428 1069054991 /nfs/dbraw/zinc/05/49/91/1069054991.db2.gz MKEYQHBNRLRBSO-HYHOCUEZSA-N 1 1 457.579 1.619 20 30 JDEDMO CC[C@H]1CN(c2nnc(C3CCC3)n2CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1CCOC ZINC001499724429 1069055105 /nfs/dbraw/zinc/05/51/05/1069055105.db2.gz MKEYQHBNRLRBSO-LQTLECTNSA-N 1 1 457.579 1.619 20 30 JDEDMO CCC[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001499937365 1069134619 /nfs/dbraw/zinc/13/46/19/1069134619.db2.gz DNAVDEBTSUXGLT-FDDCHVKYSA-N 1 1 489.646 1.633 20 30 JDEDMO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC001473743224 1069217677 /nfs/dbraw/zinc/21/76/77/1069217677.db2.gz FEWYGLMGYSSSHV-KSZLIROESA-N 1 1 460.535 1.157 20 30 JDEDMO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC001473743224 1069217692 /nfs/dbraw/zinc/21/76/92/1069217692.db2.gz FEWYGLMGYSSSHV-KSZLIROESA-N 1 1 460.535 1.157 20 30 JDEDMO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001500248786 1069221816 /nfs/dbraw/zinc/22/18/16/1069221816.db2.gz CRFBFJFICGJQFZ-URXFXBBRSA-N 1 1 454.575 1.905 20 30 JDEDMO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001500248785 1069221976 /nfs/dbraw/zinc/22/19/76/1069221976.db2.gz CRFBFJFICGJQFZ-QPPBQGQZSA-N 1 1 454.575 1.905 20 30 JDEDMO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001500250292 1069222032 /nfs/dbraw/zinc/22/20/32/1069222032.db2.gz SCQKYFVYFJUXHQ-QFIPXVFZSA-N 1 1 481.601 1.613 20 30 JDEDMO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC001473794073 1069225115 /nfs/dbraw/zinc/22/51/15/1069225115.db2.gz MLHHQFQOYWKNRE-YDIMBITNSA-N 1 1 456.543 1.953 20 30 JDEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001500532274 1069259197 /nfs/dbraw/zinc/25/91/97/1069259197.db2.gz PWUVCHZUHUQDPI-HMXCVIKNSA-N 1 1 492.694 1.719 20 30 JDEDMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O ZINC001505277409 1072447291 /nfs/dbraw/zinc/44/72/91/1072447291.db2.gz BKUFFKYAVKUFFV-GOSISDBHSA-N 1 1 472.615 1.941 20 30 JDEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O ZINC001505277409 1072447294 /nfs/dbraw/zinc/44/72/94/1072447294.db2.gz BKUFFKYAVKUFFV-GOSISDBHSA-N 1 1 472.615 1.941 20 30 JDEDMO N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001505313719 1072480184 /nfs/dbraw/zinc/48/01/84/1072480184.db2.gz DYWIHGYCTSFYLI-RTWAWAEBSA-N 1 1 451.575 1.755 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001507526049 1072596158 /nfs/dbraw/zinc/59/61/58/1072596158.db2.gz AGHCBNDFQHMREO-KRWDZBQOSA-N 1 1 459.620 1.807 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@@H+]1CCOCC1(C)C ZINC001507530095 1072596831 /nfs/dbraw/zinc/59/68/31/1072596831.db2.gz VXHRBUOONCBSCJ-KRWDZBQOSA-N 1 1 459.620 1.807 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+]1CCOCC1(C)C ZINC001507530095 1072596847 /nfs/dbraw/zinc/59/68/47/1072596847.db2.gz VXHRBUOONCBSCJ-KRWDZBQOSA-N 1 1 459.620 1.807 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001507535042 1072597705 /nfs/dbraw/zinc/59/77/05/1072597705.db2.gz XADYZHLLWGZTMT-MOPGFXCFSA-N 1 1 463.586 1.887 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001507536467 1072598052 /nfs/dbraw/zinc/59/80/52/1072598052.db2.gz DYSSCZVEUKHSMK-CTNGQTDRSA-N 1 1 462.602 1.917 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCOCC2)c1 ZINC001507549034 1072609241 /nfs/dbraw/zinc/60/92/41/1072609241.db2.gz XVUSDIYUTIHLAK-UHFFFAOYSA-N 1 1 479.585 1.293 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCOCC2)c1 ZINC001507548611 1072609453 /nfs/dbraw/zinc/60/94/53/1072609453.db2.gz UJZMYCIHPVELFS-UHFFFAOYSA-N 1 1 467.574 1.195 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001507551895 1072614705 /nfs/dbraw/zinc/61/47/05/1072614705.db2.gz IQTVXDXVRDFYOC-UHFFFAOYSA-N 1 1 454.575 1.982 20 30 JDEDMO C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507558934 1072619619 /nfs/dbraw/zinc/61/96/19/1072619619.db2.gz ZHVLIEYPZUVUAU-ZJOUEHCJSA-N 1 1 493.678 1.071 20 30 JDEDMO C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507571952 1072625734 /nfs/dbraw/zinc/62/57/34/1072625734.db2.gz SFJLZDUUCSWVSS-PNJWGLBASA-N 1 1 472.634 1.794 20 30 JDEDMO C#CCCCCn1c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001507576610 1072629834 /nfs/dbraw/zinc/62/98/34/1072629834.db2.gz YTTQWKXTSJGXCD-GBXCKJPGSA-N 1 1 458.607 1.477 20 30 JDEDMO C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CC[NH+](CC)CC1 ZINC001507606381 1072637579 /nfs/dbraw/zinc/63/75/79/1072637579.db2.gz KITKYGDVGDZTIC-UHFFFAOYSA-N 1 1 473.647 1.292 20 30 JDEDMO C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001507611936 1072639472 /nfs/dbraw/zinc/63/94/72/1072639472.db2.gz QHZCVOWLTSZIMW-SFHVURJKSA-N 1 1 459.620 1.545 20 30 JDEDMO C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507622622 1072647956 /nfs/dbraw/zinc/64/79/56/1072647956.db2.gz JXWSDZKQZLRCSB-PMACEKPBSA-N 1 1 490.674 1.651 20 30 JDEDMO C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507622792 1072649450 /nfs/dbraw/zinc/64/94/50/1072649450.db2.gz LZSRHOHSPVNFDI-GOSISDBHSA-N 1 1 482.570 1.147 20 30 JDEDMO C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507623121 1072650174 /nfs/dbraw/zinc/65/01/74/1072650174.db2.gz RTKFUQDZOHPOKG-VQTJNVASSA-N 1 1 478.663 1.411 20 30 JDEDMO C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[N@@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507624503 1072654284 /nfs/dbraw/zinc/65/42/84/1072654284.db2.gz APMYQMNNZAIZLR-UGKGYDQZSA-N 1 1 467.636 1.286 20 30 JDEDMO C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCC[N@@H+]1CCC)[C@@H]1CCS(=O)(=O)C1 ZINC001507625814 1072659326 /nfs/dbraw/zinc/65/93/26/1072659326.db2.gz LGEMJXRESCTSGG-IMSXRSKXSA-N 1 1 493.674 1.821 20 30 JDEDMO C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCC[N@@H+]1CCC)[C@H]1CCS(=O)(=O)C1 ZINC001507625810 1072659390 /nfs/dbraw/zinc/65/93/90/1072659390.db2.gz LGEMJXRESCTSGG-DPLHUUCSSA-N 1 1 493.674 1.821 20 30 JDEDMO C#CCN(c1nnc(C)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC001507625934 1072659895 /nfs/dbraw/zinc/65/98/95/1072659895.db2.gz LRJMYQIIWWPFMS-VXKWHMMOSA-N 1 1 457.600 1.218 20 30 JDEDMO C#CCN(c1nnc(C)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC001507625936 1072659956 /nfs/dbraw/zinc/65/99/56/1072659956.db2.gz LRJMYQIIWWPFMS-YADHBBJMSA-N 1 1 457.600 1.218 20 30 JDEDMO C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[N@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001507627803 1072667379 /nfs/dbraw/zinc/66/73/79/1072667379.db2.gz FZJUMPTWZAHORF-UXHICEINSA-N 1 1 487.626 1.427 20 30 JDEDMO C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507628502 1072670824 /nfs/dbraw/zinc/67/08/24/1072670824.db2.gz OPHDTEYNJMUMCE-KKSFZXQISA-N 1 1 498.436 1.945 20 30 JDEDMO C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507629819 1072675328 /nfs/dbraw/zinc/67/53/28/1072675328.db2.gz WRMYDTCYTFZCAS-JTSKRJEESA-N 1 1 494.017 1.300 20 30 JDEDMO C#CCN(c1nnc(-c2noc3c2COCC3)n1CC[N@H+](CC)CCC)[C@H]1CCS(=O)(=O)C1 ZINC001507631431 1072687885 /nfs/dbraw/zinc/68/78/85/1072687885.db2.gz PMCNVJVEKQZZGR-KRWDZBQOSA-N 1 1 476.603 1.364 20 30 JDEDMO C#CCN(c1nnc(Cc2csc(C)n2)n1CC[N@@H+]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001507635005 1072710205 /nfs/dbraw/zinc/71/02/05/1072710205.db2.gz OWPIZTCSHQHNEZ-LPHOPBHVSA-N 1 1 462.645 1.745 20 30 JDEDMO C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001507636704 1072715277 /nfs/dbraw/zinc/71/52/77/1072715277.db2.gz JFAARAQCJNXZQM-UHFFFAOYSA-N 1 1 451.494 1.936 20 30 JDEDMO C#CCN(c1nnc(CCc2ccccc2)n1CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507639005 1072723892 /nfs/dbraw/zinc/72/38/92/1072723892.db2.gz IQFFUTVCRUIYOC-HSZRJFAPSA-N 1 1 498.697 1.716 20 30 JDEDMO C#CCN(c1nnc(COCC)n1CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507639515 1072727534 /nfs/dbraw/zinc/72/75/34/1072727534.db2.gz YVNMOOQEGNLFCL-JOCHJYFZSA-N 1 1 471.627 1.890 20 30 JDEDMO C#CCN(c1nnc(COCC)n1CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507639515 1072727544 /nfs/dbraw/zinc/72/75/44/1072727544.db2.gz YVNMOOQEGNLFCL-JOCHJYFZSA-N 1 1 471.627 1.890 20 30 JDEDMO C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507640402 1072730978 /nfs/dbraw/zinc/73/09/78/1072730978.db2.gz RPFLTMPTGHDTCU-OAQYLSRUSA-N 1 1 493.593 1.951 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001507642023 1072735642 /nfs/dbraw/zinc/73/56/42/1072735642.db2.gz GMEADXZDPMNECJ-PMACEKPBSA-N 1 1 484.626 1.230 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001507642023 1072735659 /nfs/dbraw/zinc/73/56/59/1072735659.db2.gz GMEADXZDPMNECJ-PMACEKPBSA-N 1 1 484.626 1.230 20 30 JDEDMO C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507643528 1072737397 /nfs/dbraw/zinc/73/73/97/1072737397.db2.gz OEKJDVNACZKPFS-UHFFFAOYSA-N 1 1 456.497 1.783 20 30 JDEDMO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001507649166 1072740082 /nfs/dbraw/zinc/74/00/82/1072740082.db2.gz ZPVQMTOVALRCCL-IBGZPJMESA-N 1 1 459.554 1.233 20 30 JDEDMO C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1cc[nH+]c1C ZINC001507649056 1072740471 /nfs/dbraw/zinc/74/04/71/1072740471.db2.gz XZHGKDAFFABAFG-UHFFFAOYSA-N 1 1 450.572 1.906 20 30 JDEDMO C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001507653522 1072744810 /nfs/dbraw/zinc/74/48/10/1072744810.db2.gz RBCCCJYRBYNNRB-IBGZPJMESA-N 1 1 451.575 1.352 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001507654016 1072746331 /nfs/dbraw/zinc/74/63/31/1072746331.db2.gz UQJJLCAKYIOGAT-FCHUYYIVSA-N 1 1 488.658 1.481 20 30 JDEDMO C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001507654344 1072746872 /nfs/dbraw/zinc/74/68/72/1072746872.db2.gz ZDSGQVGCJWLPOI-UHFFFAOYSA-N 1 1 489.672 1.799 20 30 JDEDMO C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001507657438 1072748171 /nfs/dbraw/zinc/74/81/71/1072748171.db2.gz SAABJMYEQZWBDF-OAQYLSRUSA-N 1 1 460.582 1.742 20 30 JDEDMO C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001507657438 1072748186 /nfs/dbraw/zinc/74/81/86/1072748186.db2.gz SAABJMYEQZWBDF-OAQYLSRUSA-N 1 1 460.582 1.742 20 30 JDEDMO C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001507657437 1072748558 /nfs/dbraw/zinc/74/85/58/1072748558.db2.gz SAABJMYEQZWBDF-NRFANRHFSA-N 1 1 460.582 1.742 20 30 JDEDMO C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001507657437 1072748570 /nfs/dbraw/zinc/74/85/70/1072748570.db2.gz SAABJMYEQZWBDF-NRFANRHFSA-N 1 1 460.582 1.742 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCc2ccccc2C1 ZINC001507660318 1072750073 /nfs/dbraw/zinc/75/00/73/1072750073.db2.gz QSLGXDNGUYHTSY-IBGZPJMESA-N 1 1 454.600 1.410 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001507663308 1072751864 /nfs/dbraw/zinc/75/18/64/1072751864.db2.gz WVSYQNKTFSKUNZ-UHFFFAOYSA-N 1 1 498.653 1.769 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001507663308 1072751878 /nfs/dbraw/zinc/75/18/78/1072751878.db2.gz WVSYQNKTFSKUNZ-UHFFFAOYSA-N 1 1 498.653 1.769 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001507667282 1072753136 /nfs/dbraw/zinc/75/31/36/1072753136.db2.gz LNPVFVQFWYSVLO-FQEVSTJZSA-N 1 1 473.581 1.502 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001507670932 1072756321 /nfs/dbraw/zinc/75/63/21/1072756321.db2.gz DXASJAFWJNHOGL-NJYVYQBISA-N 1 1 476.647 1.194 20 30 JDEDMO C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001507710917 1072769265 /nfs/dbraw/zinc/76/92/65/1072769265.db2.gz MILZGXRLWYKSJW-VQTJNVASSA-N 1 1 451.637 1.634 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001507717916 1072778467 /nfs/dbraw/zinc/77/84/67/1072778467.db2.gz IZMHSZHMAGGUDF-UHFFFAOYSA-N 1 1 468.602 1.828 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001507717916 1072778473 /nfs/dbraw/zinc/77/84/73/1072778473.db2.gz IZMHSZHMAGGUDF-UHFFFAOYSA-N 1 1 468.602 1.828 20 30 JDEDMO C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001507719281 1072782340 /nfs/dbraw/zinc/78/23/40/1072782340.db2.gz MPLCGGPCANXIRP-VWLOTQADSA-N 1 1 473.666 1.102 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001507721551 1072785825 /nfs/dbraw/zinc/78/58/25/1072785825.db2.gz VXVWLZHTPCOEPK-FQEVSTJZSA-N 1 1 470.643 1.836 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[N@H+](C)CCCC)CC1 ZINC001507723466 1072791113 /nfs/dbraw/zinc/79/11/13/1072791113.db2.gz JKWZHIMFWAWWDR-UHFFFAOYSA-N 1 1 472.663 1.725 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CC[N@@H+](C)C(C)C)CC1 ZINC001507723418 1072791294 /nfs/dbraw/zinc/79/12/94/1072791294.db2.gz HPVAXEUEQROOIM-UHFFFAOYSA-N 1 1 462.602 1.770 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001507732285 1072801377 /nfs/dbraw/zinc/80/13/77/1072801377.db2.gz KZBYQLSPUIUXIB-UHFFFAOYSA-N 1 1 458.994 1.988 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001507733708 1072803164 /nfs/dbraw/zinc/80/31/64/1072803164.db2.gz JCHUKBDXTPTQIA-FQEVSTJZSA-N 1 1 455.607 1.354 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001507734960 1072804499 /nfs/dbraw/zinc/80/44/99/1072804499.db2.gz FUFZALOPNUVBPB-UHFFFAOYSA-N 1 1 488.640 1.809 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001507734960 1072804501 /nfs/dbraw/zinc/80/45/01/1072804501.db2.gz FUFZALOPNUVBPB-UHFFFAOYSA-N 1 1 488.640 1.809 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001507734960 1072804502 /nfs/dbraw/zinc/80/45/02/1072804502.db2.gz FUFZALOPNUVBPB-UHFFFAOYSA-N 1 1 488.640 1.809 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001507735774 1072806066 /nfs/dbraw/zinc/80/60/66/1072806066.db2.gz GWYMACGSGFCMFQ-UYAOXDASSA-N 1 1 493.678 1.119 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001507735773 1072806078 /nfs/dbraw/zinc/80/60/78/1072806078.db2.gz GWYMACGSGFCMFQ-QUCCMNQESA-N 1 1 493.678 1.119 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001507736309 1072807015 /nfs/dbraw/zinc/80/70/15/1072807015.db2.gz IARQKOUWYGELMJ-UHFFFAOYSA-N 1 1 464.618 1.334 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001507738012 1072809896 /nfs/dbraw/zinc/80/98/96/1072809896.db2.gz FRUDHZRHZONHTK-IRLDBZIGSA-N 1 1 472.634 1.986 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001507737927 1072810052 /nfs/dbraw/zinc/81/00/52/1072810052.db2.gz HEECWBFMFXZJAS-IBGZPJMESA-N 1 1 450.591 1.821 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CC[N@H+](C)CCOC)CC1 ZINC001507738416 1072810744 /nfs/dbraw/zinc/81/07/44/1072810744.db2.gz OMUNBFPGAGDHBU-UHFFFAOYSA-N 1 1 463.586 1.970 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001507738414 1072810765 /nfs/dbraw/zinc/81/07/65/1072810765.db2.gz OMRCPYVRXBPFKB-FQEVSTJZSA-N 1 1 450.591 1.965 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC[N@H+](C)CCCC)CC1 ZINC001507738526 1072810780 /nfs/dbraw/zinc/81/07/80/1072810780.db2.gz QPHSNCXJIKDCKU-UHFFFAOYSA-N 1 1 469.590 1.704 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001507738796 1072811413 /nfs/dbraw/zinc/81/14/13/1072811413.db2.gz YVFGAQAYOWFDDM-SIKLNZKXSA-N 1 1 477.613 1.716 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001507738794 1072811567 /nfs/dbraw/zinc/81/15/67/1072811567.db2.gz YVFGAQAYOWFDDM-DENIHFKCSA-N 1 1 477.613 1.716 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001507739930 1072814866 /nfs/dbraw/zinc/81/48/66/1072814866.db2.gz LXCZVCBQYVRMDJ-QFIPXVFZSA-N 1 1 465.602 1.077 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001507741463 1072819180 /nfs/dbraw/zinc/81/91/80/1072819180.db2.gz UGAHXEFVVOMENG-CUWPLCDZSA-N 1 1 458.607 1.451 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001507742250 1072819670 /nfs/dbraw/zinc/81/96/70/1072819670.db2.gz DNBXDQZMEAMFLC-XMMPIXPASA-N 1 1 454.550 1.040 20 30 JDEDMO C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001507744344 1072821261 /nfs/dbraw/zinc/82/12/61/1072821261.db2.gz KVWKZVCHEFYONC-OAHLLOKOSA-N 1 1 451.394 1.923 20 30 JDEDMO C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001507744344 1072821265 /nfs/dbraw/zinc/82/12/65/1072821265.db2.gz KVWKZVCHEFYONC-OAHLLOKOSA-N 1 1 451.394 1.923 20 30 JDEDMO C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001507751392 1072823843 /nfs/dbraw/zinc/82/38/43/1072823843.db2.gz NSVUJCVLDBYIQF-FQEVSTJZSA-N 1 1 462.664 1.919 20 30 JDEDMO C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001507751392 1072823845 /nfs/dbraw/zinc/82/38/45/1072823845.db2.gz NSVUJCVLDBYIQF-FQEVSTJZSA-N 1 1 462.664 1.919 20 30 JDEDMO C#CCSCCn1c(N2CC[C@@](C)([NH+]3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001507759090 1072826944 /nfs/dbraw/zinc/82/69/44/1072826944.db2.gz ZQBNRCDNAJFEOP-PKTZIBPZSA-N 1 1 463.648 1.986 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001507772180 1072828772 /nfs/dbraw/zinc/82/87/72/1072828772.db2.gz IHYIJARHHICQOK-DNVFCKCGSA-N 1 1 476.647 1.115 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001507772180 1072828774 /nfs/dbraw/zinc/82/87/74/1072828774.db2.gz IHYIJARHHICQOK-DNVFCKCGSA-N 1 1 476.647 1.115 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCC[C@H]1C ZINC001507771460 1072828873 /nfs/dbraw/zinc/82/88/73/1072828873.db2.gz AGOOSLYTMYPOEC-LVCYWYKZSA-N 1 1 450.609 1.087 20 30 JDEDMO C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001507781477 1072831754 /nfs/dbraw/zinc/83/17/54/1072831754.db2.gz AAWDBSFLSHUNCJ-ROUUACIJSA-N 1 1 475.391 1.993 20 30 JDEDMO C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001507781698 1072832122 /nfs/dbraw/zinc/83/21/22/1072832122.db2.gz GKVBFGOVIBMOAZ-INIZCTEOSA-N 1 1 480.411 1.272 20 30 JDEDMO C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001507781698 1072832125 /nfs/dbraw/zinc/83/21/25/1072832125.db2.gz GKVBFGOVIBMOAZ-INIZCTEOSA-N 1 1 480.411 1.272 20 30 JDEDMO C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001507790770 1072835001 /nfs/dbraw/zinc/83/50/01/1072835001.db2.gz DAJGLGVHFXSJCQ-NJDAHSKKSA-N 1 1 460.623 1.946 20 30 JDEDMO C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC[N@H+]1CC ZINC001507820459 1072842361 /nfs/dbraw/zinc/84/23/61/1072842361.db2.gz DMFMEDJZEXDHQK-MOPGFXCFSA-N 1 1 454.641 1.888 20 30 JDEDMO C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cc[nH+]c1C ZINC001507820943 1072842733 /nfs/dbraw/zinc/84/27/33/1072842733.db2.gz QHJVIJCEUKKAGT-GOSISDBHSA-N 1 1 451.597 1.609 20 30 JDEDMO C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001507884639 1072853766 /nfs/dbraw/zinc/85/37/66/1072853766.db2.gz KRILKTPGXVECQT-IBGZPJMESA-N 1 1 463.608 1.753 20 30 JDEDMO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001507897885 1072854667 /nfs/dbraw/zinc/85/46/67/1072854667.db2.gz UCVJCNBNTCYUKL-SFHVURJKSA-N 1 1 467.684 1.564 20 30 JDEDMO C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001507901616 1072854952 /nfs/dbraw/zinc/85/49/52/1072854952.db2.gz CFJKPNZRYPMUDK-OALUTQOASA-N 1 1 452.625 1.355 20 30 JDEDMO C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001507915751 1072855826 /nfs/dbraw/zinc/85/58/26/1072855826.db2.gz YOVKEQJMZXSKGH-RTBURBONSA-N 1 1 467.684 1.707 20 30 JDEDMO C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001507915748 1072855837 /nfs/dbraw/zinc/85/58/37/1072855837.db2.gz YOVKEQJMZXSKGH-MOPGFXCFSA-N 1 1 467.684 1.707 20 30 JDEDMO C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507925981 1072857112 /nfs/dbraw/zinc/85/71/12/1072857112.db2.gz NPDSEDZMMBNIBR-BJLQDIEVSA-N 1 1 481.667 1.233 20 30 JDEDMO C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001507983186 1072863368 /nfs/dbraw/zinc/86/33/68/1072863368.db2.gz PJIUPXXHYGVYKD-HXUWFJFHSA-N 1 1 460.604 1.292 20 30 JDEDMO C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC001507993191 1072864396 /nfs/dbraw/zinc/86/43/96/1072864396.db2.gz OUNKAMQKSLGASH-JPYJTQIMSA-N 1 1 462.595 1.808 20 30 JDEDMO C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001507994321 1072865122 /nfs/dbraw/zinc/86/51/22/1072865122.db2.gz ZLCROGDRGOMUSW-NSHGMRRFSA-N 1 1 496.678 1.654 20 30 JDEDMO C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001508059208 1072870952 /nfs/dbraw/zinc/87/09/52/1072870952.db2.gz QWHGFYGLIRJAOB-AZUAARDMSA-N 1 1 460.604 1.508 20 30 JDEDMO C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001508059209 1072871040 /nfs/dbraw/zinc/87/10/40/1072871040.db2.gz QWHGFYGLIRJAOB-ICSRJNTNSA-N 1 1 460.604 1.508 20 30 JDEDMO C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001508071740 1072872871 /nfs/dbraw/zinc/87/28/71/1072872871.db2.gz LUBUHCPWIRIIIS-UHFFFAOYSA-N 1 1 455.563 1.049 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001508083010 1072880863 /nfs/dbraw/zinc/88/08/63/1072880863.db2.gz YVJFHLZOUKCQKQ-BGYRXZFFSA-N 1 1 454.623 1.581 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001508083009 1072880880 /nfs/dbraw/zinc/88/08/80/1072880880.db2.gz YTRXDLXLHWVJOE-UHFFFAOYSA-N 1 1 451.579 1.258 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001508085321 1072882301 /nfs/dbraw/zinc/88/23/01/1072882301.db2.gz UARRMSGRRWHJJH-IBGZPJMESA-N 1 1 458.636 1.152 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001508086214 1072882565 /nfs/dbraw/zinc/88/25/65/1072882565.db2.gz KBRQMMMPHBTKMX-HDICACEKSA-N 1 1 494.600 1.040 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001508086214 1072882568 /nfs/dbraw/zinc/88/25/68/1072882568.db2.gz KBRQMMMPHBTKMX-HDICACEKSA-N 1 1 494.600 1.040 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001508089547 1072885185 /nfs/dbraw/zinc/88/51/85/1072885185.db2.gz CCHDKMSVFPHWMU-DEOSSOPVSA-N 1 1 454.575 1.769 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001508092230 1072887605 /nfs/dbraw/zinc/88/76/05/1072887605.db2.gz AMGCNQUBLSWCRY-UHFFFAOYSA-N 1 1 482.564 1.744 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001508095265 1072890892 /nfs/dbraw/zinc/89/08/92/1072890892.db2.gz UXYAVEFMXRPWJX-GOSISDBHSA-N 1 1 458.538 1.599 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001508095266 1072890960 /nfs/dbraw/zinc/89/09/60/1072890960.db2.gz UXYAVEFMXRPWJX-SFHVURJKSA-N 1 1 458.538 1.599 20 30 JDEDMO C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508109485 1072896636 /nfs/dbraw/zinc/89/66/36/1072896636.db2.gz SJGZSFFPQQWYEK-VQTJNVASSA-N 1 1 473.622 1.238 20 30 JDEDMO C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508116694 1072897610 /nfs/dbraw/zinc/89/76/10/1072897610.db2.gz IHCSXMKYQUWQBQ-ICSRJNTNSA-N 1 1 454.579 1.459 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001508125537 1072900319 /nfs/dbraw/zinc/90/03/19/1072900319.db2.gz PJCXBGMDWRIVPV-HBMCJLEFSA-N 1 1 496.678 1.657 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001508127668 1072901094 /nfs/dbraw/zinc/90/10/94/1072901094.db2.gz WCLOWAZOAPBYFW-RTWAWAEBSA-N 1 1 496.678 1.657 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001508129476 1072902084 /nfs/dbraw/zinc/90/20/84/1072902084.db2.gz CMIAGPLEFGGOTQ-SFHVURJKSA-N 1 1 487.630 1.837 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001508130475 1072902664 /nfs/dbraw/zinc/90/26/64/1072902664.db2.gz IGMNAGGFXHVIPQ-UHFFFAOYSA-N 1 1 474.631 1.729 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001508130475 1072902669 /nfs/dbraw/zinc/90/26/69/1072902669.db2.gz IGMNAGGFXHVIPQ-UHFFFAOYSA-N 1 1 474.631 1.729 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001508131522 1072904232 /nfs/dbraw/zinc/90/42/32/1072904232.db2.gz NMRLVTJZYXZPOH-UHFFFAOYSA-N 1 1 466.652 1.673 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001508133942 1072905710 /nfs/dbraw/zinc/90/57/10/1072905710.db2.gz PXEJUBPFOASYHL-UHFFFAOYSA-N 1 1 484.626 1.966 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001508135822 1072908830 /nfs/dbraw/zinc/90/88/30/1072908830.db2.gz MNLAQVOVABOSLM-HXUWFJFHSA-N 1 1 472.615 1.289 20 30 JDEDMO C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001508148013 1072927150 /nfs/dbraw/zinc/92/71/50/1072927150.db2.gz PDEHNWYBXPLRNZ-GOSISDBHSA-N 1 1 484.630 1.587 20 30 JDEDMO C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001508148316 1072927869 /nfs/dbraw/zinc/92/78/69/1072927869.db2.gz RGXZXJDGFPEQJD-AZUAARDMSA-N 1 1 475.663 1.422 20 30 JDEDMO C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001508148321 1072928007 /nfs/dbraw/zinc/92/80/07/1072928007.db2.gz RGXZXJDGFPEQJD-QUCCMNQESA-N 1 1 475.663 1.422 20 30 JDEDMO C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001508160712 1072931641 /nfs/dbraw/zinc/93/16/41/1072931641.db2.gz HYNFWBNEUMWYQO-BZSNNMDCSA-N 1 1 472.681 1.449 20 30 JDEDMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001508184765 1072948462 /nfs/dbraw/zinc/94/84/62/1072948462.db2.gz CQDBKPZRQMWROF-GHTZIAJQSA-N 1 1 451.575 1.842 20 30 JDEDMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001508184765 1072948489 /nfs/dbraw/zinc/94/84/89/1072948489.db2.gz CQDBKPZRQMWROF-GHTZIAJQSA-N 1 1 451.575 1.842 20 30 JDEDMO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001508257463 1073026858 /nfs/dbraw/zinc/02/68/58/1073026858.db2.gz CCNMWKMDYFNUBV-HSZRJFAPSA-N 1 1 481.601 1.754 20 30 JDEDMO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001508259377 1073027935 /nfs/dbraw/zinc/02/79/35/1073027935.db2.gz JMWAJBCGZDPMIX-NRFANRHFSA-N 1 1 467.574 1.244 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001508273084 1073041217 /nfs/dbraw/zinc/04/12/17/1073041217.db2.gz CATVESCQIWDLFU-HNNXBMFYSA-N 1 1 477.411 1.806 20 30 JDEDMO CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001508389916 1073199318 /nfs/dbraw/zinc/19/93/18/1073199318.db2.gz NOYFQBWGFHVOSA-MBSDFSHPSA-N 1 1 478.601 1.332 20 30 JDEDMO CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001508623555 1073290454 /nfs/dbraw/zinc/29/04/54/1073290454.db2.gz MCLDHWMBRKIATB-IBGZPJMESA-N 1 1 467.574 1.554 20 30 JDEDMO CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001508623555 1073290459 /nfs/dbraw/zinc/29/04/59/1073290459.db2.gz MCLDHWMBRKIATB-IBGZPJMESA-N 1 1 467.574 1.554 20 30 JDEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001509416813 1073593288 /nfs/dbraw/zinc/59/32/88/1073593288.db2.gz ZNUNRGKMRORULZ-NNMXDRDESA-N 1 1 497.641 1.421 20 30 JDEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001509416811 1073593637 /nfs/dbraw/zinc/59/36/37/1073593637.db2.gz ZNUNRGKMRORULZ-IPJJNNNSSA-N 1 1 497.641 1.421 20 30 JDEDMO CC(C)COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509451854 1073636667 /nfs/dbraw/zinc/63/66/67/1073636667.db2.gz QUECTCRDAGKZKJ-VWLOTQADSA-N 1 1 497.600 1.710 20 30 JDEDMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 ZINC001509513022 1073658516 /nfs/dbraw/zinc/65/85/16/1073658516.db2.gz PAXBHSYZMFRMTJ-RTWAWAEBSA-N 1 1 472.615 1.797 20 30 JDEDMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 ZINC001509513010 1073658575 /nfs/dbraw/zinc/65/85/75/1073658575.db2.gz PAXBHSYZMFRMTJ-LEWJYISDSA-N 1 1 472.615 1.797 20 30 JDEDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001509513070 1073658630 /nfs/dbraw/zinc/65/86/30/1073658630.db2.gz PJKFOQUWAKHASR-DEOSSOPVSA-N 1 1 486.642 1.923 20 30 JDEDMO CC(C)[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001509520966 1073665145 /nfs/dbraw/zinc/66/51/45/1073665145.db2.gz BQICQEILNWJJQF-FQEVSTJZSA-N 1 1 464.574 1.924 20 30 JDEDMO CC(C)[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001509520971 1073665459 /nfs/dbraw/zinc/66/54/59/1073665459.db2.gz BQICQEILNWJJQF-HXUWFJFHSA-N 1 1 464.574 1.924 20 30 JDEDMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001509562606 1073684593 /nfs/dbraw/zinc/68/45/93/1073684593.db2.gz GBVHYJAQGPPBKG-FCQUAONHSA-N 1 1 464.574 1.711 20 30 JDEDMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001509580449 1073701683 /nfs/dbraw/zinc/70/16/83/1073701683.db2.gz WIMREGXWDGCURT-IBGZPJMESA-N 1 1 453.595 1.762 20 30 JDEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165002199 722237681 /nfs/dbraw/zinc/23/76/81/722237681.db2.gz QXCFWBCLARWUSH-GOSISDBHSA-N 1 1 472.553 1.557 20 30 JDEDMO C[NH+]1CCN(c2ncnc3c2CCN(c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)CC3)CC1 ZINC001165002547 722239235 /nfs/dbraw/zinc/23/92/35/722239235.db2.gz VEECUGSBFDJLNC-GOSISDBHSA-N 1 1 464.574 1.572 20 30 JDEDMO CCC[N@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC001500958452 1069339887 /nfs/dbraw/zinc/33/98/87/1069339887.db2.gz RXQKZZXPAAXNAH-RTBURBONSA-N 1 1 453.595 1.923 20 30 JDEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001500993474 1069349314 /nfs/dbraw/zinc/34/93/14/1069349314.db2.gz HCVRLBIEQRZGGQ-OTWHNJEPSA-N 1 1 467.640 1.471 20 30 JDEDMO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001475620760 1069507642 /nfs/dbraw/zinc/50/76/42/1069507642.db2.gz QZVFLQJHKJYSIK-KRWDZBQOSA-N 1 1 457.394 1.396 20 30 JDEDMO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001475620760 1069507653 /nfs/dbraw/zinc/50/76/53/1069507653.db2.gz QZVFLQJHKJYSIK-KRWDZBQOSA-N 1 1 457.394 1.396 20 30 JDEDMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC001475683033 1069524331 /nfs/dbraw/zinc/52/43/31/1069524331.db2.gz DVUAIJHNPMHZMD-GOSISDBHSA-N 1 1 457.512 1.130 20 30 JDEDMO CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001501431903 1069530790 /nfs/dbraw/zinc/53/07/90/1069530790.db2.gz ICPDLNWLXLEVRU-UHFFFAOYSA-N 1 1 469.590 1.754 20 30 JDEDMO CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001501431903 1069530798 /nfs/dbraw/zinc/53/07/98/1069530798.db2.gz ICPDLNWLXLEVRU-UHFFFAOYSA-N 1 1 469.590 1.754 20 30 JDEDMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 ZINC001501495804 1069541726 /nfs/dbraw/zinc/54/17/26/1069541726.db2.gz PGNUNHYGCHUZNA-VQTJNVASSA-N 1 1 458.588 1.409 20 30 JDEDMO CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001501753125 1069606816 /nfs/dbraw/zinc/60/68/16/1069606816.db2.gz RCBHARRCTGCREB-OAQYLSRUSA-N 1 1 451.575 1.986 20 30 JDEDMO CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001501753125 1069606838 /nfs/dbraw/zinc/60/68/38/1069606838.db2.gz RCBHARRCTGCREB-OAQYLSRUSA-N 1 1 451.575 1.986 20 30 JDEDMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)CC1 ZINC001476375935 1069699078 /nfs/dbraw/zinc/69/90/78/1069699078.db2.gz BDVPIHFJMJRDAP-UHFFFAOYSA-N 1 1 450.547 1.937 20 30 JDEDMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C ZINC001502185200 1069845774 /nfs/dbraw/zinc/84/57/74/1069845774.db2.gz XMEKKOICMHJTMM-GOSISDBHSA-N 1 1 468.610 1.523 20 30 JDEDMO CN1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2)CC1 ZINC001477771650 1069856233 /nfs/dbraw/zinc/85/62/33/1069856233.db2.gz IOAQYZMXHXMWKK-RTWAWAEBSA-N 1 1 456.591 1.992 20 30 JDEDMO CC[N@@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1)C(C)C ZINC001502204214 1069858187 /nfs/dbraw/zinc/85/81/87/1069858187.db2.gz KHUIBVIIVQZHGZ-UHFFFAOYSA-N 1 1 454.579 1.920 20 30 JDEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001502250082 1069932957 /nfs/dbraw/zinc/93/29/57/1069932957.db2.gz TXPVMIXBHREBDB-ZWKOTPCHSA-N 1 1 460.604 1.797 20 30 JDEDMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC001502259829 1069959460 /nfs/dbraw/zinc/95/94/60/1069959460.db2.gz QXLHRUMTKUWENI-JOTDFLBESA-N 1 1 464.574 1.709 20 30 JDEDMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC001502259832 1069960164 /nfs/dbraw/zinc/96/01/64/1069960164.db2.gz QXLHRUMTKUWENI-ZTHCVNGTSA-N 1 1 464.574 1.709 20 30 JDEDMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)COC)CC2)C1 ZINC001502273820 1069999689 /nfs/dbraw/zinc/99/96/89/1069999689.db2.gz WUFQLQPQDGLSEA-IBGZPJMESA-N 1 1 451.575 1.890 20 30 JDEDMO Cc1ccc(-n2nc(CCCNC(=O)NCCN3CC[N@H+](C)C(C)(C)C3)c(C#N)c2N)cc1 ZINC001478519447 1070011293 /nfs/dbraw/zinc/01/12/93/1070011293.db2.gz BQJLOKQFMJTTDZ-UHFFFAOYSA-N 1 1 452.607 1.892 20 30 JDEDMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 ZINC001502290510 1070028847 /nfs/dbraw/zinc/02/88/47/1070028847.db2.gz JLBNCECUTMQDGP-NRFANRHFSA-N 1 1 453.591 1.981 20 30 JDEDMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001502292382 1070033772 /nfs/dbraw/zinc/03/37/72/1070033772.db2.gz QKTCFCFSIOGQPX-IBGZPJMESA-N 1 1 482.637 1.531 20 30 JDEDMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001502296964 1070040543 /nfs/dbraw/zinc/04/05/43/1070040543.db2.gz RCXCRENKSNVLPD-KURKYZTESA-N 1 1 453.613 1.081 20 30 JDEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001502320790 1070140514 /nfs/dbraw/zinc/14/05/14/1070140514.db2.gz OVAQQNVMCPGTSB-QGZVFWFLSA-N 1 1 458.588 1.287 20 30 JDEDMO CC[N@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H]1C ZINC001502331186 1070166342 /nfs/dbraw/zinc/16/63/42/1070166342.db2.gz KVLTYSLINYLIJU-HXUWFJFHSA-N 1 1 453.591 1.981 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001502338773 1070217438 /nfs/dbraw/zinc/21/74/38/1070217438.db2.gz ZPPPIMWPTVCMNO-JPYJTQIMSA-N 1 1 469.569 1.641 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502339794 1070218815 /nfs/dbraw/zinc/21/88/15/1070218815.db2.gz BZEVCZBSHNXXMG-SIKLNZKXSA-N 1 1 480.617 1.042 20 30 JDEDMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001493168365 1070228424 /nfs/dbraw/zinc/22/84/24/1070228424.db2.gz DKVJOBWJKCQHDV-GHTZIAJQSA-N 1 1 478.601 1.426 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 ZINC001502342818 1070232444 /nfs/dbraw/zinc/23/24/44/1070232444.db2.gz FFPGTEHTXKNSSF-OAQYLSRUSA-N 1 1 496.708 1.990 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502347115 1070261401 /nfs/dbraw/zinc/26/14/01/1070261401.db2.gz UXBPMIAOXPUXNF-FQEVSTJZSA-N 1 1 494.644 1.704 20 30 JDEDMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 ZINC001502349018 1070264827 /nfs/dbraw/zinc/26/48/27/1070264827.db2.gz KJVNOSADFDUIOF-SFHVURJKSA-N 1 1 466.656 1.046 20 30 JDEDMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502349392 1070267072 /nfs/dbraw/zinc/26/70/72/1070267072.db2.gz WKLGYWDIZQHMTM-XMMPIXPASA-N 1 1 494.644 1.576 20 30 JDEDMO CC[NH+]1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502354139 1070279860 /nfs/dbraw/zinc/27/98/60/1070279860.db2.gz AACSTCLIHFDLQH-VWLOTQADSA-N 1 1 464.618 1.807 20 30 JDEDMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001493796544 1070348833 /nfs/dbraw/zinc/34/88/33/1070348833.db2.gz LPGFAJPOTBDZMC-QUCCMNQESA-N 1 1 487.630 1.656 20 30 JDEDMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001493845770 1070359453 /nfs/dbraw/zinc/35/94/53/1070359453.db2.gz ODBNCWSSYBVLKF-IBGZPJMESA-N 1 1 450.591 1.511 20 30 JDEDMO CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001502435473 1070396157 /nfs/dbraw/zinc/39/61/57/1070396157.db2.gz CZLFAFRITHQLDR-FQEVSTJZSA-N 1 1 480.617 1.471 20 30 JDEDMO CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001502435474 1070396245 /nfs/dbraw/zinc/39/62/45/1070396245.db2.gz CZLFAFRITHQLDR-HXUWFJFHSA-N 1 1 480.617 1.471 20 30 JDEDMO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C(F)(F)F)O1 ZINC001494470757 1070599439 /nfs/dbraw/zinc/59/94/39/1070599439.db2.gz ZSXNCBMXUHQNAS-FQELHTAISA-N 1 1 480.491 1.951 20 30 JDEDMO C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC(=O)N1C ZINC001494481089 1070600243 /nfs/dbraw/zinc/60/02/43/1070600243.db2.gz ZBEAVTCTMXJHDK-FPOVZHCZSA-N 1 1 481.601 1.633 20 30 JDEDMO C[C@H]1C[N@@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCCO1 ZINC001494524249 1070617513 /nfs/dbraw/zinc/61/75/13/1070617513.db2.gz PRYSBRAFGDCPAC-FQEVSTJZSA-N 1 1 481.601 1.613 20 30 JDEDMO C[C@H]1C[N@@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCCO1 ZINC001494537107 1070629084 /nfs/dbraw/zinc/62/90/84/1070629084.db2.gz QULCJDXGUGOHSK-IBGZPJMESA-N 1 1 481.601 1.931 20 30 JDEDMO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC001494537753 1070630102 /nfs/dbraw/zinc/63/01/02/1070630102.db2.gz SPFUTDHNYPTCCD-KDURUIRLSA-N 1 1 467.574 1.506 20 30 JDEDMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001502525638 1070643780 /nfs/dbraw/zinc/64/37/80/1070643780.db2.gz XANBIQBBBAPOBY-AUSIDOKSSA-N 1 1 453.547 1.598 20 30 JDEDMO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001502534262 1070657808 /nfs/dbraw/zinc/65/78/08/1070657808.db2.gz CSACILAHDXUHGN-CYFREDJKSA-N 1 1 483.573 1.510 20 30 JDEDMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001496117386 1070831009 /nfs/dbraw/zinc/83/10/09/1070831009.db2.gz SKRXKOHZSACPKM-MSOLQXFVSA-N 1 1 489.650 1.212 20 30 JDEDMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001496117389 1070831090 /nfs/dbraw/zinc/83/10/90/1070831090.db2.gz SKRXKOHZSACPKM-ROUUACIJSA-N 1 1 489.650 1.212 20 30 JDEDMO CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CC[NH+](CC)CC2)CCOC1 ZINC001502729746 1070840571 /nfs/dbraw/zinc/84/05/71/1070840571.db2.gz SJJPXOKEZQRCFR-NFBKMPQASA-N 1 1 461.611 1.077 20 30 JDEDMO CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CC[NH+](CC)CC2)CCOC1 ZINC001502729749 1070840776 /nfs/dbraw/zinc/84/07/76/1070840776.db2.gz SJJPXOKEZQRCFR-REWPJTCUSA-N 1 1 461.611 1.077 20 30 JDEDMO COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1OC ZINC001504201861 1070882671 /nfs/dbraw/zinc/88/26/71/1070882671.db2.gz BPUPHRQBRFXXBH-OAQYLSRUSA-N 1 1 483.617 1.965 20 30 JDEDMO CCOC1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)([NH+]2CCOCC2)C1 ZINC001502939544 1070895376 /nfs/dbraw/zinc/89/53/76/1070895376.db2.gz XOKHNFRFNQRXIJ-MFDWQKDMSA-N 1 1 481.601 1.787 20 30 JDEDMO CCOC1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)([NH+]2CCOCC2)C1 ZINC001502939543 1070895426 /nfs/dbraw/zinc/89/54/26/1070895426.db2.gz XOKHNFRFNQRXIJ-HHIIEYADSA-N 1 1 481.601 1.787 20 30 JDEDMO CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001503151501 1071105645 /nfs/dbraw/zinc/10/56/45/1071105645.db2.gz VUOKDIDGCYAIAD-NRFANRHFSA-N 1 1 451.575 1.844 20 30 JDEDMO CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1CC ZINC001503218696 1071170426 /nfs/dbraw/zinc/17/04/26/1071170426.db2.gz POBHWMGCDWHDBK-DHLKQENFSA-N 1 1 467.618 1.820 20 30 JDEDMO CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1CC ZINC001503218696 1071170438 /nfs/dbraw/zinc/17/04/38/1071170438.db2.gz POBHWMGCDWHDBK-DHLKQENFSA-N 1 1 467.618 1.820 20 30 JDEDMO CCS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001503276632 1071391261 /nfs/dbraw/zinc/39/12/61/1071391261.db2.gz ALFSZGCPOQCQLX-OAQYLSRUSA-N 1 1 487.630 1.653 20 30 JDEDMO COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504581653 1071406464 /nfs/dbraw/zinc/40/64/64/1071406464.db2.gz SDOSDIYPUOXTDC-HXUWFJFHSA-N 1 1 455.563 1.272 20 30 JDEDMO CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001503280303 1071420797 /nfs/dbraw/zinc/42/07/97/1071420797.db2.gz LPUATQMZNARGLG-QFIPXVFZSA-N 1 1 473.603 1.057 20 30 JDEDMO CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001503281020 1071424821 /nfs/dbraw/zinc/42/48/21/1071424821.db2.gz FVVYEXMBWWBLLX-UHFFFAOYSA-N 1 1 457.604 1.679 20 30 JDEDMO COC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504591360 1071432956 /nfs/dbraw/zinc/43/29/56/1071432956.db2.gz VHPQHPUKMZDQAT-NRFANRHFSA-N 1 1 450.547 1.534 20 30 JDEDMO CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001503283066 1071442983 /nfs/dbraw/zinc/44/29/83/1071442983.db2.gz XQZPGILNNPXRKS-UHFFFAOYSA-N 1 1 497.629 1.202 20 30 JDEDMO COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001504599546 1071450226 /nfs/dbraw/zinc/45/02/26/1071450226.db2.gz GMTAHUGKYBKNKX-NRFANRHFSA-N 1 1 469.565 1.936 20 30 JDEDMO COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001504599546 1071450255 /nfs/dbraw/zinc/45/02/55/1071450255.db2.gz GMTAHUGKYBKNKX-NRFANRHFSA-N 1 1 469.565 1.936 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 ZINC001503359681 1071570887 /nfs/dbraw/zinc/57/08/87/1071570887.db2.gz NACFVWBERFBACH-NHCUHLMSSA-N 1 1 462.558 1.488 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001503359832 1071571398 /nfs/dbraw/zinc/57/13/98/1071571398.db2.gz NXWINJQXEXOZCC-NHCUHLMSSA-N 1 1 499.641 1.383 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001503359832 1071571411 /nfs/dbraw/zinc/57/14/11/1071571411.db2.gz NXWINJQXEXOZCC-NHCUHLMSSA-N 1 1 499.641 1.383 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2cnccn2)nnc1N1CCC(C)(C#N)CC1 ZINC001503361687 1071578794 /nfs/dbraw/zinc/57/87/94/1071578794.db2.gz XWLCRJAPVKFLCG-IBGZPJMESA-N 1 1 451.579 1.808 20 30 JDEDMO CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001503366514 1071593008 /nfs/dbraw/zinc/59/30/08/1071593008.db2.gz BHJPAUNOFKHVQO-UHFFFAOYSA-N 1 1 469.590 1.754 20 30 JDEDMO CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001503366514 1071593014 /nfs/dbraw/zinc/59/30/14/1071593014.db2.gz BHJPAUNOFKHVQO-UHFFFAOYSA-N 1 1 469.590 1.754 20 30 JDEDMO COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC001504737460 1071614568 /nfs/dbraw/zinc/61/45/68/1071614568.db2.gz ZYNHZRKLNSRSMJ-NYDSKATKSA-N 1 1 456.547 1.035 20 30 JDEDMO COCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504755779 1071643176 /nfs/dbraw/zinc/64/31/76/1071643176.db2.gz KOPWBUDFUBCMEK-OFVILXPXSA-N 1 1 481.601 1.601 20 30 JDEDMO COCCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001504815731 1071688624 /nfs/dbraw/zinc/68/86/24/1071688624.db2.gz XNVXAHGHLICWKS-FQEVSTJZSA-N 1 1 452.563 1.341 20 30 JDEDMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001503408035 1071689295 /nfs/dbraw/zinc/68/92/95/1071689295.db2.gz ARELSPPHWMAUDL-JOCHJYFZSA-N 1 1 473.578 1.899 20 30 JDEDMO CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[N@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001503415514 1071703710 /nfs/dbraw/zinc/70/37/10/1071703710.db2.gz MCXDZUDWADUWFA-PMACEKPBSA-N 1 1 458.588 1.287 20 30 JDEDMO CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[N@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001503415515 1071704401 /nfs/dbraw/zinc/70/44/01/1071704401.db2.gz MCXDZUDWADUWFA-UXHICEINSA-N 1 1 458.588 1.287 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001504848439 1071744667 /nfs/dbraw/zinc/74/46/67/1071744667.db2.gz BEVTVDMZPARHRN-UHFFFAOYSA-N 1 1 451.575 1.892 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001504848544 1071744682 /nfs/dbraw/zinc/74/46/82/1071744682.db2.gz GCGJONPDQZNBKP-UHFFFAOYSA-N 1 1 463.590 1.845 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001504850388 1071748563 /nfs/dbraw/zinc/74/85/63/1071748563.db2.gz DRQHOHYBVAMFMQ-SFHVURJKSA-N 1 1 464.578 1.618 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001504850876 1071749334 /nfs/dbraw/zinc/74/93/34/1071749334.db2.gz IDUWYYCOQCNFDI-UHFFFAOYSA-N 1 1 463.590 1.845 20 30 JDEDMO COCC[N@@H+](C)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 ZINC001504851031 1071749628 /nfs/dbraw/zinc/74/96/28/1071749628.db2.gz MRWWJEIYKPCKRB-MBSDFSHPSA-N 1 1 495.600 1.997 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001504851306 1071750393 /nfs/dbraw/zinc/75/03/93/1071750393.db2.gz KZIMXULOIOYVQI-HSZRJFAPSA-N 1 1 472.615 1.800 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001504854196 1071763008 /nfs/dbraw/zinc/76/30/08/1071763008.db2.gz GDLZRVRHJJUIHR-DEOSSOPVSA-N 1 1 453.591 1.696 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001504856024 1071768306 /nfs/dbraw/zinc/76/83/06/1071768306.db2.gz XEACRRGHUMPKLZ-UHFFFAOYSA-N 1 1 471.569 1.988 20 30 JDEDMO C[N@@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CCCC1 ZINC001503610303 1071893895 /nfs/dbraw/zinc/89/38/95/1071893895.db2.gz FMGYLYNYKRWVHP-LJQANCHMSA-N 1 1 465.624 1.225 20 30 JDEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CCNC(=O)C1N=CC=CC1=O ZINC001503619060 1071908452 /nfs/dbraw/zinc/90/84/52/1071908452.db2.gz RACDSDRZXOIJBI-XUTLUUPISA-N 1 1 468.562 1.347 20 30 JDEDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CCNC(=O)C1N=CC=CC1=O ZINC001503619060 1071908454 /nfs/dbraw/zinc/90/84/54/1071908454.db2.gz RACDSDRZXOIJBI-XUTLUUPISA-N 1 1 468.562 1.347 20 30 JDEDMO COCC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001504925816 1071914901 /nfs/dbraw/zinc/91/49/01/1071914901.db2.gz OATQEGRGVDDDOG-XMMPIXPASA-N 1 1 466.542 1.998 20 30 JDEDMO COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001504927422 1071922979 /nfs/dbraw/zinc/92/29/79/1071922979.db2.gz WSHIRDHJNVJRIL-OAQYLSRUSA-N 1 1 497.644 1.996 20 30 JDEDMO CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001503625331 1071934338 /nfs/dbraw/zinc/93/43/38/1071934338.db2.gz OPQMLVPOUYOTPC-GOSISDBHSA-N 1 1 484.586 1.173 20 30 JDEDMO COCCO[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccc(C#N)o1 ZINC001504941906 1071984740 /nfs/dbraw/zinc/98/47/40/1071984740.db2.gz BWDIKQUCYGANND-YYDVJCTNSA-N 1 1 499.616 1.894 20 30 JDEDMO C[N@H+]1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001503681484 1072013072 /nfs/dbraw/zinc/01/30/72/1072013072.db2.gz UAQMXFZRKNTJGY-FXAWDEMLSA-N 1 1 466.464 1.563 20 30 JDEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 ZINC001503683976 1072017342 /nfs/dbraw/zinc/01/73/42/1072017342.db2.gz XWRONLQMSFOTDM-NRFANRHFSA-N 1 1 451.575 1.722 20 30 JDEDMO CNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001503697151 1072038244 /nfs/dbraw/zinc/03/82/44/1072038244.db2.gz ZUIALEDEYIYQNB-FQEVSTJZSA-N 1 1 451.575 1.748 20 30 JDEDMO CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001503697732 1072039426 /nfs/dbraw/zinc/03/94/26/1072039426.db2.gz LDKZIZSRGHELEM-UHFFFAOYSA-N 1 1 478.601 1.367 20 30 JDEDMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1COCCO1 ZINC001504995557 1072065196 /nfs/dbraw/zinc/06/51/96/1072065196.db2.gz OPUGTIYEHYCSBJ-DENIHFKCSA-N 1 1 470.574 1.611 20 30 JDEDMO CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001505131906 1072304080 /nfs/dbraw/zinc/30/40/80/1072304080.db2.gz YMTGBSNPDGAJBK-IBGZPJMESA-N 1 1 458.588 1.410 20 30 JDEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC001465328522 1067781411 /nfs/dbraw/zinc/78/14/11/1067781411.db2.gz NAEULJWPJCJYFS-OALUTQOASA-N 1 1 455.584 1.552 20 30 JDEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC001465826580 1067834444 /nfs/dbraw/zinc/83/44/44/1067834444.db2.gz ZTMNLEQBGBJVOW-IBGZPJMESA-N 1 1 457.552 1.620 20 30 JDEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC001465826580 1067834446 /nfs/dbraw/zinc/83/44/46/1067834446.db2.gz ZTMNLEQBGBJVOW-IBGZPJMESA-N 1 1 457.552 1.620 20 30 JDEDMO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001466133197 1067863618 /nfs/dbraw/zinc/86/36/18/1067863618.db2.gz SBSKSGFMAHJMBE-XJABCFGWSA-N 1 1 456.568 1.224 20 30 JDEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2I)CC1 ZINC001467297950 1068000069 /nfs/dbraw/zinc/00/00/69/1068000069.db2.gz CFMDHGQEQPOJOK-UHFFFAOYSA-N 1 1 455.300 1.837 20 30 JDEDMO Cc1ccc(-n2nc(CCCNC(=O)NCCC(=O)N3CC[NH+](C)CC3)c(C#N)c2N)cc1 ZINC001467633328 1068040314 /nfs/dbraw/zinc/04/03/14/1068040314.db2.gz WDPCYKCOYRFRMU-UHFFFAOYSA-N 1 1 452.563 1.031 20 30 JDEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC001467727514 1068057892 /nfs/dbraw/zinc/05/78/92/1068057892.db2.gz JRHIEGIPNBSISX-UHFFFAOYSA-N 1 1 454.568 1.258 20 30 JDEDMO O=C(NCCNC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1N=CC=CC1=O ZINC001468616184 1068325943 /nfs/dbraw/zinc/32/59/43/1068325943.db2.gz YWEMAJUZDHQIPB-UXDFZSADSA-N 1 1 452.559 1.115 20 30 JDEDMO C=CC[C@@]1(C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)CCCN1C(=O)OC(C)(C)C ZINC001468667787 1068341515 /nfs/dbraw/zinc/34/15/15/1068341515.db2.gz BMELPDLRJPMATM-MBSDFSHPSA-N 1 1 452.596 1.628 20 30 JDEDMO C=CC[C@@]1(C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)CCCN1C(=O)OC(C)(C)C ZINC001468667784 1068341775 /nfs/dbraw/zinc/34/17/75/1068341775.db2.gz BMELPDLRJPMATM-JPYJTQIMSA-N 1 1 452.596 1.628 20 30 JDEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CCOCC2)c1 ZINC001472130549 1068955794 /nfs/dbraw/zinc/95/57/94/1068955794.db2.gz AGBMXSHKACUJKB-UHFFFAOYSA-N 1 1 455.580 1.963 20 30 JDEDMO N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001472593598 1069036306 /nfs/dbraw/zinc/03/63/06/1069036306.db2.gz FDIMXDVBGOHYQE-YADHBBJMSA-N 1 1 454.552 1.338 20 30 JDEDMO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](C)CCOC)C[C@H]1N1CCOCC1 ZINC001499682267 1069041814 /nfs/dbraw/zinc/04/18/14/1069041814.db2.gz YFEDXAKXSQASRW-JTHBVZDNSA-N 1 1 467.618 1.942 20 30 JDEDMO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC[N@H+]1CCOC ZINC001499696335 1069044435 /nfs/dbraw/zinc/04/44/35/1069044435.db2.gz HQOGDYVXWYWWJA-HYBUGGRVSA-N 1 1 451.575 1.842 20 30 JDEDMO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1CCOC ZINC001499700895 1069045482 /nfs/dbraw/zinc/04/54/82/1069045482.db2.gz MAWFGSQGDGAAPL-FQEVSTJZSA-N 1 1 475.619 1.255 20 30 JDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C3CCN(C(=O)c4ccccc4)CC3)CC2)o1 ZINC001473261929 1069110258 /nfs/dbraw/zinc/11/02/58/1069110258.db2.gz NVQUMHQJVLOURO-UHFFFAOYSA-N 1 1 450.543 1.740 20 30 JDEDMO CCC[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001499937372 1069134550 /nfs/dbraw/zinc/13/45/50/1069134550.db2.gz DNAVDEBTSUXGLT-WZONZLPQSA-N 1 1 489.646 1.633 20 30 JDEDMO CCC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001499937368 1069134597 /nfs/dbraw/zinc/13/45/97/1069134597.db2.gz DNAVDEBTSUXGLT-JPYJTQIMSA-N 1 1 489.646 1.633 20 30 JDEDMO CCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001499937370 1069134765 /nfs/dbraw/zinc/13/47/65/1069134765.db2.gz DNAVDEBTSUXGLT-MBSDFSHPSA-N 1 1 489.646 1.633 20 30 JDEDMO CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC(=O)N1CC[NH+](C)CC1 ZINC001473683931 1069208177 /nfs/dbraw/zinc/20/81/77/1069208177.db2.gz YTSGYIILWLPVGX-GOSISDBHSA-N 1 1 456.591 1.062 20 30 JDEDMO CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(=O)N1CC[NH+](C)CC1 ZINC001473683932 1069208532 /nfs/dbraw/zinc/20/85/32/1069208532.db2.gz YTSGYIILWLPVGX-SFHVURJKSA-N 1 1 456.591 1.062 20 30 JDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(NC(=O)c4cccc(C)c4)CC3)CC2)o1 ZINC001473685586 1069209460 /nfs/dbraw/zinc/20/94/60/1069209460.db2.gz ZWPPROFMZQGXNU-UHFFFAOYSA-N 1 1 450.543 1.706 20 30 JDEDMO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001500248826 1069221865 /nfs/dbraw/zinc/22/18/65/1069221865.db2.gz DGCYVRVMPUGJQW-QFIPXVFZSA-N 1 1 451.575 1.986 20 30 JDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@]34CCN(C(=O)OC(C)(C)C)C4)CC2)o1 ZINC001473871106 1069234766 /nfs/dbraw/zinc/23/47/66/1069234766.db2.gz QDRHIJCFGYTXKJ-QHCPKHFHSA-N 1 1 458.563 1.979 20 30 JDEDMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001500407451 1069244974 /nfs/dbraw/zinc/24/49/74/1069244974.db2.gz MQANJCOKZIEOLK-IBGZPJMESA-N 1 1 480.621 1.623 20 30 JDEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCCCO)CC2)cc1 ZINC001505316067 1072481467 /nfs/dbraw/zinc/48/14/67/1072481467.db2.gz FEMGNCLPUJEWCT-OAQYLSRUSA-N 1 1 467.574 1.212 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001507516366 1072594293 /nfs/dbraw/zinc/59/42/93/1072594293.db2.gz BXGQQNGPFBXGRE-MJGOQNOKSA-N 1 1 473.647 1.851 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001507539225 1072603527 /nfs/dbraw/zinc/60/35/27/1072603527.db2.gz SNEPNTYDUDAHFZ-NQIIRXRSSA-N 1 1 457.600 1.519 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001507539224 1072603754 /nfs/dbraw/zinc/60/37/54/1072603754.db2.gz SNEPNTYDUDAHFZ-GHTZIAJQSA-N 1 1 457.600 1.519 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001507547817 1072607534 /nfs/dbraw/zinc/60/75/34/1072607534.db2.gz NKFQTKCFQKQRIW-IBGZPJMESA-N 1 1 474.569 1.932 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001507549599 1072610145 /nfs/dbraw/zinc/61/01/45/1072610145.db2.gz IVMAAXSKDZNFFE-UHFFFAOYSA-N 1 1 476.585 1.846 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001507549841 1072611244 /nfs/dbraw/zinc/61/12/44/1072611244.db2.gz QJIXSISNGBWUJR-UIOOFZCWSA-N 1 1 496.612 1.442 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001507551016 1072613311 /nfs/dbraw/zinc/61/33/11/1072613311.db2.gz UDRFAUZOKHZBAF-FGZHOGPDSA-N 1 1 493.612 1.642 20 30 JDEDMO C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507571954 1072625931 /nfs/dbraw/zinc/62/59/31/1072625931.db2.gz SFJLZDUUCSWVSS-SWUCNREESA-N 1 1 472.634 1.794 20 30 JDEDMO C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001507576967 1072629429 /nfs/dbraw/zinc/62/94/29/1072629429.db2.gz NYHCHFYZQZDXMZ-IBGZPJMESA-N 1 1 474.631 1.766 20 30 JDEDMO C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001507616304 1072640476 /nfs/dbraw/zinc/64/04/76/1072640476.db2.gz IJMXDIKDDNGTHL-IBGZPJMESA-N 1 1 452.625 1.335 20 30 JDEDMO C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001507616985 1072641096 /nfs/dbraw/zinc/64/10/96/1072641096.db2.gz QAZYFRFJMLFHIC-SFTDATJTSA-N 1 1 472.615 1.345 20 30 JDEDMO C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001507619003 1072642636 /nfs/dbraw/zinc/64/26/36/1072642636.db2.gz WKAPIZBMRZFLBV-UHFFFAOYSA-N 1 1 478.626 1.946 20 30 JDEDMO C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507623410 1072651710 /nfs/dbraw/zinc/65/17/10/1072651710.db2.gz RTLRTMZQRWPWHZ-LJQANCHMSA-N 1 1 485.614 1.284 20 30 JDEDMO C#CCN(c1nnc(C(C)(C)C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507623666 1072652999 /nfs/dbraw/zinc/65/29/99/1072652999.db2.gz VHQBWIQHZXWCBT-RBUKOAKNSA-N 1 1 478.663 1.145 20 30 JDEDMO C#CCN(c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507623666 1072653026 /nfs/dbraw/zinc/65/30/26/1072653026.db2.gz VHQBWIQHZXWCBT-RBUKOAKNSA-N 1 1 478.663 1.145 20 30 JDEDMO C#CCN(c1nnc(C)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC001507625928 1072660015 /nfs/dbraw/zinc/66/00/15/1072660015.db2.gz LRJMYQIIWWPFMS-FCHUYYIVSA-N 1 1 457.600 1.218 20 30 JDEDMO C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507628500 1072670356 /nfs/dbraw/zinc/67/03/56/1072670356.db2.gz OPHDTEYNJMUMCE-IIBYNOLFSA-N 1 1 498.436 1.945 20 30 JDEDMO C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507629818 1072675557 /nfs/dbraw/zinc/67/55/57/1072675557.db2.gz WRMYDTCYTFZCAS-HTAPYJJXSA-N 1 1 494.017 1.300 20 30 JDEDMO C#CCN(c1nnc(Cc2cccnc2)n1CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507633662 1072704887 /nfs/dbraw/zinc/70/48/87/1072704887.db2.gz FZSAFNBMHQBWJL-HXUWFJFHSA-N 1 1 453.572 1.486 20 30 JDEDMO C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CC[N@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507634811 1072709214 /nfs/dbraw/zinc/70/92/14/1072709214.db2.gz NLBPEUDYVFOXQC-FPOVZHCZSA-N 1 1 456.616 1.623 20 30 JDEDMO C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001507637147 1072715932 /nfs/dbraw/zinc/71/59/32/1072715932.db2.gz IFRCFPJRLMKFAZ-YRPNKDGESA-N 1 1 465.620 1.113 20 30 JDEDMO C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507638398 1072721461 /nfs/dbraw/zinc/72/14/61/1072721461.db2.gz FAZBYGDRFFXWIT-QGZVFWFLSA-N 1 1 487.611 1.101 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001507642071 1072735815 /nfs/dbraw/zinc/73/58/15/1072735815.db2.gz GMEADXZDPMNECJ-UXHICEINSA-N 1 1 484.626 1.230 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001507642071 1072735834 /nfs/dbraw/zinc/73/58/34/1072735834.db2.gz GMEADXZDPMNECJ-UXHICEINSA-N 1 1 484.626 1.230 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001507642404 1072736496 /nfs/dbraw/zinc/73/64/96/1072736496.db2.gz UCJCJUDBLURJBQ-SANMLTNESA-N 1 1 463.582 1.884 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001507642402 1072736806 /nfs/dbraw/zinc/73/68/06/1072736806.db2.gz UCJCJUDBLURJBQ-AREMUKBSSA-N 1 1 463.582 1.884 20 30 JDEDMO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507647059 1072739593 /nfs/dbraw/zinc/73/95/93/1072739593.db2.gz LXHLPRJMQHEOFU-UHFFFAOYSA-N 1 1 469.387 1.945 20 30 JDEDMO C#CCN(CC#C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001507653118 1072743420 /nfs/dbraw/zinc/74/34/20/1072743420.db2.gz NHBPZPPBFKFIPS-UHFFFAOYSA-N 1 1 472.597 1.940 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001507660459 1072749739 /nfs/dbraw/zinc/74/97/39/1072749739.db2.gz UPLIDZVEIVDYEY-GMAHTHKFSA-N 1 1 498.653 1.642 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001507665320 1072752532 /nfs/dbraw/zinc/75/25/32/1072752532.db2.gz VJJYOSAQVRCVHS-QFIPXVFZSA-N 1 1 486.628 1.657 20 30 JDEDMO C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001507670401 1072755645 /nfs/dbraw/zinc/75/56/45/1072755645.db2.gz KKDLYPSELIBDDT-XMMPIXPASA-N 1 1 450.612 1.935 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001507688486 1072760193 /nfs/dbraw/zinc/76/01/93/1072760193.db2.gz BMJDVZYEJWBTAB-UXHICEINSA-N 1 1 466.652 1.439 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001507690714 1072762594 /nfs/dbraw/zinc/76/25/94/1072762594.db2.gz VWJFABFNJDTZHW-FQEVSTJZSA-N 1 1 466.652 1.725 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001507690888 1072763041 /nfs/dbraw/zinc/76/30/41/1072763041.db2.gz YKWYFQAHOUAWKG-SIKLNZKXSA-N 1 1 471.627 1.909 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001507690888 1072763047 /nfs/dbraw/zinc/76/30/47/1072763047.db2.gz YKWYFQAHOUAWKG-SIKLNZKXSA-N 1 1 471.627 1.909 20 30 JDEDMO C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001507701920 1072765162 /nfs/dbraw/zinc/76/51/62/1072765162.db2.gz DUJWHJVXDQQOND-NRFANRHFSA-N 1 1 480.613 1.869 20 30 JDEDMO C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001507701920 1072765171 /nfs/dbraw/zinc/76/51/71/1072765171.db2.gz DUJWHJVXDQQOND-NRFANRHFSA-N 1 1 480.613 1.869 20 30 JDEDMO C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001507710918 1072769497 /nfs/dbraw/zinc/76/94/97/1072769497.db2.gz MILZGXRLWYKSJW-WOJBJXKFSA-N 1 1 451.637 1.634 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001507717689 1072777438 /nfs/dbraw/zinc/77/74/38/1072777438.db2.gz FSABABZGORHTPY-QHCPKHFHSA-N 1 1 479.629 1.652 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001507718881 1072780984 /nfs/dbraw/zinc/78/09/84/1072780984.db2.gz ULWGWAJYAGHYKW-QGZVFWFLSA-N 1 1 476.423 1.522 20 30 JDEDMO C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001507720158 1072783052 /nfs/dbraw/zinc/78/30/52/1072783052.db2.gz SGQSFYGDIUFPEV-QPPBQGQZSA-N 1 1 460.623 1.042 20 30 JDEDMO C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001507720625 1072783786 /nfs/dbraw/zinc/78/37/86/1072783786.db2.gz VEEBWJSMWGEQEI-RUZDIDTESA-N 1 1 473.666 1.100 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001507721541 1072786087 /nfs/dbraw/zinc/78/60/87/1072786087.db2.gz VSOSCYNBXQSIQT-UHFFFAOYSA-N 1 1 453.547 1.719 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CC[N@H+](C)CCOC)CC1 ZINC001507723642 1072791866 /nfs/dbraw/zinc/79/18/66/1072791866.db2.gz PIOFBPBREVNSSJ-UHFFFAOYSA-N 1 1 492.628 1.569 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001507727773 1072795688 /nfs/dbraw/zinc/79/56/88/1072795688.db2.gz TYSCZPUTWGSXAH-DEOSSOPVSA-N 1 1 493.656 1.863 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001507727842 1072796197 /nfs/dbraw/zinc/79/61/97/1072796197.db2.gz TYSCZPUTWGSXAH-XMMPIXPASA-N 1 1 493.656 1.863 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001507731993 1072800922 /nfs/dbraw/zinc/80/09/22/1072800922.db2.gz AKJSAXNXRMWXCV-BGYRXZFFSA-N 1 1 499.660 1.368 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001507731993 1072800924 /nfs/dbraw/zinc/80/09/24/1072800924.db2.gz AKJSAXNXRMWXCV-BGYRXZFFSA-N 1 1 499.660 1.368 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001507732626 1072801853 /nfs/dbraw/zinc/80/18/53/1072801853.db2.gz QQWYTVKTQKLLGV-XMMPIXPASA-N 1 1 482.629 1.978 20 30 JDEDMO C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC001507732904 1072802196 /nfs/dbraw/zinc/80/21/96/1072802196.db2.gz VGYUXJXYXSOYFT-HSZRJFAPSA-N 1 1 452.603 1.575 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC001507733499 1072802676 /nfs/dbraw/zinc/80/26/76/1072802676.db2.gz AQWWLIHVJBRGQE-UHFFFAOYSA-N 1 1 491.640 1.831 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001507733572 1072802798 /nfs/dbraw/zinc/80/27/98/1072802798.db2.gz DCTDYVMMOZTXRO-OAQYLSRUSA-N 1 1 483.661 1.992 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001507737034 1072808072 /nfs/dbraw/zinc/80/80/72/1072808072.db2.gz XFXULXBKYOEULM-NBGIEHNGSA-N 1 1 472.634 1.628 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001507737180 1072808442 /nfs/dbraw/zinc/80/84/42/1072808442.db2.gz ZKHCITYZYZAHRZ-FPOVZHCZSA-N 1 1 471.650 1.700 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCN2CC[NH+](CC)CC2)CC1 ZINC001507737611 1072808833 /nfs/dbraw/zinc/80/88/33/1072808833.db2.gz CQXUBTQZZVXOTK-UHFFFAOYSA-N 1 1 479.633 1.119 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001507741464 1072819232 /nfs/dbraw/zinc/81/92/32/1072819232.db2.gz UGAHXEFVVOMENG-LMNJBCLMSA-N 1 1 458.607 1.451 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001507742813 1072820290 /nfs/dbraw/zinc/82/02/90/1072820290.db2.gz QORMQXGBPNGHHW-DEOSSOPVSA-N 1 1 474.675 1.650 20 30 JDEDMO C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001507747191 1072822142 /nfs/dbraw/zinc/82/21/42/1072822142.db2.gz FYAUDRCKRVMZBX-GOSISDBHSA-N 1 1 477.656 1.872 20 30 JDEDMO C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001507747195 1072822194 /nfs/dbraw/zinc/82/21/94/1072822194.db2.gz FYAUDRCKRVMZBX-SFHVURJKSA-N 1 1 477.656 1.872 20 30 JDEDMO C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001507753041 1072825304 /nfs/dbraw/zinc/82/53/04/1072825304.db2.gz HXIYFZOOOPACDW-IBGZPJMESA-N 1 1 487.699 1.852 20 30 JDEDMO C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001507756018 1072826081 /nfs/dbraw/zinc/82/60/81/1072826081.db2.gz KLMOGTKCQROSFT-HXUWFJFHSA-N 1 1 453.616 1.373 20 30 JDEDMO C#CCSCCn1c(N2CC[C@](C)([NH+]3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001507759089 1072826985 /nfs/dbraw/zinc/82/69/85/1072826985.db2.gz ZQBNRCDNAJFEOP-GOTSBHOMSA-N 1 1 463.648 1.986 20 30 JDEDMO C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001507775454 1072830679 /nfs/dbraw/zinc/83/06/79/1072830679.db2.gz NMNSOYJDFPZHRE-GDBMZVCRSA-N 1 1 476.379 1.991 20 30 JDEDMO C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001507775455 1072830772 /nfs/dbraw/zinc/83/07/72/1072830772.db2.gz NMNSOYJDFPZHRE-GOEBONIOSA-N 1 1 476.379 1.991 20 30 JDEDMO C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001507784514 1072833334 /nfs/dbraw/zinc/83/33/34/1072833334.db2.gz KVZJNTPHJXZQBZ-QGZVFWFLSA-N 1 1 467.412 1.825 20 30 JDEDMO C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001507784514 1072833338 /nfs/dbraw/zinc/83/33/38/1072833338.db2.gz KVZJNTPHJXZQBZ-QGZVFWFLSA-N 1 1 467.412 1.825 20 30 JDEDMO C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001507785861 1072833999 /nfs/dbraw/zinc/83/39/99/1072833999.db2.gz RLYVKDRFRDFADA-KRWDZBQOSA-N 1 1 488.452 1.637 20 30 JDEDMO C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001507785863 1072834224 /nfs/dbraw/zinc/83/42/24/1072834224.db2.gz RLYVKDRFRDFADA-QGZVFWFLSA-N 1 1 488.452 1.637 20 30 JDEDMO C=C(Br)Cn1c(N2CC[N@@H+]3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001507792221 1072836006 /nfs/dbraw/zinc/83/60/06/1072836006.db2.gz XQIBXVWRMHVZKC-QFBILLFUSA-N 1 1 456.385 1.748 20 30 JDEDMO C=C(Br)Cn1c(N2CC[N@H+]3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001507792221 1072836010 /nfs/dbraw/zinc/83/60/10/1072836010.db2.gz XQIBXVWRMHVZKC-QFBILLFUSA-N 1 1 456.385 1.748 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001507804098 1072839684 /nfs/dbraw/zinc/83/96/84/1072839684.db2.gz IKNVBISVNPODIK-KNJMJIDISA-N 1 1 482.651 1.026 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507811574 1072842043 /nfs/dbraw/zinc/84/20/43/1072842043.db2.gz SFMIJKAUQRRVQX-NQAVQENRSA-N 1 1 460.623 1.785 20 30 JDEDMO C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001507820460 1072842308 /nfs/dbraw/zinc/84/23/08/1072842308.db2.gz DMFMEDJZEXDHQK-OALUTQOASA-N 1 1 454.641 1.888 20 30 JDEDMO C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001507824767 1072843863 /nfs/dbraw/zinc/84/38/63/1072843863.db2.gz IGUSYXKRFVMUEQ-INIZCTEOSA-N 1 1 450.613 1.137 20 30 JDEDMO C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001507830691 1072844904 /nfs/dbraw/zinc/84/49/04/1072844904.db2.gz QWVJZPFETKCHEP-OAQYLSRUSA-N 1 1 485.614 1.381 20 30 JDEDMO C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507841441 1072847208 /nfs/dbraw/zinc/84/72/08/1072847208.db2.gz ZZJLQOQQUMXTLS-KNQAVFIVSA-N 1 1 453.591 1.922 20 30 JDEDMO C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001507845242 1072848788 /nfs/dbraw/zinc/84/87/88/1072848788.db2.gz YHEVNLSBSVHLCB-FPOVZHCZSA-N 1 1 496.678 1.514 20 30 JDEDMO C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001507877585 1072853002 /nfs/dbraw/zinc/85/30/02/1072853002.db2.gz KTQSZJKCYWPNPY-QFIPXVFZSA-N 1 1 460.604 1.418 20 30 JDEDMO C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001507897882 1072854644 /nfs/dbraw/zinc/85/46/44/1072854644.db2.gz UCVJCNBNTCYUKL-GOSISDBHSA-N 1 1 467.684 1.564 20 30 JDEDMO C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507925985 1072857130 /nfs/dbraw/zinc/85/71/30/1072857130.db2.gz NPDSEDZMMBNIBR-CMKODMSKSA-N 1 1 481.667 1.233 20 30 JDEDMO C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001507945033 1072858835 /nfs/dbraw/zinc/85/88/35/1072858835.db2.gz ZVJGEZWBQHFJLC-QGZVFWFLSA-N 1 1 450.613 1.300 20 30 JDEDMO C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507959524 1072860695 /nfs/dbraw/zinc/86/06/95/1072860695.db2.gz DRZYQHKPQDNBAA-KNQAVFIVSA-N 1 1 470.622 1.650 20 30 JDEDMO C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507959518 1072860774 /nfs/dbraw/zinc/86/07/74/1072860774.db2.gz DRZYQHKPQDNBAA-DENIHFKCSA-N 1 1 470.622 1.650 20 30 JDEDMO C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001507983182 1072863391 /nfs/dbraw/zinc/86/33/91/1072863391.db2.gz PJIUPXXHYGVYKD-FQEVSTJZSA-N 1 1 460.604 1.292 20 30 JDEDMO C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC001507992908 1072864462 /nfs/dbraw/zinc/86/44/62/1072864462.db2.gz KUKBXQSZASZRQR-PKOBYXMFSA-N 1 1 464.636 1.278 20 30 JDEDMO C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC001507992908 1072864464 /nfs/dbraw/zinc/86/44/64/1072864464.db2.gz KUKBXQSZASZRQR-PKOBYXMFSA-N 1 1 464.636 1.278 20 30 JDEDMO C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001508037456 1072868042 /nfs/dbraw/zinc/86/80/42/1072868042.db2.gz LPRNXZOYQFVDPJ-LJQANCHMSA-N 1 1 453.385 1.752 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001508078979 1072878429 /nfs/dbraw/zinc/87/84/29/1072878429.db2.gz LZSRXAFSBSYMPI-QHCPKHFHSA-N 1 1 492.628 1.350 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001508082762 1072880829 /nfs/dbraw/zinc/88/08/29/1072880829.db2.gz XCKVQSBAMVVBAG-UHFFFAOYSA-N 1 1 478.601 1.928 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001508083853 1072880888 /nfs/dbraw/zinc/88/08/88/1072880888.db2.gz DAOAJRWEFURASJ-IEBWSBKVSA-N 1 1 459.620 1.483 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001508084273 1072881315 /nfs/dbraw/zinc/88/13/15/1072881315.db2.gz KXQRTOAQWDIFEL-UHFFFAOYSA-N 1 1 461.570 1.897 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001508084982 1072881870 /nfs/dbraw/zinc/88/18/70/1072881870.db2.gz RPXXESUDOJHTSU-UHFFFAOYSA-N 1 1 466.634 1.561 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001508087144 1072883414 /nfs/dbraw/zinc/88/34/14/1072883414.db2.gz NTTFWQLCZPRIBO-GOSISDBHSA-N 1 1 494.600 1.134 20 30 JDEDMO C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001508088997 1072884615 /nfs/dbraw/zinc/88/46/15/1072884615.db2.gz HVDJRNPPQWVUFL-LJQANCHMSA-N 1 1 456.595 1.147 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001508089550 1072885208 /nfs/dbraw/zinc/88/52/08/1072885208.db2.gz CCHDKMSVFPHWMU-XMMPIXPASA-N 1 1 454.575 1.769 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001508090290 1072885776 /nfs/dbraw/zinc/88/57/76/1072885776.db2.gz GSOFZJNIOAJJCR-IRLDBZIGSA-N 1 1 468.602 1.933 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001508090292 1072885907 /nfs/dbraw/zinc/88/59/07/1072885907.db2.gz GSOFZJNIOAJJCR-UNMCSNQZSA-N 1 1 468.602 1.933 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001508092729 1072888164 /nfs/dbraw/zinc/88/81/64/1072888164.db2.gz QVZWMMYBWNUIDD-FQEVSTJZSA-N 1 1 454.575 1.626 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001508092594 1072888277 /nfs/dbraw/zinc/88/82/77/1072888277.db2.gz DAHNLWLPVDINEF-HXUWFJFHSA-N 1 1 485.564 1.041 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001508094156 1072889881 /nfs/dbraw/zinc/88/98/81/1072889881.db2.gz ZOMZESRMKZAKQB-FQEVSTJZSA-N 1 1 465.558 1.189 20 30 JDEDMO C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001508095166 1072890465 /nfs/dbraw/zinc/89/04/65/1072890465.db2.gz MEYPUKUEIODEFQ-UHFFFAOYSA-N 1 1 451.575 1.415 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001508095321 1072890800 /nfs/dbraw/zinc/89/08/00/1072890800.db2.gz WAORNOSJZVKPLR-GOSISDBHSA-N 1 1 458.538 1.457 20 30 JDEDMO C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001508107639 1072895905 /nfs/dbraw/zinc/89/59/05/1072895905.db2.gz DLVVEODLLKMIMO-RTWAWAEBSA-N 1 1 459.639 1.569 20 30 JDEDMO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001508107821 1072896133 /nfs/dbraw/zinc/89/61/33/1072896133.db2.gz CFAVQLMTZQCISI-GBXCKJPGSA-N 1 1 454.575 1.995 20 30 JDEDMO C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001508107640 1072896147 /nfs/dbraw/zinc/89/61/47/1072896147.db2.gz DLVVEODLLKMIMO-SFTDATJTSA-N 1 1 459.639 1.569 20 30 JDEDMO C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001508139762 1072913885 /nfs/dbraw/zinc/91/38/85/1072913885.db2.gz DNMNLSBOQFEXRH-BHIFYINESA-N 1 1 494.706 1.768 20 30 JDEDMO C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001508141286 1072916124 /nfs/dbraw/zinc/91/61/24/1072916124.db2.gz MFFISFHPGBHQJK-GOSISDBHSA-N 1 1 450.609 1.285 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001508143649 1072920006 /nfs/dbraw/zinc/92/00/06/1072920006.db2.gz MHSNICNJRGDVEB-SJORKVTESA-N 1 1 478.644 1.543 20 30 JDEDMO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001508231708 1072996886 /nfs/dbraw/zinc/99/68/86/1072996886.db2.gz IABOJYLVRWHBRW-AVRDEDQJSA-N 1 1 499.641 1.240 20 30 JDEDMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001508231708 1072996892 /nfs/dbraw/zinc/99/68/92/1072996892.db2.gz IABOJYLVRWHBRW-AVRDEDQJSA-N 1 1 499.641 1.240 20 30 JDEDMO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC001508259018 1073027807 /nfs/dbraw/zinc/02/78/07/1073027807.db2.gz INMDZFOKEQVZRW-UXHICEINSA-N 1 1 481.601 1.754 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001508278129 1073052084 /nfs/dbraw/zinc/05/20/84/1073052084.db2.gz FBOWDIUULODNEI-UHFFFAOYSA-N 1 1 461.574 1.659 20 30 JDEDMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@@H]2C)CC1 ZINC001508278067 1073052490 /nfs/dbraw/zinc/05/24/90/1073052490.db2.gz ZYYSLIYLGQWWBQ-AVRDEDQJSA-N 1 1 465.602 1.967 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001508280632 1073059962 /nfs/dbraw/zinc/05/99/62/1073059962.db2.gz WOPSRPZWRNZBRD-HXUWFJFHSA-N 1 1 492.628 1.674 20 30 JDEDMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001508374735 1073157530 /nfs/dbraw/zinc/15/75/30/1073157530.db2.gz IHQZJHPHKRNGBG-DHIUTWEWSA-N 1 1 481.601 1.395 20 30 JDEDMO CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001508389915 1073199119 /nfs/dbraw/zinc/19/91/19/1073199119.db2.gz NOYFQBWGFHVOSA-JPYJTQIMSA-N 1 1 478.601 1.332 20 30 JDEDMO CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001508389914 1073199460 /nfs/dbraw/zinc/19/94/60/1073199460.db2.gz NOYFQBWGFHVOSA-FDDCHVKYSA-N 1 1 478.601 1.332 20 30 JDEDMO CC(C)(C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CCOCCS(C)(=O)=O ZINC001508514993 1073270662 /nfs/dbraw/zinc/27/06/62/1073270662.db2.gz UNPPXLRWQJYFPJ-UHFFFAOYSA-N 1 1 474.631 1.831 20 30 JDEDMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001508645889 1073307376 /nfs/dbraw/zinc/30/73/76/1073307376.db2.gz VEOJSUIQXPOZNG-AQNXPRMDSA-N 1 1 489.621 1.926 20 30 JDEDMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCNC(=O)C1N=CC=CC1=O ZINC001509003557 1073472414 /nfs/dbraw/zinc/47/24/14/1073472414.db2.gz RHCGLOXTPORBIF-SLNYWTKHSA-N 1 1 457.579 1.617 20 30 JDEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001509406942 1073586308 /nfs/dbraw/zinc/58/63/08/1073586308.db2.gz IGKOXVMMXSPHAU-OTWHNJEPSA-N 1 1 450.609 1.277 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001509432951 1073612218 /nfs/dbraw/zinc/61/22/18/1073612218.db2.gz HKMWFNAEZAWQGL-ZWKOTPCHSA-N 1 1 467.640 1.375 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001509440274 1073621474 /nfs/dbraw/zinc/62/14/74/1073621474.db2.gz MRVULPFAFBCAAD-OAQYLSRUSA-N 1 1 467.574 1.364 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001509443364 1073625134 /nfs/dbraw/zinc/62/51/34/1073625134.db2.gz ZOCMHJCXJRWHHD-PXDATVDWSA-N 1 1 481.601 1.787 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001509443362 1073625443 /nfs/dbraw/zinc/62/54/43/1073625443.db2.gz ZOCMHJCXJRWHHD-OFVILXPXSA-N 1 1 481.601 1.787 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001509443366 1073625485 /nfs/dbraw/zinc/62/54/85/1073625485.db2.gz ZOCMHJCXJRWHHD-SQJMNOBHSA-N 1 1 481.601 1.787 20 30 JDEDMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001509527100 1073668262 /nfs/dbraw/zinc/66/82/62/1073668262.db2.gz ZGDWQBGFJYMJJW-SFHVURJKSA-N 1 1 466.594 1.117 20 30 JDEDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C2)C1 ZINC001164719023 720264148 /nfs/dbraw/zinc/26/41/48/720264148.db2.gz KJBXZGRWZXYELH-DVECYGJZSA-N 1 1 452.534 1.936 20 30 JDEDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C2)C1 ZINC001164719023 720264158 /nfs/dbraw/zinc/26/41/58/720264158.db2.gz KJBXZGRWZXYELH-DVECYGJZSA-N 1 1 452.534 1.936 20 30 JDEDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)C2)C1 ZINC001164719026 720266119 /nfs/dbraw/zinc/26/61/19/720266119.db2.gz KJBXZGRWZXYELH-YADARESESA-N 1 1 452.534 1.936 20 30 JDEDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)C2)C1 ZINC001164719026 720266131 /nfs/dbraw/zinc/26/61/31/720266131.db2.gz KJBXZGRWZXYELH-YADARESESA-N 1 1 452.534 1.936 20 30 JDEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164874396 721285704 /nfs/dbraw/zinc/28/57/04/721285704.db2.gz PZKKUEXORYVADS-SFHVURJKSA-N 1 1 480.569 1.417 20 30 JDEDMO CCC[N@@H+](CC)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001500795152 1069315617 /nfs/dbraw/zinc/31/56/17/1069315617.db2.gz XFWXURKAFWXBRH-UHFFFAOYSA-N 1 1 482.637 1.373 20 30 JDEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001500993473 1069349243 /nfs/dbraw/zinc/34/92/43/1069349243.db2.gz HCVRLBIEQRZGGQ-IPMKNSEASA-N 1 1 467.640 1.471 20 30 JDEDMO CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc2c1=O ZINC001501069604 1069374182 /nfs/dbraw/zinc/37/41/82/1069374182.db2.gz MBTGEGQGHHOCHM-MZNJEOGPSA-N 1 1 464.574 1.727 20 30 JDEDMO CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001501165111 1069425013 /nfs/dbraw/zinc/42/50/13/1069425013.db2.gz YVHOSCRWZUEBBV-NRFANRHFSA-N 1 1 478.601 1.729 20 30 JDEDMO CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001501218775 1069466300 /nfs/dbraw/zinc/46/63/00/1069466300.db2.gz WBIQKRINSXNLLQ-GHTZIAJQSA-N 1 1 467.574 1.412 20 30 JDEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)CC1 ZINC001501769498 1069624139 /nfs/dbraw/zinc/62/41/39/1069624139.db2.gz FVNCYCGBDPPDEW-UHFFFAOYSA-N 1 1 490.616 1.857 20 30 JDEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)CC1 ZINC001501769498 1069624169 /nfs/dbraw/zinc/62/41/69/1069624169.db2.gz FVNCYCGBDPPDEW-UHFFFAOYSA-N 1 1 490.616 1.857 20 30 JDEDMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C ZINC001502184809 1069844983 /nfs/dbraw/zinc/84/49/83/1069844983.db2.gz KIKSGWMYOWUUHC-UHFFFAOYSA-N 1 1 482.637 1.485 20 30 JDEDMO CC[N@@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)C(C)C ZINC001502199011 1069853230 /nfs/dbraw/zinc/85/32/30/1069853230.db2.gz BRHNDFIBRBIVKD-GOSISDBHSA-N 1 1 467.640 1.471 20 30 JDEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C ZINC001502252445 1069935173 /nfs/dbraw/zinc/93/51/73/1069935173.db2.gz YCAKDJBCORENAE-ROUUACIJSA-N 1 1 498.613 1.843 20 30 JDEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502264250 1069971677 /nfs/dbraw/zinc/97/16/77/1069971677.db2.gz WYMOOGVSDNDZTF-IAGOWNOFSA-N 1 1 461.592 1.197 20 30 JDEDMO CC[N@H+]1CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001502271622 1069993909 /nfs/dbraw/zinc/99/39/09/1069993909.db2.gz JAYYIOSVJUUJSK-PZJWPPBQSA-N 1 1 468.606 1.937 20 30 JDEDMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001502271473 1069994121 /nfs/dbraw/zinc/99/41/21/1069994121.db2.gz GDRYQYRNAMEJDY-JTSKRJEESA-N 1 1 475.594 1.979 20 30 JDEDMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001502278639 1070007604 /nfs/dbraw/zinc/00/76/04/1070007604.db2.gz HLNGHXOQCFADFG-IEBWSBKVSA-N 1 1 460.604 1.940 20 30 JDEDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001502283560 1070019153 /nfs/dbraw/zinc/01/91/53/1070019153.db2.gz UKTNOXVQLUFRPD-NRFANRHFSA-N 1 1 450.591 1.511 20 30 JDEDMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001502296963 1070040491 /nfs/dbraw/zinc/04/04/91/1070040491.db2.gz RCXCRENKSNVLPD-KSZLIROESA-N 1 1 453.613 1.081 20 30 JDEDMO N#C[C@@]12CN(C(=O)NC3CC[NH+](Cc4cccc(Br)c4)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001478809679 1070055502 /nfs/dbraw/zinc/05/55/02/1070055502.db2.gz WRMNYQZCOWGJAD-JXFKEZNVSA-N 1 1 481.416 1.993 20 30 JDEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310483 1070074835 /nfs/dbraw/zinc/07/48/35/1070074835.db2.gz AFDYRRSWRKFQAX-RXVVDRJESA-N 1 1 450.591 1.544 20 30 JDEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502311061 1070076955 /nfs/dbraw/zinc/07/69/55/1070076955.db2.gz LSWKGAXQQIDGNF-FXAWDEMLSA-N 1 1 454.535 1.608 20 30 JDEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001502311785 1070080408 /nfs/dbraw/zinc/08/04/08/1070080408.db2.gz ZJLOKLBJWHJKTO-FQEVSTJZSA-N 1 1 480.617 1.138 20 30 JDEDMO CC[N@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001502330667 1070166290 /nfs/dbraw/zinc/16/62/90/1070166290.db2.gz AITCNFQXDSHOGU-GOSISDBHSA-N 1 1 453.547 1.118 20 30 JDEDMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)NC(C)C)C2)CC1 ZINC001502337096 1070201862 /nfs/dbraw/zinc/20/18/62/1070201862.db2.gz AJGMCIFEMAXTRU-QFIPXVFZSA-N 1 1 494.644 1.860 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001502338777 1070216972 /nfs/dbraw/zinc/21/69/72/1070216972.db2.gz ZPPPIMWPTVCMNO-MBSDFSHPSA-N 1 1 469.569 1.641 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502340449 1070220652 /nfs/dbraw/zinc/22/06/52/1070220652.db2.gz GLYGTBFGULVMDV-OAQYLSRUSA-N 1 1 494.644 1.385 20 30 JDEDMO CC[NH+]1CCN(CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502352620 1070275075 /nfs/dbraw/zinc/27/50/75/1070275075.db2.gz JEITZXUPTBJGHC-UHFFFAOYSA-N 1 1 480.617 1.425 20 30 JDEDMO CC[NH+]1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502356492 1070291840 /nfs/dbraw/zinc/29/18/40/1070291840.db2.gz OKAPPZPEEFEVOP-UHFFFAOYSA-N 1 1 464.618 1.936 20 30 JDEDMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001493792686 1070345837 /nfs/dbraw/zinc/34/58/37/1070345837.db2.gz MORNKLSXQXHVFZ-XQBPLPMBSA-N 1 1 497.641 1.565 20 30 JDEDMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001493786616 1070344505 /nfs/dbraw/zinc/34/45/05/1070344505.db2.gz XSMNARFEGJDEGW-SBHAEUEKSA-N 1 1 492.694 1.577 20 30 JDEDMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001493845771 1070359710 /nfs/dbraw/zinc/35/97/10/1070359710.db2.gz ODBNCWSSYBVLKF-LJQANCHMSA-N 1 1 450.591 1.511 20 30 JDEDMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001494108926 1070398254 /nfs/dbraw/zinc/39/82/54/1070398254.db2.gz YUFNNFSQVDRILO-GOSISDBHSA-N 1 1 450.591 1.510 20 30 JDEDMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001494108926 1070398269 /nfs/dbraw/zinc/39/82/69/1070398269.db2.gz YUFNNFSQVDRILO-GOSISDBHSA-N 1 1 450.591 1.510 20 30 JDEDMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001494108926 1070398283 /nfs/dbraw/zinc/39/82/83/1070398283.db2.gz YUFNNFSQVDRILO-GOSISDBHSA-N 1 1 450.591 1.510 20 30 JDEDMO CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001502461346 1070482303 /nfs/dbraw/zinc/48/23/03/1070482303.db2.gz UIZKAWLEUZEORA-FQEVSTJZSA-N 1 1 496.616 1.549 20 30 JDEDMO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H](C(F)(F)F)O1 ZINC001494470760 1070599536 /nfs/dbraw/zinc/59/95/36/1070599536.db2.gz ZSXNCBMXUHQNAS-FYINFDKHSA-N 1 1 480.491 1.951 20 30 JDEDMO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCCO1 ZINC001494524251 1070616995 /nfs/dbraw/zinc/61/69/95/1070616995.db2.gz PRYSBRAFGDCPAC-HXUWFJFHSA-N 1 1 481.601 1.613 20 30 JDEDMO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCCO1 ZINC001494535905 1070628142 /nfs/dbraw/zinc/62/81/42/1070628142.db2.gz LPAPNPJOJXPETO-LJQANCHMSA-N 1 1 488.614 1.464 20 30 JDEDMO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCCO1 ZINC001494537108 1070630446 /nfs/dbraw/zinc/63/04/46/1070630446.db2.gz QULCJDXGUGOHSK-LJQANCHMSA-N 1 1 481.601 1.931 20 30 JDEDMO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001502534265 1070657845 /nfs/dbraw/zinc/65/78/45/1070657845.db2.gz CSACILAHDXUHGN-YADARESESA-N 1 1 483.573 1.510 20 30 JDEDMO COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001504041653 1070800830 /nfs/dbraw/zinc/80/08/30/1070800830.db2.gz JTPFCMKAYQWSAR-NRFANRHFSA-N 1 1 481.601 1.897 20 30 JDEDMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001496187724 1070833395 /nfs/dbraw/zinc/83/33/95/1070833395.db2.gz IFFOTHBCZCPZKZ-XLIONFOSSA-N 1 1 455.563 1.410 20 30 JDEDMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001496188251 1070833831 /nfs/dbraw/zinc/83/38/31/1070833831.db2.gz LWJNRWNWESDAMT-LJQANCHMSA-N 1 1 465.606 1.724 20 30 JDEDMO CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CCOC1 ZINC001502729005 1070839298 /nfs/dbraw/zinc/83/92/98/1070839298.db2.gz KRRULSISQFARSV-REWPJTCUSA-N 1 1 458.538 1.930 20 30 JDEDMO COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001504132467 1070850194 /nfs/dbraw/zinc/85/01/94/1070850194.db2.gz ZGHRVLAYGCVFAB-HXUWFJFHSA-N 1 1 456.547 1.802 20 30 JDEDMO COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001504132467 1070850196 /nfs/dbraw/zinc/85/01/96/1070850196.db2.gz ZGHRVLAYGCVFAB-HXUWFJFHSA-N 1 1 456.547 1.802 20 30 JDEDMO CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001503104392 1071056094 /nfs/dbraw/zinc/05/60/94/1071056094.db2.gz UBXOXCPUOKLEFT-OAQYLSRUSA-N 1 1 495.632 1.351 20 30 JDEDMO CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503202614 1071146902 /nfs/dbraw/zinc/14/69/02/1071146902.db2.gz OXEFPANAPIGTMH-PGRDOPGGSA-N 1 1 451.575 1.842 20 30 JDEDMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 ZINC001503219589 1071173578 /nfs/dbraw/zinc/17/35/78/1071173578.db2.gz DGJMSCCMWWVGIM-UHFFFAOYSA-N 1 1 453.547 1.818 20 30 JDEDMO COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504586787 1071420395 /nfs/dbraw/zinc/42/03/95/1071420395.db2.gz BMKZGEAEFGEWJF-PMACEKPBSA-N 1 1 453.547 1.084 20 30 JDEDMO CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001503287446 1071481483 /nfs/dbraw/zinc/48/14/83/1071481483.db2.gz VXKXTTDLSMTASY-UHFFFAOYSA-N 1 1 457.604 1.364 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 ZINC001503357007 1071556577 /nfs/dbraw/zinc/55/65/77/1071556577.db2.gz DEHLAHKUJGMRNY-FQEVSTJZSA-N 1 1 470.622 1.473 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001503360201 1071573075 /nfs/dbraw/zinc/57/30/75/1071573075.db2.gz PFGAVEOJBBRAGT-CYFREDJKSA-N 1 1 470.622 1.587 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001503360723 1071574274 /nfs/dbraw/zinc/57/42/74/1071574274.db2.gz QZQCKRRPDYEPRV-IEGUWTFLSA-N 1 1 456.595 1.302 20 30 JDEDMO COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC001504737459 1071613934 /nfs/dbraw/zinc/61/39/34/1071613934.db2.gz ZYNHZRKLNSRSMJ-MONBJTKQSA-N 1 1 456.547 1.035 20 30 JDEDMO COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC001504737457 1071613983 /nfs/dbraw/zinc/61/39/83/1071613983.db2.gz ZYNHZRKLNSRSMJ-DHJUGAMNSA-N 1 1 456.547 1.035 20 30 JDEDMO CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001503377603 1071630547 /nfs/dbraw/zinc/63/05/47/1071630547.db2.gz XVZAPXMBHHLBDX-UHFFFAOYSA-N 1 1 480.617 1.138 20 30 JDEDMO C[NH+](C)CCN1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001503399791 1071660524 /nfs/dbraw/zinc/66/05/24/1071660524.db2.gz VHIBYEABRQXCSK-IBGZPJMESA-N 1 1 458.998 1.996 20 30 JDEDMO CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001503405001 1071672675 /nfs/dbraw/zinc/67/26/75/1071672675.db2.gz FIHDCCHPOTVOAL-QFIPXVFZSA-N 1 1 473.603 1.009 20 30 JDEDMO COCCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001504812622 1071684133 /nfs/dbraw/zinc/68/41/33/1071684133.db2.gz FLSXGFDWWFHIFK-HXUWFJFHSA-N 1 1 452.563 1.341 20 30 JDEDMO COCCC[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@](F)(C#N)C1 ZINC001504815227 1071687566 /nfs/dbraw/zinc/68/75/66/1071687566.db2.gz REARPNZRTVCYJO-QHCPKHFHSA-N 1 1 468.537 1.602 20 30 JDEDMO COCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504822117 1071709013 /nfs/dbraw/zinc/70/90/13/1071709013.db2.gz KAIMZULOGGMJPO-AVRDEDQJSA-N 1 1 451.575 1.842 20 30 JDEDMO COCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504822120 1071709182 /nfs/dbraw/zinc/70/91/82/1071709182.db2.gz KAIMZULOGGMJPO-XMSQKQJNSA-N 1 1 451.575 1.842 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001504853717 1071759258 /nfs/dbraw/zinc/75/92/58/1071759258.db2.gz ACOXFNJVLURBRQ-OAQYLSRUSA-N 1 1 451.575 1.986 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001504853754 1071760431 /nfs/dbraw/zinc/76/04/31/1071760431.db2.gz AMGRMYJENOHDGO-UGKGYDQZSA-N 1 1 453.591 1.552 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001504856104 1071768707 /nfs/dbraw/zinc/76/87/07/1071768707.db2.gz RJYOXDFVJHVDBS-UHFFFAOYSA-N 1 1 461.574 1.902 20 30 JDEDMO COCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001504857630 1071777428 /nfs/dbraw/zinc/77/74/28/1071777428.db2.gz NRIZWVGCVYFJLR-SFHVURJKSA-N 1 1 459.545 1.902 20 30 JDEDMO COCC[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001504858389 1071783623 /nfs/dbraw/zinc/78/36/23/1071783623.db2.gz BDXDVDWQKJEHFQ-UHFFFAOYSA-N 1 1 469.546 1.386 20 30 JDEDMO CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001503478180 1071798119 /nfs/dbraw/zinc/79/81/19/1071798119.db2.gz XSUHUKQCSAKPMB-OAQYLSRUSA-N 1 1 451.575 1.869 20 30 JDEDMO COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504873152 1071805911 /nfs/dbraw/zinc/80/59/11/1071805911.db2.gz BUSDFPJODZYMMI-LJQANCHMSA-N 1 1 462.558 1.980 20 30 JDEDMO COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504873152 1071805912 /nfs/dbraw/zinc/80/59/12/1071805912.db2.gz BUSDFPJODZYMMI-LJQANCHMSA-N 1 1 462.558 1.980 20 30 JDEDMO COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001504883991 1071809263 /nfs/dbraw/zinc/80/92/63/1071809263.db2.gz HCBQLOOHPWILLJ-RTBURBONSA-N 1 1 461.611 1.768 20 30 JDEDMO COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001504883437 1071809374 /nfs/dbraw/zinc/80/93/74/1071809374.db2.gz AMGCHAPIMUZJLI-UHFFFAOYSA-N 1 1 473.622 1.916 20 30 JDEDMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001504913952 1071873780 /nfs/dbraw/zinc/87/37/80/1071873780.db2.gz OVSQIBPYXUOAJB-SFHVURJKSA-N 1 1 467.574 1.256 20 30 JDEDMO C[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CCCC1 ZINC001503608072 1071892259 /nfs/dbraw/zinc/89/22/59/1071892259.db2.gz QQOHEGCKMXKVGW-UHFFFAOYSA-N 1 1 457.604 1.773 20 30 JDEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 ZINC001503618286 1071904861 /nfs/dbraw/zinc/90/48/61/1071904861.db2.gz DXZQTMWRVOQIGF-UHFFFAOYSA-N 1 1 481.601 1.613 20 30 JDEDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 ZINC001503618286 1071904866 /nfs/dbraw/zinc/90/48/66/1071904866.db2.gz DXZQTMWRVOQIGF-UHFFFAOYSA-N 1 1 481.601 1.613 20 30 JDEDMO CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001503638692 1071957019 /nfs/dbraw/zinc/95/70/19/1071957019.db2.gz MYELQTFSAWWHNX-GOSISDBHSA-N 1 1 469.571 1.669 20 30 JDEDMO CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001503639182 1071956886 /nfs/dbraw/zinc/95/68/86/1071956886.db2.gz MYELQTFSAWWHNX-SFHVURJKSA-N 1 1 469.571 1.669 20 30 JDEDMO Cn1cc(-c2nnc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2CC(=O)NCC(F)F)cn1 ZINC001503650895 1071975967 /nfs/dbraw/zinc/97/59/67/1071975967.db2.gz SQQPMCLOMDZQRY-UHFFFAOYSA-N 1 1 469.500 1.254 20 30 JDEDMO COCCO[C@@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001504967544 1072015280 /nfs/dbraw/zinc/01/52/80/1072015280.db2.gz FKVVELQDTOTZHG-MGPUTAFESA-N 1 1 455.563 1.877 20 30 JDEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 ZINC001503683980 1072016873 /nfs/dbraw/zinc/01/68/73/1072016873.db2.gz XWRONLQMSFOTDM-OAQYLSRUSA-N 1 1 451.575 1.722 20 30 JDEDMO COCCO[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001504983094 1072032672 /nfs/dbraw/zinc/03/26/72/1072032672.db2.gz JFWIUAKEACZPMP-NBGIEHNGSA-N 1 1 483.617 1.657 20 30 JDEDMO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1COCCO1 ZINC001504995559 1072065096 /nfs/dbraw/zinc/06/50/96/1072065096.db2.gz OPUGTIYEHYCSBJ-SIKLNZKXSA-N 1 1 470.574 1.611 20 30 JDEDMO CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001505144190 1072364282 /nfs/dbraw/zinc/36/42/82/1072364282.db2.gz VFSVJZXJDRFVGT-NRFANRHFSA-N 1 1 499.641 1.756 20 30 JDEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC001464843146 1067672583 /nfs/dbraw/zinc/67/25/83/1067672583.db2.gz FSANJQHMVHDMDI-UHFFFAOYSA-N 1 1 454.531 1.691 20 30 JDEDMO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001466133196 1067863755 /nfs/dbraw/zinc/86/37/55/1067863755.db2.gz SBSKSGFMAHJMBE-WEYGHZABSA-N 1 1 456.568 1.224 20 30 JDEDMO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC001466927674 1067948038 /nfs/dbraw/zinc/94/80/38/1067948038.db2.gz NUPFWJOEWKUFQF-AEFFLSMTSA-N 1 1 450.605 1.443 20 30 JDEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC001468546377 1068310466 /nfs/dbraw/zinc/31/04/66/1068310466.db2.gz TXVYATKQUFLHLG-UHFFFAOYSA-N 1 1 458.378 1.155 20 30 JDEDMO N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH2+][C@@H](c4ccc(O)cc4)C3)CC2)cc1 ZINC001470724547 1068805244 /nfs/dbraw/zinc/80/52/44/1068805244.db2.gz HBKZSJDGHHVVIH-JOCHJYFZSA-N 1 1 454.552 1.838 20 30 JDEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 ZINC001471833228 1068915183 /nfs/dbraw/zinc/91/51/83/1068915183.db2.gz SKYFCXCCNXOMKU-LJQANCHMSA-N 1 1 451.384 1.920 20 30 JDEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 ZINC001471833228 1068915201 /nfs/dbraw/zinc/91/52/01/1068915201.db2.gz SKYFCXCCNXOMKU-LJQANCHMSA-N 1 1 451.384 1.920 20 30 JDEDMO C[C@@H](CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001472488481 1069015407 /nfs/dbraw/zinc/01/54/07/1069015407.db2.gz HLKFTZRSJYMUCD-KRWDZBQOSA-N 1 1 455.584 1.890 20 30 JDEDMO N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001472593597 1069036272 /nfs/dbraw/zinc/03/62/72/1069036272.db2.gz FDIMXDVBGOHYQE-VXKWHMMOSA-N 1 1 454.552 1.338 20 30 JDEDMO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001499697060 1069044421 /nfs/dbraw/zinc/04/44/21/1069044421.db2.gz MMCWAUONHOKRSS-TZIWHRDSSA-N 1 1 451.575 1.888 20 30 JDEDMO CC[C@H](C)[C@@H](NC(=O)Cn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2)C(=O)OC ZINC001473061839 1069066960 /nfs/dbraw/zinc/06/69/60/1069066960.db2.gz BQQXKNMNKQDDPR-GAJHUEQPSA-N 1 1 450.539 1.982 20 30 JDEDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cn1 ZINC001473702643 1069212021 /nfs/dbraw/zinc/21/20/21/1069212021.db2.gz LUAGFJMWZAYJCF-RBUKOAKNSA-N 1 1 455.588 1.085 20 30 JDEDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cn1 ZINC001473702643 1069212047 /nfs/dbraw/zinc/21/20/47/1069212047.db2.gz LUAGFJMWZAYJCF-RBUKOAKNSA-N 1 1 455.588 1.085 20 30 JDEDMO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001500248788 1069221885 /nfs/dbraw/zinc/22/18/85/1069221885.db2.gz CRFBFJFICGJQFZ-ZJSXRUAMSA-N 1 1 454.575 1.905 20 30 JDEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)CC2)o1 ZINC001473871100 1069234370 /nfs/dbraw/zinc/23/43/70/1069234370.db2.gz QDRHIJCFGYTXKJ-HSZRJFAPSA-N 1 1 458.563 1.979 20 30 JDEDMO N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001505313720 1072480051 /nfs/dbraw/zinc/48/00/51/1072480051.db2.gz DYWIHGYCTSFYLI-SFTDATJTSA-N 1 1 451.575 1.755 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001507535043 1072598100 /nfs/dbraw/zinc/59/81/00/1072598100.db2.gz XADYZHLLWGZTMT-OALUTQOASA-N 1 1 463.586 1.887 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001507535044 1072598136 /nfs/dbraw/zinc/59/81/36/1072598136.db2.gz XADYZHLLWGZTMT-RBUKOAKNSA-N 1 1 463.586 1.887 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001507536482 1072598742 /nfs/dbraw/zinc/59/87/42/1072598742.db2.gz DYSSCZVEUKHSMK-PZJWPPBQSA-N 1 1 462.602 1.917 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001507550351 1072612172 /nfs/dbraw/zinc/61/21/72/1072612172.db2.gz YEFDCCMZHFCULO-GOSISDBHSA-N 1 1 462.558 1.456 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001507550351 1072612181 /nfs/dbraw/zinc/61/21/81/1072612181.db2.gz YEFDCCMZHFCULO-GOSISDBHSA-N 1 1 462.558 1.456 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001507551013 1072612734 /nfs/dbraw/zinc/61/27/34/1072612734.db2.gz UDRFAUZOKHZBAF-FCHUYYIVSA-N 1 1 493.612 1.642 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001507553192 1072615910 /nfs/dbraw/zinc/61/59/10/1072615910.db2.gz YTNTVMCILZQCBF-UHFFFAOYSA-N 1 1 454.575 1.982 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001507553192 1072615927 /nfs/dbraw/zinc/61/59/27/1072615927.db2.gz YTNTVMCILZQCBF-UHFFFAOYSA-N 1 1 454.575 1.982 20 30 JDEDMO C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507558928 1072619564 /nfs/dbraw/zinc/61/95/64/1072619564.db2.gz ZHVLIEYPZUVUAU-SVFBPWRDSA-N 1 1 493.678 1.071 20 30 JDEDMO C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001507564324 1072623220 /nfs/dbraw/zinc/62/32/20/1072623220.db2.gz PHZZRYXLVLRVFF-FCHUYYIVSA-N 1 1 492.690 1.215 20 30 JDEDMO C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001507577146 1072629527 /nfs/dbraw/zinc/62/95/27/1072629527.db2.gz PKOHKZANJGAARA-IBGZPJMESA-N 1 1 458.588 1.130 20 30 JDEDMO C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001507577146 1072629545 /nfs/dbraw/zinc/62/95/45/1072629545.db2.gz PKOHKZANJGAARA-IBGZPJMESA-N 1 1 458.588 1.130 20 30 JDEDMO C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001507577150 1072629600 /nfs/dbraw/zinc/62/96/00/1072629600.db2.gz PKOHKZANJGAARA-LJQANCHMSA-N 1 1 458.588 1.130 20 30 JDEDMO C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001507577150 1072629611 /nfs/dbraw/zinc/62/96/11/1072629611.db2.gz PKOHKZANJGAARA-LJQANCHMSA-N 1 1 458.588 1.130 20 30 JDEDMO C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001507587776 1072632121 /nfs/dbraw/zinc/63/21/21/1072632121.db2.gz AIVTYXBLRXWXFB-IFMALSPDSA-N 1 1 486.642 1.735 20 30 JDEDMO C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC001507591607 1072635466 /nfs/dbraw/zinc/63/54/66/1072635466.db2.gz MAPXETYKWNWOCP-PZJWPPBQSA-N 1 1 452.559 1.205 20 30 JDEDMO C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC[N@@H+]1CCCC ZINC001507616715 1072640449 /nfs/dbraw/zinc/64/04/49/1072640449.db2.gz MQZQCAPLHGJZAK-RTBURBONSA-N 1 1 452.625 1.335 20 30 JDEDMO C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001507616959 1072641059 /nfs/dbraw/zinc/64/10/59/1072641059.db2.gz QAZYFRFJMLFHIC-LEWJYISDSA-N 1 1 472.615 1.345 20 30 JDEDMO C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507622624 1072648199 /nfs/dbraw/zinc/64/81/99/1072648199.db2.gz JXWSDZKQZLRCSB-UXHICEINSA-N 1 1 490.674 1.651 20 30 JDEDMO C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001507622794 1072649311 /nfs/dbraw/zinc/64/93/11/1072649311.db2.gz LZSRHOHSPVNFDI-SFHVURJKSA-N 1 1 482.570 1.147 20 30 JDEDMO C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507624825 1072655330 /nfs/dbraw/zinc/65/53/30/1072655330.db2.gz DZDPFTIIEWBXTN-NQIIRXRSSA-N 1 1 463.991 1.292 20 30 JDEDMO C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507624824 1072655513 /nfs/dbraw/zinc/65/55/13/1072655513.db2.gz DZDPFTIIEWBXTN-GHTZIAJQSA-N 1 1 463.991 1.292 20 30 JDEDMO C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507626034 1072659783 /nfs/dbraw/zinc/65/97/83/1072659783.db2.gz MNENXJAOCNIAIX-IMSXRSKXSA-N 1 1 471.627 1.513 20 30 JDEDMO C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507626034 1072659805 /nfs/dbraw/zinc/65/98/05/1072659805.db2.gz MNENXJAOCNIAIX-IMSXRSKXSA-N 1 1 471.627 1.513 20 30 JDEDMO C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507628497 1072670533 /nfs/dbraw/zinc/67/05/33/1072670533.db2.gz OPHDTEYNJMUMCE-IERDGZPVSA-N 1 1 498.436 1.945 20 30 JDEDMO C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001507632884 1072699056 /nfs/dbraw/zinc/69/90/56/1072699056.db2.gz QGLKBNOXBRPAJY-PMACEKPBSA-N 1 1 460.604 1.784 20 30 JDEDMO C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507632892 1072699111 /nfs/dbraw/zinc/69/91/11/1072699111.db2.gz QGLKBNOXBRPAJY-WOJBJXKFSA-N 1 1 460.604 1.784 20 30 JDEDMO C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001507632888 1072699223 /nfs/dbraw/zinc/69/92/23/1072699223.db2.gz QGLKBNOXBRPAJY-UXHICEINSA-N 1 1 460.604 1.784 20 30 JDEDMO C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[N@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001507633765 1072705600 /nfs/dbraw/zinc/70/56/00/1072705600.db2.gz GXWHOCSQMMLYHD-WOJBJXKFSA-N 1 1 492.671 1.107 20 30 JDEDMO C#CCN(c1nnc(Cc2csc(C)n2)n1CC[N@@H+]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507635012 1072709965 /nfs/dbraw/zinc/70/99/65/1072709965.db2.gz OWPIZTCSHQHNEZ-VQIMIIECSA-N 1 1 462.645 1.745 20 30 JDEDMO C#CCN(c1nnc(CN2CCCC2=O)n1CC[N@H+](C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507639980 1072729080 /nfs/dbraw/zinc/72/90/80/1072729080.db2.gz NROGIIFYTKGINY-HXUWFJFHSA-N 1 1 476.647 1.292 20 30 JDEDMO C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[N@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507640056 1072730213 /nfs/dbraw/zinc/73/02/13/1072730213.db2.gz OIQPREOXMNVZRQ-UXHICEINSA-N 1 1 459.620 1.108 20 30 JDEDMO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001507649167 1072741181 /nfs/dbraw/zinc/74/11/81/1072741181.db2.gz ZPVQMTOVALRCCL-LJQANCHMSA-N 1 1 459.554 1.233 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001507665319 1072752751 /nfs/dbraw/zinc/75/27/51/1072752751.db2.gz VJJYOSAQVRCVHS-JOCHJYFZSA-N 1 1 486.628 1.657 20 30 JDEDMO C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001507671040 1072756433 /nfs/dbraw/zinc/75/64/33/1072756433.db2.gz BXHAFNWKLPVSRB-UHFFFAOYSA-N 1 1 462.598 1.997 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C1CCCCC1 ZINC001507688527 1072760277 /nfs/dbraw/zinc/76/02/77/1072760277.db2.gz CEDLIOQCQQWSJL-IBGZPJMESA-N 1 1 452.625 1.335 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001507690393 1072761733 /nfs/dbraw/zinc/76/17/33/1072761733.db2.gz SGWBYLYPVWIULM-NHCUHLMSSA-N 1 1 457.600 1.255 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001507690393 1072761749 /nfs/dbraw/zinc/76/17/49/1072761749.db2.gz SGWBYLYPVWIULM-NHCUHLMSSA-N 1 1 457.600 1.255 20 30 JDEDMO C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001507701788 1072764932 /nfs/dbraw/zinc/76/49/32/1072764932.db2.gz BAXJOZXZMMNCQR-UHFFFAOYSA-N 1 1 471.525 1.949 20 30 JDEDMO C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001507710607 1072769377 /nfs/dbraw/zinc/76/93/77/1072769377.db2.gz RNDJTSMNZWFART-UHFFFAOYSA-N 1 1 492.628 1.304 20 30 JDEDMO C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001507710912 1072769529 /nfs/dbraw/zinc/76/95/29/1072769529.db2.gz MILZGXRLWYKSJW-PMACEKPBSA-N 1 1 451.637 1.634 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+](C)CCOC)CC1 ZINC001507717377 1072776928 /nfs/dbraw/zinc/77/69/28/1072776928.db2.gz ACDXSEKPICBYEZ-UHFFFAOYSA-N 1 1 478.439 1.770 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001507719175 1072782372 /nfs/dbraw/zinc/78/23/72/1072782372.db2.gz YXOGJECZMWRQCW-UHFFFAOYSA-N 1 1 451.619 1.735 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001507719175 1072782384 /nfs/dbraw/zinc/78/23/84/1072782384.db2.gz YXOGJECZMWRQCW-UHFFFAOYSA-N 1 1 451.619 1.735 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001507719175 1072782395 /nfs/dbraw/zinc/78/23/95/1072782395.db2.gz YXOGJECZMWRQCW-UHFFFAOYSA-N 1 1 451.619 1.735 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[N@H+](CC)CCC)CC1 ZINC001507723423 1072791158 /nfs/dbraw/zinc/79/11/58/1072791158.db2.gz ICVZCPQAMVISTM-UHFFFAOYSA-N 1 1 462.602 1.679 20 30 JDEDMO C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001507727693 1072795798 /nfs/dbraw/zinc/79/57/98/1072795798.db2.gz SGRSOYMQUPTLIY-FQEVSTJZSA-N 1 1 485.658 1.526 20 30 JDEDMO C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001507730912 1072800159 /nfs/dbraw/zinc/80/01/59/1072800159.db2.gz YQAUDFJPRVDJET-SFTDATJTSA-N 1 1 487.649 1.826 20 30 JDEDMO C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001507731387 1072800420 /nfs/dbraw/zinc/80/04/20/1072800420.db2.gz HEPVAWSRFRJWJR-CJFMBICVSA-N 1 1 487.649 1.214 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001507732620 1072801763 /nfs/dbraw/zinc/80/17/63/1072801763.db2.gz QLUZOLCGCPYPBD-UHFFFAOYSA-N 1 1 463.586 1.595 20 30 JDEDMO C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001507732620 1072801764 /nfs/dbraw/zinc/80/17/64/1072801764.db2.gz QLUZOLCGCPYPBD-UHFFFAOYSA-N 1 1 463.586 1.595 20 30 JDEDMO C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCOCC2)CC1 ZINC001507732781 1072802168 /nfs/dbraw/zinc/80/21/68/1072802168.db2.gz KVWLUSXBAMAVBM-OYRHEFFESA-N 1 1 487.649 1.526 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+](CC)C(C)C)CC1 ZINC001507733542 1072802684 /nfs/dbraw/zinc/80/26/84/1072802684.db2.gz CAXBNRGNELVTCR-UHFFFAOYSA-N 1 1 466.590 1.622 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC001507733666 1072802864 /nfs/dbraw/zinc/80/28/64/1072802864.db2.gz HOOOFHFKIZDJNZ-IBGZPJMESA-N 1 1 480.617 1.936 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001507735951 1072806457 /nfs/dbraw/zinc/80/64/57/1072806457.db2.gz BKEAFLPWTDRRMM-FQEVSTJZSA-N 1 1 467.618 1.750 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCCN2CC[NH+](CC)CC2)CC1 ZINC001507736695 1072807332 /nfs/dbraw/zinc/80/73/32/1072807332.db2.gz QERKQHWXJVIWGN-UHFFFAOYSA-N 1 1 480.661 1.667 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001507737036 1072808120 /nfs/dbraw/zinc/80/81/20/1072808120.db2.gz XFXULXBKYOEULM-NLFFAJNJSA-N 1 1 472.634 1.628 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001507737032 1072808138 /nfs/dbraw/zinc/80/81/38/1072808138.db2.gz XFXULXBKYOEULM-CPJSRVTESA-N 1 1 472.634 1.628 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001507737477 1072808493 /nfs/dbraw/zinc/80/84/93/1072808493.db2.gz ACLDNBRBDOVQNU-FQEVSTJZSA-N 1 1 452.607 1.765 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001507737182 1072808523 /nfs/dbraw/zinc/80/85/23/1072808523.db2.gz ZKHCITYZYZAHRZ-TZIWHRDSSA-N 1 1 471.650 1.700 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001507738011 1072809958 /nfs/dbraw/zinc/80/99/58/1072809958.db2.gz FRUDHZRHZONHTK-IFMALSPDSA-N 1 1 472.634 1.986 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001507738917 1072811970 /nfs/dbraw/zinc/81/19/70/1072811970.db2.gz HXFJLQCTXFIGGN-IBGZPJMESA-N 1 1 476.647 1.020 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001507739689 1072814308 /nfs/dbraw/zinc/81/43/08/1072814308.db2.gz UIKBCLYIPAXMBS-FQEVSTJZSA-N 1 1 457.667 1.859 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001507740322 1072815781 /nfs/dbraw/zinc/81/57/81/1072815781.db2.gz LMPPFBPWWLTCOP-OAQYLSRUSA-N 1 1 469.634 1.631 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001507740870 1072817174 /nfs/dbraw/zinc/81/71/74/1072817174.db2.gz GRUAYPPJOATPEL-UMEGOILYSA-N 1 1 472.634 1.229 20 30 JDEDMO C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507741422 1072818784 /nfs/dbraw/zinc/81/87/84/1072818784.db2.gz SFOSEUUPQIKEPZ-PZJWPPBQSA-N 1 1 487.674 1.259 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001507741543 1072819079 /nfs/dbraw/zinc/81/90/79/1072819079.db2.gz WQDVLDAGZGXVLT-UNMCSNQZSA-N 1 1 472.634 1.842 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001507741642 1072819163 /nfs/dbraw/zinc/81/91/63/1072819163.db2.gz YFWPAZAAIAHVFZ-KDURUIRLSA-N 1 1 460.623 1.668 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001507742249 1072819658 /nfs/dbraw/zinc/81/96/58/1072819658.db2.gz DNBXDQZMEAMFLC-DEOSSOPVSA-N 1 1 454.550 1.040 20 30 JDEDMO C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001507744303 1072820787 /nfs/dbraw/zinc/82/07/87/1072820787.db2.gz QTRPCEQUAAVWNQ-SFHVURJKSA-N 1 1 455.588 1.593 20 30 JDEDMO C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001507744342 1072820817 /nfs/dbraw/zinc/82/08/17/1072820817.db2.gz KVWKZVCHEFYONC-HNNXBMFYSA-N 1 1 451.394 1.923 20 30 JDEDMO C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001507744342 1072820821 /nfs/dbraw/zinc/82/08/21/1072820821.db2.gz KVWKZVCHEFYONC-HNNXBMFYSA-N 1 1 451.394 1.923 20 30 JDEDMO C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507751070 1072823457 /nfs/dbraw/zinc/82/34/57/1072823457.db2.gz JRRMVEVOFWJLMX-HMXCVIKNSA-N 1 1 460.648 1.527 20 30 JDEDMO C#CCSCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CCOC)CC1 ZINC001507752267 1072825320 /nfs/dbraw/zinc/82/53/20/1072825320.db2.gz VFZDEZZSCCYJMG-UHFFFAOYSA-N 1 1 453.572 1.729 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001507763317 1072827676 /nfs/dbraw/zinc/82/76/76/1072827676.db2.gz ADMUNLUGMMMBTE-TWFHAPMSSA-N 1 1 452.625 1.380 20 30 JDEDMO C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCC[C@H]1C ZINC001507771458 1072828885 /nfs/dbraw/zinc/82/88/85/1072828885.db2.gz AGOOSLYTMYPOEC-DBXWQHBBSA-N 1 1 450.609 1.087 20 30 JDEDMO C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](CCOCC)CC1 ZINC001507780114 1072831375 /nfs/dbraw/zinc/83/13/75/1072831375.db2.gz LXIFZEVPWYCXIA-UHFFFAOYSA-N 1 1 488.394 1.988 20 30 JDEDMO C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001507778839 1072831430 /nfs/dbraw/zinc/83/14/30/1072831430.db2.gz VNDLUVHHORJUKX-MRXNPFEDSA-N 1 1 482.404 1.778 20 30 JDEDMO C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001507778839 1072831431 /nfs/dbraw/zinc/83/14/31/1072831431.db2.gz VNDLUVHHORJUKX-MRXNPFEDSA-N 1 1 482.404 1.778 20 30 JDEDMO C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001507782876 1072832779 /nfs/dbraw/zinc/83/27/79/1072832779.db2.gz BCJYGBUEIQNJHI-KRWDZBQOSA-N 1 1 460.380 1.992 20 30 JDEDMO C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001507783856 1072833027 /nfs/dbraw/zinc/83/30/27/1072833027.db2.gz XMJPBHGPBLTVHT-MRXNPFEDSA-N 1 1 461.368 1.387 20 30 JDEDMO C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001507789675 1072834656 /nfs/dbraw/zinc/83/46/56/1072834656.db2.gz HVJSWZYGWQVSQR-MRXNPFEDSA-N 1 1 467.412 1.999 20 30 JDEDMO C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001507790774 1072834920 /nfs/dbraw/zinc/83/49/20/1072834920.db2.gz DAJGLGVHFXSJCQ-QHAWAJNXSA-N 1 1 460.623 1.946 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001507790772 1072835018 /nfs/dbraw/zinc/83/50/18/1072835018.db2.gz DAJGLGVHFXSJCQ-NJYVYQBISA-N 1 1 460.623 1.946 20 30 JDEDMO C=C(Br)Cn1c(N2CC[N@@H+]3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001507792222 1072835939 /nfs/dbraw/zinc/83/59/39/1072835939.db2.gz XQIBXVWRMHVZKC-VQIMIIECSA-N 1 1 456.385 1.748 20 30 JDEDMO C=C(Br)Cn1c(N2CC[N@H+]3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001507792222 1072835944 /nfs/dbraw/zinc/83/59/44/1072835944.db2.gz XQIBXVWRMHVZKC-VQIMIIECSA-N 1 1 456.385 1.748 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001507808916 1072841576 /nfs/dbraw/zinc/84/15/76/1072841576.db2.gz VRGVUCUOCXQAGI-FHWLQOOXSA-N 1 1 484.667 1.417 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001507808916 1072841581 /nfs/dbraw/zinc/84/15/81/1072841581.db2.gz VRGVUCUOCXQAGI-FHWLQOOXSA-N 1 1 484.667 1.417 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001507808920 1072841634 /nfs/dbraw/zinc/84/16/34/1072841634.db2.gz VRGVUCUOCXQAGI-OTWHNJEPSA-N 1 1 484.667 1.417 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001507808920 1072841638 /nfs/dbraw/zinc/84/16/38/1072841638.db2.gz VRGVUCUOCXQAGI-OTWHNJEPSA-N 1 1 484.667 1.417 20 30 JDEDMO C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001507830602 1072844913 /nfs/dbraw/zinc/84/49/13/1072844913.db2.gz KZYRXGWOVZOIQQ-LJQANCHMSA-N 1 1 452.625 1.642 20 30 JDEDMO C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507841438 1072847146 /nfs/dbraw/zinc/84/71/46/1072847146.db2.gz ZZJLQOQQUMXTLS-DENIHFKCSA-N 1 1 453.591 1.922 20 30 JDEDMO C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001507845246 1072848829 /nfs/dbraw/zinc/84/88/29/1072848829.db2.gz YHEVNLSBSVHLCB-TZIWHRDSSA-N 1 1 496.678 1.514 20 30 JDEDMO C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001507845239 1072848842 /nfs/dbraw/zinc/84/88/42/1072848842.db2.gz YHEVNLSBSVHLCB-CTNGQTDRSA-N 1 1 496.678 1.514 20 30 JDEDMO C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507853503 1072850576 /nfs/dbraw/zinc/85/05/76/1072850576.db2.gz GJSATCXRVNGVEX-HNAYVOBHSA-N 1 1 466.030 1.938 20 30 JDEDMO C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507853500 1072850618 /nfs/dbraw/zinc/85/06/18/1072850618.db2.gz GJSATCXRVNGVEX-DNVCBOLYSA-N 1 1 466.030 1.938 20 30 JDEDMO C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001507881379 1072853330 /nfs/dbraw/zinc/85/33/30/1072853330.db2.gz NHIWLKUSMAMWDY-FXAWDEMLSA-N 1 1 470.665 1.253 20 30 JDEDMO C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001507915749 1072855735 /nfs/dbraw/zinc/85/57/35/1072855735.db2.gz YOVKEQJMZXSKGH-OALUTQOASA-N 1 1 467.684 1.707 20 30 JDEDMO C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001507915750 1072855745 /nfs/dbraw/zinc/85/57/45/1072855745.db2.gz YOVKEQJMZXSKGH-RBUKOAKNSA-N 1 1 467.684 1.707 20 30 JDEDMO C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)c1ccccc1 ZINC001507924296 1072856756 /nfs/dbraw/zinc/85/67/56/1072856756.db2.gz LDGBPLQTNJGLOD-HMXCVIKNSA-N 1 1 474.631 1.769 20 30 JDEDMO C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1)c1ccccc1 ZINC001507924296 1072856757 /nfs/dbraw/zinc/85/67/57/1072856757.db2.gz LDGBPLQTNJGLOD-HMXCVIKNSA-N 1 1 474.631 1.769 20 30 JDEDMO C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001507935482 1072857858 /nfs/dbraw/zinc/85/78/58/1072857858.db2.gz QINRQBLQHICJHQ-QYZOEREBSA-N 1 1 454.641 1.886 20 30 JDEDMO C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001507955345 1072860108 /nfs/dbraw/zinc/86/01/08/1072860108.db2.gz XEBOPQCFLZLBPY-GOSISDBHSA-N 1 1 454.641 1.888 20 30 JDEDMO C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507967471 1072862205 /nfs/dbraw/zinc/86/22/05/1072862205.db2.gz KAZZEISKTHGTRB-FCEUIQTBSA-N 1 1 460.623 1.754 20 30 JDEDMO C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507967472 1072862265 /nfs/dbraw/zinc/86/22/65/1072862265.db2.gz KAZZEISKTHGTRB-KSEOMHKRSA-N 1 1 460.623 1.754 20 30 JDEDMO C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001507981100 1072863269 /nfs/dbraw/zinc/86/32/69/1072863269.db2.gz IWSCFDWDYXPCRO-HXUWFJFHSA-N 1 1 459.616 1.807 20 30 JDEDMO C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001507981098 1072863328 /nfs/dbraw/zinc/86/33/28/1072863328.db2.gz IWSCFDWDYXPCRO-FQEVSTJZSA-N 1 1 459.616 1.807 20 30 JDEDMO C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C1CCCC1)C1CC1 ZINC001507993634 1072864713 /nfs/dbraw/zinc/86/47/13/1072864713.db2.gz SMPHTRDKJVNQHF-LJQANCHMSA-N 1 1 452.625 1.640 20 30 JDEDMO C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001508041178 1072869024 /nfs/dbraw/zinc/86/90/24/1072869024.db2.gz HWMWWSLNPBTBAP-UHFFFAOYSA-N 1 1 494.644 1.857 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001508071846 1072873150 /nfs/dbraw/zinc/87/31/50/1072873150.db2.gz GBLVMHIIMWUICC-QGZVFWFLSA-N 1 1 469.546 1.845 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)CC1 ZINC001508072489 1072874161 /nfs/dbraw/zinc/87/41/61/1072874161.db2.gz IGQSZIQUGFWORU-UHFFFAOYSA-N 1 1 466.384 1.117 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001508073187 1072874854 /nfs/dbraw/zinc/87/48/54/1072874854.db2.gz MJTPMISCYVKLIZ-UHFFFAOYSA-N 1 1 494.438 1.895 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001508073187 1072874855 /nfs/dbraw/zinc/87/48/55/1072874855.db2.gz MJTPMISCYVKLIZ-UHFFFAOYSA-N 1 1 494.438 1.895 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001508073652 1072875195 /nfs/dbraw/zinc/87/51/95/1072875195.db2.gz OPJJTNCQHUAWSH-SFHVURJKSA-N 1 1 484.601 1.954 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001508085278 1072882260 /nfs/dbraw/zinc/88/22/60/1072882260.db2.gz GMFGMYZBWSZQQC-JOCHJYFZSA-N 1 1 451.619 1.696 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001508088145 1072884281 /nfs/dbraw/zinc/88/42/81/1072884281.db2.gz WGSGTOPIHZQXGW-IBGZPJMESA-N 1 1 468.602 1.869 20 30 JDEDMO C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001508088991 1072884538 /nfs/dbraw/zinc/88/45/38/1072884538.db2.gz HVDJRNPPQWVUFL-IBGZPJMESA-N 1 1 456.595 1.147 20 30 JDEDMO C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001508090149 1072885837 /nfs/dbraw/zinc/88/58/37/1072885837.db2.gz MAGOBEBGOQVCCF-HBMCJLEFSA-N 1 1 459.639 1.469 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001508095323 1072890915 /nfs/dbraw/zinc/89/09/15/1072890915.db2.gz WAORNOSJZVKPLR-SFHVURJKSA-N 1 1 458.538 1.457 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001508095340 1072890941 /nfs/dbraw/zinc/89/09/41/1072890941.db2.gz WLKCDMNGZVRMQT-GOSISDBHSA-N 1 1 472.565 1.988 20 30 JDEDMO C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC001508097116 1072892163 /nfs/dbraw/zinc/89/21/63/1072892163.db2.gz MTAHYUJWVXQWAE-QFIPXVFZSA-N 1 1 495.628 1.772 20 30 JDEDMO C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001508099195 1072893993 /nfs/dbraw/zinc/89/39/93/1072893993.db2.gz VZIKEYMMHWEFLU-SFHLNBCPSA-N 1 1 460.623 1.800 20 30 JDEDMO C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001508127662 1072901157 /nfs/dbraw/zinc/90/11/57/1072901157.db2.gz WCLOWAZOAPBYFW-LEWJYISDSA-N 1 1 496.678 1.657 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001508131045 1072903079 /nfs/dbraw/zinc/90/30/79/1072903079.db2.gz KHABRMWPGPVGAP-UHFFFAOYSA-N 1 1 487.630 1.981 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001508135820 1072908624 /nfs/dbraw/zinc/90/86/24/1072908624.db2.gz MNLAQVOVABOSLM-FQEVSTJZSA-N 1 1 472.615 1.289 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001508137668 1072911823 /nfs/dbraw/zinc/91/18/23/1072911823.db2.gz PMHZTFQHZLDHPH-HXUWFJFHSA-N 1 1 490.605 1.428 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001508137667 1072911886 /nfs/dbraw/zinc/91/18/86/1072911886.db2.gz PMHZTFQHZLDHPH-FQEVSTJZSA-N 1 1 490.605 1.428 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001508141743 1072916589 /nfs/dbraw/zinc/91/65/89/1072916589.db2.gz YDLCGNIGXZQOIU-NRFANRHFSA-N 1 1 469.615 1.990 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001508141743 1072916597 /nfs/dbraw/zinc/91/65/97/1072916597.db2.gz YDLCGNIGXZQOIU-NRFANRHFSA-N 1 1 469.615 1.990 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001508141744 1072916622 /nfs/dbraw/zinc/91/66/22/1072916622.db2.gz YDLCGNIGXZQOIU-OAQYLSRUSA-N 1 1 469.615 1.990 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001508141744 1072916627 /nfs/dbraw/zinc/91/66/27/1072916627.db2.gz YDLCGNIGXZQOIU-OAQYLSRUSA-N 1 1 469.615 1.990 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001508143639 1072920089 /nfs/dbraw/zinc/92/00/89/1072920089.db2.gz MHSNICNJRGDVEB-DLBZAZTESA-N 1 1 478.644 1.543 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001508143645 1072920176 /nfs/dbraw/zinc/92/01/76/1072920176.db2.gz IYTZSWFFYWBWQG-HXUWFJFHSA-N 1 1 460.604 1.023 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001508143646 1072920261 /nfs/dbraw/zinc/92/02/61/1072920261.db2.gz MHSNICNJRGDVEB-IRXDYDNUSA-N 1 1 478.644 1.543 20 30 JDEDMO C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001508148665 1072928430 /nfs/dbraw/zinc/92/84/30/1072928430.db2.gz WWRLELVFSKJNGU-DYXWJJEUSA-N 1 1 497.662 1.292 20 30 JDEDMO C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001508148665 1072928434 /nfs/dbraw/zinc/92/84/34/1072928434.db2.gz WWRLELVFSKJNGU-DYXWJJEUSA-N 1 1 497.662 1.292 20 30 JDEDMO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001508175550 1072937267 /nfs/dbraw/zinc/93/72/67/1072937267.db2.gz OHUGLSCHUBQGBB-UHFFFAOYSA-N 1 1 451.575 1.986 20 30 JDEDMO CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC001508239743 1073014268 /nfs/dbraw/zinc/01/42/68/1073014268.db2.gz CFEPLMKCAGFGFH-GOSISDBHSA-N 1 1 451.575 1.985 20 30 JDEDMO CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC001508239743 1073014280 /nfs/dbraw/zinc/01/42/80/1073014280.db2.gz CFEPLMKCAGFGFH-GOSISDBHSA-N 1 1 451.575 1.985 20 30 JDEDMO CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC001508239747 1073014398 /nfs/dbraw/zinc/01/43/98/1073014398.db2.gz CFEPLMKCAGFGFH-SFHVURJKSA-N 1 1 451.575 1.985 20 30 JDEDMO CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC001508239747 1073014410 /nfs/dbraw/zinc/01/44/10/1073014410.db2.gz CFEPLMKCAGFGFH-SFHVURJKSA-N 1 1 451.575 1.985 20 30 JDEDMO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001508261142 1073029241 /nfs/dbraw/zinc/02/92/41/1073029241.db2.gz PUZGICDLHFYXCK-BGYRXZFFSA-N 1 1 481.601 1.897 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCNC(=O)C2CCC2)CC1 ZINC001508281176 1073060699 /nfs/dbraw/zinc/06/06/99/1073060699.db2.gz WUFLGGKCMNPPBU-UHFFFAOYSA-N 1 1 492.628 1.723 20 30 JDEDMO CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001508336468 1073094347 /nfs/dbraw/zinc/09/43/47/1073094347.db2.gz QBQKRTNTTRIFTD-UHFFFAOYSA-N 1 1 464.618 1.948 20 30 JDEDMO CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001508336468 1073094362 /nfs/dbraw/zinc/09/43/62/1073094362.db2.gz QBQKRTNTTRIFTD-UHFFFAOYSA-N 1 1 464.618 1.948 20 30 JDEDMO CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001508336468 1073094374 /nfs/dbraw/zinc/09/43/74/1073094374.db2.gz QBQKRTNTTRIFTD-UHFFFAOYSA-N 1 1 464.618 1.948 20 30 JDEDMO C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001508428418 1073222942 /nfs/dbraw/zinc/22/29/42/1073222942.db2.gz VEEXFVPVMQFXSC-OFVILXPXSA-N 1 1 466.634 1.305 20 30 JDEDMO C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001508428418 1073222964 /nfs/dbraw/zinc/22/29/64/1073222964.db2.gz VEEXFVPVMQFXSC-OFVILXPXSA-N 1 1 466.634 1.305 20 30 JDEDMO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC[NH+]1CCOCC1 ZINC001508648650 1073310770 /nfs/dbraw/zinc/31/07/70/1073310770.db2.gz VBEUTSGNBAITBE-WZONZLPQSA-N 1 1 493.584 1.751 20 30 JDEDMO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC[NH+]1CCOCC1 ZINC001508648644 1073310783 /nfs/dbraw/zinc/31/07/83/1073310783.db2.gz VBEUTSGNBAITBE-JPYJTQIMSA-N 1 1 493.584 1.751 20 30 JDEDMO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC[NH+]1CCOCC1 ZINC001508648641 1073310892 /nfs/dbraw/zinc/31/08/92/1073310892.db2.gz VBEUTSGNBAITBE-FDDCHVKYSA-N 1 1 493.584 1.751 20 30 JDEDMO CC(C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001508959308 1073455452 /nfs/dbraw/zinc/45/54/52/1073455452.db2.gz MTZLRPUAOHNWHL-ZNTNEXAZSA-N 1 1 484.649 1.923 20 30 JDEDMO CC(C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001508959307 1073456013 /nfs/dbraw/zinc/45/60/13/1073456013.db2.gz MTZLRPUAOHNWHL-GYHWCHFESA-N 1 1 484.649 1.923 20 30 JDEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001509416812 1073593846 /nfs/dbraw/zinc/59/38/46/1073593846.db2.gz ZNUNRGKMRORULZ-JQVVWYNYSA-N 1 1 497.641 1.421 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001509432944 1073611259 /nfs/dbraw/zinc/61/12/59/1073611259.db2.gz HKMWFNAEZAWQGL-MSOLQXFVSA-N 1 1 467.640 1.375 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001509432948 1073612163 /nfs/dbraw/zinc/61/21/63/1073612163.db2.gz HKMWFNAEZAWQGL-ROUUACIJSA-N 1 1 467.640 1.375 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001509438654 1073620047 /nfs/dbraw/zinc/62/00/47/1073620047.db2.gz ZERJXKUDRNVJQY-NQIIRXRSSA-N 1 1 451.575 1.840 20 30 JDEDMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001509515542 1073659291 /nfs/dbraw/zinc/65/92/91/1073659291.db2.gz VHWVKZJSZOYHHO-IBGZPJMESA-N 1 1 451.579 1.553 20 30 JDEDMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001509527087 1073668290 /nfs/dbraw/zinc/66/82/90/1073668290.db2.gz ZGDWQBGFJYMJJW-GOSISDBHSA-N 1 1 466.594 1.117 20 30 JDEDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccn3C)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001509555441 1073679371 /nfs/dbraw/zinc/67/93/71/1073679371.db2.gz CBBHWICCXQJZQB-LSDHQDQOSA-N 1 1 452.563 1.731 20 30 JDEDMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccn3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001509558183 1073680961 /nfs/dbraw/zinc/68/09/61/1073680961.db2.gz WEIYZDVQBZKYNJ-LSDHQDQOSA-N 1 1 450.547 1.787 20 30 JDEDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)C2)C1 ZINC001164719020 720265005 /nfs/dbraw/zinc/26/50/05/720265005.db2.gz KJBXZGRWZXYELH-CYFREDJKSA-N 1 1 452.534 1.936 20 30 JDEDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)C2)C1 ZINC001164719020 720265016 /nfs/dbraw/zinc/26/50/16/720265016.db2.gz KJBXZGRWZXYELH-CYFREDJKSA-N 1 1 452.534 1.936 20 30 JDEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164874325 721285423 /nfs/dbraw/zinc/28/54/23/721285423.db2.gz PZKKUEXORYVADS-GOSISDBHSA-N 1 1 480.569 1.417 20 30 JDEDMO C[NH+]1CCN(c2ncnc3c2CCN(c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)CC3)CC1 ZINC001165002551 722238927 /nfs/dbraw/zinc/23/89/27/722238927.db2.gz VEECUGSBFDJLNC-SFHVURJKSA-N 1 1 464.574 1.572 20 30 JDEDMO CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001500790781 1069315190 /nfs/dbraw/zinc/31/51/90/1069315190.db2.gz YMOSDXIIEDIXRC-HXUWFJFHSA-N 1 1 486.646 1.505 20 30 JDEDMO CCC[N@@H+](CC)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001500790430 1069315273 /nfs/dbraw/zinc/31/52/73/1069315273.db2.gz USZVLWYHCNSZMV-OALUTQOASA-N 1 1 453.595 1.891 20 30 JDEDMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001500954985 1069339542 /nfs/dbraw/zinc/33/95/42/1069339542.db2.gz JYLKSRNZUKZGCV-HXUWFJFHSA-N 1 1 466.590 1.922 20 30 JDEDMO CCC[N@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 ZINC001500958451 1069340048 /nfs/dbraw/zinc/34/00/48/1069340048.db2.gz RXQKZZXPAAXNAH-RBUKOAKNSA-N 1 1 453.595 1.923 20 30 JDEDMO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001501130866 1069406111 /nfs/dbraw/zinc/40/61/11/1069406111.db2.gz HPIUBVJKGIQNSY-UHFFFAOYSA-N 1 1 492.628 1.723 20 30 JDEDMO CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001501218782 1069466318 /nfs/dbraw/zinc/46/63/18/1069466318.db2.gz WBIQKRINSXNLLQ-RXVVDRJESA-N 1 1 467.574 1.412 20 30 JDEDMO N#Cc1ncccc1S(=O)(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001475656064 1069515862 /nfs/dbraw/zinc/51/58/62/1069515862.db2.gz QBZYZSPGMWVGFE-UHFFFAOYSA-N 1 1 454.556 1.197 20 30 JDEDMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)CC1 ZINC001475684318 1069525289 /nfs/dbraw/zinc/52/52/89/1069525289.db2.gz ZBGKRXDPWLJATE-IBGZPJMESA-N 1 1 457.512 1.130 20 30 JDEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 ZINC001501769328 1069621954 /nfs/dbraw/zinc/62/19/54/1069621954.db2.gz BYLVREBRTGCHFX-UHFFFAOYSA-N 1 1 476.589 1.374 20 30 JDEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 ZINC001501769328 1069621977 /nfs/dbraw/zinc/62/19/77/1069621977.db2.gz BYLVREBRTGCHFX-UHFFFAOYSA-N 1 1 476.589 1.374 20 30 JDEDMO Cc1ccc(-n2nc(CCCNC(=O)NC3CC[NH+](CCN(C)C)CC3)c(C#N)c2N)cc1 ZINC001477380538 1069817263 /nfs/dbraw/zinc/81/72/63/1069817263.db2.gz RNFKAYLYOCTAHL-UHFFFAOYSA-N 1 1 452.607 1.892 20 30 JDEDMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C ZINC001502185465 1069846537 /nfs/dbraw/zinc/84/65/37/1069846537.db2.gz GGVPWPGESVMIDE-LJQANCHMSA-N 1 1 451.579 1.832 20 30 JDEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)C1CC1 ZINC001502188928 1069849407 /nfs/dbraw/zinc/84/94/07/1069849407.db2.gz JPSPKUULQPMSIB-UHFFFAOYSA-N 1 1 478.601 1.474 20 30 JDEDMO CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC[N@@H+](C)CCCOC)CCN2C1=O ZINC001502214970 1069876156 /nfs/dbraw/zinc/87/61/56/1069876156.db2.gz KVMLEKZSLPZELW-FQEVSTJZSA-N 1 1 480.573 1.258 20 30 JDEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001502248868 1069930101 /nfs/dbraw/zinc/93/01/01/1069930101.db2.gz CSHLVLIKXORWDI-ZWKOTPCHSA-N 1 1 472.615 1.675 20 30 JDEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001502250080 1069932145 /nfs/dbraw/zinc/93/21/45/1069932145.db2.gz TXPVMIXBHREBDB-QZTJIDSGSA-N 1 1 460.604 1.797 20 30 JDEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001502250079 1069932449 /nfs/dbraw/zinc/93/24/49/1069932449.db2.gz TXPVMIXBHREBDB-MSOLQXFVSA-N 1 1 460.604 1.797 20 30 JDEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@H]1C ZINC001502252444 1069933818 /nfs/dbraw/zinc/93/38/18/1069933818.db2.gz YCAKDJBCORENAE-QZTJIDSGSA-N 1 1 498.613 1.843 20 30 JDEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@H]1C ZINC001502252443 1069934234 /nfs/dbraw/zinc/93/42/34/1069934234.db2.gz YCAKDJBCORENAE-MSOLQXFVSA-N 1 1 498.613 1.843 20 30 JDEDMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC001502259830 1069959709 /nfs/dbraw/zinc/95/97/09/1069959709.db2.gz QXLHRUMTKUWENI-KYIBQMDOSA-N 1 1 464.574 1.709 20 30 JDEDMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC001502259831 1069959946 /nfs/dbraw/zinc/95/99/46/1069959946.db2.gz QXLHRUMTKUWENI-TYOXBBRLSA-N 1 1 464.574 1.709 20 30 JDEDMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@H]1C ZINC001478334835 1069967307 /nfs/dbraw/zinc/96/73/07/1069967307.db2.gz IQWIUIURBYVVQJ-FPRSRYDQSA-N 1 1 474.627 1.775 20 30 JDEDMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001502278641 1070007030 /nfs/dbraw/zinc/00/70/30/1070007030.db2.gz HLNGHXOQCFADFG-PKOBYXMFSA-N 1 1 460.604 1.940 20 30 JDEDMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001502278638 1070007292 /nfs/dbraw/zinc/00/72/92/1070007292.db2.gz HLNGHXOQCFADFG-HKUYNNGSSA-N 1 1 460.604 1.940 20 30 JDEDMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CCOC)C(=O)C2)C1 ZINC001502279417 1070008400 /nfs/dbraw/zinc/00/84/00/1070008400.db2.gz WFQMINWRIQXSJX-HXUWFJFHSA-N 1 1 467.574 1.366 20 30 JDEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001502281795 1070015245 /nfs/dbraw/zinc/01/52/45/1070015245.db2.gz NNMIMWKCPMDQJL-LJQANCHMSA-N 1 1 451.579 1.494 20 30 JDEDMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 ZINC001502290511 1070028261 /nfs/dbraw/zinc/02/82/61/1070028261.db2.gz JLBNCECUTMQDGP-OAQYLSRUSA-N 1 1 453.591 1.981 20 30 JDEDMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001502291068 1070029341 /nfs/dbraw/zinc/02/93/41/1070029341.db2.gz UOVOAFPPPVYDHJ-SFHLNBCPSA-N 1 1 468.558 1.573 20 30 JDEDMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001502296966 1070040653 /nfs/dbraw/zinc/04/06/53/1070040653.db2.gz RCXCRENKSNVLPD-RCCFBDPRSA-N 1 1 453.613 1.081 20 30 JDEDMO C#CC[N@H+](C)CCCNC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001478735212 1070045250 /nfs/dbraw/zinc/04/52/50/1070045250.db2.gz GKVCJQVDWZMEJT-IBGZPJMESA-N 1 1 451.612 1.831 20 30 JDEDMO C#CC[N@H+](C)CCCNC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001478735213 1070045526 /nfs/dbraw/zinc/04/55/26/1070045526.db2.gz GKVCJQVDWZMEJT-LJQANCHMSA-N 1 1 451.612 1.831 20 30 JDEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502311064 1070077320 /nfs/dbraw/zinc/07/73/20/1070077320.db2.gz LSWKGAXQQIDGNF-YLJYHZDGSA-N 1 1 454.535 1.608 20 30 JDEDMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001502312243 1070083285 /nfs/dbraw/zinc/08/32/85/1070083285.db2.gz IWIZAWQOIZIFMH-RXVVDRJESA-N 1 1 450.591 1.763 20 30 JDEDMO CC[N@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001502331185 1070165783 /nfs/dbraw/zinc/16/57/83/1070165783.db2.gz KVLTYSLINYLIJU-FQEVSTJZSA-N 1 1 453.591 1.981 20 30 JDEDMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)C2)CC1 ZINC001502334560 1070187567 /nfs/dbraw/zinc/18/75/67/1070187567.db2.gz KRKSEXRQEORIOQ-QFIPXVFZSA-N 1 1 464.618 1.901 20 30 JDEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502339561 1070218066 /nfs/dbraw/zinc/21/80/66/1070218066.db2.gz AFBNGXLUTYBTJH-FQEVSTJZSA-N 1 1 480.617 1.979 20 30 JDEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001502340938 1070222314 /nfs/dbraw/zinc/22/23/14/1070222314.db2.gz LEPZSWDYWDLXIE-OAQYLSRUSA-N 1 1 494.644 1.385 20 30 JDEDMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001493168366 1070228813 /nfs/dbraw/zinc/22/88/13/1070228813.db2.gz DKVJOBWJKCQHDV-NQIIRXRSSA-N 1 1 478.601 1.426 20 30 JDEDMO CC[NH+]1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001502356115 1070290245 /nfs/dbraw/zinc/29/02/45/1070290245.db2.gz KBXWDBXSNZASSX-UHFFFAOYSA-N 1 1 480.617 1.315 20 30 JDEDMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001493785616 1070344399 /nfs/dbraw/zinc/34/43/99/1070344399.db2.gz LQFDEKAHSLAHSG-FGTMMUONSA-N 1 1 453.613 1.129 20 30 JDEDMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001493796546 1070348904 /nfs/dbraw/zinc/34/89/04/1070348904.db2.gz LPGFAJPOTBDZMC-UYAOXDASSA-N 1 1 487.630 1.656 20 30 JDEDMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001493796542 1070349103 /nfs/dbraw/zinc/34/91/03/1070349103.db2.gz LPGFAJPOTBDZMC-AZUAARDMSA-N 1 1 487.630 1.656 20 30 JDEDMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001494108927 1070398755 /nfs/dbraw/zinc/39/87/55/1070398755.db2.gz YUFNNFSQVDRILO-SFHVURJKSA-N 1 1 450.591 1.510 20 30 JDEDMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001494108927 1070398768 /nfs/dbraw/zinc/39/87/68/1070398768.db2.gz YUFNNFSQVDRILO-SFHVURJKSA-N 1 1 450.591 1.510 20 30 JDEDMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001494108927 1070398784 /nfs/dbraw/zinc/39/87/84/1070398784.db2.gz YUFNNFSQVDRILO-SFHVURJKSA-N 1 1 450.591 1.510 20 30 JDEDMO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001494236749 1070515606 /nfs/dbraw/zinc/51/56/06/1070515606.db2.gz SVMYEDUNWBHVLY-RXVVDRJESA-N 1 1 451.575 1.842 20 30 JDEDMO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC(=O)N1C ZINC001494481086 1070600108 /nfs/dbraw/zinc/60/01/08/1070600108.db2.gz ZBEAVTCTMXJHDK-CTNGQTDRSA-N 1 1 481.601 1.633 20 30 JDEDMO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001494481092 1070600178 /nfs/dbraw/zinc/60/01/78/1070600178.db2.gz ZBEAVTCTMXJHDK-TZIWHRDSSA-N 1 1 481.601 1.633 20 30 JDEDMO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C[C@H](C)O1 ZINC001494520938 1070613551 /nfs/dbraw/zinc/61/35/51/1070613551.db2.gz WPIVOCYJMPMACR-QRVBRYPASA-N 1 1 451.575 1.983 20 30 JDEDMO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001494523386 1070617664 /nfs/dbraw/zinc/61/76/64/1070617664.db2.gz LKVSJUPJHGHEFK-KDURUIRLSA-N 1 1 487.630 1.398 20 30 JDEDMO CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001502507480 1070627656 /nfs/dbraw/zinc/62/76/56/1070627656.db2.gz RUKLMKAOSSVTLZ-FQEVSTJZSA-N 1 1 497.600 1.976 20 30 JDEDMO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001502534264 1070657942 /nfs/dbraw/zinc/65/79/42/1070657942.db2.gz CSACILAHDXUHGN-NTKDMRAZSA-N 1 1 483.573 1.510 20 30 JDEDMO CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCOC1 ZINC001502729931 1070840813 /nfs/dbraw/zinc/84/08/13/1070840813.db2.gz UCJYMHJDHBXOJF-PABYOWBDSA-N 1 1 462.595 1.547 20 30 JDEDMO CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001503104385 1071056034 /nfs/dbraw/zinc/05/60/34/1071056034.db2.gz UBXOXCPUOKLEFT-NRFANRHFSA-N 1 1 495.632 1.351 20 30 JDEDMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001503217987 1071169030 /nfs/dbraw/zinc/16/90/30/1071169030.db2.gz FCBFKNSVSBQHTB-UHFFFAOYSA-N 1 1 480.617 1.139 20 30 JDEDMO CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001503282542 1071439941 /nfs/dbraw/zinc/43/99/41/1071439941.db2.gz MQUGFIGXQIWMSA-SFHVURJKSA-N 1 1 487.630 1.446 20 30 JDEDMO COC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504600393 1071451443 /nfs/dbraw/zinc/45/14/43/1071451443.db2.gz YZUYWNDDZNQOIJ-JOCHJYFZSA-N 1 1 481.601 1.646 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 ZINC001503360338 1071573292 /nfs/dbraw/zinc/57/32/92/1071573292.db2.gz PTLFSYJMIKXALP-FQEVSTJZSA-N 1 1 470.622 1.587 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001503360680 1071573835 /nfs/dbraw/zinc/57/38/35/1071573835.db2.gz QQGBPRRPKYNUCM-HXUWFJFHSA-N 1 1 487.630 1.240 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001503360680 1071573838 /nfs/dbraw/zinc/57/38/38/1071573838.db2.gz QQGBPRRPKYNUCM-HXUWFJFHSA-N 1 1 487.630 1.240 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001503360677 1071573874 /nfs/dbraw/zinc/57/38/74/1071573874.db2.gz QQGBPRRPKYNUCM-FQEVSTJZSA-N 1 1 487.630 1.240 20 30 JDEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001503360677 1071573888 /nfs/dbraw/zinc/57/38/88/1071573888.db2.gz QQGBPRRPKYNUCM-FQEVSTJZSA-N 1 1 487.630 1.240 20 30 JDEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001503360785 1071575048 /nfs/dbraw/zinc/57/50/48/1071575048.db2.gz RVKGQPGBVDZNED-RBBKRZOGSA-N 1 1 492.628 1.851 20 30 JDEDMO COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC001504737458 1071613849 /nfs/dbraw/zinc/61/38/49/1071613849.db2.gz ZYNHZRKLNSRSMJ-KPDCDPCYSA-N 1 1 456.547 1.035 20 30 JDEDMO CN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001503375152 1071614178 /nfs/dbraw/zinc/61/41/78/1071614178.db2.gz KSPZOFPGGQBZOX-UHFFFAOYSA-N 1 1 458.570 1.936 20 30 JDEDMO CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001503377066 1071625930 /nfs/dbraw/zinc/62/59/30/1071625930.db2.gz JUDNAIUYWKJXTA-HSZRJFAPSA-N 1 1 494.644 1.264 20 30 JDEDMO C[NH+](C)CCN1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 ZINC001503401845 1071665252 /nfs/dbraw/zinc/66/52/52/1071665252.db2.gz TYWQDVOQXHJBCX-UHFFFAOYSA-N 1 1 485.658 1.571 20 30 JDEDMO COCCC[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001504815471 1071688154 /nfs/dbraw/zinc/68/81/54/1071688154.db2.gz VNZBPYFFSUAYRY-UHFFFAOYSA-N 1 1 466.594 1.482 20 30 JDEDMO COCCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001504815732 1071688677 /nfs/dbraw/zinc/68/86/77/1071688677.db2.gz XNVXAHGHLICWKS-HXUWFJFHSA-N 1 1 452.563 1.341 20 30 JDEDMO COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001504830576 1071713814 /nfs/dbraw/zinc/71/38/14/1071713814.db2.gz ZJVGPBJMDNPOAQ-NRFANRHFSA-N 1 1 467.574 1.508 20 30 JDEDMO COCC[N@@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001504851382 1071751306 /nfs/dbraw/zinc/75/13/06/1071751306.db2.gz LSSASHMEYAIZEY-UHFFFAOYSA-N 1 1 451.575 1.892 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC001504853742 1071759981 /nfs/dbraw/zinc/75/99/81/1071759981.db2.gz ALQRVNHHMDNOLN-JOCHJYFZSA-N 1 1 464.574 1.805 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001504854533 1071763788 /nfs/dbraw/zinc/76/37/88/1071763788.db2.gz QUALYAVSZVKWHE-UHFFFAOYSA-N 1 1 451.575 1.844 20 30 JDEDMO COCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001504854806 1071764674 /nfs/dbraw/zinc/76/46/74/1071764674.db2.gz LTCPOTMNJNEVGT-UHFFFAOYSA-N 1 1 458.526 1.930 20 30 JDEDMO COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001504854806 1071764686 /nfs/dbraw/zinc/76/46/86/1071764686.db2.gz LTCPOTMNJNEVGT-UHFFFAOYSA-N 1 1 458.526 1.930 20 30 JDEDMO COCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N ZINC001504857426 1071776194 /nfs/dbraw/zinc/77/61/94/1071776194.db2.gz LDJXBKBTNUPJGP-MSOLQXFVSA-N 1 1 465.599 1.903 20 30 JDEDMO CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001503478928 1071799327 /nfs/dbraw/zinc/79/93/27/1071799327.db2.gz PEHSQZDLVYAYBU-NRFANRHFSA-N 1 1 451.575 1.755 20 30 JDEDMO COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504884277 1071809780 /nfs/dbraw/zinc/80/97/80/1071809780.db2.gz XKDNWPTUPYHBID-UHFFFAOYSA-N 1 1 493.410 1.566 20 30 JDEDMO COCC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C#N)o2)CC1 ZINC001504910425 1071864417 /nfs/dbraw/zinc/86/44/17/1071864417.db2.gz JIJPEUZZZRRFIT-UHFFFAOYSA-N 1 1 499.597 1.477 20 30 JDEDMO COCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 ZINC001504910373 1071864535 /nfs/dbraw/zinc/86/45/35/1071864535.db2.gz ISFMQJNVIWVIAX-UHFFFAOYSA-N 1 1 451.575 1.988 20 30 JDEDMO CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001503619719 1071909864 /nfs/dbraw/zinc/90/98/64/1071909864.db2.gz JKTLTFZICIOAKF-UHFFFAOYSA-N 1 1 453.591 1.696 20 30 JDEDMO CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001503619719 1071909874 /nfs/dbraw/zinc/90/98/74/1071909874.db2.gz JKTLTFZICIOAKF-UHFFFAOYSA-N 1 1 453.591 1.696 20 30 JDEDMO CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001503638103 1071954999 /nfs/dbraw/zinc/95/49/99/1071954999.db2.gz AZDCCJSYIDAQKW-GOSISDBHSA-N 1 1 469.571 1.669 20 30 JDEDMO COCCO[C@@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001504967548 1072015179 /nfs/dbraw/zinc/01/51/79/1072015179.db2.gz FKVVELQDTOTZHG-YWZLYKJASA-N 1 1 455.563 1.877 20 30 JDEDMO CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001505140069 1072342206 /nfs/dbraw/zinc/34/22/06/1072342206.db2.gz SSGXGIQGBRFHGV-UHFFFAOYSA-N 1 1 473.603 1.057 20 30 JDEDMO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC001465887698 1067839847 /nfs/dbraw/zinc/83/98/47/1067839847.db2.gz ILQBSKRFLOFQSK-HKUYNNGSSA-N 1 1 450.605 1.493 20 30 JDEDMO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001466927675 1067948341 /nfs/dbraw/zinc/94/83/41/1067948341.db2.gz NUPFWJOEWKUFQF-WMZOPIPTSA-N 1 1 450.605 1.443 20 30 JDEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C(C)C ZINC001467660639 1068047459 /nfs/dbraw/zinc/04/74/59/1068047459.db2.gz VYCYWJTUIPZVCB-KLOMGHIOSA-N 1 1 455.621 1.883 20 30 JDEDMO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C[C@H]1[NH+]1CCOCC1 ZINC001499695461 1069043679 /nfs/dbraw/zinc/04/36/79/1069043679.db2.gz AHTQCIHJBCIBJT-RBBKRZOGSA-N 1 1 451.575 1.890 20 30 JDEDMO CC[C@H]1CN(c2nnc(C3CCC3)n2CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1CCOC ZINC001499724427 1069055038 /nfs/dbraw/zinc/05/50/38/1069055038.db2.gz MKEYQHBNRLRBSO-BKBKCADHSA-N 1 1 457.579 1.619 20 30 JDEDMO CC[C@@H]1CN(c2nnc(C3CCC3)n2CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1CCOC ZINC001499724430 1069055084 /nfs/dbraw/zinc/05/50/84/1069055084.db2.gz MKEYQHBNRLRBSO-ZBKJMMEJSA-N 1 1 457.579 1.619 20 30 JDEDMO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)C(=O)C1 ZINC001473399823 1069138782 /nfs/dbraw/zinc/13/87/82/1069138782.db2.gz CLLDNWKFJVYVRX-HXUWFJFHSA-N 1 1 455.559 1.718 20 30 JDEDMO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)C(=O)C1 ZINC001473399823 1069138788 /nfs/dbraw/zinc/13/87/88/1069138788.db2.gz CLLDNWKFJVYVRX-HXUWFJFHSA-N 1 1 455.559 1.718 20 30 JDEDMO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001500250286 1069221927 /nfs/dbraw/zinc/22/19/27/1069221927.db2.gz SCQKYFVYFJUXHQ-JOCHJYFZSA-N 1 1 481.601 1.613 20 30 JDEDMO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001473808688 1069227174 /nfs/dbraw/zinc/22/71/74/1069227174.db2.gz ILHGFHHWOJFWHS-SFHVURJKSA-N 1 1 451.589 1.746 20 30 JDEDMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001500417148 1069248904 /nfs/dbraw/zinc/24/89/04/1069248904.db2.gz JQWYDLOYCVZQPT-FQEVSTJZSA-N 1 1 486.646 1.505 20 30 JDEDMO N#Cc1cccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c1Cl ZINC001474851993 1069287249 /nfs/dbraw/zinc/28/72/49/1069287249.db2.gz OJBZVCYLQKJTOC-UHFFFAOYSA-N 1 1 454.980 1.451 20 30 JDEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCCCO)CC2)cc1 ZINC001505316065 1072481567 /nfs/dbraw/zinc/48/15/67/1072481567.db2.gz FEMGNCLPUJEWCT-NRFANRHFSA-N 1 1 467.574 1.212 20 30 JDEDMO N#Cc1ccc(C[NH+]2CCN(c3nnc(CN4CCCC4=O)n3CCOCC(F)F)CC2)cc1 ZINC001505317623 1072482683 /nfs/dbraw/zinc/48/26/83/1072482683.db2.gz VHLHHKIGARXKRF-UHFFFAOYSA-N 1 1 473.528 1.876 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001507516362 1072594356 /nfs/dbraw/zinc/59/43/56/1072594356.db2.gz BXGQQNGPFBXGRE-HKUYNNGSSA-N 1 1 473.647 1.851 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@@H+]1CCOCC1(C)C ZINC001507530098 1072596762 /nfs/dbraw/zinc/59/67/62/1072596762.db2.gz VXHRBUOONCBSCJ-QGZVFWFLSA-N 1 1 459.620 1.807 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+]1CCOCC1(C)C ZINC001507530098 1072596779 /nfs/dbraw/zinc/59/67/79/1072596779.db2.gz VXHRBUOONCBSCJ-QGZVFWFLSA-N 1 1 459.620 1.807 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001507535045 1072598211 /nfs/dbraw/zinc/59/82/11/1072598211.db2.gz XADYZHLLWGZTMT-RTBURBONSA-N 1 1 463.586 1.887 20 30 JDEDMO C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001507536479 1072598545 /nfs/dbraw/zinc/59/85/45/1072598545.db2.gz DYSSCZVEUKHSMK-FPOVZHCZSA-N 1 1 462.602 1.917 20 30 JDEDMO C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001507536485 1072598779 /nfs/dbraw/zinc/59/87/79/1072598779.db2.gz DYSSCZVEUKHSMK-TZIWHRDSSA-N 1 1 462.602 1.917 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001507545654 1072606897 /nfs/dbraw/zinc/60/68/97/1072606897.db2.gz ABUGNIRMADESMF-JOCHJYFZSA-N 1 1 495.628 1.829 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001507546834 1072607992 /nfs/dbraw/zinc/60/79/92/1072607992.db2.gz IQVHLSXKENKLPS-IBGZPJMESA-N 1 1 481.601 1.441 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001507551020 1072612931 /nfs/dbraw/zinc/61/29/31/1072612931.db2.gz UDRFAUZOKHZBAF-YADHBBJMSA-N 1 1 493.612 1.642 20 30 JDEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC[NH+]2CCN(CC)CC2)c1 ZINC001507550541 1072613054 /nfs/dbraw/zinc/61/30/54/1072613054.db2.gz MHNJULOJKLZEPN-QFIPXVFZSA-N 1 1 479.629 1.866 20 30 JDEDMO C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001507564394 1072622866 /nfs/dbraw/zinc/62/28/66/1072622866.db2.gz PHZZRYXLVLRVFF-YADHBBJMSA-N 1 1 492.690 1.215 20 30 JDEDMO C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507571955 1072625843 /nfs/dbraw/zinc/62/58/43/1072625843.db2.gz SFJLZDUUCSWVSS-UDIDDNNKSA-N 1 1 472.634 1.794 20 30 JDEDMO C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507571953 1072626061 /nfs/dbraw/zinc/62/60/61/1072626061.db2.gz SFJLZDUUCSWVSS-SNJCGAMXSA-N 1 1 472.634 1.794 20 30 JDEDMO C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001507576969 1072629477 /nfs/dbraw/zinc/62/94/77/1072629477.db2.gz NYHCHFYZQZDXMZ-LJQANCHMSA-N 1 1 474.631 1.766 20 30 JDEDMO C#CCCCCn1c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001507576619 1072629688 /nfs/dbraw/zinc/62/96/88/1072629688.db2.gz YTTQWKXTSJGXCD-RDPSFJRHSA-N 1 1 458.607 1.477 20 30 JDEDMO C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001507605953 1072637513 /nfs/dbraw/zinc/63/75/13/1072637513.db2.gz ZVVHDMREKHTCDI-UHFFFAOYSA-N 1 1 459.620 1.727 20 30 JDEDMO C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+]1CCOCC1(C)C ZINC001507605953 1072637527 /nfs/dbraw/zinc/63/75/27/1072637527.db2.gz ZVVHDMREKHTCDI-UHFFFAOYSA-N 1 1 459.620 1.727 20 30 JDEDMO C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001507604846 1072637724 /nfs/dbraw/zinc/63/77/24/1072637724.db2.gz NMCHKVRLFUQPFI-UHFFFAOYSA-N 1 1 459.620 1.727 20 30 JDEDMO C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507622627 1072648256 /nfs/dbraw/zinc/64/82/56/1072648256.db2.gz JXWSDZKQZLRCSB-WOJBJXKFSA-N 1 1 490.674 1.651 20 30 JDEDMO C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001507622790 1072648646 /nfs/dbraw/zinc/64/86/46/1072648646.db2.gz LZKTWMUOBAOMIL-NRFANRHFSA-N 1 1 495.609 1.979 20 30 JDEDMO C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507622791 1072649476 /nfs/dbraw/zinc/64/94/76/1072649476.db2.gz LZKTWMUOBAOMIL-OAQYLSRUSA-N 1 1 495.609 1.979 20 30 JDEDMO C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507624500 1072654407 /nfs/dbraw/zinc/65/44/07/1072654407.db2.gz APMYQMNNZAIZLR-SIKLNZKXSA-N 1 1 467.636 1.286 20 30 JDEDMO C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507624827 1072656304 /nfs/dbraw/zinc/65/63/04/1072656304.db2.gz DZDPFTIIEWBXTN-WIYYLYMNSA-N 1 1 463.991 1.292 20 30 JDEDMO C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001507627808 1072667511 /nfs/dbraw/zinc/66/75/11/1072667511.db2.gz FZJUMPTWZAHORF-VQTJNVASSA-N 1 1 487.626 1.427 20 30 JDEDMO C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+](C)CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001507629702 1072674254 /nfs/dbraw/zinc/67/42/54/1072674254.db2.gz OPPHAYGZOJVDRR-HXUWFJFHSA-N 1 1 456.572 1.022 20 30 JDEDMO C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[N@H+](C)CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001507629702 1072674271 /nfs/dbraw/zinc/67/42/71/1072674271.db2.gz OPPHAYGZOJVDRR-HXUWFJFHSA-N 1 1 456.572 1.022 20 30 JDEDMO C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+](C)CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001507629696 1072674309 /nfs/dbraw/zinc/67/43/09/1072674309.db2.gz OPPHAYGZOJVDRR-FQEVSTJZSA-N 1 1 456.572 1.022 20 30 JDEDMO C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[N@H+](C)CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001507629696 1072674317 /nfs/dbraw/zinc/67/43/17/1072674317.db2.gz OPPHAYGZOJVDRR-FQEVSTJZSA-N 1 1 456.572 1.022 20 30 JDEDMO C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507629820 1072675521 /nfs/dbraw/zinc/67/55/21/1072675521.db2.gz WRMYDTCYTFZCAS-VGOFRKELSA-N 1 1 494.017 1.300 20 30 JDEDMO C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507632890 1072698972 /nfs/dbraw/zinc/69/89/72/1072698972.db2.gz QGLKBNOXBRPAJY-VQTJNVASSA-N 1 1 460.604 1.784 20 30 JDEDMO C#CCN(c1nnc(Cc2csc(C)n2)n1CC[N@@H+]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001507635002 1072710112 /nfs/dbraw/zinc/71/01/12/1072710112.db2.gz OWPIZTCSHQHNEZ-APWZRJJASA-N 1 1 462.645 1.745 20 30 JDEDMO C#CCN(c1nnc(Cc2ccncc2)n1CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001507635315 1072711724 /nfs/dbraw/zinc/71/17/24/1072711724.db2.gz RUWMSZYVCFFAHZ-OAQYLSRUSA-N 1 1 467.599 1.876 20 30 JDEDMO C#CCN(c1nnc(COc2ccccc2OC)n1CC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507636729 1072715424 /nfs/dbraw/zinc/71/54/24/1072715424.db2.gz CTLNNJFVLDYTID-LJQANCHMSA-N 1 1 473.599 1.588 20 30 JDEDMO C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[N@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507640055 1072730124 /nfs/dbraw/zinc/73/01/24/1072730124.db2.gz OIQPREOXMNVZRQ-PMACEKPBSA-N 1 1 459.620 1.108 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001507642073 1072735425 /nfs/dbraw/zinc/73/54/25/1072735425.db2.gz GMEADXZDPMNECJ-VQTJNVASSA-N 1 1 484.626 1.230 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001507642073 1072735443 /nfs/dbraw/zinc/73/54/43/1072735443.db2.gz GMEADXZDPMNECJ-VQTJNVASSA-N 1 1 484.626 1.230 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001507652207 1072741938 /nfs/dbraw/zinc/74/19/38/1072741938.db2.gz FBWUNKKGORKFPJ-RTWAWAEBSA-N 1 1 486.617 1.506 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001507652205 1072741973 /nfs/dbraw/zinc/74/19/73/1072741973.db2.gz FBWUNKKGORKFPJ-NHCUHLMSSA-N 1 1 486.617 1.506 20 30 JDEDMO C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001507653525 1072744760 /nfs/dbraw/zinc/74/47/60/1072744760.db2.gz RBCCCJYRBYNNRB-LJQANCHMSA-N 1 1 451.575 1.352 20 30 JDEDMO C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001507654025 1072746476 /nfs/dbraw/zinc/74/64/76/1072746476.db2.gz UQJJLCAKYIOGAT-YADHBBJMSA-N 1 1 488.658 1.481 20 30 JDEDMO C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001507655285 1072747694 /nfs/dbraw/zinc/74/76/94/1072747694.db2.gz FCHXDVOZFFUQAZ-UHFFFAOYSA-N 1 1 450.587 1.965 20 30 JDEDMO C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001507658915 1072749149 /nfs/dbraw/zinc/74/91/49/1072749149.db2.gz INJPAJPRXAUALI-UHFFFAOYSA-N 1 1 460.582 1.858 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001507660457 1072749873 /nfs/dbraw/zinc/74/98/73/1072749873.db2.gz UPLIDZVEIVDYEY-FYYLOGMGSA-N 1 1 498.653 1.642 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001507661847 1072751197 /nfs/dbraw/zinc/75/11/97/1072751197.db2.gz KVLXSNONROWULW-DEOSSOPVSA-N 1 1 453.543 1.500 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507661755 1072751298 /nfs/dbraw/zinc/75/12/98/1072751298.db2.gz HGANCJZXFOYBGB-UHFFFAOYSA-N 1 1 472.391 1.663 20 30 JDEDMO C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001507668310 1072753945 /nfs/dbraw/zinc/75/39/45/1072753945.db2.gz AKEGCZKPWDCWKT-UHFFFAOYSA-N 1 1 464.570 1.589 20 30 JDEDMO C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001507669689 1072754532 /nfs/dbraw/zinc/75/45/32/1072754532.db2.gz PNUFNSSORWAKQT-CPJSRVTESA-N 1 1 470.618 1.922 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001507688485 1072760118 /nfs/dbraw/zinc/76/01/18/1072760118.db2.gz BMJDVZYEJWBTAB-PMACEKPBSA-N 1 1 466.652 1.439 20 30 JDEDMO C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001507688465 1072760246 /nfs/dbraw/zinc/76/02/46/1072760246.db2.gz AVJDBTSRYWYLTQ-HBMCJLEFSA-N 1 1 480.679 1.829 20 30 JDEDMO C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001507688467 1072760361 /nfs/dbraw/zinc/76/03/61/1072760361.db2.gz AVJDBTSRYWYLTQ-QHAWAJNXSA-N 1 1 480.679 1.829 20 30 JDEDMO C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001507710915 1072769630 /nfs/dbraw/zinc/76/96/30/1072769630.db2.gz MILZGXRLWYKSJW-UXHICEINSA-N 1 1 451.637 1.634 20 30 JDEDMO C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001507711271 1072770780 /nfs/dbraw/zinc/77/07/80/1072770780.db2.gz SFWWGVINAUBCFU-QFIPXVFZSA-N 1 1 487.626 1.147 20 30 JDEDMO C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001507715788 1072774387 /nfs/dbraw/zinc/77/43/87/1072774387.db2.gz CZGGPGLOEUIPMF-RUZDIDTESA-N 1 1 474.569 1.366 20 30 JDEDMO C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC001507716955 1072775691 /nfs/dbraw/zinc/77/56/91/1072775691.db2.gz XGNWHEMALCVEJE-UHFFFAOYSA-N 1 1 457.623 1.207 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001507717410 1072776830 /nfs/dbraw/zinc/77/68/30/1072776830.db2.gz BQVFYUZTUNFTKN-NRFANRHFSA-N 1 1 459.392 1.529 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)CCCC)CC1 ZINC001507721315 1072784752 /nfs/dbraw/zinc/78/47/52/1072784752.db2.gz ROAGBZXGYFFFGI-UHFFFAOYSA-N 1 1 458.632 1.836 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001507721553 1072785662 /nfs/dbraw/zinc/78/56/62/1072785662.db2.gz VXVWLZHTPCOEPK-HXUWFJFHSA-N 1 1 470.643 1.836 20 30 JDEDMO C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001507722736 1072789985 /nfs/dbraw/zinc/78/99/85/1072789985.db2.gz GVIWBLZTDCMCFH-NRFANRHFSA-N 1 1 481.645 1.744 20 30 JDEDMO C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001507727495 1072796290 /nfs/dbraw/zinc/79/62/90/1072796290.db2.gz PUVMAXMXWZOVRX-UHFFFAOYSA-N 1 1 471.631 1.136 20 30 JDEDMO C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001507727495 1072796308 /nfs/dbraw/zinc/79/63/08/1072796308.db2.gz PUVMAXMXWZOVRX-UHFFFAOYSA-N 1 1 471.631 1.136 20 30 JDEDMO C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001507728112 1072796969 /nfs/dbraw/zinc/79/69/69/1072796969.db2.gz OUPWXSYZEPGPCT-NRFANRHFSA-N 1 1 484.674 1.332 20 30 JDEDMO C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001507730909 1072799676 /nfs/dbraw/zinc/79/96/76/1072799676.db2.gz YQAUDFJPRVDJET-LEWJYISDSA-N 1 1 487.649 1.826 20 30 JDEDMO C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001507731390 1072800494 /nfs/dbraw/zinc/80/04/94/1072800494.db2.gz HEPVAWSRFRJWJR-NLFFAJNJSA-N 1 1 487.649 1.214 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001507733571 1072802835 /nfs/dbraw/zinc/80/28/35/1072802835.db2.gz DCTDYVMMOZTXRO-NRFANRHFSA-N 1 1 483.661 1.992 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001507733709 1072803089 /nfs/dbraw/zinc/80/30/89/1072803089.db2.gz JCHUKBDXTPTQIA-HXUWFJFHSA-N 1 1 455.607 1.354 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001507733773 1072803098 /nfs/dbraw/zinc/80/30/98/1072803098.db2.gz LYLPQSDCBPLZQQ-UHFFFAOYSA-N 1 1 495.603 1.751 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001507735236 1072804919 /nfs/dbraw/zinc/80/49/19/1072804919.db2.gz PEUURPCDKGGDBH-UHFFFAOYSA-N 1 1 491.640 1.637 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001507735528 1072805406 /nfs/dbraw/zinc/80/54/06/1072805406.db2.gz XNVDJUDHFLNUSA-SANMLTNESA-N 1 1 496.612 1.385 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001507738017 1072810306 /nfs/dbraw/zinc/81/03/06/1072810306.db2.gz FRUDHZRHZONHTK-UNMCSNQZSA-N 1 1 472.634 1.986 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001507738415 1072810710 /nfs/dbraw/zinc/81/07/10/1072810710.db2.gz OMRCPYVRXBPFKB-HXUWFJFHSA-N 1 1 450.591 1.965 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001507739428 1072813377 /nfs/dbraw/zinc/81/33/77/1072813377.db2.gz BHJSFSBSYRVIMH-UHFFFAOYSA-N 1 1 495.676 1.133 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001507740076 1072815276 /nfs/dbraw/zinc/81/52/76/1072815276.db2.gz NVGQDDKDNWBWTL-UHFFFAOYSA-N 1 1 465.602 1.341 20 30 JDEDMO C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507741420 1072818621 /nfs/dbraw/zinc/81/86/21/1072818621.db2.gz SFOSEUUPQIKEPZ-CTNGQTDRSA-N 1 1 487.674 1.259 20 30 JDEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCOCC2)CC1 ZINC001507742277 1072819727 /nfs/dbraw/zinc/81/97/27/1072819727.db2.gz FLBMFNNANZHACZ-UHFFFAOYSA-N 1 1 464.614 1.865 20 30 JDEDMO C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507751072 1072823302 /nfs/dbraw/zinc/82/33/02/1072823302.db2.gz JRRMVEVOFWJLMX-NRSPTQNISA-N 1 1 460.648 1.527 20 30 JDEDMO C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001507753046 1072825706 /nfs/dbraw/zinc/82/57/06/1072825706.db2.gz HXIYFZOOOPACDW-LJQANCHMSA-N 1 1 487.699 1.852 20 30 JDEDMO C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001507756016 1072826059 /nfs/dbraw/zinc/82/60/59/1072826059.db2.gz KLMOGTKCQROSFT-FQEVSTJZSA-N 1 1 453.616 1.373 20 30 JDEDMO C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001507759426 1072826847 /nfs/dbraw/zinc/82/68/47/1072826847.db2.gz HGKIGOXZTFBOKR-UNMCSNQZSA-N 1 1 490.674 1.503 20 30 JDEDMO C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001507759426 1072826848 /nfs/dbraw/zinc/82/68/48/1072826848.db2.gz HGKIGOXZTFBOKR-UNMCSNQZSA-N 1 1 490.674 1.503 20 30 JDEDMO C#CCSCCn1c(N2CC[C@](C)([NH+]3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001507759091 1072826885 /nfs/dbraw/zinc/82/68/85/1072826885.db2.gz ZQBNRCDNAJFEOP-XZOQPEGZSA-N 1 1 463.648 1.986 20 30 JDEDMO C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001507775456 1072830817 /nfs/dbraw/zinc/83/08/17/1072830817.db2.gz NMNSOYJDFPZHRE-HOCLYGCPSA-N 1 1 476.379 1.991 20 30 JDEDMO C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001507783852 1072833088 /nfs/dbraw/zinc/83/30/88/1072833088.db2.gz XMJPBHGPBLTVHT-INIZCTEOSA-N 1 1 461.368 1.387 20 30 JDEDMO C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001507784512 1072833427 /nfs/dbraw/zinc/83/34/27/1072833427.db2.gz KVZJNTPHJXZQBZ-KRWDZBQOSA-N 1 1 467.412 1.825 20 30 JDEDMO C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001507784512 1072833429 /nfs/dbraw/zinc/83/34/29/1072833429.db2.gz KVZJNTPHJXZQBZ-KRWDZBQOSA-N 1 1 467.412 1.825 20 30 JDEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001507790768 1072835065 /nfs/dbraw/zinc/83/50/65/1072835065.db2.gz DAJGLGVHFXSJCQ-HKBOAZHASA-N 1 1 460.623 1.946 20 30 JDEDMO C=C(Br)Cn1c(N2CC[N@@H+]3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001507792220 1072835913 /nfs/dbraw/zinc/83/59/13/1072835913.db2.gz XQIBXVWRMHVZKC-LPHOPBHVSA-N 1 1 456.385 1.748 20 30 JDEDMO C=C(Br)Cn1c(N2CC[N@H+]3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001507792220 1072835917 /nfs/dbraw/zinc/83/59/17/1072835917.db2.gz XQIBXVWRMHVZKC-LPHOPBHVSA-N 1 1 456.385 1.748 20 30 JDEDMO C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001507824771 1072843776 /nfs/dbraw/zinc/84/37/76/1072843776.db2.gz IGUSYXKRFVMUEQ-MRXNPFEDSA-N 1 1 450.613 1.137 20 30 JDEDMO C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001507830690 1072844967 /nfs/dbraw/zinc/84/49/67/1072844967.db2.gz QWVJZPFETKCHEP-NRFANRHFSA-N 1 1 485.614 1.381 20 30 JDEDMO C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001507841443 1072847045 /nfs/dbraw/zinc/84/70/45/1072847045.db2.gz ZZJLQOQQUMXTLS-SIKLNZKXSA-N 1 1 453.591 1.922 20 30 JDEDMO C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001507844973 1072848579 /nfs/dbraw/zinc/84/85/79/1072848579.db2.gz UIWQAVHKSOKGCE-HXUWFJFHSA-N 1 1 467.636 1.322 20 30 JDEDMO C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001507871184 1072852702 /nfs/dbraw/zinc/85/27/02/1072852702.db2.gz SWWFFRMYYMXNRW-UHFFFAOYSA-N 1 1 478.041 1.924 20 30 JDEDMO C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](CC)CCC)CC1 ZINC001507903704 1072855246 /nfs/dbraw/zinc/85/52/46/1072855246.db2.gz UCVPPAXPKGCOPU-LJQANCHMSA-N 1 1 454.641 1.745 20 30 JDEDMO C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)c1ccccc1 ZINC001507924297 1072856834 /nfs/dbraw/zinc/85/68/34/1072856834.db2.gz LDGBPLQTNJGLOD-NRSPTQNISA-N 1 1 474.631 1.769 20 30 JDEDMO C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)c1ccccc1 ZINC001507924297 1072856835 /nfs/dbraw/zinc/85/68/35/1072856835.db2.gz LDGBPLQTNJGLOD-NRSPTQNISA-N 1 1 474.631 1.769 20 30 JDEDMO C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001507935478 1072857847 /nfs/dbraw/zinc/85/78/47/1072857847.db2.gz QINRQBLQHICJHQ-OTWHNJEPSA-N 1 1 454.641 1.886 20 30 JDEDMO C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001507959527 1072860745 /nfs/dbraw/zinc/86/07/45/1072860745.db2.gz DRZYQHKPQDNBAA-SIKLNZKXSA-N 1 1 470.622 1.650 20 30 JDEDMO C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC001507992902 1072864471 /nfs/dbraw/zinc/86/44/71/1072864471.db2.gz KUKBXQSZASZRQR-HKUYNNGSSA-N 1 1 464.636 1.278 20 30 JDEDMO C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC001507992902 1072864473 /nfs/dbraw/zinc/86/44/73/1072864473.db2.gz KUKBXQSZASZRQR-HKUYNNGSSA-N 1 1 464.636 1.278 20 30 JDEDMO C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC001507993195 1072864480 /nfs/dbraw/zinc/86/44/80/1072864480.db2.gz OUNKAMQKSLGASH-MBSDFSHPSA-N 1 1 462.595 1.808 20 30 JDEDMO C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001508059213 1072871102 /nfs/dbraw/zinc/87/11/02/1072871102.db2.gz QWHGFYGLIRJAOB-UYAOXDASSA-N 1 1 460.604 1.508 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001508075077 1072876245 /nfs/dbraw/zinc/87/62/45/1072876245.db2.gz SPAMPDQENKYVFC-OAHLLOKOSA-N 1 1 478.395 1.496 20 30 JDEDMO C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001508085323 1072882269 /nfs/dbraw/zinc/88/22/69/1072882269.db2.gz UARRMSGRRWHJJH-LJQANCHMSA-N 1 1 458.636 1.152 20 30 JDEDMO C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001508087150 1072883389 /nfs/dbraw/zinc/88/33/89/1072883389.db2.gz NTTFWQLCZPRIBO-SFHVURJKSA-N 1 1 494.600 1.134 20 30 JDEDMO C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001508092739 1072888131 /nfs/dbraw/zinc/88/81/31/1072888131.db2.gz QVZWMMYBWNUIDD-HXUWFJFHSA-N 1 1 454.575 1.626 20 30 JDEDMO C=CCNC(=O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001508097317 1072892133 /nfs/dbraw/zinc/89/21/33/1072892133.db2.gz HQPJVCLEVNXEIT-HDICACEKSA-N 1 1 477.610 1.119 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508109487 1072896516 /nfs/dbraw/zinc/89/65/16/1072896516.db2.gz SJGZSFFPQQWYEK-WOJBJXKFSA-N 1 1 473.622 1.238 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508116696 1072897573 /nfs/dbraw/zinc/89/75/73/1072897573.db2.gz IHCSXMKYQUWQBQ-UYAOXDASSA-N 1 1 454.579 1.459 20 30 JDEDMO C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508116693 1072897633 /nfs/dbraw/zinc/89/76/33/1072897633.db2.gz IHCSXMKYQUWQBQ-AZUAARDMSA-N 1 1 454.579 1.459 20 30 JDEDMO C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001508117424 1072898010 /nfs/dbraw/zinc/89/80/10/1072898010.db2.gz NVFSDVQABYCNKC-AVRDEDQJSA-N 1 1 461.588 1.197 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001508125545 1072900264 /nfs/dbraw/zinc/90/02/64/1072900264.db2.gz PJCXBGMDWRIVPV-NJDAHSKKSA-N 1 1 496.678 1.657 20 30 JDEDMO C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001508127664 1072900872 /nfs/dbraw/zinc/90/08/72/1072900872.db2.gz WCLOWAZOAPBYFW-NHCUHLMSSA-N 1 1 496.678 1.657 20 30 JDEDMO C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001508129475 1072902150 /nfs/dbraw/zinc/90/21/50/1072902150.db2.gz CMIAGPLEFGGOTQ-GOSISDBHSA-N 1 1 487.630 1.837 20 30 JDEDMO C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001508141289 1072916281 /nfs/dbraw/zinc/91/62/81/1072916281.db2.gz MFFISFHPGBHQJK-SFHVURJKSA-N 1 1 450.609 1.285 20 30 JDEDMO C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001508148016 1072927255 /nfs/dbraw/zinc/92/72/55/1072927255.db2.gz PDEHNWYBXPLRNZ-SFHVURJKSA-N 1 1 484.630 1.587 20 30 JDEDMO C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001508160579 1072931737 /nfs/dbraw/zinc/93/17/37/1072931737.db2.gz GYVGJOLIRWYNMV-QZTJIDSGSA-N 1 1 469.677 1.789 20 30 JDEDMO C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001508160579 1072931746 /nfs/dbraw/zinc/93/17/46/1072931746.db2.gz GYVGJOLIRWYNMV-QZTJIDSGSA-N 1 1 469.677 1.789 20 30 JDEDMO C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001508160717 1072931846 /nfs/dbraw/zinc/93/18/46/1072931846.db2.gz HYNFWBNEUMWYQO-KSZLIROESA-N 1 1 472.681 1.449 20 30 JDEDMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001508184767 1072948358 /nfs/dbraw/zinc/94/83/58/1072948358.db2.gz CQDBKPZRQMWROF-NQIIRXRSSA-N 1 1 451.575 1.842 20 30 JDEDMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001508184767 1072948374 /nfs/dbraw/zinc/94/83/74/1072948374.db2.gz CQDBKPZRQMWROF-NQIIRXRSSA-N 1 1 451.575 1.842 20 30 JDEDMO CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001508218584 1072982054 /nfs/dbraw/zinc/98/20/54/1072982054.db2.gz AXUDODGDXHKZMQ-UHFFFAOYSA-N 1 1 451.575 1.986 20 30 JDEDMO CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001508218584 1072982064 /nfs/dbraw/zinc/98/20/64/1072982064.db2.gz AXUDODGDXHKZMQ-UHFFFAOYSA-N 1 1 451.575 1.986 20 30 JDEDMO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001508231717 1072996523 /nfs/dbraw/zinc/99/65/23/1072996523.db2.gz IABOJYLVRWHBRW-XMSQKQJNSA-N 1 1 499.641 1.240 20 30 JDEDMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001508231717 1072996529 /nfs/dbraw/zinc/99/65/29/1072996529.db2.gz IABOJYLVRWHBRW-XMSQKQJNSA-N 1 1 499.641 1.240 20 30 JDEDMO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001508231715 1072996858 /nfs/dbraw/zinc/99/68/58/1072996858.db2.gz IABOJYLVRWHBRW-PGRDOPGGSA-N 1 1 499.641 1.240 20 30 JDEDMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001508231715 1072996867 /nfs/dbraw/zinc/99/68/67/1072996867.db2.gz IABOJYLVRWHBRW-PGRDOPGGSA-N 1 1 499.641 1.240 20 30 JDEDMO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001508259021 1073027974 /nfs/dbraw/zinc/02/79/74/1073027974.db2.gz INMDZFOKEQVZRW-VQTJNVASSA-N 1 1 481.601 1.754 20 30 JDEDMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001508277311 1073050853 /nfs/dbraw/zinc/05/08/53/1073050853.db2.gz PAQTZIDCVJILTK-UHFFFAOYSA-N 1 1 466.590 1.332 20 30 JDEDMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@@H]2C)CC1 ZINC001508278074 1073052577 /nfs/dbraw/zinc/05/25/77/1073052577.db2.gz ZYYSLIYLGQWWBQ-PGRDOPGGSA-N 1 1 465.602 1.967 20 30 JDEDMO CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001508389837 1073199189 /nfs/dbraw/zinc/19/91/89/1073199189.db2.gz PENHQSTWIJPKMK-XMMPIXPASA-N 1 1 494.644 1.574 20 30 JDEDMO C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001508428403 1073222604 /nfs/dbraw/zinc/22/26/04/1073222604.db2.gz VEEXFVPVMQFXSC-BWKNWUBXSA-N 1 1 466.634 1.305 20 30 JDEDMO C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001508428403 1073222614 /nfs/dbraw/zinc/22/26/14/1073222614.db2.gz VEEXFVPVMQFXSC-BWKNWUBXSA-N 1 1 466.634 1.305 20 30 JDEDMO CC(C)(O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001508723525 1073351473 /nfs/dbraw/zinc/35/14/73/1073351473.db2.gz OYQXZQJTYWOHSE-FQEVSTJZSA-N 1 1 451.575 1.974 20 30 JDEDMO CC(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001508772229 1073366158 /nfs/dbraw/zinc/36/61/58/1073366158.db2.gz GLOQENXVAPVWBV-UHFFFAOYSA-N 1 1 481.601 1.756 20 30 JDEDMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)N(C)C ZINC001508989261 1073462934 /nfs/dbraw/zinc/46/29/34/1073462934.db2.gz LWEQFGXKJBAEPN-UHFFFAOYSA-N 1 1 459.620 1.877 20 30 JDEDMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCNC(=O)C1N=CC=CC1=O ZINC001509003554 1073472358 /nfs/dbraw/zinc/47/23/58/1073472358.db2.gz RHCGLOXTPORBIF-MBOBHEEDSA-N 1 1 457.579 1.617 20 30 JDEDMO CC(C)Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001509188180 1073522464 /nfs/dbraw/zinc/52/24/64/1073522464.db2.gz ZCOGBQWXKWWHAO-OAQYLSRUSA-N 1 1 480.617 1.954 20 30 JDEDMO CC(C)Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001509188180 1073522480 /nfs/dbraw/zinc/52/24/80/1073522480.db2.gz ZCOGBQWXKWWHAO-OAQYLSRUSA-N 1 1 480.617 1.954 20 30 JDEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001509406939 1073586106 /nfs/dbraw/zinc/58/61/06/1073586106.db2.gz IGKOXVMMXSPHAU-FHWLQOOXSA-N 1 1 450.609 1.277 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 ZINC001509429811 1073605754 /nfs/dbraw/zinc/60/57/54/1073605754.db2.gz AGPHKGPWHOLKBI-OAQYLSRUSA-N 1 1 495.632 1.366 20 30 JDEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001509443292 1073625296 /nfs/dbraw/zinc/62/52/96/1073625296.db2.gz ZOCMHJCXJRWHHD-BWKNWUBXSA-N 1 1 481.601 1.787 20 30 JDEDMO CC(C)COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509451853 1073635635 /nfs/dbraw/zinc/63/56/35/1073635635.db2.gz QUECTCRDAGKZKJ-RUZDIDTESA-N 1 1 497.600 1.710 20 30 JDEDMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001509510302 1073656654 /nfs/dbraw/zinc/65/66/54/1073656654.db2.gz AVMPQUJWMJVOSB-IBGZPJMESA-N 1 1 451.579 1.553 20 30 JDEDMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001509510319 1073657316 /nfs/dbraw/zinc/65/73/16/1073657316.db2.gz AVMPQUJWMJVOSB-LJQANCHMSA-N 1 1 451.579 1.553 20 30 JDEDMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 ZINC001509513028 1073658538 /nfs/dbraw/zinc/65/85/38/1073658538.db2.gz PAXBHSYZMFRMTJ-SFTDATJTSA-N 1 1 472.615 1.797 20 30 JDEDMO CC(C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001509518170 1073661200 /nfs/dbraw/zinc/66/12/00/1073661200.db2.gz CPZJIQVOKCZWFT-UHFFFAOYSA-N 1 1 451.579 1.448 20 30 JDEDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccn3C)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001509555442 1073680366 /nfs/dbraw/zinc/68/03/66/1073680366.db2.gz CBBHWICCXQJZQB-XDOYNYLZSA-N 1 1 452.563 1.731 20 30 JDEDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)CC2)C1 ZINC001164872734 721280410 /nfs/dbraw/zinc/28/04/10/721280410.db2.gz FDPVDQIUVDAMKJ-UHFFFAOYSA-N 1 1 456.591 1.945 20 30 JDEDMO