smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 ZINC001476309003 1069679873 /nfs/dbraw/zinc/67/98/73/1069679873.db2.gz LOLKGDGUOWBXHA-UHFFFAOYSA-N 0 3 451.593 1.545 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 ZINC001501901341 1069767376 /nfs/dbraw/zinc/76/73/76/1069767376.db2.gz MDBCBKKKNTVZDH-UHFFFAOYSA-N 0 3 478.601 1.333 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001501901706 1069768250 /nfs/dbraw/zinc/76/82/50/1069768250.db2.gz WLQUUFIAGWZPNX-NRFANRHFSA-N 0 3 492.628 1.722 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 ZINC001501909647 1069798756 /nfs/dbraw/zinc/79/87/56/1069798756.db2.gz DVPUIRINHAGOAE-JOCHJYFZSA-N 0 3 481.601 1.898 20 30 JDEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001502250081 1069932546 /nfs/dbraw/zinc/93/25/46/1069932546.db2.gz TXPVMIXBHREBDB-ROUUACIJSA-N 0 3 460.604 1.797 20 30 JDEDHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001502292383 1070034179 /nfs/dbraw/zinc/03/41/79/1070034179.db2.gz QKTCFCFSIOGQPX-LJQANCHMSA-N 0 3 482.637 1.531 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502310603 1070075050 /nfs/dbraw/zinc/07/50/50/1070075050.db2.gz CKIWBIQETHSZFF-WMZHIEFXSA-N 0 3 480.617 1.184 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502311062 1070076617 /nfs/dbraw/zinc/07/66/17/1070076617.db2.gz LSWKGAXQQIDGNF-PXNSSMCTSA-N 0 3 454.535 1.608 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502311666 1070080367 /nfs/dbraw/zinc/08/03/67/1070080367.db2.gz XGDRTZCUKNBCIB-RTBURBONSA-N 0 3 450.591 1.510 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502311663 1070081417 /nfs/dbraw/zinc/08/14/17/1070081417.db2.gz XGDRTZCUKNBCIB-MOPGFXCFSA-N 0 3 450.591 1.510 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001502312244 1070083051 /nfs/dbraw/zinc/08/30/51/1070083051.db2.gz IWIZAWQOIZIFMH-WIYYLYMNSA-N 0 3 450.591 1.763 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001502312241 1070083801 /nfs/dbraw/zinc/08/38/01/1070083801.db2.gz IWIZAWQOIZIFMH-GHTZIAJQSA-N 0 3 450.591 1.763 20 30 JDEDHN CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001502334857 1070190602 /nfs/dbraw/zinc/19/06/02/1070190602.db2.gz TXOZLMWSJYNQKD-OAQYLSRUSA-N 0 3 450.591 1.511 20 30 JDEDHN CCN1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001502338769 1070215801 /nfs/dbraw/zinc/21/58/01/1070215801.db2.gz ZPPPIMWPTVCMNO-FDDCHVKYSA-N 0 3 469.569 1.641 20 30 JDEDHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502347116 1070260879 /nfs/dbraw/zinc/26/08/79/1070260879.db2.gz UXBPMIAOXPUXNF-HXUWFJFHSA-N 0 3 494.644 1.704 20 30 JDEDHN CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)Cc2ccc(F)cc2)CCOC1 ZINC001502729003 1070839457 /nfs/dbraw/zinc/83/94/57/1070839457.db2.gz KRRULSISQFARSV-OFNKIYASSA-N 0 3 458.538 1.930 20 30 JDEDHN COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001504581050 1071405428 /nfs/dbraw/zinc/40/54/28/1071405428.db2.gz OXGLJRQGOYYLTG-OAQYLSRUSA-N 0 3 467.574 1.223 20 30 JDEDHN COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504610581 1071469027 /nfs/dbraw/zinc/46/90/27/1071469027.db2.gz CSPFNFZNNVLKSW-FQEVSTJZSA-N 0 3 485.564 1.458 20 30 JDEDHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001503360208 1071572998 /nfs/dbraw/zinc/57/29/98/1071572998.db2.gz PFGAVEOJBBRAGT-DVECYGJZSA-N 0 3 470.622 1.587 20 30 JDEDHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001503361198 1071575789 /nfs/dbraw/zinc/57/57/89/1071575789.db2.gz SYEUGIYEZBNUAJ-GAJHUEQPSA-N 0 3 483.552 1.310 20 30 JDEDHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001503360720 1071574149 /nfs/dbraw/zinc/57/41/49/1071574149.db2.gz QZQCKRRPDYEPRV-BSRJHKFKSA-N 0 3 456.595 1.302 20 30 JDEDHN COCCN(C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 ZINC001504859135 1071787153 /nfs/dbraw/zinc/78/71/53/1071787153.db2.gz TWWMOWOWHRSDJB-SFHVURJKSA-N 0 3 479.379 1.927 20 30 JDEDHN CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CCCO ZINC001503478179 1071798226 /nfs/dbraw/zinc/79/82/26/1071798226.db2.gz XSUHUKQCSAKPMB-NRFANRHFSA-N 0 3 451.575 1.869 20 30 JDEDHN COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 ZINC001504941901 1071984834 /nfs/dbraw/zinc/98/48/34/1071984834.db2.gz BWDIKQUCYGANND-YCRNBWNJSA-N 0 3 499.616 1.894 20 30 JDEDHN COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 ZINC001504941885 1071984986 /nfs/dbraw/zinc/98/49/86/1071984986.db2.gz BWDIKQUCYGANND-DNVFCKCGSA-N 0 3 499.616 1.894 20 30 JDEDHN COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 ZINC001504941897 1071985124 /nfs/dbraw/zinc/98/51/24/1071985124.db2.gz BWDIKQUCYGANND-PWHSHALESA-N 0 3 499.616 1.894 20 30 JDEDHN CN1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1(C)C ZINC001503685853 1072018100 /nfs/dbraw/zinc/01/81/00/1072018100.db2.gz YLUIGGUHOZGVAA-UHFFFAOYSA-N 0 3 485.658 1.856 20 30 JDEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001466133194 1067863575 /nfs/dbraw/zinc/86/35/75/1067863575.db2.gz SBSKSGFMAHJMBE-UCNVEGJOSA-N 0 3 456.568 1.224 20 30 JDEDHN C#CCN(C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCN(C)CC1 ZINC001471320265 1068853841 /nfs/dbraw/zinc/85/38/41/1068853841.db2.gz OYXGHVJKONVWMN-SFHVURJKSA-N 0 3 456.609 1.150 20 30 JDEDHN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC001472593595 1069036326 /nfs/dbraw/zinc/03/63/26/1069036326.db2.gz FDIMXDVBGOHYQE-FCHUYYIVSA-N 0 3 454.552 1.338 20 30 JDEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCN(C(=O)CN3CCCC3)CC2)c1C#N ZINC001473149844 1069082615 /nfs/dbraw/zinc/08/26/15/1069082615.db2.gz UUDIXTGCNPIQEX-UHFFFAOYSA-N 0 3 452.559 1.796 20 30 JDEDHN N#Cc1ccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001505317016 1072481910 /nfs/dbraw/zinc/48/19/10/1072481910.db2.gz MZEVLNFRJHYMDF-UHFFFAOYSA-N 0 3 477.491 1.796 20 30 JDEDHN C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001507554328 1072616793 /nfs/dbraw/zinc/61/67/93/1072616793.db2.gz PGYFBKNBLGRLQP-UHFFFAOYSA-N 0 3 464.574 1.473 20 30 JDEDHN C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001507558920 1072618767 /nfs/dbraw/zinc/61/87/67/1072618767.db2.gz ZHVLIEYPZUVUAU-DYXWJJEUSA-N 0 3 493.678 1.071 20 30 JDEDHN C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001507558925 1072619506 /nfs/dbraw/zinc/61/95/06/1072619506.db2.gz ZHVLIEYPZUVUAU-IRFCIJBXSA-N 0 3 493.678 1.071 20 30 JDEDHN C#CCCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001507576624 1072629579 /nfs/dbraw/zinc/62/95/79/1072629579.db2.gz YTTQWKXTSJGXCD-YKSBVNFPSA-N 0 3 458.607 1.477 20 30 JDEDHN C#CCCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001507598092 1072636828 /nfs/dbraw/zinc/63/68/28/1072636828.db2.gz ARSOKUWZJYNWOC-DEOSSOPVSA-N 0 3 458.607 1.477 20 30 JDEDHN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001507616110 1072640367 /nfs/dbraw/zinc/64/03/67/1072640367.db2.gz GJBFVMGRHLBOOI-ZWKOTPCHSA-N 0 3 478.644 1.579 20 30 JDEDHN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507623118 1072650262 /nfs/dbraw/zinc/65/02/62/1072650262.db2.gz RTKFUQDZOHPOKG-PMACEKPBSA-N 0 3 478.663 1.411 20 30 JDEDHN C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507625324 1072658120 /nfs/dbraw/zinc/65/81/20/1072658120.db2.gz ICABLCRMNGMUHB-HYBUGGRVSA-N 0 3 493.674 1.820 20 30 JDEDHN C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507631823 1072690627 /nfs/dbraw/zinc/69/06/27/1072690627.db2.gz GNLZEPQKBUYSNC-PWRODBHTSA-N 0 3 463.648 1.921 20 30 JDEDHN C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507634812 1072709336 /nfs/dbraw/zinc/70/93/36/1072709336.db2.gz NLBPEUDYVFOXQC-PZJWPPBQSA-N 0 3 456.616 1.623 20 30 JDEDHN C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507634810 1072709413 /nfs/dbraw/zinc/70/94/13/1072709413.db2.gz NLBPEUDYVFOXQC-CTNGQTDRSA-N 0 3 456.616 1.623 20 30 JDEDHN C#CCN(c1nnc(CC)n1CC1(N2CCC(OC)CC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507635350 1072712652 /nfs/dbraw/zinc/71/26/52/1072712652.db2.gz VTPDSYYMKDGWDE-LJQANCHMSA-N 0 3 463.648 1.891 20 30 JDEDHN C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001507635966 1072714839 /nfs/dbraw/zinc/71/48/39/1072714839.db2.gz WRKBHXRRAFAMOV-CTNGQTDRSA-N 0 3 483.642 1.874 20 30 JDEDHN C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507639093 1072725142 /nfs/dbraw/zinc/72/51/42/1072725142.db2.gz VPWGBBNROCDGQT-HBMCJLEFSA-N 0 3 493.674 1.893 20 30 JDEDHN C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCC2)CC1 ZINC001507718428 1072779074 /nfs/dbraw/zinc/77/90/74/1072779074.db2.gz PJSGNDXQUZVKON-UHFFFAOYSA-N 0 3 456.616 1.588 20 30 JDEDHN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001507721921 1072787586 /nfs/dbraw/zinc/78/75/86/1072787586.db2.gz NDLQAPQMRRUUKZ-YLJYHZDGSA-N 0 3 477.610 1.086 20 30 JDEDHN C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001507722737 1072790270 /nfs/dbraw/zinc/79/02/70/1072790270.db2.gz GVIWBLZTDCMCFH-OAQYLSRUSA-N 0 3 481.645 1.744 20 30 JDEDHN C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001507728130 1072796857 /nfs/dbraw/zinc/79/68/57/1072796857.db2.gz OUPWXSYZEPGPCT-OAQYLSRUSA-N 0 3 484.674 1.332 20 30 JDEDHN C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001507732113 1072801316 /nfs/dbraw/zinc/80/13/16/1072801316.db2.gz IKJPLWLQTXVBCY-QFIPXVFZSA-N 0 3 497.619 1.694 20 30 JDEDHN C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCN(CC)CC2)CC1 ZINC001507732519 1072801949 /nfs/dbraw/zinc/80/19/49/1072801949.db2.gz HOFQLKGUKZQSKQ-DHIUTWEWSA-N 0 3 471.694 1.980 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001507737855 1072809543 /nfs/dbraw/zinc/80/95/43/1072809543.db2.gz GLJQTEFFXUJAHM-LEWJYISDSA-N 0 3 481.576 1.637 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001507737857 1072809619 /nfs/dbraw/zinc/80/96/19/1072809619.db2.gz GLJQTEFFXUJAHM-NHCUHLMSSA-N 0 3 481.576 1.637 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001507738474 1072810807 /nfs/dbraw/zinc/81/08/07/1072810807.db2.gz POEUXRCDJKXEJN-QHCPKHFHSA-N 0 3 490.612 1.956 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)CCOC)CC1 ZINC001507741109 1072817647 /nfs/dbraw/zinc/81/76/47/1072817647.db2.gz LJCXENQEQJFBIS-NHCUHLMSSA-N 0 3 474.650 1.741 20 30 JDEDHN C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001507741425 1072818773 /nfs/dbraw/zinc/81/87/73/1072818773.db2.gz SIYRYIQGRKKYII-UHFFFAOYSA-N 0 3 470.647 1.678 20 30 JDEDHN C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507751074 1072823376 /nfs/dbraw/zinc/82/33/76/1072823376.db2.gz JRRMVEVOFWJLMX-TYPHKJRUSA-N 0 3 460.648 1.527 20 30 JDEDHN C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001507790787 1072834981 /nfs/dbraw/zinc/83/49/81/1072834981.db2.gz DAWZUSJTVSFYBF-NHCUHLMSSA-N 0 3 460.623 1.946 20 30 JDEDHN C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001507790785 1072835038 /nfs/dbraw/zinc/83/50/38/1072835038.db2.gz DAWZUSJTVSFYBF-LEWJYISDSA-N 0 3 460.623 1.946 20 30 JDEDHN C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001507844392 1072847998 /nfs/dbraw/zinc/84/79/98/1072847998.db2.gz JIDGHPLGQNRXNH-GOSISDBHSA-N 0 3 470.640 1.124 20 30 JDEDHN C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001507846693 1072849324 /nfs/dbraw/zinc/84/93/24/1072849324.db2.gz UJMHBGIRRGQYJI-OAQYLSRUSA-N 0 3 453.591 1.599 20 30 JDEDHN C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001507847302 1072849335 /nfs/dbraw/zinc/84/93/35/1072849335.db2.gz JNMXLLLTUJLIGK-OAQYLSRUSA-N 0 3 459.639 1.598 20 30 JDEDHN C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001507915538 1072855790 /nfs/dbraw/zinc/85/57/90/1072855790.db2.gz CEUWQSMXTUEPOO-IBGZPJMESA-N 0 3 478.663 1.527 20 30 JDEDHN C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001507925592 1072857216 /nfs/dbraw/zinc/85/72/16/1072857216.db2.gz ILURGSQZEXXGIO-ZWKOTPCHSA-N 0 3 454.641 1.934 20 30 JDEDHN C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001507935480 1072857892 /nfs/dbraw/zinc/85/78/92/1072857892.db2.gz QINRQBLQHICJHQ-QRVBRYPASA-N 0 3 454.641 1.886 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001508079097 1072878891 /nfs/dbraw/zinc/87/88/91/1072878891.db2.gz NYWNOUQVPJLLJS-UHFFFAOYSA-N 0 3 484.601 1.956 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001508080201 1072879967 /nfs/dbraw/zinc/87/99/67/1072879967.db2.gz MBOBGHAFDXZLNH-UHFFFAOYSA-N 0 3 492.628 1.729 20 30 JDEDHN C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001508085279 1072882337 /nfs/dbraw/zinc/88/23/37/1072882337.db2.gz GMFGMYZBWSZQQC-QFIPXVFZSA-N 0 3 451.619 1.696 20 30 JDEDHN C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001508085273 1072882349 /nfs/dbraw/zinc/88/23/49/1072882349.db2.gz GJQNPBINIBZFAI-SFHVURJKSA-N 0 3 456.566 2.000 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001508089293 1072884883 /nfs/dbraw/zinc/88/48/83/1072884883.db2.gz WUYDPATUEDXSGA-UHFFFAOYSA-N 0 3 464.574 1.415 20 30 JDEDHN C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508116695 1072897512 /nfs/dbraw/zinc/89/75/12/1072897512.db2.gz IHCSXMKYQUWQBQ-QUCCMNQESA-N 0 3 454.579 1.459 20 30 JDEDHN C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508144830 1072923042 /nfs/dbraw/zinc/92/30/42/1072923042.db2.gz HXAFHVAAWWWHAJ-UHFFFAOYSA-N 0 3 466.652 1.212 20 30 JDEDHN CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508738851 1073355482 /nfs/dbraw/zinc/35/54/82/1073355482.db2.gz QGRYLPBHXYGADN-UHFFFAOYSA-N 0 3 481.601 1.634 20 30 JDEDHN CC(C)Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001509262105 1073551001 /nfs/dbraw/zinc/55/10/01/1073551001.db2.gz ULXIZDAICYQREX-VEGAHXMMSA-N 0 3 457.579 1.162 20 30 JDEDHN CC(C)N1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)CC1 ZINC001509582982 1073709205 /nfs/dbraw/zinc/70/92/05/1073709205.db2.gz XNQSCLMLPIURSA-NRFANRHFSA-N 0 3 471.631 1.466 20 30 JDEDHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001164707452 719874636 /nfs/dbraw/zinc/87/46/36/719874636.db2.gz STGFQEUWIDJIDS-MFEFFIJZSA-N 0 3 459.547 1.658 20 30 JDEDHN CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001501407078 1069512756 /nfs/dbraw/zinc/51/27/56/1069512756.db2.gz NGIFZZGDQBSGSP-UHFFFAOYSA-N 0 3 464.574 1.039 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 ZINC001501901113 1069762004 /nfs/dbraw/zinc/76/20/04/1069762004.db2.gz DSSXQCOMHSSPCR-NRFANRHFSA-N 0 3 451.575 1.986 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 ZINC001501901038 1069762267 /nfs/dbraw/zinc/76/22/67/1069762267.db2.gz BELMFXALSMSANX-UHFFFAOYSA-N 0 3 466.590 1.332 20 30 JDEDHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001501983017 1069811968 /nfs/dbraw/zinc/81/19/68/1069811968.db2.gz VOPMWRJBMSRSIX-QUCCMNQESA-N 0 3 486.646 1.504 20 30 JDEDHN CN1CCN(Cc2cccc(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2)CC1 ZINC001477771649 1069855514 /nfs/dbraw/zinc/85/55/14/1069855514.db2.gz IOAQYZMXHXMWKK-NHCUHLMSSA-N 0 3 456.591 1.992 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310482 1070074052 /nfs/dbraw/zinc/07/40/52/1070074052.db2.gz AFDYRRSWRKFQAX-NQIIRXRSSA-N 0 3 450.591 1.544 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502310760 1070075507 /nfs/dbraw/zinc/07/55/07/1070075507.db2.gz FXNKIVRURNDMGD-HXUWFJFHSA-N 0 3 480.617 1.138 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502311665 1070080771 /nfs/dbraw/zinc/08/07/71/1070080771.db2.gz XGDRTZCUKNBCIB-RBUKOAKNSA-N 0 3 450.591 1.510 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502311664 1070081296 /nfs/dbraw/zinc/08/12/96/1070081296.db2.gz XGDRTZCUKNBCIB-OALUTQOASA-N 0 3 450.591 1.510 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502314471 1070093463 /nfs/dbraw/zinc/09/34/63/1070093463.db2.gz WCRBGKCAOYIOHH-ROUUACIJSA-N 0 3 459.545 1.902 20 30 JDEDHN CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)Cc2ccc(F)cc2)CCOC1 ZINC001502728999 1070839050 /nfs/dbraw/zinc/83/90/50/1070839050.db2.gz KRRULSISQFARSV-NFBKMPQASA-N 0 3 458.538 1.930 20 30 JDEDHN COC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC ZINC001504586145 1071417861 /nfs/dbraw/zinc/41/78/61/1071417861.db2.gz XVYMUPMEVTXNOE-QFIPXVFZSA-N 0 3 464.574 1.924 20 30 JDEDHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001503360211 1071573034 /nfs/dbraw/zinc/57/30/34/1071573034.db2.gz PFGAVEOJBBRAGT-NTKDMRAZSA-N 0 3 470.622 1.587 20 30 JDEDHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 ZINC001503361203 1071575456 /nfs/dbraw/zinc/57/54/56/1071575456.db2.gz SYEUGIYEZBNUAJ-SBUREZEXSA-N 0 3 483.552 1.310 20 30 JDEDHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CCC(C)(C#N)CC1 ZINC001503361688 1071578714 /nfs/dbraw/zinc/57/87/14/1071578714.db2.gz XWLCRJAPVKFLCG-LJQANCHMSA-N 0 3 451.579 1.808 20 30 JDEDHN CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503362004 1071579324 /nfs/dbraw/zinc/57/93/24/1071579324.db2.gz LQJJTXZLTYRHSL-NRFANRHFSA-N 0 3 478.601 1.428 20 30 JDEDHN CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503362005 1071579651 /nfs/dbraw/zinc/57/96/51/1071579651.db2.gz LQJJTXZLTYRHSL-OAQYLSRUSA-N 0 3 478.601 1.428 20 30 JDEDHN CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001503374654 1071613075 /nfs/dbraw/zinc/61/30/75/1071613075.db2.gz XCLHMDJNBLRBGB-UHFFFAOYSA-N 0 3 491.600 1.614 20 30 JDEDHN COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504830577 1071713935 /nfs/dbraw/zinc/71/39/35/1071713935.db2.gz ZJVGPBJMDNPOAQ-OAQYLSRUSA-N 0 3 467.574 1.508 20 30 JDEDHN CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCCC1 ZINC001503439058 1071748184 /nfs/dbraw/zinc/74/81/84/1071748184.db2.gz KFCNLYYKEFGACD-UHFFFAOYSA-N 0 3 467.574 1.510 20 30 JDEDHN COCCN(C)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001504859102 1071785841 /nfs/dbraw/zinc/78/58/41/1071785841.db2.gz SGBNVIKGJGMUIJ-LJQANCHMSA-N 0 3 467.622 1.966 20 30 JDEDHN CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001503479034 1071800062 /nfs/dbraw/zinc/80/00/62/1071800062.db2.gz SWDRBCRRBVJENH-UHFFFAOYSA-N 0 3 464.618 1.935 20 30 JDEDHN COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001504912964 1071871783 /nfs/dbraw/zinc/87/17/83/1071871783.db2.gz DOFBFLUQJNYFNV-HSZRJFAPSA-N 0 3 467.618 1.942 20 30 JDEDHN CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503635865 1071948470 /nfs/dbraw/zinc/94/84/70/1071948470.db2.gz QBAVNLKSIVRCKQ-UHFFFAOYSA-N 0 3 459.620 1.324 20 30 JDEDHN CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 ZINC001505143300 1072360126 /nfs/dbraw/zinc/36/01/26/1072360126.db2.gz MTBVZSNZASNNJG-HXUWFJFHSA-N 0 3 469.615 1.844 20 30 JDEDHN CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 ZINC001505143299 1072360153 /nfs/dbraw/zinc/36/01/53/1072360153.db2.gz MTBVZSNZASNNJG-FQEVSTJZSA-N 0 3 469.615 1.844 20 30 JDEDHN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC001468012028 1068138863 /nfs/dbraw/zinc/13/88/63/1068138863.db2.gz SOLTYOBBQOCJTH-SFHVURJKSA-N 0 3 453.634 1.316 20 30 JDEDHN C#CCN(C)CCCNC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC001468947972 1068401091 /nfs/dbraw/zinc/40/10/91/1068401091.db2.gz YCMGHKKCOFRARX-UHFFFAOYSA-N 0 3 452.577 1.111 20 30 JDEDHN C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC001470353508 1068752263 /nfs/dbraw/zinc/75/22/63/1068752263.db2.gz OHIZXOPUWOGINR-UHFFFAOYSA-N 0 3 457.394 1.420 20 30 JDEDHN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC001472538977 1069027635 /nfs/dbraw/zinc/02/76/35/1069027635.db2.gz ANMICUJQKKKKAH-SFHVURJKSA-N 0 3 459.572 1.646 20 30 JDEDHN CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CCN1CCOC ZINC001500248787 1069221624 /nfs/dbraw/zinc/22/16/24/1069221624.db2.gz CRFBFJFICGJQFZ-XUZZJYLKSA-N 0 3 454.575 1.905 20 30 JDEDHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C ZINC001505287906 1072469055 /nfs/dbraw/zinc/46/90/55/1072469055.db2.gz QPEHPHITTJCNNL-IBGZPJMESA-N 0 3 481.601 1.897 20 30 JDEDHN N#Cc1cccc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2CCOCCCO)c1 ZINC001505314017 1072480691 /nfs/dbraw/zinc/48/06/91/1072480691.db2.gz PGCYCSAUAFZRAA-UHFFFAOYSA-N 0 3 454.575 1.764 20 30 JDEDHN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001507539366 1072604546 /nfs/dbraw/zinc/60/45/46/1072604546.db2.gz VHBKMXNHPAETGF-FHWLQOOXSA-N 0 3 492.671 1.968 20 30 JDEDHN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001507539368 1072604691 /nfs/dbraw/zinc/60/46/91/1072604691.db2.gz VHBKMXNHPAETGF-IPMKNSEASA-N 0 3 492.671 1.968 20 30 JDEDHN C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001507555899 1072616629 /nfs/dbraw/zinc/61/66/29/1072616629.db2.gz BOOMYGQLVVILCQ-SFHVURJKSA-N 0 3 452.625 1.240 20 30 JDEDHN C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001507564457 1072622782 /nfs/dbraw/zinc/62/27/82/1072622782.db2.gz PTSPNUFXGOOWDY-IBGZPJMESA-N 0 3 452.625 1.193 20 30 JDEDHN C#CCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001507583023 1072631462 /nfs/dbraw/zinc/63/14/62/1072631462.db2.gz MHSIGWZVRUAKKG-UHFFFAOYSA-N 0 3 490.612 1.596 20 30 JDEDHN C#CCCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001507598093 1072636692 /nfs/dbraw/zinc/63/66/92/1072636692.db2.gz ARSOKUWZJYNWOC-XMMPIXPASA-N 0 3 458.607 1.477 20 30 JDEDHN C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507625334 1072657952 /nfs/dbraw/zinc/65/79/52/1072657952.db2.gz ICABLCRMNGMUHB-YKSBVNFPSA-N 0 3 493.674 1.820 20 30 JDEDHN C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507631336 1072687082 /nfs/dbraw/zinc/68/70/82/1072687082.db2.gz OJERJLQUFPKKNW-AZUAARDMSA-N 0 3 459.620 1.570 20 30 JDEDHN C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507631338 1072687113 /nfs/dbraw/zinc/68/71/13/1072687113.db2.gz OJERJLQUFPKKNW-ICSRJNTNSA-N 0 3 459.620 1.570 20 30 JDEDHN C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507631487 1072688216 /nfs/dbraw/zinc/68/82/16/1072688216.db2.gz QASLQRDSNFSIQX-SFHVURJKSA-N 0 3 457.604 1.484 20 30 JDEDHN C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507631820 1072690493 /nfs/dbraw/zinc/69/04/93/1072690493.db2.gz GNLZEPQKBUYSNC-HBMCJLEFSA-N 0 3 463.648 1.921 20 30 JDEDHN C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507631821 1072690673 /nfs/dbraw/zinc/69/06/73/1072690673.db2.gz GNLZEPQKBUYSNC-NJDAHSKKSA-N 0 3 463.648 1.921 20 30 JDEDHN C#CCN(c1nnc(CN2CCCC2=O)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507639977 1072729006 /nfs/dbraw/zinc/72/90/06/1072729006.db2.gz NROGIIFYTKGINY-FQEVSTJZSA-N 0 3 476.647 1.292 20 30 JDEDHN C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 ZINC001507668881 1072754507 /nfs/dbraw/zinc/75/45/07/1072754507.db2.gz DXWNYANAPNCIFW-OAQYLSRUSA-N 0 3 460.648 1.061 20 30 JDEDHN C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001507716760 1072776173 /nfs/dbraw/zinc/77/61/73/1072776173.db2.gz UJRGKBNEQYTTHL-QHCPKHFHSA-N 0 3 492.672 1.928 20 30 JDEDHN C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCN(CC)CC2)CC1 ZINC001507719280 1072781933 /nfs/dbraw/zinc/78/19/33/1072781933.db2.gz MPLCGGPCANXIRP-RUZDIDTESA-N 0 3 473.666 1.102 20 30 JDEDHN C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCN(CC)CC2)CC1 ZINC001507724747 1072792942 /nfs/dbraw/zinc/79/29/42/1072792942.db2.gz WOQFHBXBRSLENL-UHFFFAOYSA-N 0 3 465.646 1.660 20 30 JDEDHN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC001507731186 1072800124 /nfs/dbraw/zinc/80/01/24/1072800124.db2.gz CNOBMDLMKJMMDJ-HBMCJLEFSA-N 0 3 462.664 1.303 20 30 JDEDHN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001507731188 1072800197 /nfs/dbraw/zinc/80/01/97/1072800197.db2.gz CNOBMDLMKJMMDJ-PCCBWWKXSA-N 0 3 462.664 1.303 20 30 JDEDHN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001507731439 1072800445 /nfs/dbraw/zinc/80/04/45/1072800445.db2.gz IRRIKQKFQGQPNU-PCCBWWKXSA-N 0 3 476.691 1.692 20 30 JDEDHN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001507731440 1072800479 /nfs/dbraw/zinc/80/04/79/1072800479.db2.gz IRRIKQKFQGQPNU-QHAWAJNXSA-N 0 3 476.691 1.692 20 30 JDEDHN C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001507732110 1072801219 /nfs/dbraw/zinc/80/12/19/1072801219.db2.gz IKJPLWLQTXVBCY-JOCHJYFZSA-N 0 3 497.619 1.694 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)CC1 ZINC001507739546 1072813364 /nfs/dbraw/zinc/81/33/64/1072813364.db2.gz RFPIESPIBOGSMJ-CTNGQTDRSA-N 0 3 490.674 1.268 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCN(CC)CC2)CC1 ZINC001507740396 1072815722 /nfs/dbraw/zinc/81/57/22/1072815722.db2.gz SEQIDZGOPIJUJD-UHFFFAOYSA-N 0 3 478.645 1.257 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CC1 ZINC001507740307 1072815855 /nfs/dbraw/zinc/81/58/55/1072815855.db2.gz ZYEUGHXFRFDTSQ-FQEVSTJZSA-N 0 3 490.674 1.411 20 30 JDEDHN C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507741421 1072818754 /nfs/dbraw/zinc/81/87/54/1072818754.db2.gz SFOSEUUPQIKEPZ-FPOVZHCZSA-N 0 3 487.674 1.259 20 30 JDEDHN C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001507755798 1072826193 /nfs/dbraw/zinc/82/61/93/1072826193.db2.gz WCJJKTMCXAQGKQ-IBGZPJMESA-N 0 3 456.620 1.393 20 30 JDEDHN C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507959530 1072860717 /nfs/dbraw/zinc/86/07/17/1072860717.db2.gz DRZYQHKPQDNBAA-UGKGYDQZSA-N 0 3 470.622 1.650 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001508080929 1072880305 /nfs/dbraw/zinc/88/03/05/1072880305.db2.gz UCASMVPIUFYMFK-UHFFFAOYSA-N 0 3 478.601 1.719 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001508095731 1072891216 /nfs/dbraw/zinc/89/12/16/1072891216.db2.gz ZXYOHLQRZWORIN-NRFANRHFSA-N 0 3 485.608 1.903 20 30 JDEDHN C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508109479 1072896594 /nfs/dbraw/zinc/89/65/94/1072896594.db2.gz SJGZSFFPQQWYEK-PMACEKPBSA-N 0 3 473.622 1.238 20 30 JDEDHN C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001508160720 1072931665 /nfs/dbraw/zinc/93/16/65/1072931665.db2.gz HYNFWBNEUMWYQO-SQNIBIBYSA-N 0 3 472.681 1.449 20 30 JDEDHN C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001508160719 1072931720 /nfs/dbraw/zinc/93/17/20/1072931720.db2.gz HYNFWBNEUMWYQO-KURKYZTESA-N 0 3 472.681 1.449 20 30 JDEDHN C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 ZINC001508163962 1072933171 /nfs/dbraw/zinc/93/31/71/1072933171.db2.gz XHXIQQRNVGFLMX-LJQANCHMSA-N 0 3 484.692 1.595 20 30 JDEDHN CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508388900 1073197675 /nfs/dbraw/zinc/19/76/75/1073197675.db2.gz HGNHQWPGJZHVEG-OAQYLSRUSA-N 0 3 464.574 1.086 20 30 JDEDHN CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508388792 1073197812 /nfs/dbraw/zinc/19/78/12/1073197812.db2.gz BZBVUJKOHUSDKL-UHFFFAOYSA-N 0 3 464.574 1.087 20 30 JDEDHN CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001509433366 1073613881 /nfs/dbraw/zinc/61/38/81/1073613881.db2.gz ORAAHDBTYMVDRE-XMMPIXPASA-N 0 3 451.575 1.985 20 30 JDEDHN CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)CC1 ZINC001509582983 1073709413 /nfs/dbraw/zinc/70/94/13/1073709413.db2.gz XNQSCLMLPIURSA-OAQYLSRUSA-N 0 3 471.631 1.466 20 30 JDEDHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001164707451 719874512 /nfs/dbraw/zinc/87/45/12/719874512.db2.gz STGFQEUWIDJIDS-DGGJZMOXSA-N 0 3 459.547 1.658 20 30 JDEDHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3nccnc3C(C#N)C(=O)OC(C)(C)C)C2)C1 ZINC001164722786 720298397 /nfs/dbraw/zinc/29/83/97/720298397.db2.gz ROQXJJDBOOPKBY-SBUREZEXSA-N 0 3 458.563 1.090 20 30 JDEDHN COc1cc(OC)nc(CN2CCN(c3nccnc3C(C#N)C(=O)OC(C)(C)C)CC2)n1 ZINC001165029445 721850977 /nfs/dbraw/zinc/85/09/77/721850977.db2.gz KGDYUHZEFRXHOO-HNNXBMFYSA-N 0 3 455.519 1.555 20 30 JDEDHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001500790778 1069314831 /nfs/dbraw/zinc/31/48/31/1069314831.db2.gz YMOSDXIIEDIXRC-FQEVSTJZSA-N 0 3 486.646 1.505 20 30 JDEDHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001501802587 1069731331 /nfs/dbraw/zinc/73/13/31/1069731331.db2.gz UNUSCIXPTAKDTF-ICSRJNTNSA-N 0 3 486.646 1.504 20 30 JDEDHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001501802586 1069731589 /nfs/dbraw/zinc/73/15/89/1069731589.db2.gz UNUSCIXPTAKDTF-AZUAARDMSA-N 0 3 486.646 1.504 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 ZINC001501901055 1069762548 /nfs/dbraw/zinc/76/25/48/1069762548.db2.gz BTEXLFCICWSFML-OAQYLSRUSA-N 0 3 451.575 1.986 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 ZINC001501901785 1069769967 /nfs/dbraw/zinc/76/99/67/1069769967.db2.gz ZSJNCFKQGZUXRH-FQEVSTJZSA-N 0 3 457.554 1.792 20 30 JDEDHN CN1CCN(Cc2cccc(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2)CC1 ZINC001477771651 1069856100 /nfs/dbraw/zinc/85/61/00/1069856100.db2.gz IOAQYZMXHXMWKK-SFTDATJTSA-N 0 3 456.591 1.992 20 30 JDEDHN C=CCN1CCC(NC(=O)N2CCN(c3ncc(I)cn3)CC2)CC1 ZINC001477805639 1069861207 /nfs/dbraw/zinc/86/12/07/1069861207.db2.gz SFDZDRDKVWFRGS-UHFFFAOYSA-N 0 3 456.332 1.563 20 30 JDEDHN Cc1ccc(-n2nc(CCCNC(=O)NC[C@H](C)CN3CCN(C)CC3)c(C#N)c2N)cc1 ZINC001477885735 1069872052 /nfs/dbraw/zinc/87/20/52/1069872052.db2.gz NTMDZCLHZQQCFU-IBGZPJMESA-N 0 3 452.607 1.750 20 30 JDEDHN Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H](C)CN3CCN(C)CC3)c(C#N)c2N)cc1 ZINC001477885736 1069872129 /nfs/dbraw/zinc/87/21/29/1069872129.db2.gz NTMDZCLHZQQCFU-LJQANCHMSA-N 0 3 452.607 1.750 20 30 JDEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001502248866 1069931279 /nfs/dbraw/zinc/93/12/79/1069931279.db2.gz CSHLVLIKXORWDI-QZTJIDSGSA-N 0 3 472.615 1.675 20 30 JDEDHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502264249 1069971407 /nfs/dbraw/zinc/97/14/07/1069971407.db2.gz WYMOOGVSDNDZTF-DLBZAZTESA-N 0 3 461.592 1.197 20 30 JDEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502264251 1069970038 /nfs/dbraw/zinc/97/00/38/1069970038.db2.gz WYMOOGVSDNDZTF-IRXDYDNUSA-N 0 3 461.592 1.197 20 30 JDEDHN CN1CCN(CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1(C)C ZINC001478519806 1070011249 /nfs/dbraw/zinc/01/12/49/1070011249.db2.gz HQSUJAWGJZTUEE-UHFFFAOYSA-N 0 3 456.570 1.723 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502310759 1070075779 /nfs/dbraw/zinc/07/57/79/1070075779.db2.gz FXNKIVRURNDMGD-FQEVSTJZSA-N 0 3 480.617 1.138 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502310481 1070074461 /nfs/dbraw/zinc/07/44/61/1070074461.db2.gz AFDYRRSWRKFQAX-GHTZIAJQSA-N 0 3 450.591 1.544 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502310602 1070074637 /nfs/dbraw/zinc/07/46/37/1070074637.db2.gz CKIWBIQETHSZFF-CVDCTZTESA-N 0 3 480.617 1.184 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001502315803 1070106607 /nfs/dbraw/zinc/10/66/07/1070106607.db2.gz VEBILZPGILOCER-FQEVSTJZSA-N 0 3 494.644 1.860 20 30 JDEDHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 ZINC001502342817 1070231146 /nfs/dbraw/zinc/23/11/46/1070231146.db2.gz FFPGTEHTXKNSSF-NRFANRHFSA-N 0 3 496.708 1.990 20 30 JDEDHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502345803 1070251708 /nfs/dbraw/zinc/25/17/08/1070251708.db2.gz FSONTMIBCNYIEL-OAQYLSRUSA-N 0 3 494.644 1.671 20 30 JDEDHN CCN1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502346857 1070258371 /nfs/dbraw/zinc/25/83/71/1070258371.db2.gz PIJJFCWPSOTHKP-FXAWDEMLSA-N 0 3 458.636 1.636 20 30 JDEDHN CCN1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502346859 1070257857 /nfs/dbraw/zinc/25/78/57/1070257857.db2.gz PIJJFCWPSOTHKP-XLIONFOSSA-N 0 3 458.636 1.636 20 30 JDEDHN CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001502443902 1070426306 /nfs/dbraw/zinc/42/63/06/1070426306.db2.gz BDTVYEZJGPJKBJ-HXUWFJFHSA-N 0 3 479.633 1.694 20 30 JDEDHN COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001504581049 1071405361 /nfs/dbraw/zinc/40/53/61/1071405361.db2.gz OXGLJRQGOYYLTG-NRFANRHFSA-N 0 3 467.574 1.223 20 30 JDEDHN CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503300710 1071518900 /nfs/dbraw/zinc/51/89/00/1071518900.db2.gz BWNOFHXJXAUMQB-DHUJRADRSA-N 0 3 499.641 1.242 20 30 JDEDHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 ZINC001503357010 1071556353 /nfs/dbraw/zinc/55/63/53/1071556353.db2.gz DEHLAHKUJGMRNY-HXUWFJFHSA-N 0 3 470.622 1.473 20 30 JDEDHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 ZINC001503360341 1071573232 /nfs/dbraw/zinc/57/32/32/1071573232.db2.gz PTLFSYJMIKXALP-HXUWFJFHSA-N 0 3 470.622 1.587 20 30 JDEDHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001503360727 1071574047 /nfs/dbraw/zinc/57/40/47/1071574047.db2.gz QZQCKRRPDYEPRV-STSQHVNTSA-N 0 3 456.595 1.302 20 30 JDEDHN CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503363933 1071586769 /nfs/dbraw/zinc/58/67/69/1071586769.db2.gz AAXLOVLYNGVUJI-NRFANRHFSA-N 0 3 478.601 1.428 20 30 JDEDHN CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001503407410 1071685145 /nfs/dbraw/zinc/68/51/45/1071685145.db2.gz VFESHSHTUABVBI-UHFFFAOYSA-N 0 3 496.641 1.759 20 30 JDEDHN COCCN(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N ZINC001504857428 1071776113 /nfs/dbraw/zinc/77/61/13/1071776113.db2.gz LDJXBKBTNUPJGP-ROUUACIJSA-N 0 3 465.599 1.903 20 30 JDEDHN COCCN(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N ZINC001504857427 1071776774 /nfs/dbraw/zinc/77/67/74/1071776774.db2.gz LDJXBKBTNUPJGP-QZTJIDSGSA-N 0 3 465.599 1.903 20 30 JDEDHN COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001504857629 1071777539 /nfs/dbraw/zinc/77/75/39/1071777539.db2.gz NRIZWVGCVYFJLR-GOSISDBHSA-N 0 3 459.545 1.902 20 30 JDEDHN COCCN(C)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001504859101 1071785573 /nfs/dbraw/zinc/78/55/73/1071785573.db2.gz SGBNVIKGJGMUIJ-IBGZPJMESA-N 0 3 467.622 1.966 20 30 JDEDHN COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001504859202 1071787691 /nfs/dbraw/zinc/78/76/91/1071787691.db2.gz WDKDJNDRZKNBBS-IBGZPJMESA-N 0 3 453.547 1.118 20 30 JDEDHN COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001504912968 1071871860 /nfs/dbraw/zinc/87/18/60/1071871860.db2.gz DOFBFLUQJNYFNV-QHCPKHFHSA-N 0 3 467.618 1.942 20 30 JDEDHN COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001504913541 1071873081 /nfs/dbraw/zinc/87/30/81/1071873081.db2.gz JYHDOYSOTIARLH-UHFFFAOYSA-N 0 3 453.591 1.696 20 30 JDEDHN CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CCCC1 ZINC001503612941 1071898790 /nfs/dbraw/zinc/89/87/90/1071898790.db2.gz IXJXEXZIAFWVSI-UHFFFAOYSA-N 0 3 458.588 1.838 20 30 JDEDHN CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC001466024345 1067851621 /nfs/dbraw/zinc/85/16/21/1067851621.db2.gz DQXHBBXJXVCKHM-GOSISDBHSA-N 0 3 450.605 1.635 20 30 JDEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001466133191 1067863704 /nfs/dbraw/zinc/86/37/04/1067863704.db2.gz SBSKSGFMAHJMBE-RBDMOPTHSA-N 0 3 456.568 1.224 20 30 JDEDHN C#CC[N@H+](C)CCCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC001468544793 1068309495 /nfs/dbraw/zinc/30/94/95/1068309495.db2.gz DDUNHCHIVVDRAJ-LJQANCHMSA-N 0 3 455.584 1.794 20 30 JDEDHN C#CC[N@@H+](C)CCCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC001468544793 1068309512 /nfs/dbraw/zinc/30/95/12/1068309512.db2.gz DDUNHCHIVVDRAJ-LJQANCHMSA-N 0 3 455.584 1.794 20 30 JDEDHN C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001507563868 1072621367 /nfs/dbraw/zinc/62/13/67/1072621367.db2.gz KBJCYKLMBQXCRL-FQEVSTJZSA-N 0 3 473.647 1.781 20 30 JDEDHN C#CCCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001507576613 1072629764 /nfs/dbraw/zinc/62/97/64/1072629764.db2.gz YTTQWKXTSJGXCD-HYBUGGRVSA-N 0 3 458.607 1.477 20 30 JDEDHN C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCN1CCN(C)C(C)(C)C1 ZINC001507611256 1072639369 /nfs/dbraw/zinc/63/93/69/1072639369.db2.gz MFEMDPMJAXUYDI-UHFFFAOYSA-N 0 3 462.602 1.770 20 30 JDEDHN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001507616108 1072640211 /nfs/dbraw/zinc/64/02/11/1072640211.db2.gz GJBFVMGRHLBOOI-QZTJIDSGSA-N 0 3 478.644 1.579 20 30 JDEDHN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001507616107 1072640557 /nfs/dbraw/zinc/64/05/57/1072640557.db2.gz GJBFVMGRHLBOOI-MSOLQXFVSA-N 0 3 478.644 1.579 20 30 JDEDHN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507623119 1072650145 /nfs/dbraw/zinc/65/01/45/1072650145.db2.gz RTKFUQDZOHPOKG-UXHICEINSA-N 0 3 478.663 1.411 20 30 JDEDHN C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001507627468 1072665738 /nfs/dbraw/zinc/66/57/38/1072665738.db2.gz JLRSFORFMHNVTK-QHCPKHFHSA-N 0 3 495.653 1.471 20 30 JDEDHN C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001507630650 1072681393 /nfs/dbraw/zinc/68/13/93/1072681393.db2.gz FAJVYNZABBBOHT-FQEVSTJZSA-N 0 3 459.620 1.427 20 30 JDEDHN C#CCN(c1nnc(-c2noc3c2COCC3)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC001507631433 1072687866 /nfs/dbraw/zinc/68/78/66/1072687866.db2.gz PMCNVJVEKQZZGR-QGZVFWFLSA-N 0 3 476.603 1.364 20 30 JDEDHN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001507631901 1072690541 /nfs/dbraw/zinc/69/05/41/1072690541.db2.gz HAWQKDPVSPWJCK-CEXWTWQISA-N 0 3 464.636 1.222 20 30 JDEDHN C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001507635969 1072714612 /nfs/dbraw/zinc/71/46/12/1072714612.db2.gz WRKBHXRRAFAMOV-TZIWHRDSSA-N 0 3 483.642 1.874 20 30 JDEDHN C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001507660460 1072750029 /nfs/dbraw/zinc/75/00/29/1072750029.db2.gz UPLIDZVEIVDYEY-JTHBVZDNSA-N 0 3 498.653 1.642 20 30 JDEDHN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001507721920 1072787404 /nfs/dbraw/zinc/78/74/04/1072787404.db2.gz NDLQAPQMRRUUKZ-XLIONFOSSA-N 0 3 477.610 1.086 20 30 JDEDHN C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001507724597 1072792875 /nfs/dbraw/zinc/79/28/75/1072792875.db2.gz TXQLDNLBZJDWFH-NRFANRHFSA-N 0 3 453.610 1.789 20 30 JDEDHN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001507731187 1072800073 /nfs/dbraw/zinc/80/00/73/1072800073.db2.gz CNOBMDLMKJMMDJ-NJDAHSKKSA-N 0 3 462.664 1.303 20 30 JDEDHN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001507731438 1072800376 /nfs/dbraw/zinc/80/03/76/1072800376.db2.gz IRRIKQKFQGQPNU-NJDAHSKKSA-N 0 3 476.691 1.692 20 30 JDEDHN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001507731437 1072800466 /nfs/dbraw/zinc/80/04/66/1072800466.db2.gz IRRIKQKFQGQPNU-HBMCJLEFSA-N 0 3 476.691 1.692 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001507737181 1072808546 /nfs/dbraw/zinc/80/85/46/1072808546.db2.gz ZKHCITYZYZAHRZ-PZJWPPBQSA-N 0 3 471.650 1.700 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)CC1 ZINC001507738918 1072812006 /nfs/dbraw/zinc/81/20/06/1072812006.db2.gz HXFJLQCTXFIGGN-LJQANCHMSA-N 0 3 476.647 1.020 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)CC1 ZINC001507739549 1072813340 /nfs/dbraw/zinc/81/33/40/1072813340.db2.gz RFPIESPIBOGSMJ-PZJWPPBQSA-N 0 3 490.674 1.268 20 30 JDEDHN C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001507774964 1072830722 /nfs/dbraw/zinc/83/07/22/1072830722.db2.gz QAZJZKFSVZFREJ-UHFFFAOYSA-N 0 3 467.412 1.971 20 30 JDEDHN C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001507790790 1072834911 /nfs/dbraw/zinc/83/49/11/1072834911.db2.gz DAWZUSJTVSFYBF-SFTDATJTSA-N 0 3 460.623 1.946 20 30 JDEDHN C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001507801960 1072839320 /nfs/dbraw/zinc/83/93/20/1072839320.db2.gz ZLVKNDZBNXLATF-UGKGYDQZSA-N 0 3 470.622 1.650 20 30 JDEDHN C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 ZINC001507852943 1072850614 /nfs/dbraw/zinc/85/06/14/1072850614.db2.gz FGUNZOLQOXWGJW-MRXNPFEDSA-N 0 3 465.023 1.930 20 30 JDEDHN C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001507863080 1072851994 /nfs/dbraw/zinc/85/19/94/1072851994.db2.gz BGRUOJJBHXCXLF-UHFFFAOYSA-N 0 3 463.970 1.749 20 30 JDEDHN C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001507925590 1072857148 /nfs/dbraw/zinc/85/71/48/1072857148.db2.gz ILURGSQZEXXGIO-ROUUACIJSA-N 0 3 454.641 1.934 20 30 JDEDHN C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001507935476 1072857835 /nfs/dbraw/zinc/85/78/35/1072857835.db2.gz QINRQBLQHICJHQ-FHWLQOOXSA-N 0 3 454.641 1.886 20 30 JDEDHN C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001507966470 1072861581 /nfs/dbraw/zinc/86/15/81/1072861581.db2.gz YJORMGBAZGXEKX-OAQYLSRUSA-N 0 3 453.591 1.599 20 30 JDEDHN C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001508048836 1072869814 /nfs/dbraw/zinc/86/98/14/1072869814.db2.gz ZWFRXJUVJJKMMY-UHFFFAOYSA-N 0 3 489.646 1.372 20 30 JDEDHN C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001508085263 1072882309 /nfs/dbraw/zinc/88/23/09/1072882309.db2.gz FYCWPQAAYLMXQM-IBGZPJMESA-N 0 3 454.575 1.338 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508092592 1072888195 /nfs/dbraw/zinc/88/81/95/1072888195.db2.gz DAHNLWLPVDINEF-FQEVSTJZSA-N 0 3 485.564 1.041 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001508092679 1072888265 /nfs/dbraw/zinc/88/82/65/1072888265.db2.gz FFDVBCDVTDWHDK-UHFFFAOYSA-N 0 3 470.574 1.469 20 30 JDEDHN C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 ZINC001508107637 1072895889 /nfs/dbraw/zinc/89/58/89/1072895889.db2.gz DLVVEODLLKMIMO-LEWJYISDSA-N 0 3 459.639 1.569 20 30 JDEDHN C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508109483 1072896565 /nfs/dbraw/zinc/89/65/65/1072896565.db2.gz SJGZSFFPQQWYEK-UXHICEINSA-N 0 3 473.622 1.238 20 30 JDEDHN CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001508261308 1073029453 /nfs/dbraw/zinc/02/94/53/1073029453.db2.gz QUQSTCIJWQZIMU-UHFFFAOYSA-N 0 3 480.617 1.423 20 30 JDEDHN CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001508400856 1073211783 /nfs/dbraw/zinc/21/17/83/1073211783.db2.gz NBNLYNJHOCCQQY-LJQANCHMSA-N 0 3 481.601 1.944 20 30 JDEDHN CC(C)(C)N1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001508621437 1073288190 /nfs/dbraw/zinc/28/81/90/1073288190.db2.gz ANXYDYMXPOZKSL-DQRAZIAOSA-N 0 3 464.574 1.711 20 30 JDEDHN CC(C)(C)N1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001508621440 1073288209 /nfs/dbraw/zinc/28/82/09/1073288209.db2.gz ANXYDYMXPOZKSL-QURGRASLSA-N 0 3 464.574 1.711 20 30 JDEDHN CC(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001509015210 1073479281 /nfs/dbraw/zinc/47/92/81/1073479281.db2.gz SIRJGINDHBQVFR-XDOYNYLZSA-N 0 3 457.579 1.477 20 30 JDEDHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001509406941 1073586259 /nfs/dbraw/zinc/58/62/59/1073586259.db2.gz IGKOXVMMXSPHAU-IPMKNSEASA-N 0 3 450.609 1.277 20 30 JDEDHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001164707453 719874430 /nfs/dbraw/zinc/87/44/30/719874430.db2.gz STGFQEUWIDJIDS-QQMNAOGKSA-N 0 3 459.547 1.658 20 30 JDEDHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2 ZINC001164832623 720476139 /nfs/dbraw/zinc/47/61/39/720476139.db2.gz KJAWIPFCXTWVMS-MOPGFXCFSA-N 0 3 497.600 1.612 20 30 JDEDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC001476007808 1069587763 /nfs/dbraw/zinc/58/77/63/1069587763.db2.gz ZDFRPEJUOKOQMO-CYNURGJPSA-N 0 3 450.565 1.083 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 ZINC001501899167 1069758889 /nfs/dbraw/zinc/75/88/89/1069758889.db2.gz JHHMIJLVOCIZJD-UHFFFAOYSA-N 0 3 491.556 1.429 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 ZINC001501901185 1069764028 /nfs/dbraw/zinc/76/40/28/1069764028.db2.gz HTGGSUNLLPYZGW-XMMPIXPASA-N 0 3 483.642 1.675 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 ZINC001501901114 1069763171 /nfs/dbraw/zinc/76/31/71/1069763171.db2.gz DSSXQCOMHSSPCR-OAQYLSRUSA-N 0 3 451.575 1.986 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001501901707 1069768855 /nfs/dbraw/zinc/76/88/55/1069768855.db2.gz WLQUUFIAGWZPNX-OAQYLSRUSA-N 0 3 492.628 1.722 20 30 JDEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001502248867 1069929451 /nfs/dbraw/zinc/92/94/51/1069929451.db2.gz CSHLVLIKXORWDI-ROUUACIJSA-N 0 3 472.615 1.675 20 30 JDEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C ZINC001502252446 1069935877 /nfs/dbraw/zinc/93/58/77/1069935877.db2.gz YCAKDJBCORENAE-ZWKOTPCHSA-N 0 3 498.613 1.843 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502310484 1070074730 /nfs/dbraw/zinc/07/47/30/1070074730.db2.gz AFDYRRSWRKFQAX-WIYYLYMNSA-N 0 3 450.591 1.544 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502310604 1070075108 /nfs/dbraw/zinc/07/51/08/1070075108.db2.gz CKIWBIQETHSZFF-XXBNENTESA-N 0 3 480.617 1.184 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001502312242 1070083606 /nfs/dbraw/zinc/08/36/06/1070083606.db2.gz IWIZAWQOIZIFMH-NQIIRXRSSA-N 0 3 450.591 1.763 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502315245 1070099208 /nfs/dbraw/zinc/09/92/08/1070099208.db2.gz JTXLBABDJCAEAN-IBGZPJMESA-N 0 3 480.617 1.456 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502315595 1070102530 /nfs/dbraw/zinc/10/25/30/1070102530.db2.gz QZBAYWOJKZGWJT-FQEVSTJZSA-N 0 3 496.616 1.643 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001502315804 1070106765 /nfs/dbraw/zinc/10/67/65/1070106765.db2.gz VEBILZPGILOCER-HXUWFJFHSA-N 0 3 494.644 1.860 20 30 JDEDHN CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001502334856 1070189846 /nfs/dbraw/zinc/18/98/46/1070189846.db2.gz TXOZLMWSJYNQKD-NRFANRHFSA-N 0 3 450.591 1.511 20 30 JDEDHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502345802 1070253184 /nfs/dbraw/zinc/25/31/84/1070253184.db2.gz FSONTMIBCNYIEL-NRFANRHFSA-N 0 3 494.644 1.671 20 30 JDEDHN CCN1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502346858 1070258570 /nfs/dbraw/zinc/25/85/70/1070258570.db2.gz PIJJFCWPSOTHKP-PXNSSMCTSA-N 0 3 458.636 1.636 20 30 JDEDHN CCN1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502346860 1070258663 /nfs/dbraw/zinc/25/86/63/1070258663.db2.gz PIJJFCWPSOTHKP-YLJYHZDGSA-N 0 3 458.636 1.636 20 30 JDEDHN CCN1CCN(CCCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001502355935 1070287116 /nfs/dbraw/zinc/28/71/16/1070287116.db2.gz CTNZKWFJTZPGBD-IBGZPJMESA-N 0 3 477.617 1.815 20 30 JDEDHN CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001502355246 1070286666 /nfs/dbraw/zinc/28/66/66/1070286666.db2.gz VJNYKMGTZRDHMU-NRFANRHFSA-N 0 3 471.631 1.468 20 30 JDEDHN CCN1CCN(CCCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001502355936 1070287739 /nfs/dbraw/zinc/28/77/39/1070287739.db2.gz CTNZKWFJTZPGBD-LJQANCHMSA-N 0 3 477.617 1.815 20 30 JDEDHN COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001504041656 1070800863 /nfs/dbraw/zinc/80/08/63/1070800863.db2.gz JTPFCMKAYQWSAR-OAQYLSRUSA-N 0 3 481.601 1.897 20 30 JDEDHN CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCOC1 ZINC001502728398 1070838716 /nfs/dbraw/zinc/83/87/16/1070838716.db2.gz HRPHTTSNQFCXRY-YZUZCNPQSA-N 0 3 470.574 1.970 20 30 JDEDHN CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001503282133 1071435024 /nfs/dbraw/zinc/43/50/24/1071435024.db2.gz NDMRUZNPZRSVPC-UHFFFAOYSA-N 0 3 495.613 1.258 20 30 JDEDHN COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504610583 1071469098 /nfs/dbraw/zinc/46/90/98/1071469098.db2.gz CSPFNFZNNVLKSW-HXUWFJFHSA-N 0 3 485.564 1.458 20 30 JDEDHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001503361205 1071575721 /nfs/dbraw/zinc/57/57/21/1071575721.db2.gz SYEUGIYEZBNUAJ-UZUQRXQVSA-N 0 3 483.552 1.310 20 30 JDEDHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001503360214 1071573370 /nfs/dbraw/zinc/57/33/70/1071573370.db2.gz PFGAVEOJBBRAGT-YADARESESA-N 0 3 470.622 1.587 20 30 JDEDHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001503360725 1071573956 /nfs/dbraw/zinc/57/39/56/1071573956.db2.gz QZQCKRRPDYEPRV-IUKKYPGJSA-N 0 3 456.595 1.302 20 30 JDEDHN CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503363941 1071587097 /nfs/dbraw/zinc/58/70/97/1071587097.db2.gz AAXLOVLYNGVUJI-OAQYLSRUSA-N 0 3 478.601 1.428 20 30 JDEDHN CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CC=CCC2)c1 ZINC001503408039 1071689212 /nfs/dbraw/zinc/68/92/12/1071689212.db2.gz ARELSPPHWMAUDL-QFIPXVFZSA-N 0 3 473.578 1.899 20 30 JDEDHN COCCN(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N ZINC001504857429 1071776339 /nfs/dbraw/zinc/77/63/39/1071776339.db2.gz LDJXBKBTNUPJGP-ZWKOTPCHSA-N 0 3 465.599 1.903 20 30 JDEDHN COCCN(C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(CC#N)CC1 ZINC001504858060 1071781579 /nfs/dbraw/zinc/78/15/79/1071781579.db2.gz WLQBLHHMGQEKRP-UHFFFAOYSA-N 0 3 464.574 1.900 20 30 JDEDHN COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001504859203 1071787001 /nfs/dbraw/zinc/78/70/01/1071787001.db2.gz WDKDJNDRZKNBBS-LJQANCHMSA-N 0 3 453.547 1.118 20 30 JDEDHN CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC001464899731 1067691381 /nfs/dbraw/zinc/69/13/81/1067691381.db2.gz DRWXLVPUEOJHRS-IBGZPJMESA-N 0 3 450.605 1.853 20 30 JDEDHN CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC001466024346 1067851664 /nfs/dbraw/zinc/85/16/64/1067851664.db2.gz DQXHBBXJXVCKHM-SFHVURJKSA-N 0 3 450.605 1.635 20 30 JDEDHN C=CC[C@]1(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)CCCN1C(=O)OC(C)(C)C ZINC001468667789 1068341638 /nfs/dbraw/zinc/34/16/38/1068341638.db2.gz BMELPDLRJPMATM-WZONZLPQSA-N 0 3 452.596 1.628 20 30 JDEDHN C#CCN(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCN(C)CC1 ZINC001471320263 1068853747 /nfs/dbraw/zinc/85/37/47/1068853747.db2.gz OYXGHVJKONVWMN-GOSISDBHSA-N 0 3 456.609 1.150 20 30 JDEDHN C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2CCN(CC)CC2)c1 ZINC001507550540 1072611986 /nfs/dbraw/zinc/61/19/86/1072611986.db2.gz MHNJULOJKLZEPN-JOCHJYFZSA-N 0 3 479.629 1.866 20 30 JDEDHN C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001507555793 1072616991 /nfs/dbraw/zinc/61/69/91/1072616991.db2.gz BOOMYGQLVVILCQ-GOSISDBHSA-N 0 3 452.625 1.240 20 30 JDEDHN C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507622264 1072646330 /nfs/dbraw/zinc/64/63/30/1072646330.db2.gz CPXXFXCXOISBIJ-UXHICEINSA-N 0 3 476.647 1.405 20 30 JDEDHN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507623124 1072650239 /nfs/dbraw/zinc/65/02/39/1072650239.db2.gz RTKFUQDZOHPOKG-WOJBJXKFSA-N 0 3 478.663 1.411 20 30 JDEDHN C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507625321 1072658151 /nfs/dbraw/zinc/65/81/51/1072658151.db2.gz ICABLCRMNGMUHB-GBXCKJPGSA-N 0 3 493.674 1.820 20 30 JDEDHN C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507631822 1072690784 /nfs/dbraw/zinc/69/07/84/1072690784.db2.gz GNLZEPQKBUYSNC-NJYVYQBISA-N 0 3 463.648 1.921 20 30 JDEDHN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001507631904 1072691875 /nfs/dbraw/zinc/69/18/75/1072691875.db2.gz HAWQKDPVSPWJCK-QYZOEREBSA-N 0 3 464.636 1.222 20 30 JDEDHN C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507634813 1072709581 /nfs/dbraw/zinc/70/95/81/1072709581.db2.gz NLBPEUDYVFOXQC-TZIWHRDSSA-N 0 3 456.616 1.623 20 30 JDEDHN C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507639006 1072724158 /nfs/dbraw/zinc/72/41/58/1072724158.db2.gz IQFFUTVCRUIYOC-QHCPKHFHSA-N 0 3 498.697 1.716 20 30 JDEDHN C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001507660458 1072749989 /nfs/dbraw/zinc/74/99/89/1072749989.db2.gz UPLIDZVEIVDYEY-GGAORHGYSA-N 0 3 498.653 1.642 20 30 JDEDHN C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001507720628 1072783744 /nfs/dbraw/zinc/78/37/44/1072783744.db2.gz VEEBWJSMWGEQEI-VWLOTQADSA-N 0 3 473.666 1.100 20 30 JDEDHN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001507721917 1072787845 /nfs/dbraw/zinc/78/78/45/1072787845.db2.gz NDLQAPQMRRUUKZ-FXAWDEMLSA-N 0 3 477.610 1.086 20 30 JDEDHN C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001507724599 1072792431 /nfs/dbraw/zinc/79/24/31/1072792431.db2.gz TXQLDNLBZJDWFH-OAQYLSRUSA-N 0 3 453.610 1.789 20 30 JDEDHN C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2nnc(C)[nH]2)CC1 ZINC001507730815 1072799206 /nfs/dbraw/zinc/79/92/06/1072799206.db2.gz VUZJAROQRNKJBQ-GOSISDBHSA-N 0 3 485.593 1.011 20 30 JDEDHN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC001507731189 1072800086 /nfs/dbraw/zinc/80/00/86/1072800086.db2.gz CNOBMDLMKJMMDJ-QHAWAJNXSA-N 0 3 462.664 1.303 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 ZINC001507732700 1072802114 /nfs/dbraw/zinc/80/21/14/1072802114.db2.gz JNYLZSGJIVNAKJ-HXUWFJFHSA-N 0 3 469.634 1.600 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001507737179 1072808416 /nfs/dbraw/zinc/80/84/16/1072808416.db2.gz ZKHCITYZYZAHRZ-CTNGQTDRSA-N 0 3 471.650 1.700 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001507737540 1072808790 /nfs/dbraw/zinc/80/87/90/1072808790.db2.gz BGWPODXYWIYUFP-UHFFFAOYSA-N 0 3 478.576 1.916 20 30 JDEDHN C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001507741423 1072818668 /nfs/dbraw/zinc/81/86/68/1072818668.db2.gz SFOSEUUPQIKEPZ-TZIWHRDSSA-N 0 3 487.674 1.259 20 30 JDEDHN C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001507751068 1072823341 /nfs/dbraw/zinc/82/33/41/1072823341.db2.gz JRRMVEVOFWJLMX-CEWLAPEOSA-N 0 3 460.648 1.527 20 30 JDEDHN C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001507752809 1072825327 /nfs/dbraw/zinc/82/53/27/1072825327.db2.gz GOZBSFCKVHXKND-JOCHJYFZSA-N 0 3 493.637 1.838 20 30 JDEDHN C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001507752810 1072825343 /nfs/dbraw/zinc/82/53/43/1072825343.db2.gz GOZBSFCKVHXKND-QFIPXVFZSA-N 0 3 493.637 1.838 20 30 JDEDHN C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001507755800 1072826107 /nfs/dbraw/zinc/82/61/07/1072826107.db2.gz WCJJKTMCXAQGKQ-LJQANCHMSA-N 0 3 456.620 1.393 20 30 JDEDHN C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001507774322 1072830457 /nfs/dbraw/zinc/83/04/57/1072830457.db2.gz BCWGDPBYVVPOCJ-UHFFFAOYSA-N 0 3 480.411 1.167 20 30 JDEDHN C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001507782878 1072832708 /nfs/dbraw/zinc/83/27/08/1072832708.db2.gz BCJYGBUEIQNJHI-QGZVFWFLSA-N 0 3 460.380 1.992 20 30 JDEDHN C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001507789425 1072834566 /nfs/dbraw/zinc/83/45/66/1072834566.db2.gz CULZARAUFONZMR-UHFFFAOYSA-N 0 3 482.427 1.300 20 30 JDEDHN C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001507846692 1072849427 /nfs/dbraw/zinc/84/94/27/1072849427.db2.gz UJMHBGIRRGQYJI-NRFANRHFSA-N 0 3 453.591 1.599 20 30 JDEDHN C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001507846675 1072849495 /nfs/dbraw/zinc/84/94/95/1072849495.db2.gz TVCHXKXBFDGLDE-UHFFFAOYSA-N 0 3 473.647 1.971 20 30 JDEDHN C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 ZINC001507852942 1072850508 /nfs/dbraw/zinc/85/05/08/1072850508.db2.gz FGUNZOLQOXWGJW-INIZCTEOSA-N 0 3 465.023 1.930 20 30 JDEDHN C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001507966468 1072861689 /nfs/dbraw/zinc/86/16/89/1072861689.db2.gz YJORMGBAZGXEKX-NRFANRHFSA-N 0 3 453.591 1.599 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508072680 1072874150 /nfs/dbraw/zinc/87/41/50/1072874150.db2.gz FFKMJJRPNSFQAE-IBGZPJMESA-N 0 3 489.983 1.783 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508072681 1072874237 /nfs/dbraw/zinc/87/42/37/1072874237.db2.gz FFKMJJRPNSFQAE-LJQANCHMSA-N 0 3 489.983 1.783 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508089187 1072884828 /nfs/dbraw/zinc/88/48/28/1072884828.db2.gz AXDZEJJYISZHIL-UHFFFAOYSA-N 0 3 495.628 1.521 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508089553 1072885175 /nfs/dbraw/zinc/88/51/75/1072885175.db2.gz CCWQYSTXMNNMDZ-JOCHJYFZSA-N 0 3 495.628 1.519 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508089557 1072885259 /nfs/dbraw/zinc/88/52/59/1072885259.db2.gz CCWQYSTXMNNMDZ-QFIPXVFZSA-N 0 3 495.628 1.519 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001508095145 1072890576 /nfs/dbraw/zinc/89/05/76/1072890576.db2.gz SRRNSYMNRPJUCB-LJQANCHMSA-N 0 3 484.601 1.857 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001508095634 1072891189 /nfs/dbraw/zinc/89/11/89/1072891189.db2.gz YUCUWAXQJUSYJO-UHFFFAOYSA-N 0 3 458.538 1.599 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001508095733 1072891198 /nfs/dbraw/zinc/89/11/98/1072891198.db2.gz ZXYOHLQRZWORIN-OAQYLSRUSA-N 0 3 485.608 1.903 20 30 JDEDHN C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001508097113 1072892128 /nfs/dbraw/zinc/89/21/28/1072892128.db2.gz MTAHYUJWVXQWAE-JOCHJYFZSA-N 0 3 495.628 1.772 20 30 JDEDHN C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCN(CC)CC2)C1 ZINC001508107638 1072895831 /nfs/dbraw/zinc/89/58/31/1072895831.db2.gz DLVVEODLLKMIMO-NHCUHLMSSA-N 0 3 459.639 1.569 20 30 JDEDHN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCCCC2)C1 ZINC001508141000 1072915597 /nfs/dbraw/zinc/91/55/97/1072915597.db2.gz KTBORMONXUCYPR-ROUUACIJSA-N 0 3 450.609 1.142 20 30 JDEDHN CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508388899 1073197777 /nfs/dbraw/zinc/19/77/77/1073197777.db2.gz HGNHQWPGJZHVEG-NRFANRHFSA-N 0 3 464.574 1.086 20 30 JDEDHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001509406940 1073586068 /nfs/dbraw/zinc/58/60/68/1073586068.db2.gz IGKOXVMMXSPHAU-GBESFXJTSA-N 0 3 450.609 1.277 20 30 JDEDHN CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 ZINC001509413580 1073592754 /nfs/dbraw/zinc/59/27/54/1073592754.db2.gz YEAIQTUJWFLOIV-UHFFFAOYSA-N 0 3 457.604 1.630 20 30 JDEDHN CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001509433361 1073613838 /nfs/dbraw/zinc/61/38/38/1073613838.db2.gz ORAAHDBTYMVDRE-DEOSSOPVSA-N 0 3 451.575 1.985 20 30 JDEDHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3nccnc3C(C#N)C(=O)OC(C)(C)C)C2)C1 ZINC001164722783 720300060 /nfs/dbraw/zinc/30/00/60/720300060.db2.gz ROQXJJDBOOPKBY-HXOBKFHXSA-N 0 3 458.563 1.090 20 30 JDEDHN COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001474943329 1069313665 /nfs/dbraw/zinc/31/36/65/1069313665.db2.gz VYTWTFYPLKTPOR-UHFFFAOYSA-N 0 3 456.568 1.783 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 ZINC001501901786 1069770235 /nfs/dbraw/zinc/77/02/35/1069770235.db2.gz ZSJNCFKQGZUXRH-HXUWFJFHSA-N 0 3 457.554 1.792 20 30 JDEDHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001501983018 1069812144 /nfs/dbraw/zinc/81/21/44/1069812144.db2.gz VOPMWRJBMSRSIX-UYAOXDASSA-N 0 3 486.646 1.504 20 30 JDEDHN CN1CCN(Cc2cccc(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2)CC1 ZINC001477771648 1069855628 /nfs/dbraw/zinc/85/56/28/1069855628.db2.gz IOAQYZMXHXMWKK-LEWJYISDSA-N 0 3 456.591 1.992 20 30 JDEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001502248865 1069930505 /nfs/dbraw/zinc/93/05/05/1069930505.db2.gz CSHLVLIKXORWDI-MSOLQXFVSA-N 0 3 472.615 1.675 20 30 JDEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502264252 1069970848 /nfs/dbraw/zinc/97/08/48/1069970848.db2.gz WYMOOGVSDNDZTF-SJORKVTESA-N 0 3 461.592 1.197 20 30 JDEDHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001502281794 1070014768 /nfs/dbraw/zinc/01/47/68/1070014768.db2.gz NNMIMWKCPMDQJL-IBGZPJMESA-N 0 3 451.579 1.494 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502310601 1070074234 /nfs/dbraw/zinc/07/42/34/1070074234.db2.gz CKIWBIQETHSZFF-AUSIDOKSSA-N 0 3 480.617 1.184 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502311063 1070077471 /nfs/dbraw/zinc/07/74/71/1070077471.db2.gz LSWKGAXQQIDGNF-XLIONFOSSA-N 0 3 454.535 1.608 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001502311786 1070080712 /nfs/dbraw/zinc/08/07/12/1070080712.db2.gz ZJLOKLBJWHJKTO-HXUWFJFHSA-N 0 3 480.617 1.138 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502314469 1070093783 /nfs/dbraw/zinc/09/37/83/1070093783.db2.gz WCRBGKCAOYIOHH-MSOLQXFVSA-N 0 3 459.545 1.902 20 30 JDEDHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)C2)CC1 ZINC001502334559 1070186887 /nfs/dbraw/zinc/18/68/87/1070186887.db2.gz KRKSEXRQEORIOQ-JOCHJYFZSA-N 0 3 464.618 1.901 20 30 JDEDHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001502338779 1070217597 /nfs/dbraw/zinc/21/75/97/1070217597.db2.gz ZPPPIMWPTVCMNO-WZONZLPQSA-N 0 3 469.569 1.641 20 30 JDEDHN CCN1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001502354443 1070282116 /nfs/dbraw/zinc/28/21/16/1070282116.db2.gz JBWJDUABMYKUMM-IBGZPJMESA-N 0 3 473.647 1.972 20 30 JDEDHN CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCC(C)CC1 ZINC001494066441 1070383571 /nfs/dbraw/zinc/38/35/71/1070383571.db2.gz IJRXAGFRPHOSIE-UHFFFAOYSA-N 0 3 465.606 1.741 20 30 JDEDHN CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001502443901 1070426151 /nfs/dbraw/zinc/42/61/51/1070426151.db2.gz BDTVYEZJGPJKBJ-FQEVSTJZSA-N 0 3 479.633 1.694 20 30 JDEDHN CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCOC1 ZINC001502728399 1070839128 /nfs/dbraw/zinc/83/91/28/1070839128.db2.gz HRPHTTSNQFCXRY-ZFGGDYGUSA-N 0 3 470.574 1.970 20 30 JDEDHN CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)Cc2ccc(F)cc2)CCOC1 ZINC001502729001 1070839232 /nfs/dbraw/zinc/83/92/32/1070839232.db2.gz KRRULSISQFARSV-NZQKXSOJSA-N 0 3 458.538 1.930 20 30 JDEDHN CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 ZINC001503246374 1071246667 /nfs/dbraw/zinc/24/66/67/1071246667.db2.gz SWFGWTIQRWJMQO-UHFFFAOYSA-N 0 3 460.604 1.798 20 30 JDEDHN COC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC ZINC001504586144 1071418021 /nfs/dbraw/zinc/41/80/21/1071418021.db2.gz XVYMUPMEVTXNOE-JOCHJYFZSA-N 0 3 464.574 1.924 20 30 JDEDHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 ZINC001503361201 1071575925 /nfs/dbraw/zinc/57/59/25/1071575925.db2.gz SYEUGIYEZBNUAJ-HXOBKFHXSA-N 0 3 483.552 1.310 20 30 JDEDHN CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503367362 1071595142 /nfs/dbraw/zinc/59/51/42/1071595142.db2.gz IHXRUYNMBHLPQF-UHFFFAOYSA-N 0 3 451.575 1.844 20 30 JDEDHN COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001504798189 1071677945 /nfs/dbraw/zinc/67/79/45/1071677945.db2.gz NAEYSNZNMVGKSN-UHFFFAOYSA-N 0 3 451.575 1.988 20 30 JDEDHN COCCN(C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 ZINC001504859134 1071785638 /nfs/dbraw/zinc/78/56/38/1071785638.db2.gz TWWMOWOWHRSDJB-GOSISDBHSA-N 0 3 479.379 1.927 20 30 JDEDHN CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503640939 1071958253 /nfs/dbraw/zinc/95/82/53/1071958253.db2.gz VWSHAQPMTTXEHL-UHFFFAOYSA-N 0 3 489.646 1.236 20 30 JDEDHN Cn1cc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CC(=O)NCC(F)F)cn1 ZINC001503652069 1071977586 /nfs/dbraw/zinc/97/75/86/1071977586.db2.gz HLLMBJKBXXERHT-UHFFFAOYSA-N 0 3 483.527 1.644 20 30 JDEDHN CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC001465887699 1067839777 /nfs/dbraw/zinc/83/97/77/1067839777.db2.gz ILQBSKRFLOFQSK-MJGOQNOKSA-N 0 3 450.605 1.493 20 30 JDEDHN CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC001465887699 1067839779 /nfs/dbraw/zinc/83/97/79/1067839779.db2.gz ILQBSKRFLOFQSK-MJGOQNOKSA-N 0 3 450.605 1.493 20 30 JDEDHN C#CC[N@H+](C)CCCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC001468544792 1068309995 /nfs/dbraw/zinc/30/99/95/1068309995.db2.gz DDUNHCHIVVDRAJ-IBGZPJMESA-N 0 3 455.584 1.794 20 30 JDEDHN C#CC[N@@H+](C)CCCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC001468544792 1068310017 /nfs/dbraw/zinc/31/00/17/1068310017.db2.gz DDUNHCHIVVDRAJ-IBGZPJMESA-N 0 3 455.584 1.794 20 30 JDEDHN C=CC[C@]1(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)CCCN1C(=O)OC(C)(C)C ZINC001468667781 1068341133 /nfs/dbraw/zinc/34/11/33/1068341133.db2.gz BMELPDLRJPMATM-FDDCHVKYSA-N 0 3 452.596 1.628 20 30 JDEDHN C#CCN(C)CCCNC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001470351896 1068751075 /nfs/dbraw/zinc/75/10/75/1068751075.db2.gz GTQTXIOOLITDDD-UHFFFAOYSA-N 0 3 459.595 1.873 20 30 JDEDHN C[C@H](CC(=O)Nc1ccc(CN2CCN(C)CC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001472488482 1069015668 /nfs/dbraw/zinc/01/56/68/1069015668.db2.gz HLKFTZRSJYMUCD-QGZVFWFLSA-N 0 3 455.584 1.890 20 30 JDEDHN CCN1CCN(Cc2ccccc2CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC001472489528 1069016236 /nfs/dbraw/zinc/01/62/36/1069016236.db2.gz YFQAGJMGIGMACV-UHFFFAOYSA-N 0 3 455.584 1.290 20 30 JDEDHN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC001472593596 1069036368 /nfs/dbraw/zinc/03/63/68/1069036368.db2.gz FDIMXDVBGOHYQE-FGZHOGPDSA-N 0 3 454.552 1.338 20 30 JDEDHN CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CCN1CCOC ZINC001500248786 1069221829 /nfs/dbraw/zinc/22/18/29/1069221829.db2.gz CRFBFJFICGJQFZ-URXFXBBRSA-N 0 3 454.575 1.905 20 30 JDEDHN CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CCN1CCOC ZINC001500248785 1069221991 /nfs/dbraw/zinc/22/19/91/1069221991.db2.gz CRFBFJFICGJQFZ-QPPBQGQZSA-N 0 3 454.575 1.905 20 30 JDEDHN CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCN1CCOC ZINC001500250292 1069222041 /nfs/dbraw/zinc/22/20/41/1069222041.db2.gz SCQKYFVYFJUXHQ-QFIPXVFZSA-N 0 3 481.601 1.613 20 30 JDEDHN C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001507536467 1072598068 /nfs/dbraw/zinc/59/80/68/1072598068.db2.gz DYSSCZVEUKHSMK-CTNGQTDRSA-N 0 3 462.602 1.917 20 30 JDEDHN C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCC2)c1 ZINC001507551757 1072613785 /nfs/dbraw/zinc/61/37/85/1072613785.db2.gz YUBFMAGNZSUXLL-CTNGQTDRSA-N 0 3 498.653 1.968 20 30 JDEDHN C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCC2)c1 ZINC001507551759 1072613905 /nfs/dbraw/zinc/61/39/05/1072613905.db2.gz YUBFMAGNZSUXLL-FPOVZHCZSA-N 0 3 498.653 1.968 20 30 JDEDHN C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001507558934 1072619625 /nfs/dbraw/zinc/61/96/25/1072619625.db2.gz ZHVLIEYPZUVUAU-ZJOUEHCJSA-N 0 3 493.678 1.071 20 30 JDEDHN C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001507564458 1072623278 /nfs/dbraw/zinc/62/32/78/1072623278.db2.gz PTSPNUFXGOOWDY-LJQANCHMSA-N 0 3 452.625 1.193 20 30 JDEDHN C#CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001507576610 1072629840 /nfs/dbraw/zinc/62/98/40/1072629840.db2.gz YTTQWKXTSJGXCD-GBXCKJPGSA-N 0 3 458.607 1.477 20 30 JDEDHN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507623121 1072650181 /nfs/dbraw/zinc/65/01/81/1072650181.db2.gz RTKFUQDZOHPOKG-VQTJNVASSA-N 0 3 478.663 1.411 20 30 JDEDHN C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507627465 1072665825 /nfs/dbraw/zinc/66/58/25/1072665825.db2.gz JLRSFORFMHNVTK-HSZRJFAPSA-N 0 3 495.653 1.471 20 30 JDEDHN C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001507629718 1072674088 /nfs/dbraw/zinc/67/40/88/1072674088.db2.gz OUFIGWWDDKBOCJ-QFIPXVFZSA-N 0 3 484.670 1.908 20 30 JDEDHN C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507630217 1072678526 /nfs/dbraw/zinc/67/85/26/1072678526.db2.gz UURUTZQGSKXHSM-HXUWFJFHSA-N 0 3 452.584 1.928 20 30 JDEDHN C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507631340 1072686808 /nfs/dbraw/zinc/68/68/08/1072686808.db2.gz OJERJLQUFPKKNW-QUCCMNQESA-N 0 3 459.620 1.570 20 30 JDEDHN C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507631342 1072687199 /nfs/dbraw/zinc/68/71/99/1072687199.db2.gz OJERJLQUFPKKNW-UYAOXDASSA-N 0 3 459.620 1.570 20 30 JDEDHN C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507631486 1072687824 /nfs/dbraw/zinc/68/78/24/1072687824.db2.gz QASLQRDSNFSIQX-GOSISDBHSA-N 0 3 457.604 1.484 20 30 JDEDHN C#CCN(c1nnc(-c2noc3c2COCC3)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 ZINC001507631431 1072687895 /nfs/dbraw/zinc/68/78/95/1072687895.db2.gz PMCNVJVEKQZZGR-KRWDZBQOSA-N 0 3 476.603 1.364 20 30 JDEDHN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507631902 1072691551 /nfs/dbraw/zinc/69/15/51/1072691551.db2.gz HAWQKDPVSPWJCK-FHWLQOOXSA-N 0 3 464.636 1.222 20 30 JDEDHN C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507639005 1072723911 /nfs/dbraw/zinc/72/39/11/1072723911.db2.gz IQFFUTVCRUIYOC-HSZRJFAPSA-N 0 3 498.697 1.716 20 30 JDEDHN C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 ZINC001507668880 1072754706 /nfs/dbraw/zinc/75/47/06/1072754706.db2.gz DXWNYANAPNCIFW-NRFANRHFSA-N 0 3 460.648 1.061 20 30 JDEDHN C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(CC(C)C)C1 ZINC001507710917 1072769281 /nfs/dbraw/zinc/76/92/81/1072769281.db2.gz MILZGXRLWYKSJW-VQTJNVASSA-N 0 3 451.637 1.634 20 30 JDEDHN C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCN(CC)CC2)CC1 ZINC001507719281 1072782350 /nfs/dbraw/zinc/78/23/50/1072782350.db2.gz MPLCGGPCANXIRP-VWLOTQADSA-N 0 3 473.666 1.102 20 30 JDEDHN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001507721918 1072787446 /nfs/dbraw/zinc/78/74/46/1072787446.db2.gz NDLQAPQMRRUUKZ-PXNSSMCTSA-N 0 3 477.610 1.086 20 30 JDEDHN C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2nnc(C)[nH]2)CC1 ZINC001507730816 1072799369 /nfs/dbraw/zinc/79/93/69/1072799369.db2.gz VUZJAROQRNKJBQ-SFHVURJKSA-N 0 3 485.593 1.011 20 30 JDEDHN C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001507732543 1072801840 /nfs/dbraw/zinc/80/18/40/1072801840.db2.gz OTJPIKOYXHUEAF-OAQYLSRUSA-N 0 3 469.609 1.777 20 30 JDEDHN C#CCN1CCN(c2nnc(COCC)n2CCCN2CCN(c3ccccc3)CC2)CC1 ZINC001507732621 1072801879 /nfs/dbraw/zinc/80/18/79/1072801879.db2.gz IKAIFLKDADBZRV-UHFFFAOYSA-N 0 3 451.619 1.782 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCN2CC)CC1 ZINC001507733708 1072803165 /nfs/dbraw/zinc/80/31/65/1072803165.db2.gz JCHUKBDXTPTQIA-FQEVSTJZSA-N 0 3 455.607 1.354 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001507737859 1072809611 /nfs/dbraw/zinc/80/96/11/1072809611.db2.gz GLJQTEFFXUJAHM-RTWAWAEBSA-N 0 3 481.576 1.637 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001507737862 1072810021 /nfs/dbraw/zinc/81/00/21/1072810021.db2.gz GLJQTEFFXUJAHM-SFTDATJTSA-N 0 3 481.576 1.637 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001507738472 1072810731 /nfs/dbraw/zinc/81/07/31/1072810731.db2.gz POEUXRCDJKXEJN-HSZRJFAPSA-N 0 3 490.612 1.956 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)CC1 ZINC001507739550 1072813332 /nfs/dbraw/zinc/81/33/32/1072813332.db2.gz RFPIESPIBOGSMJ-TZIWHRDSSA-N 0 3 490.674 1.268 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001507740292 1072815741 /nfs/dbraw/zinc/81/57/41/1072815741.db2.gz KWFNEMRSRKZVNV-HSZRJFAPSA-N 0 3 491.640 1.978 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001507740293 1072815850 /nfs/dbraw/zinc/81/58/50/1072815850.db2.gz KWFNEMRSRKZVNV-QHCPKHFHSA-N 0 3 491.640 1.978 20 30 JDEDHN C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001507847300 1072849461 /nfs/dbraw/zinc/84/94/61/1072849461.db2.gz JNMXLLLTUJLIGK-NRFANRHFSA-N 0 3 459.639 1.598 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001508079570 1072879257 /nfs/dbraw/zinc/87/92/57/1072879257.db2.gz ZJMMPXXKDOVCEB-UHFFFAOYSA-N 0 3 473.585 1.916 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)CC1 ZINC001508081352 1072880575 /nfs/dbraw/zinc/88/05/75/1072880575.db2.gz XKOXUASVVHSSKZ-UHFFFAOYSA-N 0 3 474.635 1.318 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001508093705 1072889145 /nfs/dbraw/zinc/88/91/45/1072889145.db2.gz WNXYTULEXRBBPB-FQEVSTJZSA-N 0 3 465.558 1.189 20 30 JDEDHN C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508109485 1072896637 /nfs/dbraw/zinc/89/66/37/1072896637.db2.gz SJGZSFFPQQWYEK-VQTJNVASSA-N 0 3 473.622 1.238 20 30 JDEDHN C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508116694 1072897612 /nfs/dbraw/zinc/89/76/12/1072897612.db2.gz IHCSXMKYQUWQBQ-ICSRJNTNSA-N 0 3 454.579 1.459 20 30 JDEDHN C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508135822 1072908840 /nfs/dbraw/zinc/90/88/40/1072908840.db2.gz MNLAQVOVABOSLM-HXUWFJFHSA-N 0 3 472.615 1.289 20 30 JDEDHN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCCCC2)C1 ZINC001508140991 1072915354 /nfs/dbraw/zinc/91/53/54/1072915354.db2.gz KTBORMONXUCYPR-MSOLQXFVSA-N 0 3 450.609 1.142 20 30 JDEDHN C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508148013 1072927162 /nfs/dbraw/zinc/92/71/62/1072927162.db2.gz PDEHNWYBXPLRNZ-GOSISDBHSA-N 0 3 484.630 1.587 20 30 JDEDHN C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001508160712 1072931646 /nfs/dbraw/zinc/93/16/46/1072931646.db2.gz HYNFWBNEUMWYQO-BZSNNMDCSA-N 0 3 472.681 1.449 20 30 JDEDHN CC(C)(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001508593869 1073283215 /nfs/dbraw/zinc/28/32/15/1073283215.db2.gz GMUBOESGOIFJSW-DQRAZIAOSA-N 0 3 471.606 1.694 20 30 JDEDHN CC(C)Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001509260062 1073551119 /nfs/dbraw/zinc/55/11/19/1073551119.db2.gz ULXIZDAICYQREX-KHOFPDMRSA-N 0 3 457.579 1.162 20 30 JDEDHN CNC(=O)CN1CCOC[C@]2(CCCN(c3nccnc3C(C#N)C(=O)OC(C)(C)C)C2)C1 ZINC001164722775 720299211 /nfs/dbraw/zinc/29/92/11/720299211.db2.gz ROQXJJDBOOPKBY-GAJHUEQPSA-N 0 3 458.563 1.090 20 30 JDEDHN CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001501401458 1069511032 /nfs/dbraw/zinc/51/10/32/1069511032.db2.gz SHNLIMUHSZWVTO-UHFFFAOYSA-N 0 3 464.574 1.039 20 30 JDEDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC001476007810 1069588106 /nfs/dbraw/zinc/58/81/06/1069588106.db2.gz ZDFRPEJUOKOQMO-VGLIXDPASA-N 0 3 450.565 1.083 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 ZINC001501901284 1069765724 /nfs/dbraw/zinc/76/57/24/1069765724.db2.gz KUIHRKYBAPIMCU-UHFFFAOYSA-N 0 3 494.600 1.649 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1 ZINC001501910085 1069799918 /nfs/dbraw/zinc/79/99/18/1069799918.db2.gz NMSYTPFQHDHLKF-UHFFFAOYSA-N 0 3 491.600 1.501 20 30 JDEDHN CN1CCN(Cc2cccc(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2)CC1 ZINC001477771650 1069856235 /nfs/dbraw/zinc/85/62/35/1069856235.db2.gz IOAQYZMXHXMWKK-RTWAWAEBSA-N 0 3 456.591 1.992 20 30 JDEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001502250082 1069932985 /nfs/dbraw/zinc/93/29/85/1069932985.db2.gz TXPVMIXBHREBDB-ZWKOTPCHSA-N 0 3 460.604 1.797 20 30 JDEDHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC001502259829 1069959485 /nfs/dbraw/zinc/95/94/85/1069959485.db2.gz QXLHRUMTKUWENI-JOTDFLBESA-N 0 3 464.574 1.709 20 30 JDEDHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC001502259832 1069960193 /nfs/dbraw/zinc/96/01/93/1069960193.db2.gz QXLHRUMTKUWENI-ZTHCVNGTSA-N 0 3 464.574 1.709 20 30 JDEDHN Cc1ccc(-n2nc(CCCNC(=O)NCCN3CCN(C)C(C)(C)C3)c(C#N)c2N)cc1 ZINC001478519447 1070011314 /nfs/dbraw/zinc/01/13/14/1070011314.db2.gz BQJLOKQFMJTTDZ-UHFFFAOYSA-N 0 3 452.607 1.892 20 30 JDEDHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001502292382 1070033790 /nfs/dbraw/zinc/03/37/90/1070033790.db2.gz QKTCFCFSIOGQPX-IBGZPJMESA-N 0 3 482.637 1.531 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502314470 1070093849 /nfs/dbraw/zinc/09/38/49/1070093849.db2.gz WCRBGKCAOYIOHH-QZTJIDSGSA-N 0 3 459.545 1.902 20 30 JDEDHN CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H]1C ZINC001502331186 1070166363 /nfs/dbraw/zinc/16/63/63/1070166363.db2.gz KVLTYSLINYLIJU-HXUWFJFHSA-N 0 3 453.591 1.981 20 30 JDEDHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001502338773 1070217473 /nfs/dbraw/zinc/21/74/73/1070217473.db2.gz ZPPPIMWPTVCMNO-JPYJTQIMSA-N 0 3 469.569 1.641 20 30 JDEDHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 ZINC001502342818 1070232502 /nfs/dbraw/zinc/23/25/02/1070232502.db2.gz FFPGTEHTXKNSSF-OAQYLSRUSA-N 0 3 496.708 1.990 20 30 JDEDHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502347115 1070261421 /nfs/dbraw/zinc/26/14/21/1070261421.db2.gz UXBPMIAOXPUXNF-FQEVSTJZSA-N 0 3 494.644 1.704 20 30 JDEDHN CCN1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001502354444 1070282278 /nfs/dbraw/zinc/28/22/78/1070282278.db2.gz JBWJDUABMYKUMM-LJQANCHMSA-N 0 3 473.647 1.972 20 30 JDEDHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001502358715 1070296455 /nfs/dbraw/zinc/29/64/55/1070296455.db2.gz PHSYGWCVYXEETN-FQEVSTJZSA-N 0 3 463.652 1.338 20 30 JDEDHN CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCOC1 ZINC001502728397 1070838639 /nfs/dbraw/zinc/83/86/39/1070838639.db2.gz HRPHTTSNQFCXRY-PQNGQFLHSA-N 0 3 470.574 1.970 20 30 JDEDHN CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCOC1 ZINC001502728395 1070838674 /nfs/dbraw/zinc/83/86/74/1070838674.db2.gz HRPHTTSNQFCXRY-AWRGLXIESA-N 0 3 470.574 1.970 20 30 JDEDHN CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001503283066 1071442992 /nfs/dbraw/zinc/44/29/92/1071442992.db2.gz XQZPGILNNPXRKS-UHFFFAOYSA-N 0 3 497.629 1.202 20 30 JDEDHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CCC(C)(C#N)CC1 ZINC001503361687 1071578809 /nfs/dbraw/zinc/57/88/09/1071578809.db2.gz XWLCRJAPVKFLCG-IBGZPJMESA-N 0 3 451.579 1.808 20 30 JDEDHN CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CCOCC1 ZINC001503385535 1071642738 /nfs/dbraw/zinc/64/27/38/1071642738.db2.gz LBSMFOLFEPKIGD-UHFFFAOYSA-N 0 3 472.615 1.941 20 30 JDEDHN CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CC=CCC2)c1 ZINC001503408035 1071689300 /nfs/dbraw/zinc/68/93/00/1071689300.db2.gz ARELSPPHWMAUDL-JOCHJYFZSA-N 0 3 473.578 1.899 20 30 JDEDHN COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001504895844 1071820933 /nfs/dbraw/zinc/82/09/33/1071820933.db2.gz IAQDVDCPYDAEJZ-NRFANRHFSA-N 0 3 453.591 1.980 20 30 JDEDHN COCCO[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccc(C#N)o1 ZINC001504941906 1071984758 /nfs/dbraw/zinc/98/47/58/1071984758.db2.gz BWDIKQUCYGANND-YYDVJCTNSA-N 0 3 499.616 1.894 20 30 JDEDHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 ZINC001503683976 1072017348 /nfs/dbraw/zinc/01/73/48/1072017348.db2.gz XWRONLQMSFOTDM-NRFANRHFSA-N 0 3 451.575 1.722 20 30 JDEDHN CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC001464899734 1067691686 /nfs/dbraw/zinc/69/16/86/1067691686.db2.gz DRWXLVPUEOJHRS-LJQANCHMSA-N 0 3 450.605 1.853 20 30 JDEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001466133197 1067863621 /nfs/dbraw/zinc/86/36/21/1067863621.db2.gz SBSKSGFMAHJMBE-XJABCFGWSA-N 0 3 456.568 1.224 20 30 JDEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC001467727514 1068057909 /nfs/dbraw/zinc/05/79/09/1068057909.db2.gz JRHIEGIPNBSISX-UHFFFAOYSA-N 0 3 454.568 1.258 20 30 JDEDHN C=CC[C@@]1(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)CCCN1C(=O)OC(C)(C)C ZINC001468667787 1068341533 /nfs/dbraw/zinc/34/15/33/1068341533.db2.gz BMELPDLRJPMATM-MBSDFSHPSA-N 0 3 452.596 1.628 20 30 JDEDHN C=CC[C@@]1(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)CCCN1C(=O)OC(C)(C)C ZINC001468667784 1068341798 /nfs/dbraw/zinc/34/17/98/1068341798.db2.gz BMELPDLRJPMATM-JPYJTQIMSA-N 0 3 452.596 1.628 20 30 JDEDHN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(Cc3ccccc3)CCOCC2)c1 ZINC001472130549 1068955807 /nfs/dbraw/zinc/95/58/07/1068955807.db2.gz AGBMXSHKACUJKB-UHFFFAOYSA-N 0 3 455.580 1.963 20 30 JDEDHN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC001472538976 1069027339 /nfs/dbraw/zinc/02/73/39/1069027339.db2.gz ANMICUJQKKKKAH-GOSISDBHSA-N 0 3 459.572 1.646 20 30 JDEDHN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC001472593598 1069036312 /nfs/dbraw/zinc/03/63/12/1069036312.db2.gz FDIMXDVBGOHYQE-YADHBBJMSA-N 0 3 454.552 1.338 20 30 JDEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C3CCN(C(=O)c4ccccc4)CC3)CC2)o1 ZINC001473261929 1069110272 /nfs/dbraw/zinc/11/02/72/1069110272.db2.gz NVQUMHQJVLOURO-UHFFFAOYSA-N 0 3 450.543 1.740 20 30 JDEDHN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001507539367 1072604760 /nfs/dbraw/zinc/60/47/60/1072604760.db2.gz VHBKMXNHPAETGF-GBESFXJTSA-N 0 3 492.671 1.968 20 30 JDEDHN C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507622265 1072646603 /nfs/dbraw/zinc/64/66/03/1072646603.db2.gz CPXXFXCXOISBIJ-VQTJNVASSA-N 0 3 476.647 1.405 20 30 JDEDHN C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507622266 1072646667 /nfs/dbraw/zinc/64/66/67/1072646667.db2.gz CPXXFXCXOISBIJ-WOJBJXKFSA-N 0 3 476.647 1.405 20 30 JDEDHN C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507630651 1072682115 /nfs/dbraw/zinc/68/21/15/1072682115.db2.gz FAJVYNZABBBOHT-HXUWFJFHSA-N 0 3 459.620 1.427 20 30 JDEDHN C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507634811 1072709229 /nfs/dbraw/zinc/70/92/29/1072709229.db2.gz NLBPEUDYVFOXQC-FPOVZHCZSA-N 0 3 456.616 1.623 20 30 JDEDHN C#CCN(c1nnc(CC)n1CC1(N2CCC(OC)CC2)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507635344 1072712718 /nfs/dbraw/zinc/71/27/18/1072712718.db2.gz VTPDSYYMKDGWDE-IBGZPJMESA-N 0 3 463.648 1.891 20 30 JDEDHN C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001507660459 1072749746 /nfs/dbraw/zinc/74/97/46/1072749746.db2.gz UPLIDZVEIVDYEY-GMAHTHKFSA-N 0 3 498.653 1.642 20 30 JDEDHN C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001507680183 1072758739 /nfs/dbraw/zinc/75/87/39/1072758739.db2.gz ZAGVWEYPCQSVEF-GOSISDBHSA-N 0 3 474.631 1.353 20 30 JDEDHN C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001507680184 1072758819 /nfs/dbraw/zinc/75/88/19/1072758819.db2.gz ZAGVWEYPCQSVEF-SFHVURJKSA-N 0 3 474.631 1.353 20 30 JDEDHN C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(CC(C)C)C1 ZINC001507710918 1072769514 /nfs/dbraw/zinc/76/95/14/1072769514.db2.gz MILZGXRLWYKSJW-WOJBJXKFSA-N 0 3 451.637 1.634 20 30 JDEDHN C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001507720625 1072783841 /nfs/dbraw/zinc/78/38/41/1072783841.db2.gz VEEBWJSMWGEQEI-RUZDIDTESA-N 0 3 473.666 1.100 20 30 JDEDHN C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCN(C)CCOC)CC1 ZINC001507723642 1072791891 /nfs/dbraw/zinc/79/18/91/1072791891.db2.gz PIOFBPBREVNSSJ-UHFFFAOYSA-N 0 3 492.628 1.569 20 30 JDEDHN C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001507727773 1072795745 /nfs/dbraw/zinc/79/57/45/1072795745.db2.gz TYSCZPUTWGSXAH-DEOSSOPVSA-N 0 3 493.656 1.863 20 30 JDEDHN C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001507727842 1072796258 /nfs/dbraw/zinc/79/62/58/1072796258.db2.gz TYSCZPUTWGSXAH-XMMPIXPASA-N 0 3 493.656 1.863 20 30 JDEDHN C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001507732541 1072801865 /nfs/dbraw/zinc/80/18/65/1072801865.db2.gz OTJPIKOYXHUEAF-NRFANRHFSA-N 0 3 469.609 1.777 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc3C2)CC1 ZINC001507733499 1072802677 /nfs/dbraw/zinc/80/26/77/1072802677.db2.gz AQWWLIHVJBRGQE-UHFFFAOYSA-N 0 3 491.640 1.831 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001507737180 1072808443 /nfs/dbraw/zinc/80/84/43/1072808443.db2.gz ZKHCITYZYZAHRZ-FPOVZHCZSA-N 0 3 471.650 1.700 20 30 JDEDHN C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001507751523 1072824187 /nfs/dbraw/zinc/82/41/87/1072824187.db2.gz OYRXATFWNNTZLY-FQEVSTJZSA-N 0 3 496.703 1.432 20 30 JDEDHN C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001507751524 1072824199 /nfs/dbraw/zinc/82/41/99/1072824199.db2.gz OYRXATFWNNTZLY-HXUWFJFHSA-N 0 3 496.703 1.432 20 30 JDEDHN C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001507756018 1072826082 /nfs/dbraw/zinc/82/60/82/1072826082.db2.gz KLMOGTKCQROSFT-HXUWFJFHSA-N 0 3 453.616 1.373 20 30 JDEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001507790789 1072834937 /nfs/dbraw/zinc/83/49/37/1072834937.db2.gz DAWZUSJTVSFYBF-RTWAWAEBSA-N 0 3 460.623 1.946 20 30 JDEDHN C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001507952589 1072859114 /nfs/dbraw/zinc/85/91/14/1072859114.db2.gz VXNDPJUEZJBWIB-UHFFFAOYSA-N 0 3 471.631 1.980 20 30 JDEDHN C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001507959524 1072860698 /nfs/dbraw/zinc/86/06/98/1072860698.db2.gz DRZYQHKPQDNBAA-KNQAVFIVSA-N 0 3 470.622 1.650 20 30 JDEDHN C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001507959518 1072860775 /nfs/dbraw/zinc/86/07/75/1072860775.db2.gz DRZYQHKPQDNBAA-DENIHFKCSA-N 0 3 470.622 1.650 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508072207 1072873605 /nfs/dbraw/zinc/87/36/05/1072873605.db2.gz CMTNBAMVUOFAJQ-UHFFFAOYSA-N 0 3 459.982 1.844 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001508072287 1072873947 /nfs/dbraw/zinc/87/39/47/1072873947.db2.gz IRUGTXCAMMLGGO-UHFFFAOYSA-N 0 3 489.646 1.418 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC2CC2)CC1 ZINC001508073137 1072874935 /nfs/dbraw/zinc/87/49/35/1072874935.db2.gz MDQZYNJUFXAEGA-UHFFFAOYSA-N 0 3 487.630 1.030 20 30 JDEDHN C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001508085264 1072882285 /nfs/dbraw/zinc/88/22/85/1072882285.db2.gz FYCWPQAAYLMXQM-LJQANCHMSA-N 0 3 454.575 1.338 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001508088550 1072884623 /nfs/dbraw/zinc/88/46/23/1072884623.db2.gz SRFLVOFYZJOFPY-UHFFFAOYSA-N 0 3 450.547 1.817 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508092594 1072888281 /nfs/dbraw/zinc/88/82/81/1072888281.db2.gz DAHNLWLPVDINEF-HXUWFJFHSA-N 0 3 485.564 1.041 20 30 JDEDHN C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCN(CC)CC2)C1 ZINC001508107639 1072895908 /nfs/dbraw/zinc/89/59/08/1072895908.db2.gz DLVVEODLLKMIMO-RTWAWAEBSA-N 0 3 459.639 1.569 20 30 JDEDHN C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 ZINC001508107640 1072896151 /nfs/dbraw/zinc/89/61/51/1072896151.db2.gz DLVVEODLLKMIMO-SFTDATJTSA-N 0 3 459.639 1.569 20 30 JDEDHN C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC001508141787 1072916718 /nfs/dbraw/zinc/91/67/18/1072916718.db2.gz ONFCRYHIVBIKIO-FQEVSTJZSA-N 0 3 480.679 1.378 20 30 JDEDHN C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 ZINC001508163959 1072933271 /nfs/dbraw/zinc/93/32/71/1072933271.db2.gz XHXIQQRNVGFLMX-IBGZPJMESA-N 0 3 484.692 1.595 20 30 JDEDHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCNC(=O)C1N=CC=CC1=O ZINC001509003557 1073472419 /nfs/dbraw/zinc/47/24/19/1073472419.db2.gz RHCGLOXTPORBIF-SLNYWTKHSA-N 0 3 457.579 1.617 20 30 JDEDHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001509406942 1073586327 /nfs/dbraw/zinc/58/63/27/1073586327.db2.gz IGKOXVMMXSPHAU-OTWHNJEPSA-N 0 3 450.609 1.277 20 30 JDEDHN COCCN1CCN(C)C2(CCN(c3nccnc3C(C#N)C(=O)OC(C)(C)C)CC2)C1=O ZINC001164644498 719283023 /nfs/dbraw/zinc/28/30/23/719283023.db2.gz MEIRYWKXAKBLMJ-KRWDZBQOSA-N 0 3 458.563 1.185 20 30 JDEDHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001164707454 719874423 /nfs/dbraw/zinc/87/44/23/719874423.db2.gz STGFQEUWIDJIDS-QZMQVMSPSA-N 0 3 459.547 1.658 20 30 JDEDHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2 ZINC001164832624 720476153 /nfs/dbraw/zinc/47/61/53/720476153.db2.gz KJAWIPFCXTWVMS-OALUTQOASA-N 0 3 497.600 1.612 20 30 JDEDHN CN1CCC(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)(N2CCOCC2)CC1 ZINC001475390966 1069457749 /nfs/dbraw/zinc/45/77/49/1069457749.db2.gz GRBZRJGASRSCCU-UHFFFAOYSA-N 0 3 457.394 1.396 20 30 JDEDHN CN1CCC(CNS(=O)(=O)c2cc(Br)ccc2C#N)(N2CCOCC2)CC1 ZINC001475391766 1069457941 /nfs/dbraw/zinc/45/79/41/1069457941.db2.gz QYRDGFZWTRMFRP-UHFFFAOYSA-N 0 3 457.394 1.396 20 30 JDEDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC001476007811 1069587802 /nfs/dbraw/zinc/58/78/02/1069587802.db2.gz ZDFRPEJUOKOQMO-YUCJCZDXSA-N 0 3 450.565 1.083 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 ZINC001501901184 1069763482 /nfs/dbraw/zinc/76/34/82/1069763482.db2.gz HTGGSUNLLPYZGW-DEOSSOPVSA-N 0 3 483.642 1.675 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 ZINC001501901565 1069768613 /nfs/dbraw/zinc/76/86/13/1069768613.db2.gz TUJVLNRXFQDYQZ-UHFFFAOYSA-N 0 3 462.562 1.099 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 ZINC001501901724 1069768670 /nfs/dbraw/zinc/76/86/70/1069768670.db2.gz XKOJKALNMCHVSN-UHFFFAOYSA-N 0 3 461.574 1.589 20 30 JDEDHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 ZINC001501906844 1069790799 /nfs/dbraw/zinc/79/07/99/1069790799.db2.gz PBKZCACRFANVCD-UHFFFAOYSA-N 0 3 462.558 1.767 20 30 JDEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C ZINC001502252445 1069935215 /nfs/dbraw/zinc/93/52/15/1069935215.db2.gz YCAKDJBCORENAE-ROUUACIJSA-N 0 3 498.613 1.843 20 30 JDEDHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502264250 1069971705 /nfs/dbraw/zinc/97/17/05/1069971705.db2.gz WYMOOGVSDNDZTF-IAGOWNOFSA-N 0 3 461.592 1.197 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310483 1070074854 /nfs/dbraw/zinc/07/48/54/1070074854.db2.gz AFDYRRSWRKFQAX-RXVVDRJESA-N 0 3 450.591 1.544 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502311061 1070076976 /nfs/dbraw/zinc/07/69/76/1070076976.db2.gz LSWKGAXQQIDGNF-FXAWDEMLSA-N 0 3 454.535 1.608 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001502311785 1070080430 /nfs/dbraw/zinc/08/04/30/1070080430.db2.gz ZJLOKLBJWHJKTO-FQEVSTJZSA-N 0 3 480.617 1.138 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502315246 1070099057 /nfs/dbraw/zinc/09/90/57/1070099057.db2.gz JTXLBABDJCAEAN-LJQANCHMSA-N 0 3 480.617 1.456 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502315596 1070102043 /nfs/dbraw/zinc/10/20/43/1070102043.db2.gz QZBAYWOJKZGWJT-HXUWFJFHSA-N 0 3 496.616 1.643 20 30 JDEDHN CCN1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001502338777 1070217013 /nfs/dbraw/zinc/21/70/13/1070217013.db2.gz ZPPPIMWPTVCMNO-MBSDFSHPSA-N 0 3 469.569 1.641 20 30 JDEDHN CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001502355250 1070285552 /nfs/dbraw/zinc/28/55/52/1070285552.db2.gz VJNYKMGTZRDHMU-OAQYLSRUSA-N 0 3 471.631 1.468 20 30 JDEDHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001502358717 1070295549 /nfs/dbraw/zinc/29/55/49/1070295549.db2.gz PHSYGWCVYXEETN-HXUWFJFHSA-N 0 3 463.652 1.338 20 30 JDEDHN COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001504041653 1070800832 /nfs/dbraw/zinc/80/08/32/1070800832.db2.gz JTPFCMKAYQWSAR-NRFANRHFSA-N 0 3 481.601 1.897 20 30 JDEDHN CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)Cc2ccc(F)cc2)CCOC1 ZINC001502729005 1070839300 /nfs/dbraw/zinc/83/93/00/1070839300.db2.gz KRRULSISQFARSV-REWPJTCUSA-N 0 3 458.538 1.930 20 30 JDEDHN CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001503104392 1071056102 /nfs/dbraw/zinc/05/61/02/1071056102.db2.gz UBXOXCPUOKLEFT-OAQYLSRUSA-N 0 3 495.632 1.351 20 30 JDEDHN CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503300711 1071519069 /nfs/dbraw/zinc/51/90/69/1071519069.db2.gz BWNOFHXJXAUMQB-PGUFJCEWSA-N 0 3 499.641 1.242 20 30 JDEDHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 ZINC001503357007 1071556598 /nfs/dbraw/zinc/55/65/98/1071556598.db2.gz DEHLAHKUJGMRNY-FQEVSTJZSA-N 0 3 470.622 1.473 20 30 JDEDHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001503360201 1071573083 /nfs/dbraw/zinc/57/30/83/1071573083.db2.gz PFGAVEOJBBRAGT-CYFREDJKSA-N 0 3 470.622 1.587 20 30 JDEDHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001503360723 1071574282 /nfs/dbraw/zinc/57/42/82/1071574282.db2.gz QZQCKRRPDYEPRV-IEGUWTFLSA-N 0 3 456.595 1.302 20 30 JDEDHN CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503367360 1071594918 /nfs/dbraw/zinc/59/49/18/1071594918.db2.gz MKINZXKEOUZQAL-FQEVSTJZSA-N 0 3 467.574 1.366 20 30 JDEDHN COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001504857630 1071777438 /nfs/dbraw/zinc/77/74/38/1071777438.db2.gz NRIZWVGCVYFJLR-SFHVURJKSA-N 0 3 459.545 1.902 20 30 JDEDHN COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001504858389 1071783637 /nfs/dbraw/zinc/78/36/37/1071783637.db2.gz BDXDVDWQKJEHFQ-UHFFFAOYSA-N 0 3 469.546 1.386 20 30 JDEDHN CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CCCO ZINC001503478180 1071798130 /nfs/dbraw/zinc/79/81/30/1071798130.db2.gz XSUHUKQCSAKPMB-OAQYLSRUSA-N 0 3 451.575 1.869 20 30 JDEDHN COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001504895852 1071821156 /nfs/dbraw/zinc/82/11/56/1071821156.db2.gz IAQDVDCPYDAEJZ-OAQYLSRUSA-N 0 3 453.591 1.980 20 30 JDEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 ZINC001503683980 1072016883 /nfs/dbraw/zinc/01/68/83/1072016883.db2.gz XWRONLQMSFOTDM-OAQYLSRUSA-N 0 3 451.575 1.722 20 30 JDEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001466133196 1067863759 /nfs/dbraw/zinc/86/37/59/1067863759.db2.gz SBSKSGFMAHJMBE-WEYGHZABSA-N 0 3 456.568 1.224 20 30 JDEDHN C#CCN(C)CCCNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC001468546377 1068310489 /nfs/dbraw/zinc/31/04/89/1068310489.db2.gz TXVYATKQUFLHLG-UHFFFAOYSA-N 0 3 458.378 1.155 20 30 JDEDHN C[C@@H](CC(=O)Nc1ccc(CN2CCN(C)CC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001472488481 1069015420 /nfs/dbraw/zinc/01/54/20/1069015420.db2.gz HLKFTZRSJYMUCD-KRWDZBQOSA-N 0 3 455.584 1.890 20 30 JDEDHN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC001472593597 1069036280 /nfs/dbraw/zinc/03/62/80/1069036280.db2.gz FDIMXDVBGOHYQE-VXKWHMMOSA-N 0 3 454.552 1.338 20 30 JDEDHN CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CCN1CCOC ZINC001500248788 1069221897 /nfs/dbraw/zinc/22/18/97/1069221897.db2.gz CRFBFJFICGJQFZ-ZJSXRUAMSA-N 0 3 454.575 1.905 20 30 JDEDHN C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001507536482 1072598755 /nfs/dbraw/zinc/59/87/55/1072598755.db2.gz DYSSCZVEUKHSMK-PZJWPPBQSA-N 0 3 462.602 1.917 20 30 JDEDHN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001507539369 1072604871 /nfs/dbraw/zinc/60/48/71/1072604871.db2.gz VHBKMXNHPAETGF-OTWHNJEPSA-N 0 3 492.671 1.968 20 30 JDEDHN C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCC2)c1 ZINC001507551761 1072613953 /nfs/dbraw/zinc/61/39/53/1072613953.db2.gz YUBFMAGNZSUXLL-PZJWPPBQSA-N 0 3 498.653 1.968 20 30 JDEDHN C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001507558928 1072619569 /nfs/dbraw/zinc/61/95/69/1072619569.db2.gz ZHVLIEYPZUVUAU-SVFBPWRDSA-N 0 3 493.678 1.071 20 30 JDEDHN C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507622263 1072646440 /nfs/dbraw/zinc/64/64/40/1072646440.db2.gz CPXXFXCXOISBIJ-PMACEKPBSA-N 0 3 476.647 1.405 20 30 JDEDHN C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507625329 1072658007 /nfs/dbraw/zinc/65/80/07/1072658007.db2.gz ICABLCRMNGMUHB-RDPSFJRHSA-N 0 3 493.674 1.820 20 30 JDEDHN C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507629716 1072674167 /nfs/dbraw/zinc/67/41/67/1072674167.db2.gz OUFIGWWDDKBOCJ-JOCHJYFZSA-N 0 3 484.670 1.908 20 30 JDEDHN C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507630216 1072678173 /nfs/dbraw/zinc/67/81/73/1072678173.db2.gz UURUTZQGSKXHSM-FQEVSTJZSA-N 0 3 452.584 1.928 20 30 JDEDHN C#CCN(c1nnc(CN2CCCC2=O)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507639980 1072729100 /nfs/dbraw/zinc/72/91/00/1072729100.db2.gz NROGIIFYTKGINY-HXUWFJFHSA-N 0 3 476.647 1.292 20 30 JDEDHN C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCN1CCN(C)C(C)(C)C1 ZINC001507710607 1072769388 /nfs/dbraw/zinc/76/93/88/1072769388.db2.gz RNDJTSMNZWFART-UHFFFAOYSA-N 0 3 492.628 1.304 20 30 JDEDHN C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(CC(C)C)C1 ZINC001507710912 1072769546 /nfs/dbraw/zinc/76/95/46/1072769546.db2.gz MILZGXRLWYKSJW-PMACEKPBSA-N 0 3 451.637 1.634 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001507737182 1072808526 /nfs/dbraw/zinc/80/85/26/1072808526.db2.gz ZKHCITYZYZAHRZ-TZIWHRDSSA-N 0 3 471.650 1.700 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)CC1 ZINC001507738917 1072811972 /nfs/dbraw/zinc/81/19/72/1072811972.db2.gz HXFJLQCTXFIGGN-IBGZPJMESA-N 0 3 476.647 1.020 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001507739689 1072814313 /nfs/dbraw/zinc/81/43/13/1072814313.db2.gz UIKBCLYIPAXMBS-FQEVSTJZSA-N 0 3 457.667 1.859 20 30 JDEDHN C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001507741422 1072818788 /nfs/dbraw/zinc/81/87/88/1072818788.db2.gz SFOSEUUPQIKEPZ-PZJWPPBQSA-N 0 3 487.674 1.259 20 30 JDEDHN C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001507751070 1072823459 /nfs/dbraw/zinc/82/34/59/1072823459.db2.gz JRRMVEVOFWJLMX-HMXCVIKNSA-N 0 3 460.648 1.527 20 30 JDEDHN C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001507782876 1072832780 /nfs/dbraw/zinc/83/27/80/1072832780.db2.gz BCJYGBUEIQNJHI-KRWDZBQOSA-N 0 3 460.380 1.992 20 30 JDEDHN C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001507783856 1072833029 /nfs/dbraw/zinc/83/30/29/1072833029.db2.gz XMJPBHGPBLTVHT-MRXNPFEDSA-N 0 3 461.368 1.387 20 30 JDEDHN C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001507789675 1072834657 /nfs/dbraw/zinc/83/46/57/1072834657.db2.gz HVJSWZYGWQVSQR-MRXNPFEDSA-N 0 3 467.412 1.999 20 30 JDEDHN C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001507801957 1072839210 /nfs/dbraw/zinc/83/92/10/1072839210.db2.gz ZLVKNDZBNXLATF-DENIHFKCSA-N 0 3 470.622 1.650 20 30 JDEDHN C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001507801959 1072839255 /nfs/dbraw/zinc/83/92/55/1072839255.db2.gz ZLVKNDZBNXLATF-SIKLNZKXSA-N 0 3 470.622 1.650 20 30 JDEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001507801958 1072839305 /nfs/dbraw/zinc/83/93/05/1072839305.db2.gz ZLVKNDZBNXLATF-KNQAVFIVSA-N 0 3 470.622 1.650 20 30 JDEDHN C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001507853293 1072850517 /nfs/dbraw/zinc/85/05/17/1072850517.db2.gz DORAJAWVFMOKBS-UHFFFAOYSA-N 0 3 458.954 1.422 20 30 JDEDHN C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001507854707 1072850917 /nfs/dbraw/zinc/85/09/17/1072850917.db2.gz PRVWVALERKLVFX-UHFFFAOYSA-N 0 3 452.003 1.693 20 30 JDEDHN C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001507915539 1072855685 /nfs/dbraw/zinc/85/56/85/1072855685.db2.gz CEUWQSMXTUEPOO-LJQANCHMSA-N 0 3 478.663 1.527 20 30 JDEDHN C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001507935482 1072857859 /nfs/dbraw/zinc/85/78/59/1072857859.db2.gz QINRQBLQHICJHQ-QYZOEREBSA-N 0 3 454.641 1.886 20 30 JDEDHN C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCN1CCN(C)C(C)(C)C1 ZINC001508041178 1072869025 /nfs/dbraw/zinc/86/90/25/1072869025.db2.gz HWMWWSLNPBTBAP-UHFFFAOYSA-N 0 3 494.644 1.857 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001508078846 1072878417 /nfs/dbraw/zinc/87/84/17/1072878417.db2.gz KHWKXAMORLWWRY-SFHVURJKSA-N 0 3 470.574 1.423 20 30 JDEDHN C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001508085278 1072882262 /nfs/dbraw/zinc/88/22/62/1072882262.db2.gz GMFGMYZBWSZQQC-JOCHJYFZSA-N 0 3 451.619 1.696 20 30 JDEDHN C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001508088145 1072884282 /nfs/dbraw/zinc/88/42/82/1072884282.db2.gz WGSGTOPIHZQXGW-IBGZPJMESA-N 0 3 468.602 1.869 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001508095340 1072890950 /nfs/dbraw/zinc/89/09/50/1072890950.db2.gz WLKCDMNGZVRMQT-GOSISDBHSA-N 0 3 472.565 1.988 20 30 JDEDHN C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001508097116 1072892164 /nfs/dbraw/zinc/89/21/64/1072892164.db2.gz MTAHYUJWVXQWAE-QFIPXVFZSA-N 0 3 495.628 1.772 20 30 JDEDHN C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508135820 1072908636 /nfs/dbraw/zinc/90/86/36/1072908636.db2.gz MNLAQVOVABOSLM-FQEVSTJZSA-N 0 3 472.615 1.289 20 30 JDEDHN C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508137668 1072911829 /nfs/dbraw/zinc/91/18/29/1072911829.db2.gz PMHZTFQHZLDHPH-HXUWFJFHSA-N 0 3 490.605 1.428 20 30 JDEDHN C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508137667 1072911892 /nfs/dbraw/zinc/91/18/92/1072911892.db2.gz PMHZTFQHZLDHPH-FQEVSTJZSA-N 0 3 490.605 1.428 20 30 JDEDHN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCCCC2)C1 ZINC001508140996 1072915372 /nfs/dbraw/zinc/91/53/72/1072915372.db2.gz KTBORMONXUCYPR-QZTJIDSGSA-N 0 3 450.609 1.142 20 30 JDEDHN CC(C)(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001508593875 1073283414 /nfs/dbraw/zinc/28/34/14/1073283414.db2.gz GMUBOESGOIFJSW-QURGRASLSA-N 0 3 471.606 1.694 20 30 JDEDHN CC(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001509015205 1073479036 /nfs/dbraw/zinc/47/90/36/1073479036.db2.gz SIRJGINDHBQVFR-LSDHQDQOSA-N 0 3 457.579 1.477 20 30 JDEDHN CC(C)Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001509260065 1073551175 /nfs/dbraw/zinc/55/11/75/1073551175.db2.gz ULXIZDAICYQREX-UGNPLGLKSA-N 0 3 457.579 1.162 20 30 JDEDHN CC(C)Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001509262110 1073551239 /nfs/dbraw/zinc/55/12/39/1073551239.db2.gz ULXIZDAICYQREX-ZREAOVPFSA-N 0 3 457.579 1.162 20 30 JDEDHN COCCN1CCN(C)C2(CCN(c3nccnc3C(C#N)C(=O)OC(C)(C)C)CC2)C1=O ZINC001164644499 719283123 /nfs/dbraw/zinc/28/31/23/719283123.db2.gz MEIRYWKXAKBLMJ-QGZVFWFLSA-N 0 3 458.563 1.185 20 30 JDEDHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2 ZINC001164832625 720476556 /nfs/dbraw/zinc/47/65/56/720476556.db2.gz KJAWIPFCXTWVMS-RBUKOAKNSA-N 0 3 497.600 1.612 20 30 JDEDHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2 ZINC001164832626 720476987 /nfs/dbraw/zinc/47/69/87/720476987.db2.gz KJAWIPFCXTWVMS-RTBURBONSA-N 0 3 497.600 1.612 20 30 JDEDHN COc1cc(OC)nc(CN2CCN(c3nccnc3C(C#N)C(=O)OC(C)(C)C)CC2)n1 ZINC001165029454 721851020 /nfs/dbraw/zinc/85/10/20/721851020.db2.gz KGDYUHZEFRXHOO-OAHLLOKOSA-N 0 3 455.519 1.555 20 30 JDEDHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001500790781 1069315197 /nfs/dbraw/zinc/31/51/97/1069315197.db2.gz YMOSDXIIEDIXRC-HXUWFJFHSA-N 0 3 486.646 1.505 20 30 JDEDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC001476007809 1069588165 /nfs/dbraw/zinc/58/81/65/1069588165.db2.gz ZDFRPEJUOKOQMO-JOJWKMGHSA-N 0 3 450.565 1.083 20 30 JDEDHN Cc1cccc(N2CCN(CCCCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)c1 ZINC001477275350 1069810361 /nfs/dbraw/zinc/81/03/61/1069810361.db2.gz RRLIRVPYIYHEEQ-NZQKXSOJSA-N 0 3 459.616 1.477 20 30 JDEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001502248868 1069930126 /nfs/dbraw/zinc/93/01/26/1069930126.db2.gz CSHLVLIKXORWDI-ZWKOTPCHSA-N 0 3 472.615 1.675 20 30 JDEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001502250080 1069932154 /nfs/dbraw/zinc/93/21/54/1069932154.db2.gz TXPVMIXBHREBDB-QZTJIDSGSA-N 0 3 460.604 1.797 20 30 JDEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001502250079 1069932476 /nfs/dbraw/zinc/93/24/76/1069932476.db2.gz TXPVMIXBHREBDB-MSOLQXFVSA-N 0 3 460.604 1.797 20 30 JDEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@H]1C ZINC001502252444 1069933840 /nfs/dbraw/zinc/93/38/40/1069933840.db2.gz YCAKDJBCORENAE-QZTJIDSGSA-N 0 3 498.613 1.843 20 30 JDEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@H]1C ZINC001502252443 1069934269 /nfs/dbraw/zinc/93/42/69/1069934269.db2.gz YCAKDJBCORENAE-MSOLQXFVSA-N 0 3 498.613 1.843 20 30 JDEDHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC001502259830 1069959733 /nfs/dbraw/zinc/95/97/33/1069959733.db2.gz QXLHRUMTKUWENI-KYIBQMDOSA-N 0 3 464.574 1.709 20 30 JDEDHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC001502259831 1069959970 /nfs/dbraw/zinc/95/99/70/1069959970.db2.gz QXLHRUMTKUWENI-TYOXBBRLSA-N 0 3 464.574 1.709 20 30 JDEDHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001502281795 1070015256 /nfs/dbraw/zinc/01/52/56/1070015256.db2.gz NNMIMWKCPMDQJL-LJQANCHMSA-N 0 3 451.579 1.494 20 30 JDEDHN C#CCN(C)CCCNC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001478735212 1070045266 /nfs/dbraw/zinc/04/52/66/1070045266.db2.gz GKVCJQVDWZMEJT-IBGZPJMESA-N 0 3 451.612 1.831 20 30 JDEDHN C#CCN(C)CCCNC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001478735213 1070045539 /nfs/dbraw/zinc/04/55/39/1070045539.db2.gz GKVCJQVDWZMEJT-LJQANCHMSA-N 0 3 451.612 1.831 20 30 JDEDHN CCN1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502311064 1070077339 /nfs/dbraw/zinc/07/73/39/1070077339.db2.gz LSWKGAXQQIDGNF-YLJYHZDGSA-N 0 3 454.535 1.608 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001502312243 1070083304 /nfs/dbraw/zinc/08/33/04/1070083304.db2.gz IWIZAWQOIZIFMH-RXVVDRJESA-N 0 3 450.591 1.763 20 30 JDEDHN CCN1CCN([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502314472 1070093256 /nfs/dbraw/zinc/09/32/56/1070093256.db2.gz WCRBGKCAOYIOHH-ZWKOTPCHSA-N 0 3 459.545 1.902 20 30 JDEDHN CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001502331185 1070165861 /nfs/dbraw/zinc/16/58/61/1070165861.db2.gz KVLTYSLINYLIJU-FQEVSTJZSA-N 0 3 453.591 1.981 20 30 JDEDHN CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)C2)CC1 ZINC001502334560 1070187576 /nfs/dbraw/zinc/18/75/76/1070187576.db2.gz KRKSEXRQEORIOQ-QFIPXVFZSA-N 0 3 464.618 1.901 20 30 JDEDHN CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001503104385 1071056045 /nfs/dbraw/zinc/05/60/45/1071056045.db2.gz UBXOXCPUOKLEFT-NRFANRHFSA-N 0 3 495.632 1.351 20 30 JDEDHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 ZINC001503360338 1071573308 /nfs/dbraw/zinc/57/33/08/1071573308.db2.gz PTLFSYJMIKXALP-FQEVSTJZSA-N 0 3 470.622 1.587 20 30 JDEDHN CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503367365 1071595158 /nfs/dbraw/zinc/59/51/58/1071595158.db2.gz MKINZXKEOUZQAL-HXUWFJFHSA-N 0 3 467.574 1.366 20 30 JDEDHN CN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001503375152 1071614190 /nfs/dbraw/zinc/61/41/90/1071614190.db2.gz KSPZOFPGGQBZOX-UHFFFAOYSA-N 0 3 458.570 1.936 20 30 JDEDHN COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504830576 1071713822 /nfs/dbraw/zinc/71/38/22/1071713822.db2.gz ZJVGPBJMDNPOAQ-NRFANRHFSA-N 0 3 467.574 1.508 20 30 JDEDHN COCCN(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N ZINC001504857426 1071776204 /nfs/dbraw/zinc/77/62/04/1071776204.db2.gz LDJXBKBTNUPJGP-MSOLQXFVSA-N 0 3 465.599 1.903 20 30 JDEDHN CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCCC2)CCOCC1 ZINC001503634866 1071945896 /nfs/dbraw/zinc/94/58/96/1071945896.db2.gz GUCYMBHOXNWQRR-UHFFFAOYSA-N 0 3 472.615 1.943 20 30 JDEDHN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC001465092986 1067743323 /nfs/dbraw/zinc/74/33/23/1067743323.db2.gz CMYRCEPBWFRCQA-UHFFFAOYSA-N 0 3 454.552 1.676 20 30 JDEDHN CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC001465887698 1067839850 /nfs/dbraw/zinc/83/98/50/1067839850.db2.gz ILQBSKRFLOFQSK-HKUYNNGSSA-N 0 3 450.605 1.493 20 30 JDEDHN CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC001465887698 1067839853 /nfs/dbraw/zinc/83/98/53/1067839853.db2.gz ILQBSKRFLOFQSK-HKUYNNGSSA-N 0 3 450.605 1.493 20 30 JDEDHN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC001468012027 1068139073 /nfs/dbraw/zinc/13/90/73/1068139073.db2.gz SOLTYOBBQOCJTH-GOSISDBHSA-N 0 3 453.634 1.316 20 30 JDEDHN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001470863514 1068818523 /nfs/dbraw/zinc/81/85/23/1068818523.db2.gz LLLFWWKUVVFPKC-IBGZPJMESA-N 0 3 455.538 1.950 20 30 JDEDHN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001470863521 1068818536 /nfs/dbraw/zinc/81/85/36/1068818536.db2.gz LLLFWWKUVVFPKC-LJQANCHMSA-N 0 3 455.538 1.950 20 30 JDEDHN CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCN1CCOC ZINC001500250286 1069221938 /nfs/dbraw/zinc/22/19/38/1069221938.db2.gz SCQKYFVYFJUXHQ-JOCHJYFZSA-N 0 3 481.601 1.613 20 30 JDEDHN C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001507536479 1072598556 /nfs/dbraw/zinc/59/85/56/1072598556.db2.gz DYSSCZVEUKHSMK-FPOVZHCZSA-N 0 3 462.602 1.917 20 30 JDEDHN C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001507536485 1072598787 /nfs/dbraw/zinc/59/87/87/1072598787.db2.gz DYSSCZVEUKHSMK-TZIWHRDSSA-N 0 3 462.602 1.917 20 30 JDEDHN C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCSC2)c1 ZINC001507545817 1072606513 /nfs/dbraw/zinc/60/65/13/1072606513.db2.gz BLVWEMDLCQILBC-XMMPIXPASA-N 0 3 483.642 1.910 20 30 JDEDHN C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(N(C)C)CCSC2)c1 ZINC001507545814 1072606755 /nfs/dbraw/zinc/60/67/55/1072606755.db2.gz BLVWEMDLCQILBC-DEOSSOPVSA-N 0 3 483.642 1.910 20 30 JDEDHN C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCN2CCN(CC)CC2)c1 ZINC001507550541 1072613066 /nfs/dbraw/zinc/61/30/66/1072613066.db2.gz MHNJULOJKLZEPN-QFIPXVFZSA-N 0 3 479.629 1.866 20 30 JDEDHN C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCC2)c1 ZINC001507551764 1072613996 /nfs/dbraw/zinc/61/39/96/1072613996.db2.gz YUBFMAGNZSUXLL-TZIWHRDSSA-N 0 3 498.653 1.968 20 30 JDEDHN C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001507563869 1072621596 /nfs/dbraw/zinc/62/15/96/1072621596.db2.gz KBJCYKLMBQXCRL-HXUWFJFHSA-N 0 3 473.647 1.781 20 30 JDEDHN C#CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001507576619 1072629704 /nfs/dbraw/zinc/62/97/04/1072629704.db2.gz YTTQWKXTSJGXCD-RDPSFJRHSA-N 0 3 458.607 1.477 20 30 JDEDHN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001507616109 1072640409 /nfs/dbraw/zinc/64/04/09/1072640409.db2.gz GJBFVMGRHLBOOI-ROUUACIJSA-N 0 3 478.644 1.579 20 30 JDEDHN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507631903 1072691848 /nfs/dbraw/zinc/69/18/48/1072691848.db2.gz HAWQKDPVSPWJCK-GBESFXJTSA-N 0 3 464.636 1.222 20 30 JDEDHN C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507639091 1072725039 /nfs/dbraw/zinc/72/50/39/1072725039.db2.gz VPWGBBNROCDGQT-ACRUOGEOSA-N 0 3 493.674 1.893 20 30 JDEDHN C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 ZINC001507655285 1072747729 /nfs/dbraw/zinc/74/77/29/1072747729.db2.gz FCHXDVOZFFUQAZ-UHFFFAOYSA-N 0 3 450.587 1.965 20 30 JDEDHN C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001507660457 1072749880 /nfs/dbraw/zinc/74/98/80/1072749880.db2.gz UPLIDZVEIVDYEY-FYYLOGMGSA-N 0 3 498.653 1.642 20 30 JDEDHN C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCN(CC)CC1 ZINC001507662277 1072751465 /nfs/dbraw/zinc/75/14/65/1072751465.db2.gz HSSIOMBZMSEFLR-UHFFFAOYSA-N 0 3 482.654 1.839 20 30 JDEDHN C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001507702845 1072765579 /nfs/dbraw/zinc/76/55/79/1072765579.db2.gz MWQXMXVZCCPLGE-UHFFFAOYSA-N 0 3 480.613 1.605 20 30 JDEDHN C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(CC(C)C)C1 ZINC001507710915 1072769643 /nfs/dbraw/zinc/76/96/43/1072769643.db2.gz MILZGXRLWYKSJW-UXHICEINSA-N 0 3 451.637 1.634 20 30 JDEDHN C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001507716756 1072776054 /nfs/dbraw/zinc/77/60/54/1072776054.db2.gz UJRGKBNEQYTTHL-HSZRJFAPSA-N 0 3 492.672 1.928 20 30 JDEDHN C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)CCCC)CC1 ZINC001507721315 1072784802 /nfs/dbraw/zinc/78/48/02/1072784802.db2.gz ROAGBZXGYFFFGI-UHFFFAOYSA-N 0 3 458.632 1.836 20 30 JDEDHN C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001507722736 1072789998 /nfs/dbraw/zinc/78/99/98/1072789998.db2.gz GVIWBLZTDCMCFH-NRFANRHFSA-N 0 3 481.645 1.744 20 30 JDEDHN C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001507728112 1072797032 /nfs/dbraw/zinc/79/70/32/1072797032.db2.gz OUPWXSYZEPGPCT-NRFANRHFSA-N 0 3 484.674 1.332 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC(C)CC2)CC1 ZINC001507732697 1072802077 /nfs/dbraw/zinc/80/20/77/1072802077.db2.gz JNYLZSGJIVNAKJ-FQEVSTJZSA-N 0 3 469.634 1.600 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)CC1 ZINC001507733502 1072802598 /nfs/dbraw/zinc/80/25/98/1072802598.db2.gz AUHJYJBNPQWFGJ-UHFFFAOYSA-N 0 3 464.574 1.377 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCN2CC)CC1 ZINC001507733709 1072803090 /nfs/dbraw/zinc/80/30/90/1072803090.db2.gz JCHUKBDXTPTQIA-HXUWFJFHSA-N 0 3 455.607 1.354 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)CC1 ZINC001507739547 1072813321 /nfs/dbraw/zinc/81/33/21/1072813321.db2.gz RFPIESPIBOGSMJ-FPOVZHCZSA-N 0 3 490.674 1.268 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCN(CC)CC2)CC1 ZINC001507739428 1072813380 /nfs/dbraw/zinc/81/33/80/1072813380.db2.gz BHJSFSBSYRVIMH-UHFFFAOYSA-N 0 3 495.676 1.133 20 30 JDEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CC1 ZINC001507740309 1072815792 /nfs/dbraw/zinc/81/57/92/1072815792.db2.gz ZYEUGHXFRFDTSQ-HXUWFJFHSA-N 0 3 490.674 1.411 20 30 JDEDHN C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001507741420 1072818628 /nfs/dbraw/zinc/81/86/28/1072818628.db2.gz SFOSEUUPQIKEPZ-CTNGQTDRSA-N 0 3 487.674 1.259 20 30 JDEDHN C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001507746833 1072822130 /nfs/dbraw/zinc/82/21/30/1072822130.db2.gz GCDGTJYKCQOYFZ-UHFFFAOYSA-N 0 3 463.611 1.928 20 30 JDEDHN C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001507751072 1072823303 /nfs/dbraw/zinc/82/33/03/1072823303.db2.gz JRRMVEVOFWJLMX-NRSPTQNISA-N 0 3 460.648 1.527 20 30 JDEDHN C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001507756016 1072826062 /nfs/dbraw/zinc/82/60/62/1072826062.db2.gz KLMOGTKCQROSFT-FQEVSTJZSA-N 0 3 453.616 1.373 20 30 JDEDHN C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 ZINC001507772986 1072829609 /nfs/dbraw/zinc/82/96/09/1072829609.db2.gz OJSXVYJLPPLAFP-NFBKMPQASA-N 0 3 462.664 1.590 20 30 JDEDHN C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 ZINC001507772989 1072829667 /nfs/dbraw/zinc/82/96/67/1072829667.db2.gz OJSXVYJLPPLAFP-NZQKXSOJSA-N 0 3 462.664 1.590 20 30 JDEDHN C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001507782459 1072832332 /nfs/dbraw/zinc/83/23/32/1072832332.db2.gz GOAYMOQDJNAJFA-UHFFFAOYSA-N 0 3 465.400 1.578 20 30 JDEDHN C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001507783852 1072833089 /nfs/dbraw/zinc/83/30/89/1072833089.db2.gz XMJPBHGPBLTVHT-INIZCTEOSA-N 0 3 461.368 1.387 20 30 JDEDHN C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001507844393 1072847929 /nfs/dbraw/zinc/84/79/29/1072847929.db2.gz JIDGHPLGQNRXNH-SFHVURJKSA-N 0 3 470.640 1.124 20 30 JDEDHN C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001507935478 1072857852 /nfs/dbraw/zinc/85/78/52/1072857852.db2.gz QINRQBLQHICJHQ-OTWHNJEPSA-N 0 3 454.641 1.886 20 30 JDEDHN C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001507959527 1072860747 /nfs/dbraw/zinc/86/07/47/1072860747.db2.gz DRZYQHKPQDNBAA-SIKLNZKXSA-N 0 3 470.622 1.650 20 30 JDEDHN C=CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001508058411 1072870432 /nfs/dbraw/zinc/87/04/32/1072870432.db2.gz UNLUVZOAYIJZNR-UHFFFAOYSA-N 0 3 478.601 1.851 20 30 JDEDHN C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(Cc2ccccc2)CC1 ZINC001508073081 1072874954 /nfs/dbraw/zinc/87/49/54/1072874954.db2.gz VEZZZLAYEHSMKI-UHFFFAOYSA-N 0 3 453.591 1.819 20 30 JDEDHN C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001508078845 1072878503 /nfs/dbraw/zinc/87/85/03/1072878503.db2.gz KHWKXAMORLWWRY-GOSISDBHSA-N 0 3 470.574 1.423 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001508093706 1072889171 /nfs/dbraw/zinc/88/91/71/1072889171.db2.gz WNXYTULEXRBBPB-HXUWFJFHSA-N 0 3 465.558 1.189 20 30 JDEDHN C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001508095689 1072891229 /nfs/dbraw/zinc/89/12/29/1072891229.db2.gz ZILHXNFSOKIWQV-UHFFFAOYSA-N 0 3 472.565 1.847 20 30 JDEDHN C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508109487 1072896519 /nfs/dbraw/zinc/89/65/19/1072896519.db2.gz SJGZSFFPQQWYEK-WOJBJXKFSA-N 0 3 473.622 1.238 20 30 JDEDHN C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508116696 1072897575 /nfs/dbraw/zinc/89/75/75/1072897575.db2.gz IHCSXMKYQUWQBQ-UYAOXDASSA-N 0 3 454.579 1.459 20 30 JDEDHN C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001508116693 1072897635 /nfs/dbraw/zinc/89/76/35/1072897635.db2.gz IHCSXMKYQUWQBQ-AZUAARDMSA-N 0 3 454.579 1.459 20 30 JDEDHN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCCCC2)C1 ZINC001508141003 1072915691 /nfs/dbraw/zinc/91/56/91/1072915691.db2.gz KTBORMONXUCYPR-ZWKOTPCHSA-N 0 3 450.609 1.142 20 30 JDEDHN C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC001508141789 1072916646 /nfs/dbraw/zinc/91/66/46/1072916646.db2.gz ONFCRYHIVBIKIO-HXUWFJFHSA-N 0 3 480.679 1.378 20 30 JDEDHN C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508148016 1072927263 /nfs/dbraw/zinc/92/72/63/1072927263.db2.gz PDEHNWYBXPLRNZ-SFHVURJKSA-N 0 3 484.630 1.587 20 30 JDEDHN C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001508160717 1072931853 /nfs/dbraw/zinc/93/18/53/1072931853.db2.gz HYNFWBNEUMWYQO-KSZLIROESA-N 0 3 472.681 1.449 20 30 JDEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)N(C)C ZINC001508989261 1073462940 /nfs/dbraw/zinc/46/29/40/1073462940.db2.gz LWEQFGXKJBAEPN-UHFFFAOYSA-N 0 3 459.620 1.877 20 30 JDEDHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCNC(=O)C1N=CC=CC1=O ZINC001509003554 1073472363 /nfs/dbraw/zinc/47/23/63/1073472363.db2.gz RHCGLOXTPORBIF-MBOBHEEDSA-N 0 3 457.579 1.617 20 30 JDEDHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001509406939 1073586115 /nfs/dbraw/zinc/58/61/15/1073586115.db2.gz IGKOXVMMXSPHAU-FHWLQOOXSA-N 0 3 450.609 1.277 20 30 JDEDHN CNC(=O)CN1CCOC[C@]2(CCCN(c3nccnc3C(C#N)C(=O)OC(C)(C)C)C2)C1 ZINC001164722788 720299399 /nfs/dbraw/zinc/29/93/99/720299399.db2.gz ROQXJJDBOOPKBY-UZUQRXQVSA-N 0 3 458.563 1.090 20 30 JDEDHN