smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001571312403 946492467 /nfs/dbraw/zinc/49/24/67/946492467.db2.gz BUMGHISHDUNSRI-ZFWWWQNUSA-N -1 1 392.427 0.543 20 30 GCEDMM CN(CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571312900 946505422 /nfs/dbraw/zinc/50/54/22/946505422.db2.gz LWYVJCAMNLJCJW-UHFFFAOYSA-N -1 1 392.427 0.845 20 30 GCEDMM CN(CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571312900 946505427 /nfs/dbraw/zinc/50/54/27/946505427.db2.gz LWYVJCAMNLJCJW-UHFFFAOYSA-N -1 1 392.427 0.845 20 30 GCEDMM C=CCS(=O)(=O)CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000823932462 946520165 /nfs/dbraw/zinc/52/01/65/946520165.db2.gz ZRAHEENZWGPRMY-UHFFFAOYSA-N -1 1 390.425 0.889 20 30 GCEDMM C=CCS(=O)(=O)CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000823932462 946520175 /nfs/dbraw/zinc/52/01/75/946520175.db2.gz ZRAHEENZWGPRMY-UHFFFAOYSA-N -1 1 390.425 0.889 20 30 GCEDMM C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001573281971 946681082 /nfs/dbraw/zinc/68/10/82/946681082.db2.gz DMYREDPAEVMIBF-LBPRGKRZSA-N -1 1 381.400 0.510 20 30 GCEDMM C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001573281971 946681087 /nfs/dbraw/zinc/68/10/87/946681087.db2.gz DMYREDPAEVMIBF-LBPRGKRZSA-N -1 1 381.400 0.510 20 30 GCEDMM C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001573281969 946681548 /nfs/dbraw/zinc/68/15/48/946681548.db2.gz DMYREDPAEVMIBF-GFCCVEGCSA-N -1 1 381.400 0.510 20 30 GCEDMM C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001573281969 946681552 /nfs/dbraw/zinc/68/15/52/946681552.db2.gz DMYREDPAEVMIBF-GFCCVEGCSA-N -1 1 381.400 0.510 20 30 GCEDMM C#CCCCCC(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001573281997 946684058 /nfs/dbraw/zinc/68/40/58/946684058.db2.gz DISAUCPXOFACHO-GOSISDBHSA-N -1 1 384.444 0.562 20 30 GCEDMM C#CCCCCC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001573281997 946684064 /nfs/dbraw/zinc/68/40/64/946684064.db2.gz DISAUCPXOFACHO-GOSISDBHSA-N -1 1 384.444 0.562 20 30 GCEDMM C#CCCCCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001573282299 946687625 /nfs/dbraw/zinc/68/76/25/946687625.db2.gz IGWNPAAOAUPNLN-KBPBESRZSA-N -1 1 384.444 0.296 20 30 GCEDMM C#CCCCCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001573282299 946687631 /nfs/dbraw/zinc/68/76/31/946687631.db2.gz IGWNPAAOAUPNLN-KBPBESRZSA-N -1 1 384.444 0.296 20 30 GCEDMM C#CCN(C(=O)c1[nH]cnc1C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573282802 946697145 /nfs/dbraw/zinc/69/71/45/946697145.db2.gz MGFMBVMHEXVMNP-UHFFFAOYSA-N -1 1 392.427 0.433 20 30 GCEDMM C#CCCCCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1O ZINC001573283047 946704564 /nfs/dbraw/zinc/70/45/64/946704564.db2.gz REKITLLLPXVTNH-VXGBXAGGSA-N -1 1 375.458 0.491 20 30 GCEDMM C#CCN(C(=O)c1ccnn1C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573283275 946713163 /nfs/dbraw/zinc/71/31/63/946713163.db2.gz QTBVFRWGTJNKEL-UHFFFAOYSA-N -1 1 392.427 0.135 20 30 GCEDMM C#CCN(C(=O)c1ccnn1C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573283275 946713167 /nfs/dbraw/zinc/71/31/67/946713167.db2.gz QTBVFRWGTJNKEL-UHFFFAOYSA-N -1 1 392.427 0.135 20 30 GCEDMM C#CCCCCC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573283791 946728565 /nfs/dbraw/zinc/72/85/65/946728565.db2.gz MYVUJYCTVQEJPZ-CQSZACIVSA-N -1 1 384.444 0.798 20 30 GCEDMM C#CCCCCC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573283791 946728573 /nfs/dbraw/zinc/72/85/73/946728573.db2.gz MYVUJYCTVQEJPZ-CQSZACIVSA-N -1 1 384.444 0.798 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573286238 946799667 /nfs/dbraw/zinc/79/96/67/946799667.db2.gz WUIWXGNMPHUQRJ-ZIAGYGMSSA-N -1 1 384.444 0.878 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573286238 946799676 /nfs/dbraw/zinc/79/96/76/946799676.db2.gz WUIWXGNMPHUQRJ-ZIAGYGMSSA-N -1 1 384.444 0.878 20 30 GCEDMM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573543350 946806038 /nfs/dbraw/zinc/80/60/38/946806038.db2.gz XPOPRSUIGGRKAJ-SNVBAGLBSA-N -1 1 379.388 0.594 20 30 GCEDMM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001573543387 946809335 /nfs/dbraw/zinc/80/93/35/946809335.db2.gz YISTYVQUTKXOFT-SNVBAGLBSA-N -1 1 379.388 0.594 20 30 GCEDMM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001573543387 946809349 /nfs/dbraw/zinc/80/93/49/946809349.db2.gz YISTYVQUTKXOFT-SNVBAGLBSA-N -1 1 379.388 0.594 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)cn1 ZINC001573286985 946822987 /nfs/dbraw/zinc/82/29/87/946822987.db2.gz DKIBSMXBBJGNHJ-UHFFFAOYSA-N -1 1 380.437 0.970 20 30 GCEDMM C#Cc1ccc(C(=O)N(CC)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001573287257 946831916 /nfs/dbraw/zinc/83/19/16/946831916.db2.gz AQQGEUJYMJRJHA-HNNXBMFYSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1ccc(C(=O)N(CC)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573287257 946831931 /nfs/dbraw/zinc/83/19/31/946831931.db2.gz AQQGEUJYMJRJHA-HNNXBMFYSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573287872 946849883 /nfs/dbraw/zinc/84/98/83/946849883.db2.gz LTLRWJSMXBDKMP-DOMZBBRYSA-N -1 1 389.423 0.466 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573287861 946850669 /nfs/dbraw/zinc/85/06/69/946850669.db2.gz LQIIUPMAOHYLEE-LBPRGKRZSA-N -1 1 375.396 0.289 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573287861 946850679 /nfs/dbraw/zinc/85/06/79/946850679.db2.gz LQIIUPMAOHYLEE-LBPRGKRZSA-N -1 1 375.396 0.289 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001573288083 946856352 /nfs/dbraw/zinc/85/63/52/946856352.db2.gz MXFWUHGKFLONMS-UHFFFAOYSA-N -1 1 375.396 0.386 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573288300 946863142 /nfs/dbraw/zinc/86/31/42/946863142.db2.gz UFRGSJKUWAWJHP-UKRRQHHQSA-N -1 1 382.428 0.124 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573288300 946863156 /nfs/dbraw/zinc/86/31/56/946863156.db2.gz UFRGSJKUWAWJHP-UKRRQHHQSA-N -1 1 382.428 0.124 20 30 GCEDMM C#Cc1ccc(C(=O)NC2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001573288439 946866416 /nfs/dbraw/zinc/86/64/16/946866416.db2.gz QLYKPTSIDUHYNJ-UHFFFAOYSA-N -1 1 389.423 0.822 20 30 GCEDMM C#CCOc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573290276 946900682 /nfs/dbraw/zinc/90/06/82/946900682.db2.gz VBOSOXYMFGDQLP-CHWSQXEVSA-N -1 1 392.423 0.710 20 30 GCEDMM C#Cc1cncc(C(=O)NCCCN(CC)c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001573291437 946919887 /nfs/dbraw/zinc/91/98/87/946919887.db2.gz CRONUNLNISCNIC-UHFFFAOYSA-N -1 1 377.412 0.679 20 30 GCEDMM C#Cc1cncc(C(=O)NCCCN(CC)c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001573291437 946919895 /nfs/dbraw/zinc/91/98/95/946919895.db2.gz CRONUNLNISCNIC-UHFFFAOYSA-N -1 1 377.412 0.679 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001573291843 946923760 /nfs/dbraw/zinc/92/37/60/946923760.db2.gz KMMJUQIDSKRMBJ-HNNXBMFYSA-N -1 1 389.423 0.562 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001573292055 946926511 /nfs/dbraw/zinc/92/65/11/946926511.db2.gz NLJMRIAHFMSGAT-AWEZNQCLSA-N -1 1 375.396 0.750 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001573292055 946926518 /nfs/dbraw/zinc/92/65/18/946926518.db2.gz NLJMRIAHFMSGAT-AWEZNQCLSA-N -1 1 375.396 0.750 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CCN(c3cc(-c4nnn[n-]4)nc(CC)n3)C2)c1 ZINC001573292089 946928664 /nfs/dbraw/zinc/92/86/64/946928664.db2.gz OPWSVRCGSSNVPW-AWEZNQCLSA-N -1 1 389.423 0.604 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CCN(c3cc(-c4nn[n-]n4)nc(CC)n3)C2)c1 ZINC001573292089 946928673 /nfs/dbraw/zinc/92/86/73/946928673.db2.gz OPWSVRCGSSNVPW-AWEZNQCLSA-N -1 1 389.423 0.604 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)c1 ZINC001573292305 946931010 /nfs/dbraw/zinc/93/10/10/946931010.db2.gz SOYWWGBXNHIHJJ-AWEZNQCLSA-N -1 1 375.396 0.654 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)c1 ZINC001573292305 946931016 /nfs/dbraw/zinc/93/10/16/946931016.db2.gz SOYWWGBXNHIHJJ-AWEZNQCLSA-N -1 1 375.396 0.654 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC(N(C)c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001573292497 946933221 /nfs/dbraw/zinc/93/32/21/946933221.db2.gz WMMABSIXYIWSHQ-UHFFFAOYSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC(N(C)c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001573292497 946933227 /nfs/dbraw/zinc/93/32/27/946933227.db2.gz WMMABSIXYIWSHQ-UHFFFAOYSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)c1 ZINC001573292325 946933381 /nfs/dbraw/zinc/93/33/81/946933381.db2.gz TZHJPHDYECGEET-BXUZGUMPSA-N -1 1 375.396 0.170 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001573292502 946935743 /nfs/dbraw/zinc/93/57/43/946935743.db2.gz WPLSNIQLHBVAOF-DOMZBBRYSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001573292502 946935749 /nfs/dbraw/zinc/93/57/49/946935749.db2.gz WPLSNIQLHBVAOF-DOMZBBRYSA-N -1 1 389.423 0.820 20 30 GCEDMM C=C(C)[C@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)OCC ZINC001573293083 946946410 /nfs/dbraw/zinc/94/64/10/946946410.db2.gz LWQHBTTVBMIMOW-HIFRSBDPSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C(C)[C@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)OCC ZINC001573293083 946946418 /nfs/dbraw/zinc/94/64/18/946946418.db2.gz LWQHBTTVBMIMOW-HIFRSBDPSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C(C)[C@@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)OCC ZINC001573293084 946946916 /nfs/dbraw/zinc/94/69/16/946946916.db2.gz LWQHBTTVBMIMOW-UKRRQHHQSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C(C)[C@@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)OCC ZINC001573293084 946946922 /nfs/dbraw/zinc/94/69/22/946946922.db2.gz LWQHBTTVBMIMOW-UKRRQHHQSA-N -1 1 386.460 0.971 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573564793 946997110 /nfs/dbraw/zinc/99/71/10/946997110.db2.gz KVSPALMAVUVPRG-GHJWDPDVSA-N -1 1 397.443 0.624 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573564793 946997118 /nfs/dbraw/zinc/99/71/18/946997118.db2.gz KVSPALMAVUVPRG-GHJWDPDVSA-N -1 1 397.443 0.624 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573295407 947018473 /nfs/dbraw/zinc/01/84/73/947018473.db2.gz QDIQEDYTYKKWMT-ZFWWWQNUSA-N -1 1 384.444 0.723 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573295407 947018485 /nfs/dbraw/zinc/01/84/85/947018485.db2.gz QDIQEDYTYKKWMT-ZFWWWQNUSA-N -1 1 384.444 0.723 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573296165 947040369 /nfs/dbraw/zinc/04/03/69/947040369.db2.gz ZEIGJXHGRNRPAU-YDHLFZDLSA-N -1 1 384.444 0.641 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573296165 947040382 /nfs/dbraw/zinc/04/03/82/947040382.db2.gz ZEIGJXHGRNRPAU-YDHLFZDLSA-N -1 1 384.444 0.641 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573299770 947102578 /nfs/dbraw/zinc/10/25/78/947102578.db2.gz LPZFICOMUVLUJU-YPMHNXCESA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573299770 947102587 /nfs/dbraw/zinc/10/25/87/947102587.db2.gz LPZFICOMUVLUJU-YPMHNXCESA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)OCC ZINC001573301078 947129207 /nfs/dbraw/zinc/12/92/07/947129207.db2.gz YPGVFPQKSXGKAX-MGPQQGTHSA-N -1 1 386.460 0.969 20 30 GCEDMM C=C(C)[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)OCC ZINC001573301078 947129215 /nfs/dbraw/zinc/12/92/15/947129215.db2.gz YPGVFPQKSXGKAX-MGPQQGTHSA-N -1 1 386.460 0.969 20 30 GCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001573307142 947177980 /nfs/dbraw/zinc/17/79/80/947177980.db2.gz PJVHIUBKOWGIEU-ACJLOTCBSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001573307142 947177989 /nfs/dbraw/zinc/17/79/89/947177989.db2.gz PJVHIUBKOWGIEU-ACJLOTCBSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CC(C)(C)CC(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573308203 947186385 /nfs/dbraw/zinc/18/63/85/947186385.db2.gz YZUGOXLUSOTBKK-UHFFFAOYSA-N -1 1 385.476 0.497 20 30 GCEDMM C=CC(C)(C)CC(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573308203 947186389 /nfs/dbraw/zinc/18/63/89/947186389.db2.gz YZUGOXLUSOTBKK-UHFFFAOYSA-N -1 1 385.476 0.497 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573582186 947187572 /nfs/dbraw/zinc/18/75/72/947187572.db2.gz BTIHIWWBJCRBNI-IUODEOHRSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573582186 947187585 /nfs/dbraw/zinc/18/75/85/947187585.db2.gz BTIHIWWBJCRBNI-IUODEOHRSA-N -1 1 389.423 0.864 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573309128 947190816 /nfs/dbraw/zinc/19/08/16/947190816.db2.gz CUGRQTPTWDVTNW-RTHLEPHNSA-N -1 1 383.865 0.999 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573309085 947191190 /nfs/dbraw/zinc/19/11/90/947191190.db2.gz CLCQXTCRLMNGEJ-KPZWWZAWSA-N -1 1 386.460 0.583 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573309085 947191196 /nfs/dbraw/zinc/19/11/96/947191196.db2.gz CLCQXTCRLMNGEJ-KPZWWZAWSA-N -1 1 386.460 0.583 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573584286 947217121 /nfs/dbraw/zinc/21/71/21/947217121.db2.gz SQMFRRTZBNRUFV-UWVGGRQHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCC1(F)F ZINC001573584372 947218856 /nfs/dbraw/zinc/21/88/56/947218856.db2.gz VAQCARRDMPZTRT-UWVGGRQHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCC1(F)F ZINC001573584372 947218865 /nfs/dbraw/zinc/21/88/65/947218865.db2.gz VAQCARRDMPZTRT-UWVGGRQHSA-N -1 1 377.359 0.394 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573310357 947221166 /nfs/dbraw/zinc/22/11/66/947221166.db2.gz WXHMVMZCUKYMLF-SJKOYZFVSA-N -1 1 384.444 0.459 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573310366 947222652 /nfs/dbraw/zinc/22/26/52/947222652.db2.gz XBRVIBIUEGOCAI-WRSAYESZSA-N -1 1 384.444 0.411 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573310366 947222663 /nfs/dbraw/zinc/22/26/63/947222663.db2.gz XBRVIBIUEGOCAI-WRSAYESZSA-N -1 1 384.444 0.411 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573584486 947225589 /nfs/dbraw/zinc/22/55/89/947225589.db2.gz WUJKLUPYYDCKBZ-WFASDCNBSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573584486 947225598 /nfs/dbraw/zinc/22/55/98/947225598.db2.gz WUJKLUPYYDCKBZ-WFASDCNBSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1cccc2c1CCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573585054 947244856 /nfs/dbraw/zinc/24/48/56/947244856.db2.gz JUYSWHPNLMZZID-LBPRGKRZSA-N -1 1 389.423 0.995 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1cccc2c1CCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573585054 947244867 /nfs/dbraw/zinc/24/48/67/947244867.db2.gz JUYSWHPNLMZZID-LBPRGKRZSA-N -1 1 389.423 0.995 20 30 GCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1c1ccccc1 ZINC001573586046 947274715 /nfs/dbraw/zinc/27/47/15/947274715.db2.gz YFIDGUNRXKXSJQ-DUVNUKRYSA-N -1 1 389.423 0.905 20 30 GCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1c1ccccc1 ZINC001573586046 947274724 /nfs/dbraw/zinc/27/47/24/947274724.db2.gz YFIDGUNRXKXSJQ-DUVNUKRYSA-N -1 1 389.423 0.905 20 30 GCEDMM CCS(=O)(=O)c1ccc2oc(Cn3cnc(C#N)c3-c3nn[n-]n3)nc2c1 ZINC000825668257 947281672 /nfs/dbraw/zinc/28/16/72/947281672.db2.gz CVAHASWHTVGUDX-UHFFFAOYSA-N -1 1 384.381 0.918 20 30 GCEDMM C=CCC1(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)CCC1 ZINC001573326480 947373152 /nfs/dbraw/zinc/37/31/52/947373152.db2.gz PGDRTGDBZRNGLL-CYBMUJFWSA-N -1 1 384.444 0.725 20 30 GCEDMM C=CCC1(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)CCC1 ZINC001573326480 947373162 /nfs/dbraw/zinc/37/31/62/947373162.db2.gz PGDRTGDBZRNGLL-CYBMUJFWSA-N -1 1 384.444 0.725 20 30 GCEDMM C=CCC1(C(=O)NCCCN(C)c2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573326548 947375048 /nfs/dbraw/zinc/37/50/48/947375048.db2.gz QINFDVSLWFQIOY-UHFFFAOYSA-N -1 1 386.460 0.972 20 30 GCEDMM C=CCC1(C(=O)NCCCN(C)c2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573326548 947375060 /nfs/dbraw/zinc/37/50/60/947375060.db2.gz QINFDVSLWFQIOY-UHFFFAOYSA-N -1 1 386.460 0.972 20 30 GCEDMM C=CCCC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001573328001 947402855 /nfs/dbraw/zinc/40/28/55/947402855.db2.gz PMBWMTMKPJKHQV-IUCAKERBSA-N -1 1 383.865 0.999 20 30 GCEDMM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573329743 947425643 /nfs/dbraw/zinc/42/56/43/947425643.db2.gz OHXOZSXPRDJXHK-AAEUAGOBSA-N -1 1 388.432 0.563 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573336262 947504015 /nfs/dbraw/zinc/50/40/15/947504015.db2.gz LVZQXGJBPKBJJX-HZSPNIEDSA-N -1 1 386.460 0.826 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573336262 947504023 /nfs/dbraw/zinc/50/40/23/947504023.db2.gz LVZQXGJBPKBJJX-HZSPNIEDSA-N -1 1 386.460 0.826 20 30 GCEDMM C=CCCOCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573337131 947513067 /nfs/dbraw/zinc/51/30/67/947513067.db2.gz VBKVVGGCCYVHSI-OCCSQVGLSA-N -1 1 388.432 0.277 20 30 GCEDMM C=CCCOCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573337131 947513074 /nfs/dbraw/zinc/51/30/74/947513074.db2.gz VBKVVGGCCYVHSI-OCCSQVGLSA-N -1 1 388.432 0.277 20 30 GCEDMM C=CCOCC(=O)NC[C@]1(C)CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573342855 947548495 /nfs/dbraw/zinc/54/84/95/947548495.db2.gz FQPDZQRNKQSCAC-SFHVURJKSA-N -1 1 386.460 0.890 20 30 GCEDMM C=CCOCC(=O)NC[C@]1(C)CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573342855 947548504 /nfs/dbraw/zinc/54/85/04/947548504.db2.gz FQPDZQRNKQSCAC-SFHVURJKSA-N -1 1 386.460 0.890 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573350948 947606806 /nfs/dbraw/zinc/60/68/06/947606806.db2.gz LUZCOVOGQHDNOH-MJBXVCDLSA-N -1 1 384.444 0.675 20 30 GCEDMM C=CCn1cc(C(=O)Nc2c(C)c(-c3nnn[n-]3)nn2-c2cccnc2)nn1 ZINC001573351169 947610483 /nfs/dbraw/zinc/61/04/83/947610483.db2.gz NKFOJOCFLKZRMH-UHFFFAOYSA-N -1 1 377.372 0.786 20 30 GCEDMM C=CCn1cc(C(=O)Nc2c(C)c(-c3nn[n-]n3)nn2-c2cccnc2)nn1 ZINC001573351169 947610490 /nfs/dbraw/zinc/61/04/90/947610490.db2.gz NKFOJOCFLKZRMH-UHFFFAOYSA-N -1 1 377.372 0.786 20 30 GCEDMM C=CCn1cc(C(=O)N[C@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)nn1 ZINC001573351174 947611311 /nfs/dbraw/zinc/61/13/11/947611311.db2.gz NMEWREHZGRQGGR-AOOOYVTPSA-N -1 1 386.445 0.782 20 30 GCEDMM C=CCn1cc(C(=O)N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)nn1 ZINC001573352023 947622769 /nfs/dbraw/zinc/62/27/69/947622769.db2.gz YNDCFJCJJQXCFI-UHFFFAOYSA-N -1 1 386.445 0.372 20 30 GCEDMM C[C@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573616566 947625221 /nfs/dbraw/zinc/62/52/21/947625221.db2.gz JIYREXFNJFMLEH-DOMZBBRYSA-N -1 1 392.427 0.628 20 30 GCEDMM CC#CCCCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001573357928 947654739 /nfs/dbraw/zinc/65/47/39/947654739.db2.gz COLDFNUXZJAYNC-GOSISDBHSA-N -1 1 384.444 0.562 20 30 GCEDMM C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)n[nH]2)c1C ZINC001602731229 971413822 /nfs/dbraw/zinc/41/38/22/971413822.db2.gz ZSXWLZIKDOOHAT-UHFFFAOYSA-N -1 1 386.412 0.445 20 30 GCEDMM CC#CCCCC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573358624 947666637 /nfs/dbraw/zinc/66/66/37/947666637.db2.gz GFRPWHDJTZNDRR-GOSISDBHSA-N -1 1 384.444 0.038 20 30 GCEDMM Cc1cc(C)n(N=CCN2C(=O)c3ccccc3C2=O)c(=O)c1-c1nn[n-]n1 ZINC000826264812 947764185 /nfs/dbraw/zinc/76/41/85/947764185.db2.gz BEKJUVVHFRXUJZ-UHFFFAOYSA-N -1 1 377.364 0.775 20 30 GCEDMM Cc1cccc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)c3C#N)CC2)c1 ZINC000826299013 947864446 /nfs/dbraw/zinc/86/44/46/947864446.db2.gz NZNZFVPYRHJPJH-UHFFFAOYSA-N -1 1 377.412 0.592 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575884270 949841748 /nfs/dbraw/zinc/84/17/48/949841748.db2.gz IEWVDUWTRXGGFD-CMPLNLGQSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575884270 949841770 /nfs/dbraw/zinc/84/17/70/949841770.db2.gz IEWVDUWTRXGGFD-CMPLNLGQSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575889883 949937142 /nfs/dbraw/zinc/93/71/42/949937142.db2.gz UPDLCNAIDALYIQ-MFKMUULPSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575889882 949937192 /nfs/dbraw/zinc/93/71/92/949937192.db2.gz UPDLCNAIDALYIQ-GXFFZTMASA-N -1 1 378.400 0.644 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)[C@H](O)C1 ZINC001573854011 950336178 /nfs/dbraw/zinc/33/61/78/950336178.db2.gz WQFDJWLOMADNMM-GXSJLCMTSA-N -1 1 387.404 0.311 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001573857751 950412048 /nfs/dbraw/zinc/41/20/48/950412048.db2.gz ZKJROJZPXFEHRL-GXSJLCMTSA-N -1 1 387.404 0.168 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001573857751 950412058 /nfs/dbraw/zinc/41/20/58/950412058.db2.gz ZKJROJZPXFEHRL-GXSJLCMTSA-N -1 1 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ZINC000547899458 1197543038 /nfs/dbraw/zinc/54/30/38/1197543038.db2.gz XLXFUEOZZKXTFT-LBPRGKRZSA-N -1 1 382.398 0.684 20 30 GCEDMM N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC3(C2)CCCC3)nc1 ZINC000349458094 1200704421 /nfs/dbraw/zinc/70/44/21/1200704421.db2.gz LEWFXSPCXQZKEB-UHFFFAOYSA-N -1 1 398.510 1.291 20 30 GCEDMM Cc1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC=CCC2)ncc1C#N ZINC000594638007 1200913456 /nfs/dbraw/zinc/91/34/56/1200913456.db2.gz UDMBHJQLVATTDI-UHFFFAOYSA-N -1 1 398.510 1.375 20 30 GCEDMM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)C#N)ncc1C#N ZINC000349519739 1200914029 /nfs/dbraw/zinc/91/40/29/1200914029.db2.gz PVRCAGFXQFCSAT-GFCCVEGCSA-N -1 1 399.498 0.815 20 30 GCEDMM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CC#N)ncc1C#N ZINC000349524010 1200914088 /nfs/dbraw/zinc/91/40/88/1200914088.db2.gz PERIUATUFGIMDO-ZDUSSCGKSA-N -1 1 399.498 0.957 20 30 GCEDMM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CC#N)ccc1C#N ZINC000349515293 1201013039 /nfs/dbraw/zinc/01/30/39/1201013039.db2.gz BPOLZHCDYBFTNO-GFCCVEGCSA-N -1 1 399.498 0.957 20 30 GCEDMM O=C(COc1ccccc1C=NNc1nc2[nH][n-]cc-2c(=O)n1)N1CCCC1 ZINC000731154953 1201474040 /nfs/dbraw/zinc/47/40/40/1201474040.db2.gz LKKBIXIMDCTSLL-UHFFFAOYSA-N -1 1 381.396 0.879 20 30 GCEDMM COc1cc([C@@H](C#N)NC(=O)CCn2cc[n-]c(=O)c2=O)cc(OC)c1OC ZINC000733145008 1201575983 /nfs/dbraw/zinc/57/59/83/1201575983.db2.gz NNHIOYMZHLXNIL-GFCCVEGCSA-N -1 1 388.380 0.334 20 30 GCEDMM O=C(NCCNC(=O)C1=NCC=CC1=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000735116980 1201679422 /nfs/dbraw/zinc/67/94/22/1201679422.db2.gz WBOIKKULVXWUDI-BMRADRMJSA-N -1 1 385.355 0.973 20 30 GCEDMM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000741144908 1201758828 /nfs/dbraw/zinc/75/88/28/1201758828.db2.gz GQGZRWODQOBLGZ-UHFFFAOYSA-N -1 1 393.396 0.458 20 30 GCEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000741164303 1201760156 /nfs/dbraw/zinc/76/01/56/1201760156.db2.gz GBWKMKMSBHHNDN-UHFFFAOYSA-N -1 1 387.425 0.808 20 30 GCEDMM CCOC(=O)[C@@H]1CC[C@@H](N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CO1 ZINC001169368822 1201944054 /nfs/dbraw/zinc/94/40/54/1201944054.db2.gz UIBUUUWXVNAPHH-GRYCIOLGSA-N -1 1 386.407 0.113 20 30 GCEDMM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC3(C#N)CCC3)cc2[nH]c1=S ZINC000771077847 1202123453 /nfs/dbraw/zinc/12/34/53/1202123453.db2.gz HNFCNPKVDDSMMB-UHFFFAOYSA-N -1 1 392.462 0.976 20 30 GCEDMM COC(=O)Cn1cc(C(C)=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000772841225 1205510454 /nfs/dbraw/zinc/51/04/54/1205510454.db2.gz SKRWEIISXBCOPY-UHFFFAOYSA-N -1 1 396.385 0.203 20 30 GCEDMM CC(C)(C)OC(=O)N1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000804964175 1205529539 /nfs/dbraw/zinc/52/95/39/1205529539.db2.gz WUVYCYFAGFXHJH-UHFFFAOYSA-N -1 1 398.441 0.509 20 30 GCEDMM C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000747472648 1205604332 /nfs/dbraw/zinc/60/43/32/1205604332.db2.gz ZXZZXEQCEIQFGO-MRXNPFEDSA-N -1 1 396.432 0.631 20 30 GCEDMM COCCN1C(=O)C(=CNc2c(C#N)cnn2-c2ccccc2)C(=O)[N-]C1=S ZINC000747829094 1205670773 /nfs/dbraw/zinc/67/07/73/1205670773.db2.gz XJCOXMPMADYNDP-SDNWHVSQSA-N -1 1 396.432 0.929 20 30 GCEDMM COc1cccc(-c2cc(C(=O)N3CC(n4cc(C#N)c(=O)[n-]c4=O)C3)n[nH]2)c1 ZINC001180999822 1205836743 /nfs/dbraw/zinc/83/67/43/1205836743.db2.gz HPERBHZNBOINDZ-UHFFFAOYSA-N -1 1 392.375 0.916 20 30 GCEDMM CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C(=O)N([O-])C(=N)c1nonc1N ZINC001182201353 1205860389 /nfs/dbraw/zinc/86/03/89/1205860389.db2.gz QAFXYWBCWJXWEN-QMMMGPOBSA-N -1 1 384.393 0.609 20 30 GCEDMM O=C(CCC(=O)C1=CC=C[CH]1)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001184247255 1205907037 /nfs/dbraw/zinc/90/70/37/1205907037.db2.gz JZWOUGHJWKXTPV-UHFFFAOYSA-N -1 1 388.469 0.982 20 30 GCEDMM CC(C)(C)OC(=O)NC1(CC(=O)N([O-])C(=N)c2nonc2N)CCOCC1 ZINC001184419475 1205910050 /nfs/dbraw/zinc/91/00/50/1205910050.db2.gz VTCVIUYMMHGKQA-UHFFFAOYSA-N -1 1 384.393 0.659 20 30 GCEDMM CCOC(=O)C(C#N)[N-]S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001185779355 1205928869 /nfs/dbraw/zinc/92/88/69/1205928869.db2.gz AWHLSNQAKFSSPW-LBPRGKRZSA-N -1 1 375.447 0.761 20 30 GCEDMM COc1ccc(C#N)c(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC001189094204 1205996702 /nfs/dbraw/zinc/99/67/02/1205996702.db2.gz CHKYMVKRHBLUMX-HNNXBMFYSA-N -1 1 385.380 0.222 20 30 GCEDMM CCS(=O)(=O)c1cnc(C[N-]S(=O)(=O)c2cc(C#N)ccc2F)nc1 ZINC001190669890 1206040667 /nfs/dbraw/zinc/04/06/67/1206040667.db2.gz ASKHJLMWTOWFRD-UHFFFAOYSA-N -1 1 384.414 0.759 20 30 GCEDMM C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000819701680 945273700 /nfs/dbraw/zinc/27/37/00/945273700.db2.gz LBIJXRXGHACYLY-UHFFFAOYSA-N -1 1 398.404 0.736 20 30 GCEDMM N#Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)c[nH]1 ZINC001571296120 946184375 /nfs/dbraw/zinc/18/43/75/946184375.db2.gz OJOJRUDQIMLWOE-OKILXGFUSA-N -1 1 390.411 0.740 20 30 GCEDMM N#Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)c[nH]1 ZINC001571296120 946184381 /nfs/dbraw/zinc/18/43/81/946184381.db2.gz OJOJRUDQIMLWOE-OKILXGFUSA-N -1 1 390.411 0.740 20 30 GCEDMM N#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001571296071 946185025 /nfs/dbraw/zinc/18/50/25/946185025.db2.gz MSCQDRSFQQNVMN-YHWZYXNKSA-N -1 1 390.411 0.786 20 30 GCEDMM N#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001571296071 946185031 /nfs/dbraw/zinc/18/50/31/946185031.db2.gz MSCQDRSFQQNVMN-YHWZYXNKSA-N -1 1 390.411 0.786 20 30 GCEDMM N#Cc1ccc(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)[nH]1 ZINC001571296123 946185369 /nfs/dbraw/zinc/18/53/69/946185369.db2.gz OLQITLLVPILQPT-SFHVURJKSA-N -1 1 390.411 0.599 20 30 GCEDMM N#Cc1ccc(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)[nH]1 ZINC001571296123 946185373 /nfs/dbraw/zinc/18/53/73/946185373.db2.gz OLQITLLVPILQPT-SFHVURJKSA-N -1 1 390.411 0.599 20 30 GCEDMM N#Cc1cc(C(=O)N[C@]23CCC[C@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)c[nH]1 ZINC001571296277 946189291 /nfs/dbraw/zinc/18/92/91/946189291.db2.gz SPYFQJCGBSHVIE-KDOFPFPSSA-N -1 1 390.411 0.788 20 30 GCEDMM N#Cc1cc(C(=O)N[C@]23CCC[C@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)c[nH]1 ZINC001571296277 946189298 /nfs/dbraw/zinc/18/92/98/946189298.db2.gz SPYFQJCGBSHVIE-KDOFPFPSSA-N -1 1 390.411 0.788 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 ZINC001571296271 946189815 /nfs/dbraw/zinc/18/98/15/946189815.db2.gz SIRIUUHNCGWMME-XYYAHUGASA-N -1 1 390.411 0.277 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 ZINC001571296271 946189821 /nfs/dbraw/zinc/18/98/21/946189821.db2.gz SIRIUUHNCGWMME-XYYAHUGASA-N -1 1 390.411 0.277 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC001571302052 946290702 /nfs/dbraw/zinc/29/07/02/946290702.db2.gz MRRDLVVZCMXFTB-UHFFFAOYSA-N -1 1 391.395 0.505 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571312513 946492908 /nfs/dbraw/zinc/49/29/08/946492908.db2.gz GKUJDDYDJLWTHM-CQSZACIVSA-N -1 1 392.427 0.906 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571312513 946492918 /nfs/dbraw/zinc/49/29/18/946492918.db2.gz GKUJDDYDJLWTHM-CQSZACIVSA-N -1 1 392.427 0.906 20 30 GCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571312528 946493424 /nfs/dbraw/zinc/49/34/24/946493424.db2.gz GVTHYMXLKOTPOW-CYBMUJFWSA-N -1 1 392.427 0.770 20 30 GCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571312528 946493430 /nfs/dbraw/zinc/49/34/30/946493430.db2.gz GVTHYMXLKOTPOW-CYBMUJFWSA-N -1 1 392.427 0.770 20 30 GCEDMM C#CCCCCCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573282395 946690821 /nfs/dbraw/zinc/69/08/21/946690821.db2.gz JTJCYXUJPRJITP-SFHVURJKSA-N -1 1 384.444 0.298 20 30 GCEDMM C#CCCCCCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573282395 946690827 /nfs/dbraw/zinc/69/08/27/946690827.db2.gz JTJCYXUJPRJITP-SFHVURJKSA-N -1 1 384.444 0.298 20 30 GCEDMM C#CCCCCC(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573282358 946691444 /nfs/dbraw/zinc/69/14/44/946691444.db2.gz IWBHXKCOFRLTNQ-UHFFFAOYSA-N -1 1 383.460 0.089 20 30 GCEDMM C#CCN(C(=O)c1cnco1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573282931 946702204 /nfs/dbraw/zinc/70/22/04/946702204.db2.gz NRMLTLNCYCZYQH-UHFFFAOYSA-N -1 1 379.384 0.389 20 30 GCEDMM C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@H]21 ZINC001573284873 946759570 /nfs/dbraw/zinc/75/95/70/946759570.db2.gz ACEZDVVNFUZCQD-NXOAAHMSSA-N -1 1 392.467 0.158 20 30 GCEDMM C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001573285652 946785987 /nfs/dbraw/zinc/78/59/87/946785987.db2.gz KKYJRFIMCHNKOK-HNNXBMFYSA-N -1 1 383.460 0.039 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001573287099 946825632 /nfs/dbraw/zinc/82/56/32/946825632.db2.gz FAKJPDVDGCYEOD-SWLSCSKDSA-N -1 1 389.423 0.466 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001573287097 946826892 /nfs/dbraw/zinc/82/68/92/946826892.db2.gz FAKJPDVDGCYEOD-DOMZBBRYSA-N -1 1 389.423 0.466 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)C)nc1 ZINC001573287451 946837731 /nfs/dbraw/zinc/83/77/31/946837731.db2.gz HPKWLBMWFOQPKV-HNNXBMFYSA-N -1 1 377.412 0.900 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)C)nc1 ZINC001573287451 946837743 /nfs/dbraw/zinc/83/77/43/946837743.db2.gz HPKWLBMWFOQPKV-HNNXBMFYSA-N -1 1 377.412 0.900 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nn3)CC2)nc1 ZINC001573287567 946839570 /nfs/dbraw/zinc/83/95/70/946839570.db2.gz DIHAZOYLRYRESG-UHFFFAOYSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)nn3)CC2)nc1 ZINC001573287567 946839575 /nfs/dbraw/zinc/83/95/75/946839575.db2.gz DIHAZOYLRYRESG-UHFFFAOYSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001573287748 946846175 /nfs/dbraw/zinc/84/61/75/946846175.db2.gz KUKQJSJAYJZWGB-CQSZACIVSA-N -1 1 389.423 0.562 20 30 GCEDMM C#CCOc1ccc(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573288085 946855544 /nfs/dbraw/zinc/85/55/44/946855544.db2.gz IHIJCSXKZIVRCA-LBPRGKRZSA-N -1 1 378.396 0.899 20 30 GCEDMM C#CCOc1ccc(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573288085 946855553 /nfs/dbraw/zinc/85/55/53/946855553.db2.gz IHIJCSXKZIVRCA-LBPRGKRZSA-N -1 1 378.396 0.899 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573288103 946858002 /nfs/dbraw/zinc/85/80/02/946858002.db2.gz NKYMABKPLWMWRO-SWLSCSKDSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573288103 946858012 /nfs/dbraw/zinc/85/80/12/946858012.db2.gz NKYMABKPLWMWRO-SWLSCSKDSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001573288171 946858406 /nfs/dbraw/zinc/85/84/06/946858406.db2.gz PNPRZZSCPLXCDP-CQSZACIVSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573288121 946858725 /nfs/dbraw/zinc/85/87/25/946858725.db2.gz NWPSHISUQJMTCB-CYBMUJFWSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573288121 946858741 /nfs/dbraw/zinc/85/87/41/946858741.db2.gz NWPSHISUQJMTCB-CYBMUJFWSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001573288166 946859401 /nfs/dbraw/zinc/85/94/01/946859401.db2.gz PNPRZZSCPLXCDP-AWEZNQCLSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573288250 946861046 /nfs/dbraw/zinc/86/10/46/946861046.db2.gz JEJMGGLAWSXCNE-IAQYHMDHSA-N -1 1 375.396 0.606 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573288250 946861059 /nfs/dbraw/zinc/86/10/59/946861059.db2.gz JEJMGGLAWSXCNE-IAQYHMDHSA-N -1 1 375.396 0.606 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573288615 946873709 /nfs/dbraw/zinc/87/37/09/946873709.db2.gz WKJLLGUCVYIZFE-UONOGXRCSA-N -1 1 384.444 0.479 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573288615 946873723 /nfs/dbraw/zinc/87/37/23/946873723.db2.gz WKJLLGUCVYIZFE-UONOGXRCSA-N -1 1 384.444 0.479 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)[C@@H]1C ZINC001573288797 946876072 /nfs/dbraw/zinc/87/60/72/946876072.db2.gz YOQIEWWPHADBNA-AGIUHOORSA-N -1 1 384.444 0.341 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)[C@@H]1C ZINC001573288797 946876083 /nfs/dbraw/zinc/87/60/83/946876083.db2.gz YOQIEWWPHADBNA-AGIUHOORSA-N -1 1 384.444 0.341 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573288904 946878900 /nfs/dbraw/zinc/87/89/00/946878900.db2.gz VHVHKNVJQDWGFG-AWEZNQCLSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573288904 946878913 /nfs/dbraw/zinc/87/89/13/946878913.db2.gz VHVHKNVJQDWGFG-AWEZNQCLSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H](O)CNc2snc(C)c2-c2nn[n-]n2)nc1 ZINC001573289500 946885995 /nfs/dbraw/zinc/88/59/95/946885995.db2.gz ZRASHZLSFZDFTH-LLVKDONJSA-N -1 1 384.425 0.211 20 30 GCEDMM C#Cc1ccccc1CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573289780 946892911 /nfs/dbraw/zinc/89/29/11/946892911.db2.gz CTAZZOBBLBAVKH-MRXNPFEDSA-N -1 1 388.435 0.609 20 30 GCEDMM C#Cc1ccccc1CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573289774 946893655 /nfs/dbraw/zinc/89/36/55/946893655.db2.gz CTAZZOBBLBAVKH-INIZCTEOSA-N -1 1 388.435 0.609 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)cn1 ZINC001573290254 946901003 /nfs/dbraw/zinc/90/10/03/946901003.db2.gz URAGQXGFEAWPNS-CQSZACIVSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)cn1 ZINC001573290254 946901009 /nfs/dbraw/zinc/90/10/09/946901009.db2.gz URAGQXGFEAWPNS-CQSZACIVSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1cncc(C(=O)N(CC)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001573290611 946908772 /nfs/dbraw/zinc/90/87/72/946908772.db2.gz MVHUUXQNQSMBSL-HNNXBMFYSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1cncc(C(=O)N(CC)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001573290611 946908781 /nfs/dbraw/zinc/90/87/81/946908781.db2.gz MVHUUXQNQSMBSL-HNNXBMFYSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1cncc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)c1 ZINC001573291335 946916458 /nfs/dbraw/zinc/91/64/58/946916458.db2.gz ZNJAPKSWBXXPHL-FZMZJTMJSA-N -1 1 375.396 0.028 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H](C)[C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001573291294 946917766 /nfs/dbraw/zinc/91/77/66/946917766.db2.gz AUEURAMNKCWYFS-VXGBXAGGSA-N -1 1 377.412 0.960 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H](C)[C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001573291294 946917771 /nfs/dbraw/zinc/91/77/71/946917771.db2.gz AUEURAMNKCWYFS-VXGBXAGGSA-N -1 1 377.412 0.960 20 30 GCEDMM C#Cc1cncc(C(=O)NCCN(CCC)c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001573291426 946919261 /nfs/dbraw/zinc/91/92/61/946919261.db2.gz CIFTYAAIRFGBIM-UHFFFAOYSA-N -1 1 377.412 0.679 20 30 GCEDMM C#Cc1cncc(C(=O)NCCN(CCC)c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001573291426 946919269 /nfs/dbraw/zinc/91/92/69/946919269.db2.gz CIFTYAAIRFGBIM-UHFFFAOYSA-N -1 1 377.412 0.679 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001573291875 946924893 /nfs/dbraw/zinc/92/48/93/946924893.db2.gz LIXZJOYUVOWRHK-HIFRSBDPSA-N -1 1 389.423 0.466 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)c1 ZINC001573292150 946928362 /nfs/dbraw/zinc/92/83/62/946928362.db2.gz PDSNVWVZXQAPBL-IAQYHMDHSA-N -1 1 375.396 0.288 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)c1 ZINC001573292150 946928373 /nfs/dbraw/zinc/92/83/73/946928373.db2.gz PDSNVWVZXQAPBL-IAQYHMDHSA-N -1 1 375.396 0.288 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cc(-c4nnn[n-]4)nc(CC)n3)C2)c1 ZINC001573292090 946929419 /nfs/dbraw/zinc/92/94/19/946929419.db2.gz OPWSVRCGSSNVPW-CQSZACIVSA-N -1 1 389.423 0.604 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cc(-c4nn[n-]n4)nc(CC)n3)C2)c1 ZINC001573292090 946929425 /nfs/dbraw/zinc/92/94/25/946929425.db2.gz OPWSVRCGSSNVPW-CQSZACIVSA-N -1 1 389.423 0.604 20 30 GCEDMM C=C(C)[C@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)OCC ZINC001573293085 946947891 /nfs/dbraw/zinc/94/78/91/946947891.db2.gz LWQHBTTVBMIMOW-ZFWWWQNUSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C(C)[C@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)OCC ZINC001573293085 946947899 /nfs/dbraw/zinc/94/78/99/946947899.db2.gz LWQHBTTVBMIMOW-ZFWWWQNUSA-N -1 1 386.460 0.971 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001573564208 946991689 /nfs/dbraw/zinc/99/16/89/946991689.db2.gz HXTHKXAMBMQMQP-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001573564208 946991696 /nfs/dbraw/zinc/99/16/96/946991696.db2.gz HXTHKXAMBMQMQP-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C=C1CCC(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573295992 947033391 /nfs/dbraw/zinc/03/33/91/947033391.db2.gz ISYXOWKOXGUTJM-AWEZNQCLSA-N -1 1 384.444 0.725 20 30 GCEDMM C=C1CCC(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573295992 947033401 /nfs/dbraw/zinc/03/34/01/947033401.db2.gz ISYXOWKOXGUTJM-AWEZNQCLSA-N -1 1 384.444 0.725 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001573295950 947035095 /nfs/dbraw/zinc/03/50/95/947035095.db2.gz WGYKWLOVBIHNTI-QCQGSNGOSA-N -1 1 382.428 0.427 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001573295950 947035110 /nfs/dbraw/zinc/03/51/10/947035110.db2.gz WGYKWLOVBIHNTI-QCQGSNGOSA-N -1 1 382.428 0.427 20 30 GCEDMM C=C[C@H](C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573299949 947103186 /nfs/dbraw/zinc/10/31/86/947103186.db2.gz HMNBSEONMJHTRM-KBPBESRZSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C[C@H](C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573299949 947103190 /nfs/dbraw/zinc/10/31/90/947103190.db2.gz HMNBSEONMJHTRM-KBPBESRZSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C1CC(C)(C(=O)N2CCCO[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573300535 947114835 /nfs/dbraw/zinc/11/48/35/947114835.db2.gz YOKMDJYTSZZKNQ-ZDUSSCGKSA-N -1 1 384.444 0.464 20 30 GCEDMM C=C(C)CCC(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001573300628 947117680 /nfs/dbraw/zinc/11/76/80/947117680.db2.gz RCMVLEVGPVMLAC-CQSZACIVSA-N -1 1 386.460 0.803 20 30 GCEDMM C=C(C)CCC(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001573300628 947117687 /nfs/dbraw/zinc/11/76/87/947117687.db2.gz RCMVLEVGPVMLAC-CQSZACIVSA-N -1 1 386.460 0.803 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573300872 947123876 /nfs/dbraw/zinc/12/38/76/947123876.db2.gz VWUSAPXWALKMME-FRRDWIJNSA-N -1 1 385.432 0.187 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573300872 947123880 /nfs/dbraw/zinc/12/38/80/947123880.db2.gz VWUSAPXWALKMME-FRRDWIJNSA-N -1 1 385.432 0.187 20 30 GCEDMM C=CC(C)(C)CC(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573306827 947175729 /nfs/dbraw/zinc/17/57/29/947175729.db2.gz NJZPTNPJOMZUCX-UHFFFAOYSA-N -1 1 386.460 0.707 20 30 GCEDMM C=C[C@](C)(CC)C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001573307146 947178687 /nfs/dbraw/zinc/17/86/87/947178687.db2.gz PJVHIUBKOWGIEU-SCLBCKFNSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C[C@](C)(CC)C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001573307146 947178696 /nfs/dbraw/zinc/17/86/96/947178696.db2.gz PJVHIUBKOWGIEU-SCLBCKFNSA-N -1 1 386.460 0.971 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCO1 ZINC001573581991 947186501 /nfs/dbraw/zinc/18/65/01/947186501.db2.gz BJOPYVDMZGVVHO-HTQZYQBOSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001573581991 947186505 /nfs/dbraw/zinc/18/65/05/947186505.db2.gz BJOPYVDMZGVVHO-HTQZYQBOSA-N -1 1 382.837 0.458 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573309287 947196616 /nfs/dbraw/zinc/19/66/16/947196616.db2.gz GLNYQIMWHUFXSX-FHSNZYRGSA-N -1 1 384.444 0.554 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573309287 947196622 /nfs/dbraw/zinc/19/66/22/947196622.db2.gz GLNYQIMWHUFXSX-FHSNZYRGSA-N -1 1 384.444 0.554 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573309666 947206653 /nfs/dbraw/zinc/20/66/53/947206653.db2.gz MQPAFSHKDQKUMA-FZKQIMNGSA-N -1 1 386.460 0.943 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573309666 947206664 /nfs/dbraw/zinc/20/66/64/947206664.db2.gz MQPAFSHKDQKUMA-FZKQIMNGSA-N -1 1 386.460 0.943 20 30 GCEDMM CCOC(=O)Cc1csc(NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)n1 ZINC000825517757 947210429 /nfs/dbraw/zinc/21/04/29/947210429.db2.gz LNTLBBGOVPRIMD-UHFFFAOYSA-N -1 1 387.385 0.136 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573584288 947216082 /nfs/dbraw/zinc/21/60/82/947216082.db2.gz SQMFRRTZBNRUFV-ZJUUUORDSA-N -1 1 377.359 0.394 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N(CCC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573310103 947217510 /nfs/dbraw/zinc/21/75/10/947217510.db2.gz UASAZPKKYXDDOD-SCLBCKFNSA-N -1 1 386.460 0.801 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N(CCC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573310103 947217521 /nfs/dbraw/zinc/21/75/21/947217521.db2.gz UASAZPKKYXDDOD-SCLBCKFNSA-N -1 1 386.460 0.801 20 30 GCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573310589 947223064 /nfs/dbraw/zinc/22/30/64/947223064.db2.gz YGFBTZHRHVAPAR-FZKQIMNGSA-N -1 1 386.460 0.889 20 30 GCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573310589 947223078 /nfs/dbraw/zinc/22/30/78/947223078.db2.gz YGFBTZHRHVAPAR-FZKQIMNGSA-N -1 1 386.460 0.889 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573584560 947227753 /nfs/dbraw/zinc/22/77/53/947227753.db2.gz YDCYJXRDHFGLPL-IUODEOHRSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573584560 947227766 /nfs/dbraw/zinc/22/77/66/947227766.db2.gz YDCYJXRDHFGLPL-IUODEOHRSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F ZINC001573584539 947228274 /nfs/dbraw/zinc/22/82/74/947228274.db2.gz XVLSAIXXDGVCAR-VHSXEESVSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F ZINC001573584539 947228289 /nfs/dbraw/zinc/22/82/89/947228289.db2.gz XVLSAIXXDGVCAR-VHSXEESVSA-N -1 1 377.359 0.394 20 30 GCEDMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(CC#N)cc2)c1-c1nn[n-]n1 ZINC000825571197 947233894 /nfs/dbraw/zinc/23/38/94/947233894.db2.gz VCELCDXJDKVIHB-UHFFFAOYSA-N -1 1 380.368 0.945 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1ccc(CCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573585140 947246861 /nfs/dbraw/zinc/24/68/61/947246861.db2.gz LFBUXSCRPGPOLJ-GFCCVEGCSA-N -1 1 377.412 0.509 20 30 GCEDMM C=C[C@@H](CC)CC(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573315943 947260664 /nfs/dbraw/zinc/26/06/64/947260664.db2.gz QZKFZJRHOMMVJF-AWEZNQCLSA-N -1 1 385.476 0.497 20 30 GCEDMM C=C[C@@H](CC)CC(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573315943 947260676 /nfs/dbraw/zinc/26/06/76/947260676.db2.gz QZKFZJRHOMMVJF-AWEZNQCLSA-N -1 1 385.476 0.497 20 30 GCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1c1ccccc1 ZINC001573585638 947262766 /nfs/dbraw/zinc/26/27/66/947262766.db2.gz UBXYCXWJRKSXRY-DUVNUKRYSA-N -1 1 389.423 0.905 20 30 GCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1c1ccccc1 ZINC001573585638 947262779 /nfs/dbraw/zinc/26/27/79/947262779.db2.gz UBXYCXWJRKSXRY-DUVNUKRYSA-N -1 1 389.423 0.905 20 30 GCEDMM C=C[C@H](CC)CC(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573315944 947263848 /nfs/dbraw/zinc/26/38/48/947263848.db2.gz QZKFZJRHOMMVJF-CQSZACIVSA-N -1 1 385.476 0.497 20 30 GCEDMM C=C[C@H](CC)CC(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573315944 947263863 /nfs/dbraw/zinc/26/38/63/947263863.db2.gz QZKFZJRHOMMVJF-CQSZACIVSA-N -1 1 385.476 0.497 20 30 GCEDMM CCOc1ccc(OCCNC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC000825643724 947270528 /nfs/dbraw/zinc/27/05/28/947270528.db2.gz SIAZHXJHABAETL-UHFFFAOYSA-N -1 1 382.384 0.529 20 30 GCEDMM C=CCC1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001573325638 947360970 /nfs/dbraw/zinc/36/09/70/947360970.db2.gz FPLHWCIXRVVBHC-UHFFFAOYSA-N -1 1 384.444 0.512 20 30 GCEDMM CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000825892016 947362857 /nfs/dbraw/zinc/36/28/57/947362857.db2.gz BVFKROCTPJLNFA-UHFFFAOYSA-N -1 1 399.802 0.685 20 30 GCEDMM C=CCC1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)CCC1 ZINC001573326069 947365045 /nfs/dbraw/zinc/36/50/45/947365045.db2.gz JWECNXYUVJUNQD-JSGCOSHPSA-N -1 1 384.444 0.459 20 30 GCEDMM C=CCC1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)CCC1 ZINC001573326069 947365054 /nfs/dbraw/zinc/36/50/54/947365054.db2.gz JWECNXYUVJUNQD-JSGCOSHPSA-N -1 1 384.444 0.459 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CNc1ccc(C#N)cc1 ZINC000825929100 947374876 /nfs/dbraw/zinc/37/48/76/947374876.db2.gz ALWXBNHXEFTYJI-UHFFFAOYSA-N -1 1 380.416 0.547 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CNc1ccc(C#N)cc1 ZINC000825929100 947374890 /nfs/dbraw/zinc/37/48/90/947374890.db2.gz ALWXBNHXEFTYJI-UHFFFAOYSA-N -1 1 380.416 0.547 20 30 GCEDMM C=CCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573328091 947402316 /nfs/dbraw/zinc/40/23/16/947402316.db2.gz RFEKCNQJDHVXJD-DZGCQCFKSA-N -1 1 394.443 0.763 20 30 GCEDMM C=CCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573328091 947402323 /nfs/dbraw/zinc/40/23/23/947402323.db2.gz RFEKCNQJDHVXJD-DZGCQCFKSA-N -1 1 394.443 0.763 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2OC)CCC1 ZINC001573328764 947413358 /nfs/dbraw/zinc/41/33/58/947413358.db2.gz CDKBBARGZPRJIZ-ZIAGYGMSSA-N -1 1 384.444 0.723 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2OC)CCC1 ZINC001573328764 947413365 /nfs/dbraw/zinc/41/33/65/947413365.db2.gz CDKBBARGZPRJIZ-ZIAGYGMSSA-N -1 1 384.444 0.723 20 30 GCEDMM COC(=O)C(C(=O)Cn1cnc(C#N)c1-c1nn[n-]n1)=C1Nc2ccccc2N1 ZINC000826098614 947426366 /nfs/dbraw/zinc/42/63/66/947426366.db2.gz KALZPDSKCGNSJJ-UHFFFAOYSA-N -1 1 391.351 0.426 20 30 GCEDMM C=CCCOCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573336589 947508336 /nfs/dbraw/zinc/50/83/36/947508336.db2.gz PLSKKZFLALJMLF-QGZVFWFLSA-N -1 1 388.432 0.015 20 30 GCEDMM C=CCCOCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573336589 947508338 /nfs/dbraw/zinc/50/83/38/947508338.db2.gz PLSKKZFLALJMLF-QGZVFWFLSA-N -1 1 388.432 0.015 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573336568 947509077 /nfs/dbraw/zinc/50/90/77/947509077.db2.gz PAYJABJQBCJBAQ-MELADBBJSA-N -1 1 386.460 0.757 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573337387 947515804 /nfs/dbraw/zinc/51/58/04/947515804.db2.gz WUVDIOKSKQCFSM-KGLIPLIRSA-N -1 1 386.460 0.923 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573337387 947515808 /nfs/dbraw/zinc/51/58/08/947515808.db2.gz WUVDIOKSKQCFSM-KGLIPLIRSA-N -1 1 386.460 0.923 20 30 GCEDMM C=CCOCC(=O)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C1 ZINC001573342755 947544229 /nfs/dbraw/zinc/54/42/29/947544229.db2.gz BZUBSJAGKOPLRX-MJBXVCDLSA-N -1 1 384.444 0.898 20 30 GCEDMM C=CCOCC(=O)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C1 ZINC001573342755 947544240 /nfs/dbraw/zinc/54/42/40/947544240.db2.gz BZUBSJAGKOPLRX-MJBXVCDLSA-N -1 1 384.444 0.898 20 30 GCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)[C@H](C)C1 ZINC001573344208 947568915 /nfs/dbraw/zinc/56/89/15/947568915.db2.gz ZIESAJJLHCJDSX-CHWSQXEVSA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)[C@H](C)C1 ZINC001573344208 947568922 /nfs/dbraw/zinc/56/89/22/947568922.db2.gz ZIESAJJLHCJDSX-CHWSQXEVSA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573347704 947576234 /nfs/dbraw/zinc/57/62/34/947576234.db2.gz GVBIITVCKBYTOM-NFAWXSAZSA-N -1 1 384.444 0.865 20 30 GCEDMM C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573347704 947576241 /nfs/dbraw/zinc/57/62/41/947576241.db2.gz GVBIITVCKBYTOM-NFAWXSAZSA-N -1 1 384.444 0.865 20 30 GCEDMM C=CCOCCCC(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573348994 947588921 /nfs/dbraw/zinc/58/89/21/947588921.db2.gz XSKLWFGWVMVAKK-UONOGXRCSA-N -1 1 386.460 0.710 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573350735 947601474 /nfs/dbraw/zinc/60/14/74/947601474.db2.gz FJPSQWZEKJNNFU-TUVASFSCSA-N -1 1 398.471 0.826 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573350721 947602057 /nfs/dbraw/zinc/60/20/57/947602057.db2.gz JCLJAUQAJGEUEK-MJBXVCDLSA-N -1 1 384.444 0.723 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573350721 947602061 /nfs/dbraw/zinc/60/20/61/947602061.db2.gz JCLJAUQAJGEUEK-MJBXVCDLSA-N -1 1 384.444 0.723 20 30 GCEDMM C=CCn1cc(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)C)nn1 ZINC001573351841 947622065 /nfs/dbraw/zinc/62/20/65/947622065.db2.gz VXOLKHOIICQFPA-LLVKDONJSA-N -1 1 383.420 0.301 20 30 GCEDMM C=CCn1cc(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)C)nn1 ZINC001573351841 947622072 /nfs/dbraw/zinc/62/20/72/947622072.db2.gz VXOLKHOIICQFPA-LLVKDONJSA-N -1 1 383.420 0.301 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573351933 947624274 /nfs/dbraw/zinc/62/42/74/947624274.db2.gz XVSCBEJYGPREFB-SNPRPXQTSA-N -1 1 396.455 0.723 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573351933 947624278 /nfs/dbraw/zinc/62/42/78/947624278.db2.gz XVSCBEJYGPREFB-SNPRPXQTSA-N -1 1 396.455 0.723 20 30 GCEDMM CC#CCCCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573358174 947659719 /nfs/dbraw/zinc/65/97/19/947659719.db2.gz HPOIOMBTLZTAEK-ZJUUUORDSA-N -1 1 395.876 0.836 20 30 GCEDMM CC#CCCCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573358174 947659725 /nfs/dbraw/zinc/65/97/25/947659725.db2.gz HPOIOMBTLZTAEK-ZJUUUORDSA-N -1 1 395.876 0.836 20 30 GCEDMM Cc1nn(C)c(N2CCOCC2)c1C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC000826264942 947764207 /nfs/dbraw/zinc/76/42/07/947764207.db2.gz GXGIJKFQVBWHIH-UHFFFAOYSA-N -1 1 397.443 0.406 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1-c1nnn[n-]1 ZINC000826344391 948008000 /nfs/dbraw/zinc/00/80/00/948008000.db2.gz GMYPHSXZDQCYSJ-OAHLLOKOSA-N -1 1 392.423 0.942 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1-c1nn[n-]n1 ZINC000826344391 948008004 /nfs/dbraw/zinc/00/80/04/948008004.db2.gz GMYPHSXZDQCYSJ-OAHLLOKOSA-N -1 1 392.423 0.942 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000826383364 948182072 /nfs/dbraw/zinc/18/20/72/948182072.db2.gz XJTQWUQJPXRXAR-UHFFFAOYSA-N -1 1 385.754 0.939 20 30 GCEDMM N#Cc1ncn(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826388079 948192218 /nfs/dbraw/zinc/19/22/18/948192218.db2.gz HSJMULSFAXAFAX-UHFFFAOYSA-N -1 1 395.339 0.054 20 30 GCEDMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001573818164 949721634 /nfs/dbraw/zinc/72/16/34/949721634.db2.gz HIFGWIJLTDTVGC-LBPRGKRZSA-N -1 1 380.416 0.535 20 30 GCEDMM C[C@H]1CCCN(C(=O)CSCC#N)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171561 949770549 /nfs/dbraw/zinc/77/05/49/949770549.db2.gz RTKYOXYQLXJRDV-WCQYABFASA-N -1 1 387.473 0.952 20 30 GCEDMM C[C@H]1CCCN(C(=O)CSCC#N)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171561 949770558 /nfs/dbraw/zinc/77/05/58/949770558.db2.gz RTKYOXYQLXJRDV-WCQYABFASA-N -1 1 387.473 0.952 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575887690 949904730 /nfs/dbraw/zinc/90/47/30/949904730.db2.gz OLGCLNFGJAREFE-GXFFZTMASA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575887690 949904750 /nfs/dbraw/zinc/90/47/50/949904750.db2.gz OLGCLNFGJAREFE-GXFFZTMASA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575889886 949936436 /nfs/dbraw/zinc/93/64/36/949936436.db2.gz UPDLCNAIDALYIQ-ZWNOBZJWSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575892085 950047976 /nfs/dbraw/zinc/04/79/76/950047976.db2.gz RHHSQRDIHDNLLF-CMPLNLGQSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575892087 950050887 /nfs/dbraw/zinc/05/08/87/950050887.db2.gz RHHSQRDIHDNLLF-PWSUYJOCSA-N -1 1 378.400 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/nfs/dbraw/zinc/81/37/94/1205813794.db2.gz HSLIWLODKHQRIK-ADLMAVQZSA-N -1 1 382.380 0.909 20 30 GCEDMM N=C(c1nonc1N)N([O-])C(=O)CCCC(=O)N1CC(=O)Nc2ccccc21 ZINC001180092730 1205817067 /nfs/dbraw/zinc/81/70/67/1205817067.db2.gz FPUGQRNXEMAXPE-UHFFFAOYSA-N -1 1 387.356 0.351 20 30 GCEDMM COC(=O)[C@H](CCC(=O)N([O-])C(=N)c1nonc1N)NC(=O)OC(C)(C)C ZINC001181114460 1205838616 /nfs/dbraw/zinc/83/86/16/1205838616.db2.gz PUHMXQBFLZWCOB-ZETCQYMHSA-N -1 1 386.365 0.041 20 30 GCEDMM C[N-]S(=O)(=O)c1cc(C(=O)OC2(C#N)CN(C(=O)OC(C)(C)C)C2)co1 ZINC000774239665 1205866044 /nfs/dbraw/zinc/86/60/44/1205866044.db2.gz BPXOTIGDTLAVRN-UHFFFAOYSA-N -1 1 385.398 0.858 20 30 GCEDMM NC(=O)[C@@H]1C[C@@H]1C(=O)N([O-])C(=Nc1ccc(F)c(Cl)c1)c1nonc1N ZINC001182374089 1205867451 /nfs/dbraw/zinc/86/74/51/1205867451.db2.gz FMFOASFOLJFDAT-RQJHMYQMSA-N -1 1 382.739 0.862 20 30 GCEDMM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)Cc1ccc2nc[nH]c2c1 ZINC001182846858 1205880349 /nfs/dbraw/zinc/88/03/49/1205880349.db2.gz NAGVZEZTKILYLF-AWEZNQCLSA-N -1 1 388.386 0.648 20 30 GCEDMM CCOC(=O)[C@@H](C#N)NC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184360827 1205908300 /nfs/dbraw/zinc/90/83/00/1205908300.db2.gz RTZJIJCZGUMTGF-CQSZACIVSA-N -1 1 387.392 0.810 20 30 GCEDMM C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)CC[N-]C(=O)C(F)(F)F)C1=O ZINC001187955590 1205972270 /nfs/dbraw/zinc/97/22/70/1205972270.db2.gz LVDVHAFJAUEUGQ-MRXNPFEDSA-N -1 1 396.325 0.963 20 30 GCEDMM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001189536961 1206010856 /nfs/dbraw/zinc/01/08/56/1206010856.db2.gz SRJPTFPYVOYMLZ-QMMMGPOBSA-N -1 1 392.296 0.585 20 30 GCEDMM C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000819701341 945272208 /nfs/dbraw/zinc/27/22/08/945272208.db2.gz DHTYUWPKMMPUDX-UHFFFAOYSA-N -1 1 398.404 0.736 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001571296048 946181809 /nfs/dbraw/zinc/18/18/09/946181809.db2.gz MLHKTFPEDPTFJE-LSDHHAIUSA-N -1 1 390.411 0.740 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001571296048 946181816 /nfs/dbraw/zinc/18/18/16/946181816.db2.gz MLHKTFPEDPTFJE-LSDHHAIUSA-N -1 1 390.411 0.740 20 30 GCEDMM N#Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001571296064 946184524 /nfs/dbraw/zinc/18/45/24/946184524.db2.gz MQJMQDLCNSZJNS-XHDPSFHLSA-N -1 1 390.411 0.597 20 30 GCEDMM N#Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001571296064 946184533 /nfs/dbraw/zinc/18/45/33/946184533.db2.gz MQJMQDLCNSZJNS-XHDPSFHLSA-N -1 1 390.411 0.597 20 30 GCEDMM N#Cc1cc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001571296061 946184933 /nfs/dbraw/zinc/18/49/33/946184933.db2.gz MQJMQDLCNSZJNS-ABAIWWIYSA-N -1 1 390.411 0.597 20 30 GCEDMM N#Cc1cc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001571296061 946184938 /nfs/dbraw/zinc/18/49/38/946184938.db2.gz MQJMQDLCNSZJNS-ABAIWWIYSA-N -1 1 390.411 0.597 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)[nH]1 ZINC001571296513 946196869 /nfs/dbraw/zinc/19/68/69/946196869.db2.gz ZSOGAFQOLQTUNN-ZDUSSCGKSA-N -1 1 390.411 0.645 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)[nH]1 ZINC001571296513 946196880 /nfs/dbraw/zinc/19/68/80/946196880.db2.gz ZSOGAFQOLQTUNN-ZDUSSCGKSA-N -1 1 390.411 0.645 20 30 GCEDMM N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001571312401 946492077 /nfs/dbraw/zinc/49/20/77/946492077.db2.gz BUMGHISHDUNSRI-HIFRSBDPSA-N -1 1 392.427 0.543 20 30 GCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571312529 946493145 /nfs/dbraw/zinc/49/31/45/946493145.db2.gz GVTHYMXLKOTPOW-ZDUSSCGKSA-N -1 1 392.427 0.770 20 30 GCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571312529 946493155 /nfs/dbraw/zinc/49/31/55/946493155.db2.gz GVTHYMXLKOTPOW-ZDUSSCGKSA-N -1 1 392.427 0.770 20 30 GCEDMM C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571312831 946502644 /nfs/dbraw/zinc/50/26/44/946502644.db2.gz LBHZEKZODQABPS-AAEUAGOBSA-N -1 1 392.427 0.891 20 30 GCEDMM C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571312831 946502653 /nfs/dbraw/zinc/50/26/53/946502653.db2.gz LBHZEKZODQABPS-AAEUAGOBSA-N -1 1 392.427 0.891 20 30 GCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001571312849 946503541 /nfs/dbraw/zinc/50/35/41/946503541.db2.gz LDIITRCPNZPJTP-LBPRGKRZSA-N -1 1 392.427 0.818 20 30 GCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001571312849 946503549 /nfs/dbraw/zinc/50/35/49/946503549.db2.gz LDIITRCPNZPJTP-LBPRGKRZSA-N -1 1 392.427 0.818 20 30 GCEDMM C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571313269 946518177 /nfs/dbraw/zinc/51/81/77/946518177.db2.gz PHEBSBPWIOZWCH-NSHDSACASA-N -1 1 392.427 0.891 20 30 GCEDMM C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571313269 946518179 /nfs/dbraw/zinc/51/81/79/946518179.db2.gz PHEBSBPWIOZWCH-NSHDSACASA-N -1 1 392.427 0.891 20 30 GCEDMM N#Cc1cc(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571313596 946527967 /nfs/dbraw/zinc/52/79/67/946527967.db2.gz SRUNCBJMGCOSLS-CYBMUJFWSA-N -1 1 392.427 0.775 20 30 GCEDMM C#CCN(C(=O)c1n[nH]cc1C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573281866 946681489 /nfs/dbraw/zinc/68/14/89/946681489.db2.gz CGYARZDHCPWVFY-UHFFFAOYSA-N -1 1 392.427 0.433 20 30 GCEDMM C#CCN(C(=O)c1n[nH]cc1C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573281866 946681496 /nfs/dbraw/zinc/68/14/96/946681496.db2.gz CGYARZDHCPWVFY-UHFFFAOYSA-N -1 1 392.427 0.433 20 30 GCEDMM C#CCN(C(=O)[C@@H]1CCCO1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573283825 946727088 /nfs/dbraw/zinc/72/70/88/946727088.db2.gz WCOGYZRSWPSKBB-HNNXBMFYSA-N -1 1 382.428 0.266 20 30 GCEDMM C#CCN(C(=O)[C@@H]1CCCO1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573283825 946727098 /nfs/dbraw/zinc/72/70/98/946727098.db2.gz WCOGYZRSWPSKBB-HNNXBMFYSA-N -1 1 382.428 0.266 20 30 GCEDMM C#CCN(C(=O)[C@H]1CCCO1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573283830 946728333 /nfs/dbraw/zinc/72/83/33/946728333.db2.gz WCOGYZRSWPSKBB-OAHLLOKOSA-N -1 1 382.428 0.266 20 30 GCEDMM C#CCN(C(=O)[C@H]1CCCO1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573283830 946728337 /nfs/dbraw/zinc/72/83/37/946728337.db2.gz WCOGYZRSWPSKBB-OAHLLOKOSA-N -1 1 382.428 0.266 20 30 GCEDMM C#CCCCC(=O)N(C)C[C@@H](O)CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573284577 946749513 /nfs/dbraw/zinc/74/95/13/946749513.db2.gz GNAUDSLDCMTVIW-GFCCVEGCSA-N -1 1 377.474 0.691 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573285519 946779967 /nfs/dbraw/zinc/77/99/67/946779967.db2.gz IOULASWDVSPUAY-RKDXNWHRSA-N -1 1 383.865 0.956 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573285519 946779976 /nfs/dbraw/zinc/77/99/76/946779976.db2.gz IOULASWDVSPUAY-RKDXNWHRSA-N -1 1 383.865 0.956 20 30 GCEDMM C#CCO[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573286652 946815407 /nfs/dbraw/zinc/81/54/07/946815407.db2.gz GYPPGBBFXBZREN-RLAWYHOSSA-N -1 1 382.428 0.311 20 30 GCEDMM C#CCO[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573286652 946815417 /nfs/dbraw/zinc/81/54/17/946815417.db2.gz GYPPGBBFXBZREN-RLAWYHOSSA-N -1 1 382.428 0.311 20 30 GCEDMM C#CCOCCC(=O)N(C)CCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573286992 946824818 /nfs/dbraw/zinc/82/48/18/946824818.db2.gz JYCLDKGNWBNSLP-UHFFFAOYSA-N -1 1 383.865 0.911 20 30 GCEDMM C#CCOCCC(=O)N(C)CCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573286992 946824825 /nfs/dbraw/zinc/82/48/25/946824825.db2.gz JYCLDKGNWBNSLP-UHFFFAOYSA-N -1 1 383.865 0.911 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)C)cn1 ZINC001573287464 946836855 /nfs/dbraw/zinc/83/68/55/946836855.db2.gz IDHSBZCSAUEDNC-HNNXBMFYSA-N -1 1 377.412 0.900 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)C)cn1 ZINC001573287464 946836866 /nfs/dbraw/zinc/83/68/66/946836866.db2.gz IDHSBZCSAUEDNC-HNNXBMFYSA-N -1 1 377.412 0.900 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573287517 946838457 /nfs/dbraw/zinc/83/84/57/946838457.db2.gz JFNLBDMAOJIKKH-AWEZNQCLSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC001573287474 946838670 /nfs/dbraw/zinc/83/86/70/946838670.db2.gz IIHOYYAABFXIAO-HNNXBMFYSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC001573287474 946838678 /nfs/dbraw/zinc/83/86/78/946838678.db2.gz IIHOYYAABFXIAO-HNNXBMFYSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1ccc(C(=O)NCC=CCNc2nc(C)cc(-c3nnn[n-]3)n2)nc1 ZINC001573287548 946840222 /nfs/dbraw/zinc/84/02/22/946840222.db2.gz JLOXFGWAOPLLOP-SNAWJCMRSA-N -1 1 375.396 0.740 20 30 GCEDMM C#Cc1ccc(C(=O)NCC=CCNc2nc(C)cc(-c3nn[n-]n3)n2)nc1 ZINC001573287548 946840241 /nfs/dbraw/zinc/84/02/41/946840241.db2.gz JLOXFGWAOPLLOP-SNAWJCMRSA-N -1 1 375.396 0.740 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)nc1 ZINC001573287600 946840589 /nfs/dbraw/zinc/84/05/89/946840589.db2.gz JYWYEVZEEGEGDO-WCQYABFASA-N -1 1 375.396 0.748 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)nc1 ZINC001573287600 946840598 /nfs/dbraw/zinc/84/05/98/946840598.db2.gz JYWYEVZEEGEGDO-WCQYABFASA-N -1 1 375.396 0.748 20 30 GCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573287568 946841118 /nfs/dbraw/zinc/84/11/18/946841118.db2.gz NQBXTDQXMPXGQM-VIFPVBQESA-N -1 1 381.849 0.711 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)cn1 ZINC001573287761 946846857 /nfs/dbraw/zinc/84/68/57/946846857.db2.gz KWEQJGHZUAKPHW-DOMZBBRYSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)nc1 ZINC001573287722 946847831 /nfs/dbraw/zinc/84/78/31/946847831.db2.gz KMVHOQREBCJRBF-CQSZACIVSA-N -1 1 389.423 0.678 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573288101 946855623 /nfs/dbraw/zinc/85/56/23/946855623.db2.gz NKYMABKPLWMWRO-DOMZBBRYSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573288101 946855632 /nfs/dbraw/zinc/85/56/32/946855632.db2.gz NKYMABKPLWMWRO-DOMZBBRYSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1ccc(C(=O)NCC2=CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001573288091 946856264 /nfs/dbraw/zinc/85/62/64/946856264.db2.gz MYXUKCSICHSELV-UHFFFAOYSA-N -1 1 387.407 0.600 20 30 GCEDMM C#Cc1ccc(C(=O)NCC2=CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001573288091 946856272 /nfs/dbraw/zinc/85/62/72/946856272.db2.gz MYXUKCSICHSELV-UHFFFAOYSA-N -1 1 387.407 0.600 20 30 GCEDMM C#Cc1ccc(C(=O)NCCN(CC)c2cc(-c3nnn[n-]3)nc(CC)n2)cn1 ZINC001573288148 946857885 /nfs/dbraw/zinc/85/78/85/946857885.db2.gz PAXDAANGJZUTOZ-UHFFFAOYSA-N -1 1 391.439 0.852 20 30 GCEDMM C#Cc1ccc(C(=O)NCCN(CC)c2cc(-c3nn[n-]n3)nc(CC)n2)cn1 ZINC001573288148 946857895 /nfs/dbraw/zinc/85/78/95/946857895.db2.gz PAXDAANGJZUTOZ-UHFFFAOYSA-N -1 1 391.439 0.852 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573288257 946860418 /nfs/dbraw/zinc/86/04/18/946860418.db2.gz JEJMGGLAWSXCNE-XHDPSFHLSA-N -1 1 375.396 0.606 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573288257 946860427 /nfs/dbraw/zinc/86/04/27/946860427.db2.gz JEJMGGLAWSXCNE-XHDPSFHLSA-N -1 1 375.396 0.606 20 30 GCEDMM C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nn[n-]n1 ZINC001573288350 946864126 /nfs/dbraw/zinc/86/41/26/946864126.db2.gz JZNUSBGSQWUWRN-UPJWGTAASA-N -1 1 387.469 0.897 20 30 GCEDMM C#Cc1ccc(C(=O)NCCN(CCC)c2cncc(-c3nnn[n-]3)n2)nc1 ZINC001573288418 946864722 /nfs/dbraw/zinc/86/47/22/946864722.db2.gz PZKJMRBQNZKTKI-UHFFFAOYSA-N -1 1 377.412 0.679 20 30 GCEDMM C#Cc1ccc(C(=O)NCCN(CCC)c2cncc(-c3nn[n-]n3)n2)nc1 ZINC001573288418 946864734 /nfs/dbraw/zinc/86/47/34/946864734.db2.gz PZKJMRBQNZKTKI-UHFFFAOYSA-N -1 1 377.412 0.679 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001573288489 946866184 /nfs/dbraw/zinc/86/61/84/946866184.db2.gz QWZYCHGMYXTRHC-ZDUSSCGKSA-N -1 1 375.396 0.172 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001573288638 946872598 /nfs/dbraw/zinc/87/25/98/946872598.db2.gz SIAKBEHDVYCMMR-NNUKFRKNSA-N -1 1 389.423 0.962 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573288638 946872605 /nfs/dbraw/zinc/87/26/05/946872605.db2.gz SIAKBEHDVYCMMR-NNUKFRKNSA-N -1 1 389.423 0.962 20 30 GCEDMM C#CCOCCC(=O)N(C)CCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573288819 946879268 /nfs/dbraw/zinc/87/92/68/946879268.db2.gz YPWYDOVSQDXAGT-UHFFFAOYSA-N -1 1 383.865 0.911 20 30 GCEDMM C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573288830 946879653 /nfs/dbraw/zinc/87/96/53/946879653.db2.gz YUABHJMFFCBYGY-DTWKUNHWSA-N -1 1 383.865 0.956 20 30 GCEDMM C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573288830 946879665 /nfs/dbraw/zinc/87/96/65/946879665.db2.gz YUABHJMFFCBYGY-DTWKUNHWSA-N -1 1 383.865 0.956 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)nc1 ZINC001573289494 946885858 /nfs/dbraw/zinc/88/58/58/946885858.db2.gz ZJXQGYPOCHXOAU-TZMCWYRMSA-N -1 1 389.423 0.535 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)nc1 ZINC001573289494 946885863 /nfs/dbraw/zinc/88/58/63/946885863.db2.gz ZJXQGYPOCHXOAU-TZMCWYRMSA-N -1 1 389.423 0.535 20 30 GCEDMM C#Cc1ccccc1CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573289753 946893353 /nfs/dbraw/zinc/89/33/53/946893353.db2.gz CLRDYENZBFEQMW-HNNXBMFYSA-N -1 1 392.423 0.112 20 30 GCEDMM C#Cc1ccccc1CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573289753 946893365 /nfs/dbraw/zinc/89/33/65/946893365.db2.gz CLRDYENZBFEQMW-HNNXBMFYSA-N -1 1 392.423 0.112 20 30 GCEDMM C#CCOc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573290281 946900973 /nfs/dbraw/zinc/90/09/73/946900973.db2.gz VBOSOXYMFGDQLP-STQMWFEESA-N -1 1 392.423 0.710 20 30 GCEDMM C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573291337 946916941 /nfs/dbraw/zinc/91/69/41/946916941.db2.gz ZNJAPKSWBXXPHL-SMDDNHRTSA-N -1 1 375.396 0.028 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573291389 946918051 /nfs/dbraw/zinc/91/80/51/946918051.db2.gz ZRJOXKCMRIFTNP-ZDUSSCGKSA-N -1 1 376.424 0.822 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573291389 946918059 /nfs/dbraw/zinc/91/80/59/946918059.db2.gz ZRJOXKCMRIFTNP-ZDUSSCGKSA-N -1 1 376.424 0.822 20 30 GCEDMM C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001573291529 946919555 /nfs/dbraw/zinc/91/95/55/946919555.db2.gz FJOOLRSPZXUHRW-BXUZGUMPSA-N -1 1 375.396 0.606 20 30 GCEDMM C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001573291529 946919559 /nfs/dbraw/zinc/91/95/59/946919559.db2.gz FJOOLRSPZXUHRW-BXUZGUMPSA-N -1 1 375.396 0.606 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001573291825 946925075 /nfs/dbraw/zinc/92/50/75/946925075.db2.gz JYLVXKYLYYXVOM-XBXGTLAGSA-N -1 1 375.396 0.654 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001573291825 946925080 /nfs/dbraw/zinc/92/50/80/946925080.db2.gz JYLVXKYLYYXVOM-XBXGTLAGSA-N -1 1 375.396 0.654 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001573292056 946926329 /nfs/dbraw/zinc/92/63/29/946926329.db2.gz NLJMRIAHFMSGAT-CQSZACIVSA-N -1 1 375.396 0.750 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001573292056 946926336 /nfs/dbraw/zinc/92/63/36/946926336.db2.gz NLJMRIAHFMSGAT-CQSZACIVSA-N -1 1 375.396 0.750 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001573292035 946927202 /nfs/dbraw/zinc/92/72/02/946927202.db2.gz NDCAHTNPTOEOIA-OAHLLOKOSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001573292035 946927207 /nfs/dbraw/zinc/92/72/07/946927207.db2.gz NDCAHTNPTOEOIA-OAHLLOKOSA-N -1 1 389.423 0.774 20 30 GCEDMM C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001573293387 946955172 /nfs/dbraw/zinc/95/51/72/946955172.db2.gz VCNIAWMPDOQVAQ-CYBMUJFWSA-N -1 1 386.460 0.889 20 30 GCEDMM C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001573293387 946955175 /nfs/dbraw/zinc/95/51/75/946955175.db2.gz VCNIAWMPDOQVAQ-CYBMUJFWSA-N -1 1 386.460 0.889 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC2(CC1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001573565782 947015701 /nfs/dbraw/zinc/01/57/01/947015701.db2.gz VXPLBEKEZNUSKD-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC2(CC1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001573565782 947015710 /nfs/dbraw/zinc/01/57/10/947015710.db2.gz VXPLBEKEZNUSKD-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM C=C1CC(C)(C(=O)N[C@@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@@H]2O)C1 ZINC001573296427 947044965 /nfs/dbraw/zinc/04/49/65/947044965.db2.gz PZULLBDASOWCCP-BDAKNGLRSA-N -1 1 395.876 0.999 20 30 GCEDMM C=C1CCC(C(=O)NC[C@H](O)CNc2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001573296366 947045866 /nfs/dbraw/zinc/04/58/66/947045866.db2.gz NYZJFSUJNZQEOT-CYBMUJFWSA-N -1 1 386.460 0.855 20 30 GCEDMM C=C1CCC(C(=O)NC[C@H](O)CNc2cc(-c3nn[n-]n3)nc(CC)n2)CC1 ZINC001573296366 947045874 /nfs/dbraw/zinc/04/58/74/947045874.db2.gz NYZJFSUJNZQEOT-CYBMUJFWSA-N -1 1 386.460 0.855 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001573569517 947071858 /nfs/dbraw/zinc/07/18/58/947071858.db2.gz AIDUCIFSYQEHCH-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001573569517 947071867 /nfs/dbraw/zinc/07/18/67/947071867.db2.gz AIDUCIFSYQEHCH-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573569553 947072187 /nfs/dbraw/zinc/07/21/87/947072187.db2.gz BAIANQXBQUHKFQ-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573569553 947072198 /nfs/dbraw/zinc/07/21/98/947072198.db2.gz BAIANQXBQUHKFQ-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N(CC)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573300659 947117015 /nfs/dbraw/zinc/11/70/15/947117015.db2.gz RONUKFNCFZIADU-CQSZACIVSA-N -1 1 387.448 0.388 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N(CC)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573300659 947117025 /nfs/dbraw/zinc/11/70/25/947117025.db2.gz RONUKFNCFZIADU-CQSZACIVSA-N -1 1 387.448 0.388 20 30 GCEDMM C=CC(C)(C)CCCNC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001573305610 947157944 /nfs/dbraw/zinc/15/79/44/947157944.db2.gz DXJBRPAVGHGQJZ-UHFFFAOYSA-N -1 1 388.432 0.688 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573577116 947161438 /nfs/dbraw/zinc/16/14/38/947161438.db2.gz MIHHWPSFIMTSFU-UHLUBPPHSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573577116 947161444 /nfs/dbraw/zinc/16/14/44/947161444.db2.gz MIHHWPSFIMTSFU-UHLUBPPHSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001573577136 947161926 /nfs/dbraw/zinc/16/19/26/947161926.db2.gz MPXKUWDIAVVNEZ-XSPKLOCKSA-N -1 1 378.849 0.935 20 30 GCEDMM C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573306144 947167627 /nfs/dbraw/zinc/16/76/27/947167627.db2.gz YERIVWSMODSXMJ-SFHVURJKSA-N -1 1 386.460 0.489 20 30 GCEDMM C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573306144 947167637 /nfs/dbraw/zinc/16/76/37/947167637.db2.gz YERIVWSMODSXMJ-SFHVURJKSA-N -1 1 386.460 0.489 20 30 GCEDMM C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001573307144 947179140 /nfs/dbraw/zinc/17/91/40/947179140.db2.gz PJVHIUBKOWGIEU-FZKQIMNGSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001573307144 947179149 /nfs/dbraw/zinc/17/91/49/947179149.db2.gz PJVHIUBKOWGIEU-FZKQIMNGSA-N -1 1 386.460 0.971 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573578163 947182936 /nfs/dbraw/zinc/18/29/36/947182936.db2.gz ZFQQEQPHHXSBAE-FUXBKTLASA-N -1 1 382.837 0.194 20 30 GCEDMM C=C[C@](C)(CC)C(=O)NC[C@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573307891 947184555 /nfs/dbraw/zinc/18/45/55/947184555.db2.gz WYMZMHZPPZXQSL-QZTJIDSGSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C[C@](C)(CC)C(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573307891 947184563 /nfs/dbraw/zinc/18/45/63/947184563.db2.gz WYMZMHZPPZXQSL-QZTJIDSGSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573307894 947184713 /nfs/dbraw/zinc/18/47/13/947184713.db2.gz WYMZMHZPPZXQSL-ZWKOTPCHSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573307894 947184719 /nfs/dbraw/zinc/18/47/19/947184719.db2.gz WYMZMHZPPZXQSL-ZWKOTPCHSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573309127 947190930 /nfs/dbraw/zinc/19/09/30/947190930.db2.gz CUGRQTPTWDVTNW-RMLUDKJBSA-N -1 1 383.865 0.999 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573309225 947194478 /nfs/dbraw/zinc/19/44/78/947194478.db2.gz FHHXMLLFYVOWNF-AEDCBLDQSA-N -1 1 386.460 0.799 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573309225 947194483 /nfs/dbraw/zinc/19/44/83/947194483.db2.gz FHHXMLLFYVOWNF-AEDCBLDQSA-N -1 1 386.460 0.799 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001573583308 947202326 /nfs/dbraw/zinc/20/23/26/947202326.db2.gz KVZIJPONPYKJOU-NXEZZACHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573583308 947202333 /nfs/dbraw/zinc/20/23/33/947202333.db2.gz KVZIJPONPYKJOU-NXEZZACHSA-N -1 1 377.359 0.394 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573309667 947204672 /nfs/dbraw/zinc/20/46/72/947204672.db2.gz MQPAFSHKDQKUMA-SCLBCKFNSA-N -1 1 386.460 0.943 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573309667 947204678 /nfs/dbraw/zinc/20/46/78/947204678.db2.gz MQPAFSHKDQKUMA-SCLBCKFNSA-N -1 1 386.460 0.943 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573309736 947207568 /nfs/dbraw/zinc/20/75/68/947207568.db2.gz NVLQVXAMQQLJHE-QZTJIDSGSA-N -1 1 384.444 0.413 20 30 GCEDMM C[C@@H](C#N)C(=O)NCC[C@H](Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573583687 947208631 /nfs/dbraw/zinc/20/86/31/947208631.db2.gz NYCVWDVRMTZSOW-DZGCQCFKSA-N -1 1 391.439 0.768 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001573584496 947224304 /nfs/dbraw/zinc/22/43/04/947224304.db2.gz WYMJWGGTWPPTTK-JGVFFNPUSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001573584496 947224314 /nfs/dbraw/zinc/22/43/14/947224314.db2.gz WYMJWGGTWPPTTK-JGVFFNPUSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001573584495 947225391 /nfs/dbraw/zinc/22/53/91/947225391.db2.gz WYMJWGGTWPPTTK-HTQZYQBOSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001573584495 947225398 /nfs/dbraw/zinc/22/53/98/947225398.db2.gz WYMJWGGTWPPTTK-HTQZYQBOSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573585194 947249784 /nfs/dbraw/zinc/24/97/84/947249784.db2.gz MFIOZOVWFXTUNQ-NSHDSACASA-N -1 1 375.396 0.953 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1cccc2c1CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573585301 947253139 /nfs/dbraw/zinc/25/31/39/947253139.db2.gz NOWXTSISRVRLNG-GFCCVEGCSA-N -1 1 389.423 0.995 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1cccc2c1CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573585301 947253146 /nfs/dbraw/zinc/25/31/46/947253146.db2.gz NOWXTSISRVRLNG-GFCCVEGCSA-N -1 1 389.423 0.995 20 30 GCEDMM CCc1ccccc1NC(=O)CNC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000825722900 947301657 /nfs/dbraw/zinc/30/16/57/947301657.db2.gz NLQVHMDHIRSHGL-UHFFFAOYSA-N -1 1 379.384 0.252 20 30 GCEDMM CCn1c2nnc(Cn3cnc(C#N)c3-c3nn[n-]n3)n2c2ccccc2c1=O ZINC000825782934 947329250 /nfs/dbraw/zinc/32/92/50/947329250.db2.gz WBJUBQYAIYRPEU-UHFFFAOYSA-N -1 1 387.367 0.361 20 30 GCEDMM C=CCCO[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573335910 947493286 /nfs/dbraw/zinc/49/32/86/947493286.db2.gz FWMXDWZHBCTZRK-SYQHCUMBSA-N -1 1 384.444 0.436 20 30 GCEDMM C=CCCO[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573335910 947493291 /nfs/dbraw/zinc/49/32/91/947493291.db2.gz FWMXDWZHBCTZRK-SYQHCUMBSA-N -1 1 384.444 0.436 20 30 GCEDMM C=CCCOCC(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573336147 947500060 /nfs/dbraw/zinc/50/00/60/947500060.db2.gz JLLHWAYWMGQJPV-UHFFFAOYSA-N -1 1 388.432 0.015 20 30 GCEDMM C=CCCOCC(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573336147 947500069 /nfs/dbraw/zinc/50/00/69/947500069.db2.gz JLLHWAYWMGQJPV-UHFFFAOYSA-N -1 1 388.432 0.015 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573337027 947514111 /nfs/dbraw/zinc/51/41/11/947514111.db2.gz SUHYIKFXDGOZEO-ZIAGYGMSSA-N -1 1 386.460 0.853 20 30 GCEDMM C=CCCOCC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573337072 947514320 /nfs/dbraw/zinc/51/43/20/947514320.db2.gz UAKHTYRRAFSXHH-UGSOOPFHSA-N -1 1 384.444 0.725 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573337388 947515783 /nfs/dbraw/zinc/51/57/83/947515783.db2.gz WUVDIOKSKQCFSM-UONOGXRCSA-N -1 1 386.460 0.923 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573337388 947515790 /nfs/dbraw/zinc/51/57/90/947515790.db2.gz WUVDIOKSKQCFSM-UONOGXRCSA-N -1 1 386.460 0.923 20 30 GCEDMM C=CCCn1cc(C(=O)N(C)[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001573342150 947539862 /nfs/dbraw/zinc/53/98/62/947539862.db2.gz UWKSQUDRSSVFIJ-LLVKDONJSA-N -1 1 383.420 0.397 20 30 GCEDMM C=CCCn1cc(C(=O)N(C)[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001573342150 947539869 /nfs/dbraw/zinc/53/98/69/947539869.db2.gz UWKSQUDRSSVFIJ-LLVKDONJSA-N -1 1 383.420 0.397 20 30 GCEDMM C=CCOCC(=O)NC[C@@]1(C)CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573342854 947547270 /nfs/dbraw/zinc/54/72/70/947547270.db2.gz FQPDZQRNKQSCAC-GOSISDBHSA-N -1 1 386.460 0.890 20 30 GCEDMM C=CCOCC(=O)NC[C@@]1(C)CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573342854 947547276 /nfs/dbraw/zinc/54/72/76/947547276.db2.gz FQPDZQRNKQSCAC-GOSISDBHSA-N -1 1 386.460 0.890 20 30 GCEDMM C=CCn1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)nn1 ZINC001573347090 947571658 /nfs/dbraw/zinc/57/16/58/947571658.db2.gz AFVBQQBCTOCLBJ-QWRGUYRKSA-N -1 1 381.404 0.149 20 30 GCEDMM C=CCn1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)nn1 ZINC001573347090 947571666 /nfs/dbraw/zinc/57/16/66/947571666.db2.gz AFVBQQBCTOCLBJ-QWRGUYRKSA-N -1 1 381.404 0.149 20 30 GCEDMM C=CCOCCCC(=O)NCC1=CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573348191 947580537 /nfs/dbraw/zinc/58/05/37/947580537.db2.gz NTPVFOSKUCKGCA-UHFFFAOYSA-N -1 1 384.444 0.892 20 30 GCEDMM C=CCOCCCC(=O)NCC1=CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573348191 947580547 /nfs/dbraw/zinc/58/05/47/947580547.db2.gz NTPVFOSKUCKGCA-UHFFFAOYSA-N -1 1 384.444 0.892 20 30 GCEDMM C=CCOCCCC(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573348989 947589333 /nfs/dbraw/zinc/58/93/33/947589333.db2.gz XSKLWFGWVMVAKK-KBPBESRZSA-N -1 1 386.460 0.710 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001573350231 947592894 /nfs/dbraw/zinc/59/28/94/947592894.db2.gz AAXXEUXNZUQVGL-MCIONIFRSA-N -1 1 384.444 0.723 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001573350231 947592901 /nfs/dbraw/zinc/59/29/01/947592901.db2.gz AAXXEUXNZUQVGL-MCIONIFRSA-N -1 1 384.444 0.723 20 30 GCEDMM C=CCn1cc(C(=O)N[C@@H](C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001573350281 947593685 /nfs/dbraw/zinc/59/36/85/947593685.db2.gz CFDZUCBFOJPKEB-MNOVXSKESA-N -1 1 383.420 0.443 20 30 GCEDMM C=CCn1cc(C(=O)N[C@@H](C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001573350281 947593695 /nfs/dbraw/zinc/59/36/95/947593695.db2.gz CFDZUCBFOJPKEB-MNOVXSKESA-N -1 1 383.420 0.443 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573350557 947599776 /nfs/dbraw/zinc/59/97/76/947599776.db2.gz GKUKDHJTHFMING-HIFRSBDPSA-N -1 1 384.444 0.959 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573350557 947599784 /nfs/dbraw/zinc/59/97/84/947599784.db2.gz GKUKDHJTHFMING-HIFRSBDPSA-N -1 1 384.444 0.959 20 30 GCEDMM C=CCn1cc(C(=O)NC[C@@H](C)N(CC)c2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001573350646 947602327 /nfs/dbraw/zinc/60/23/27/947602327.db2.gz HZZROYGKGWQZHU-LLVKDONJSA-N -1 1 383.420 0.079 20 30 GCEDMM C=CCn1cc(C(=O)NC[C@@H](C)N(CC)c2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001573350646 947602336 /nfs/dbraw/zinc/60/23/36/947602336.db2.gz HZZROYGKGWQZHU-LLVKDONJSA-N -1 1 383.420 0.079 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001573350795 947603255 /nfs/dbraw/zinc/60/32/55/947603255.db2.gz GTLVLDLSFKTJRK-CABZTGNLSA-N -1 1 380.386 0.644 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001573350795 947603259 /nfs/dbraw/zinc/60/32/59/947603259.db2.gz GTLVLDLSFKTJRK-CABZTGNLSA-N -1 1 380.386 0.644 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573351621 947616169 /nfs/dbraw/zinc/61/61/69/947616169.db2.gz UORTXDBJMAEMKM-WTANOLMUSA-N -1 1 398.471 0.971 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573351621 947616173 /nfs/dbraw/zinc/61/61/73/947616173.db2.gz UORTXDBJMAEMKM-WTANOLMUSA-N -1 1 398.471 0.971 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573352055 947625001 /nfs/dbraw/zinc/62/50/01/947625001.db2.gz YYMUWMLCQWWUOH-MCIONIFRSA-N -1 1 384.444 0.463 20 30 GCEDMM CC#CCCCC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573358773 947671194 /nfs/dbraw/zinc/67/11/94/947671194.db2.gz QHHCYPTZZNCBNM-CQSZACIVSA-N -1 1 384.444 0.798 20 30 GCEDMM CC#CCCCC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573358773 947671202 /nfs/dbraw/zinc/67/12/02/947671202.db2.gz QHHCYPTZZNCBNM-CQSZACIVSA-N -1 1 384.444 0.798 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1C#N ZINC000826344687 948010737 /nfs/dbraw/zinc/01/07/37/948010737.db2.gz OUTUKTMDLGDIQP-SNVBAGLBSA-N -1 1 394.399 0.105 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1C#N ZINC000826344687 948010746 /nfs/dbraw/zinc/01/07/46/948010746.db2.gz OUTUKTMDLGDIQP-SNVBAGLBSA-N -1 1 394.399 0.105 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000826383381 948182507 /nfs/dbraw/zinc/18/25/07/948182507.db2.gz YDEMUZSMENENGZ-UHFFFAOYSA-N -1 1 381.375 0.423 20 30 GCEDMM N#Cc1ncn(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1-c1nn[n-]n1 ZINC000826388190 948193807 /nfs/dbraw/zinc/19/38/07/948193807.db2.gz MHOOLLCHOPZQNS-UHFFFAOYSA-N -1 1 397.830 0.937 20 30 GCEDMM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575511543 949127550 /nfs/dbraw/zinc/12/75/50/949127550.db2.gz KBCVJCPWISSZPC-JTQLQIEISA-N -1 1 380.368 0.220 20 30 GCEDMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001575853281 949210729 /nfs/dbraw/zinc/21/07/29/949210729.db2.gz ONRNERGHWFZTJG-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001575853281 949210748 /nfs/dbraw/zinc/21/07/48/949210748.db2.gz ONRNERGHWFZTJG-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM C[C@@H]1CCCN(C(=O)CSCC#N)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171563 949770650 /nfs/dbraw/zinc/77/06/50/949770650.db2.gz RTKYOXYQLXJRDV-YPMHNXCESA-N -1 1 387.473 0.952 20 30 GCEDMM C[C@@H]1CCCN(C(=O)CSCC#N)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171563 949770661 /nfs/dbraw/zinc/77/06/61/949770661.db2.gz RTKYOXYQLXJRDV-YPMHNXCESA-N -1 1 387.473 0.952 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575890539 949951739 /nfs/dbraw/zinc/95/17/39/949951739.db2.gz XSVPMZFBJAFGFA-JQWIXIFHSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575890539 949951753 /nfs/dbraw/zinc/95/17/53/949951753.db2.gz XSVPMZFBJAFGFA-JQWIXIFHSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191776 950208128 /nfs/dbraw/zinc/20/81/28/950208128.db2.gz KEJPRNIXHMIEOB-AAEUAGOBSA-N -1 1 392.427 0.489 20 30 GCEDMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574158111 950271521 /nfs/dbraw/zinc/27/15/21/950271521.db2.gz OGLWBYUXKAAOBH-LBPRGKRZSA-N -1 1 380.416 0.535 20 30 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C#Cc1ccc(C(=O)N(C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)cn1 ZINC001573287760 946847692 /nfs/dbraw/zinc/84/76/92/946847692.db2.gz FHMGPWATLGGNDL-INIZCTEOSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)cn1 ZINC001573287760 946847705 /nfs/dbraw/zinc/84/77/05/946847705.db2.gz FHMGPWATLGGNDL-INIZCTEOSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573287881 946850469 /nfs/dbraw/zinc/85/04/69/946850469.db2.gz LTLRWJSMXBDKMP-WFASDCNBSA-N -1 1 389.423 0.466 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573288337 946863339 /nfs/dbraw/zinc/86/33/39/946863339.db2.gz UNCPQGLHNJJGLW-KBPBESRZSA-N -1 1 384.444 0.015 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573288288 946863902 /nfs/dbraw/zinc/86/39/02/946863902.db2.gz UDTDQCQPABZBKB-KBPBESRZSA-N -1 1 384.444 0.593 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573288288 946863915 /nfs/dbraw/zinc/86/39/15/946863915.db2.gz UDTDQCQPABZBKB-KBPBESRZSA-N -1 1 384.444 0.593 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)[C@@H]1C ZINC001573288801 946876859 /nfs/dbraw/zinc/87/68/59/946876859.db2.gz YOQIEWWPHADBNA-UPJWGTAASA-N -1 1 384.444 0.341 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)[C@@H]1C ZINC001573288801 946876866 /nfs/dbraw/zinc/87/68/66/946876866.db2.gz YOQIEWWPHADBNA-UPJWGTAASA-N -1 1 384.444 0.341 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573288768 946877027 /nfs/dbraw/zinc/87/70/27/946877027.db2.gz YJPSORASQBMJMV-ZDUSSCGKSA-N -1 1 384.444 0.844 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573288768 946877045 /nfs/dbraw/zinc/87/70/45/946877045.db2.gz YJPSORASQBMJMV-ZDUSSCGKSA-N -1 1 384.444 0.844 20 30 GCEDMM C#Cc1cncc(C(=O)N(CC)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001573290612 946908248 /nfs/dbraw/zinc/90/82/48/946908248.db2.gz MVHUUXQNQSMBSL-OAHLLOKOSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1cncc(C(=O)N(CC)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001573290612 946908257 /nfs/dbraw/zinc/90/82/57/946908257.db2.gz MVHUUXQNQSMBSL-OAHLLOKOSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573290835 946913088 /nfs/dbraw/zinc/91/30/88/946913088.db2.gz QRJQKVWVYVTOML-FQEVSTJZSA-N -1 1 388.435 0.966 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573290835 946913100 /nfs/dbraw/zinc/91/31/00/946913100.db2.gz QRJQKVWVYVTOML-FQEVSTJZSA-N -1 1 388.435 0.966 20 30 GCEDMM C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573291336 946918325 /nfs/dbraw/zinc/91/83/25/946918325.db2.gz ZNJAPKSWBXXPHL-RISCZKNCSA-N -1 1 375.396 0.028 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H](C)[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001573291292 946918355 /nfs/dbraw/zinc/91/83/55/946918355.db2.gz AUEURAMNKCWYFS-RYUDHWBXSA-N -1 1 377.412 0.960 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H](C)[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001573291292 946918367 /nfs/dbraw/zinc/91/83/67/946918367.db2.gz AUEURAMNKCWYFS-RYUDHWBXSA-N -1 1 377.412 0.960 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001573292378 946933681 /nfs/dbraw/zinc/93/36/81/946933681.db2.gz UYLBSQWTRFLMJC-UHFFFAOYSA-N -1 1 375.396 0.386 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001573292378 946933691 /nfs/dbraw/zinc/93/36/91/946933691.db2.gz UYLBSQWTRFLMJC-UHFFFAOYSA-N -1 1 375.396 0.386 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573292346 946934465 /nfs/dbraw/zinc/93/44/65/946934465.db2.gz UJIKQOPUDLBPDP-UKRRQHHQSA-N -1 1 389.423 0.466 20 30 GCEDMM C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573569614 947073273 /nfs/dbraw/zinc/07/32/73/947073273.db2.gz CJEMHDNXJDETAM-NQMVMOMDSA-N -1 1 381.322 0.618 20 30 GCEDMM C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573569614 947073281 /nfs/dbraw/zinc/07/32/81/947073281.db2.gz CJEMHDNXJDETAM-NQMVMOMDSA-N -1 1 381.322 0.618 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573569902 947078879 /nfs/dbraw/zinc/07/88/79/947078879.db2.gz HDGXEZMHDKLLSP-SFYZADRCSA-N -1 1 382.837 0.776 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573569902 947078889 /nfs/dbraw/zinc/07/88/89/947078889.db2.gz HDGXEZMHDKLLSP-SFYZADRCSA-N -1 1 382.837 0.776 20 30 GCEDMM C=C[C@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573298874 947086828 /nfs/dbraw/zinc/08/68/28/947086828.db2.gz AAUSSEBABJBVID-KBPBESRZSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C[C@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573298874 947086840 /nfs/dbraw/zinc/08/68/40/947086840.db2.gz AAUSSEBABJBVID-KBPBESRZSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573299767 947101994 /nfs/dbraw/zinc/10/19/94/947101994.db2.gz LPZFICOMUVLUJU-DGCLKSJQSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573299767 947101999 /nfs/dbraw/zinc/10/19/99/947101999.db2.gz LPZFICOMUVLUJU-DGCLKSJQSA-N -1 1 387.448 0.434 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573575677 947141507 /nfs/dbraw/zinc/14/15/07/947141507.db2.gz AIZZARJPBWRGHX-FUXBKTLASA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573575677 947141517 /nfs/dbraw/zinc/14/15/17/947141517.db2.gz AIZZARJPBWRGHX-FUXBKTLASA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001573576999 947158061 /nfs/dbraw/zinc/15/80/61/947158061.db2.gz KTMWGRJODOPEAG-BGZDPUMWSA-N -1 1 378.849 0.935 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001573576999 947158069 /nfs/dbraw/zinc/15/80/69/947158069.db2.gz KTMWGRJODOPEAG-BGZDPUMWSA-N -1 1 378.849 0.935 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001573577134 947161876 /nfs/dbraw/zinc/16/18/76/947161876.db2.gz MPXKUWDIAVVNEZ-BGZDPUMWSA-N -1 1 378.849 0.935 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)O1 ZINC001573577276 947166106 /nfs/dbraw/zinc/16/61/06/947166106.db2.gz OJIDVRQUOXHUFU-RYUDHWBXSA-N -1 1 387.469 0.937 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573309122 947191110 /nfs/dbraw/zinc/19/11/10/947191110.db2.gz COZOAKMSEDHAMB-GOSISDBHSA-N -1 1 388.476 0.831 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573309122 947191115 /nfs/dbraw/zinc/19/11/15/947191115.db2.gz COZOAKMSEDHAMB-GOSISDBHSA-N -1 1 388.476 0.831 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573309087 947191885 /nfs/dbraw/zinc/19/18/85/947191885.db2.gz CLCQXTCRLMNGEJ-KZULUSFZSA-N -1 1 386.460 0.583 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573309087 947191890 /nfs/dbraw/zinc/19/18/90/947191890.db2.gz CLCQXTCRLMNGEJ-KZULUSFZSA-N -1 1 386.460 0.583 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001573309354 947198946 /nfs/dbraw/zinc/19/89/46/947198946.db2.gz HJHCGYALNMIVOS-RZAIGCCYSA-N -1 1 384.444 0.459 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001573309354 947198952 /nfs/dbraw/zinc/19/89/52/947198952.db2.gz HJHCGYALNMIVOS-RZAIGCCYSA-N -1 1 384.444 0.459 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573309541 947202360 /nfs/dbraw/zinc/20/23/60/947202360.db2.gz KJOMASDVXZTQTR-SNUQEOBHSA-N -1 1 386.460 0.562 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573309541 947202368 /nfs/dbraw/zinc/20/23/68/947202368.db2.gz KJOMASDVXZTQTR-SNUQEOBHSA-N -1 1 386.460 0.562 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573309735 947209023 /nfs/dbraw/zinc/20/90/23/947209023.db2.gz NVLQVXAMQQLJHE-MSOLQXFVSA-N -1 1 384.444 0.413 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573309684 947209136 /nfs/dbraw/zinc/20/91/36/947209136.db2.gz MUXCFVRFFJPZMU-VBHSOAQHSA-N -1 1 384.444 0.269 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573309684 947209142 /nfs/dbraw/zinc/20/91/42/947209142.db2.gz MUXCFVRFFJPZMU-VBHSOAQHSA-N -1 1 384.444 0.269 20 30 GCEDMM CCOC(=O)c1c(C)oc2nc(Cn3cnc(C#N)c3-c3nn[n-]n3)nc(N)c21 ZINC000825553733 947219276 /nfs/dbraw/zinc/21/92/76/947219276.db2.gz VRQMSINLOYIFTQ-UHFFFAOYSA-N -1 1 394.355 0.587 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001573584498 947223523 /nfs/dbraw/zinc/22/35/23/947223523.db2.gz WYMJWGGTWPPTTK-YUMQZZPRSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001573584498 947223530 /nfs/dbraw/zinc/22/35/30/947223530.db2.gz WYMJWGGTWPPTTK-YUMQZZPRSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573584561 947227926 /nfs/dbraw/zinc/22/79/26/947227926.db2.gz YDCYJXRDHFGLPL-SWLSCSKDSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573584561 947227938 /nfs/dbraw/zinc/22/79/38/947227938.db2.gz YDCYJXRDHFGLPL-SWLSCSKDSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@H](C#N)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1c1ccccc1 ZINC001573585786 947268220 /nfs/dbraw/zinc/26/82/20/947268220.db2.gz WJFRICSONVCJTJ-VHDGCEQUSA-N -1 1 389.423 0.905 20 30 GCEDMM C[C@H](C#N)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1c1ccccc1 ZINC001573585786 947268231 /nfs/dbraw/zinc/26/82/31/947268231.db2.gz WJFRICSONVCJTJ-VHDGCEQUSA-N -1 1 389.423 0.905 20 30 GCEDMM C=CCC(C)(C)C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001573318461 947309409 /nfs/dbraw/zinc/30/94/09/947309409.db2.gz CIIGHBFDDXDNKN-CYBMUJFWSA-N -1 1 386.460 0.889 20 30 GCEDMM C=CCC(C)(C)C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001573318461 947309424 /nfs/dbraw/zinc/30/94/24/947309424.db2.gz CIIGHBFDDXDNKN-CYBMUJFWSA-N -1 1 386.460 0.889 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)COc1cccc(C#N)c1 ZINC000825930004 947376110 /nfs/dbraw/zinc/37/61/10/947376110.db2.gz NYZSBXCDSJTSOE-UHFFFAOYSA-N -1 1 381.400 0.514 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)COc1cccc(C#N)c1 ZINC000825930004 947376125 /nfs/dbraw/zinc/37/61/25/947376125.db2.gz NYZSBXCDSJTSOE-UHFFFAOYSA-N -1 1 381.400 0.514 20 30 GCEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573329747 947425695 /nfs/dbraw/zinc/42/56/95/947425695.db2.gz OHXOZSXPRDJXHK-YPMHNXCESA-N -1 1 388.432 0.563 20 30 GCEDMM C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573336263 947504135 /nfs/dbraw/zinc/50/41/35/947504135.db2.gz LVZQXGJBPKBJJX-MGPQQGTHSA-N -1 1 386.460 0.826 20 30 GCEDMM C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573336263 947504143 /nfs/dbraw/zinc/50/41/43/947504143.db2.gz LVZQXGJBPKBJJX-MGPQQGTHSA-N -1 1 386.460 0.826 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573337305 947516727 /nfs/dbraw/zinc/51/67/27/947516727.db2.gz VJAJGHXYHFIMQR-MCIONIFRSA-N -1 1 384.444 0.533 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573337305 947516739 /nfs/dbraw/zinc/51/67/39/947516739.db2.gz VJAJGHXYHFIMQR-MCIONIFRSA-N -1 1 384.444 0.533 20 30 GCEDMM C=CCCn1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001573342395 947542327 /nfs/dbraw/zinc/54/23/27/947542327.db2.gz XMPRKJYURYKKQU-PHIMTYICSA-N -1 1 381.404 0.197 20 30 GCEDMM C=CCCn1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001573342395 947542338 /nfs/dbraw/zinc/54/23/38/947542338.db2.gz XMPRKJYURYKKQU-PHIMTYICSA-N -1 1 381.404 0.197 20 30 GCEDMM C=CCOCC(=O)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C1 ZINC001573342754 947545009 /nfs/dbraw/zinc/54/50/09/947545009.db2.gz BZUBSJAGKOPLRX-MELADBBJSA-N -1 1 384.444 0.898 20 30 GCEDMM C=CCOCC(=O)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C1 ZINC001573342754 947545019 /nfs/dbraw/zinc/54/50/19/947545019.db2.gz BZUBSJAGKOPLRX-MELADBBJSA-N -1 1 384.444 0.898 20 30 GCEDMM C=CCn1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)nn1 ZINC001573347092 947572614 /nfs/dbraw/zinc/57/26/14/947572614.db2.gz AFVBQQBCTOCLBJ-WDEREUQCSA-N -1 1 381.404 0.149 20 30 GCEDMM C=CCn1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)nn1 ZINC001573347092 947572624 /nfs/dbraw/zinc/57/26/24/947572624.db2.gz AFVBQQBCTOCLBJ-WDEREUQCSA-N -1 1 381.404 0.149 20 30 GCEDMM C=CCn1cc(C(=O)N(C)CCCNc2snc(C)c2-c2nn[n-]n2)nn1 ZINC001573348135 947579560 /nfs/dbraw/zinc/57/95/60/947579560.db2.gz MTLNIODZOXQHJE-UHFFFAOYSA-N -1 1 388.461 0.983 20 30 GCEDMM C=CCOCCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573348203 947581721 /nfs/dbraw/zinc/58/17/21/947581721.db2.gz NWAKKGZKNIXWPQ-CQSZACIVSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCOCCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573348203 947581730 /nfs/dbraw/zinc/58/17/30/947581730.db2.gz NWAKKGZKNIXWPQ-CQSZACIVSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001573349009 947589884 /nfs/dbraw/zinc/58/98/84/947589884.db2.gz YASANLYKDXQJLS-MNOVXSKESA-N -1 1 381.404 0.007 20 30 GCEDMM C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001573349009 947589889 /nfs/dbraw/zinc/58/98/89/947589889.db2.gz YASANLYKDXQJLS-MNOVXSKESA-N -1 1 381.404 0.007 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573350643 947599290 /nfs/dbraw/zinc/59/92/90/947599290.db2.gz HXOFBBWTQVFVDR-NFAWXSAZSA-N -1 1 384.444 0.959 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573350643 947599295 /nfs/dbraw/zinc/59/92/95/947599295.db2.gz HXOFBBWTQVFVDR-NFAWXSAZSA-N -1 1 384.444 0.959 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573350851 947604377 /nfs/dbraw/zinc/60/43/77/947604377.db2.gz JKDDZYFRPOAXMZ-FRRDWIJNSA-N -1 1 384.444 0.897 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573350851 947604382 /nfs/dbraw/zinc/60/43/82/947604382.db2.gz JKDDZYFRPOAXMZ-FRRDWIJNSA-N -1 1 384.444 0.897 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001573351879 947620966 /nfs/dbraw/zinc/62/09/66/947620966.db2.gz WVMOTWCYWOAPDZ-BFDPJXHCSA-N -1 1 396.455 0.533 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573351879 947620972 /nfs/dbraw/zinc/62/09/72/947620972.db2.gz WVMOTWCYWOAPDZ-BFDPJXHCSA-N -1 1 396.455 0.533 20 30 GCEDMM CC#CCCCC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573358625 947665557 /nfs/dbraw/zinc/66/55/57/947665557.db2.gz GFRPWHDJTZNDRR-SFHVURJKSA-N -1 1 384.444 0.038 20 30 GCEDMM Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC000826290168 947845541 /nfs/dbraw/zinc/84/55/41/947845541.db2.gz DCVWCNDCSKWVFS-UHFFFAOYSA-N -1 1 379.384 0.340 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1-c1nnn[n-]1 ZINC000826344304 948004718 /nfs/dbraw/zinc/00/47/18/948004718.db2.gz CXXYVANOFMIZCM-UHFFFAOYSA-N -1 1 392.423 0.922 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1-c1nn[n-]n1 ZINC000826344304 948004728 /nfs/dbraw/zinc/00/47/28/948004728.db2.gz CXXYVANOFMIZCM-UHFFFAOYSA-N -1 1 392.423 0.922 20 30 GCEDMM C[C@]1(C#N)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC001575525928 949358155 /nfs/dbraw/zinc/35/81/55/949358155.db2.gz SZGOKRUEDBASIA-ZDUSSCGKSA-N -1 1 379.358 0.078 20 30 GCEDMM C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169082 949662366 /nfs/dbraw/zinc/66/23/66/949662366.db2.gz DYFFNLUKNWOUPI-RISCZKNCSA-N -1 1 392.427 0.631 20 30 GCEDMM C[C@@H]1CCCN(C(=O)CSCC#N)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171559 949772403 /nfs/dbraw/zinc/77/24/03/949772403.db2.gz RTKYOXYQLXJRDV-DGCLKSJQSA-N -1 1 387.473 0.952 20 30 GCEDMM C[C@@H]1CCCN(C(=O)CSCC#N)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171559 949772414 /nfs/dbraw/zinc/77/24/14/949772414.db2.gz RTKYOXYQLXJRDV-DGCLKSJQSA-N -1 1 387.473 0.952 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575887695 949902861 /nfs/dbraw/zinc/90/28/61/949902861.db2.gz OLGCLNFGJAREFE-ZWNOBZJWSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575887695 949902880 /nfs/dbraw/zinc/90/28/80/949902880.db2.gz OLGCLNFGJAREFE-ZWNOBZJWSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575890554 949958252 /nfs/dbraw/zinc/95/82/52/949958252.db2.gz YACRWRTZTZNRMV-GWCFXTLKSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575890554 949958268 /nfs/dbraw/zinc/95/82/68/949958268.db2.gz YACRWRTZTZNRMV-GWCFXTLKSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575892088 950048889 /nfs/dbraw/zinc/04/88/89/950048889.db2.gz RHHSQRDIHDNLLF-ZYHUDNBSSA-N -1 1 378.400 0.644 20 30 GCEDMM CC(C)(C)OC(=O)CN1CCC(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001573851164 950287628 /nfs/dbraw/zinc/28/76/28/950287628.db2.gz SYKRPRHORMPRHE-UHFFFAOYSA-N -1 1 385.432 0.746 20 30 GCEDMM CC(C)(C)OC(=O)CN1CCC(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001573851164 950287646 /nfs/dbraw/zinc/28/76/46/950287646.db2.gz SYKRPRHORMPRHE-UHFFFAOYSA-N -1 1 385.432 0.746 20 30 GCEDMM CC(C)(C)OC(=O)N1CC(CCO)(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573852871 950310196 /nfs/dbraw/zinc/31/01/96/950310196.db2.gz KGVAOKPLHDKJFG-UHFFFAOYSA-N -1 1 387.404 0.312 20 30 GCEDMM CC(C)(C)OC(=O)N1CC=C(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC1 ZINC001573853491 950322287 /nfs/dbraw/zinc/32/22/87/950322287.db2.gz QHGVQBWUHFKKQI-UHFFFAOYSA-N -1 1 385.388 0.967 20 30 GCEDMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575127793 952062689 /nfs/dbraw/zinc/06/26/89/952062689.db2.gz CREAORBKJDVGAI-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575127793 952062696 /nfs/dbraw/zinc/06/26/96/952062696.db2.gz CREAORBKJDVGAI-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575142757 952148239 /nfs/dbraw/zinc/14/82/39/952148239.db2.gz LJAROFPYIWBBFM-QGZVFWFLSA-N -1 1 378.400 0.289 20 30 GCEDMM N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001571120113 952499512 /nfs/dbraw/zinc/49/95/12/952499512.db2.gz HYEZSYSPFVWYJX-TXEJJXNPSA-N -1 1 376.384 0.350 20 30 GCEDMM N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001571120113 952499517 /nfs/dbraw/zinc/49/95/17/952499517.db2.gz HYEZSYSPFVWYJX-TXEJJXNPSA-N -1 1 376.384 0.350 20 30 GCEDMM Cc1nn(C)c(Br)c1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001571121940 952523256 /nfs/dbraw/zinc/52/32/56/952523256.db2.gz FSNLECZURPAACA-UHFFFAOYSA-N -1 1 377.166 0.518 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)[nH]1 ZINC001571135792 952608771 /nfs/dbraw/zinc/60/87/71/952608771.db2.gz DQSPVZAHPTTYRQ-LBPRGKRZSA-N -1 1 378.400 0.963 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)[nH]1 ZINC001571135792 952608774 /nfs/dbraw/zinc/60/87/74/952608774.db2.gz DQSPVZAHPTTYRQ-LBPRGKRZSA-N -1 1 378.400 0.963 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571135949 952610922 /nfs/dbraw/zinc/61/09/22/952610922.db2.gz IZOFHKLSZNOIGI-GXFFZTMASA-N -1 1 378.400 0.880 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571135949 952610927 /nfs/dbraw/zinc/61/09/27/952610927.db2.gz IZOFHKLSZNOIGI-GXFFZTMASA-N -1 1 378.400 0.880 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001571136426 952613739 /nfs/dbraw/zinc/61/37/39/952613739.db2.gz QBVXDEFPSHLRAT-QWRGUYRKSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001571136426 952613743 /nfs/dbraw/zinc/61/37/43/952613743.db2.gz QBVXDEFPSHLRAT-QWRGUYRKSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001571136425 952614313 /nfs/dbraw/zinc/61/43/13/952614313.db2.gz QBVXDEFPSHLRAT-MNOVXSKESA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001571136425 952614315 /nfs/dbraw/zinc/61/43/15/952614315.db2.gz QBVXDEFPSHLRAT-MNOVXSKESA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571136958 952616903 /nfs/dbraw/zinc/61/69/03/952616903.db2.gz YDZWKCBPMXZUKE-ZYHUDNBSSA-N -1 1 378.400 0.962 20 30 GCEDMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571136958 952616906 /nfs/dbraw/zinc/61/69/06/952616906.db2.gz YDZWKCBPMXZUKE-ZYHUDNBSSA-N -1 1 378.400 0.962 20 30 GCEDMM N#C[C@@]12CN(c3c4ccccc4nnc3-c3nn[n-]n3)C[C@H]1CS(=O)(=O)C2 ZINC001571200311 953009088 /nfs/dbraw/zinc/00/90/88/953009088.db2.gz HLVBCPCLOWXYBU-QFYYESIMSA-N -1 1 382.409 0.184 20 30 GCEDMM COC(=O)C1CC2(C1)CN(CC(=O)NCc1cccc(C#N)c1)C[C@@H]2C(=O)[O-] ZINC001593823896 955069628 /nfs/dbraw/zinc/06/96/28/955069628.db2.gz GWLPQBTVKHVSMB-LFDOHDQPSA-N -1 1 385.420 0.760 20 30 GCEDMM N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC001594619672 956271451 /nfs/dbraw/zinc/27/14/51/956271451.db2.gz MGECVTULUMZUQQ-UHFFFAOYSA-N -1 1 379.438 0.138 20 30 GCEDMM 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/nfs/dbraw/zinc/89/37/33/1205893733.db2.gz UQIREZFLMBVDMX-VIFPVBQESA-N -1 1 384.393 0.515 20 30 GCEDMM COC(=O)[C@H](CS)NC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184361600 1205908271 /nfs/dbraw/zinc/90/82/71/1205908271.db2.gz JPVSJZGMJWLJSQ-ZDUSSCGKSA-N -1 1 394.449 0.826 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)N([O-])C(=N)c2nonc2N)C1 ZINC001186483079 1205940120 /nfs/dbraw/zinc/94/01/20/1205940120.db2.gz CBUSAMNOGUKEAS-ATZCPNFKSA-N -1 1 396.404 0.467 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N([O-])C(=N)c2nonc2N)C1 ZINC001186483084 1205940131 /nfs/dbraw/zinc/94/01/31/1205940131.db2.gz CBUSAMNOGUKEAS-NGZCFLSTSA-N -1 1 396.404 0.467 20 30 GCEDMM CCNS(=O)(=O)c1cccc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001571257985 945344142 /nfs/dbraw/zinc/34/41/42/945344142.db2.gz KTWWQJWJKHJWJQ-UHFFFAOYSA-N -1 1 385.413 0.439 20 30 GCEDMM C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571296025 946181484 /nfs/dbraw/zinc/18/14/84/946181484.db2.gz MEWKTRCGGUYQFI-XIKOKIGWSA-N -1 1 390.411 0.455 20 30 GCEDMM C[C@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571296025 946181492 /nfs/dbraw/zinc/18/14/92/946181492.db2.gz MEWKTRCGGUYQFI-XIKOKIGWSA-N -1 1 390.411 0.455 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)n1 ZINC001571295987 946181772 /nfs/dbraw/zinc/18/17/72/946181772.db2.gz LOCOTVSLINQZKB-TXEJJXNPSA-N -1 1 390.411 0.373 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)n1 ZINC001571295987 946181777 /nfs/dbraw/zinc/18/17/77/946181777.db2.gz LOCOTVSLINQZKB-TXEJJXNPSA-N -1 1 390.411 0.373 20 30 GCEDMM N#Cc1cc(C(=O)N[C@@]23CCC[C@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)c[nH]1 ZINC001571296279 946189375 /nfs/dbraw/zinc/18/93/75/946189375.db2.gz SPYFQJCGBSHVIE-RDTXWAMCSA-N -1 1 390.411 0.788 20 30 GCEDMM N#Cc1cc(C(=O)N[C@@]23CCC[C@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)c[nH]1 ZINC001571296279 946189383 /nfs/dbraw/zinc/18/93/83/946189383.db2.gz SPYFQJCGBSHVIE-RDTXWAMCSA-N -1 1 390.411 0.788 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)n1 ZINC001571312815 946502703 /nfs/dbraw/zinc/50/27/03/946502703.db2.gz KVHRBQGNAORONO-AAEUAGOBSA-N -1 1 392.427 0.952 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)n1 ZINC001571312815 946502710 /nfs/dbraw/zinc/50/27/10/946502710.db2.gz KVHRBQGNAORONO-AAEUAGOBSA-N -1 1 392.427 0.952 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1 ZINC001571313652 946527758 /nfs/dbraw/zinc/52/77/58/946527758.db2.gz VIAGMTKUGFDCPL-NEPJUHHUSA-N -1 1 392.427 0.952 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1 ZINC001571313652 946527766 /nfs/dbraw/zinc/52/77/66/946527766.db2.gz VIAGMTKUGFDCPL-NEPJUHHUSA-N -1 1 392.427 0.952 20 30 GCEDMM C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001573281847 946681964 /nfs/dbraw/zinc/68/19/64/946681964.db2.gz CFZGJRHWPMUVQU-GOSISDBHSA-N -1 1 398.427 0.821 20 30 GCEDMM C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001573281847 946681971 /nfs/dbraw/zinc/68/19/71/946681971.db2.gz CFZGJRHWPMUVQU-GOSISDBHSA-N -1 1 398.427 0.821 20 30 GCEDMM C#CCN(C(=O)c1ccccn1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573282197 946686240 /nfs/dbraw/zinc/68/62/40/946686240.db2.gz GNAFSSWPFNOMKV-UHFFFAOYSA-N -1 1 389.423 0.796 20 30 GCEDMM C#CCCCCCC(=O)N[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@H]1O ZINC001573282994 946705729 /nfs/dbraw/zinc/70/57/29/946705729.db2.gz PSUKXHOANNDGQU-HUUCEWRRSA-N -1 1 398.471 0.469 20 30 GCEDMM C#CCCCCCC(=O)N[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@H]1O ZINC001573282994 946705737 /nfs/dbraw/zinc/70/57/37/946705737.db2.gz PSUKXHOANNDGQU-HUUCEWRRSA-N -1 1 398.471 0.469 20 30 GCEDMM C#CCCCC(=O)N(C)C[C@H](O)CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573284578 946749799 /nfs/dbraw/zinc/74/97/99/946749799.db2.gz GNAUDSLDCMTVIW-LBPRGKRZSA-N -1 1 377.474 0.691 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N(CCC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573285376 946774908 /nfs/dbraw/zinc/77/49/08/946774908.db2.gz GXXWFHOKKJSLPM-UONOGXRCSA-N -1 1 384.444 0.512 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N(CCC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573285376 946774920 /nfs/dbraw/zinc/77/49/20/946774920.db2.gz GXXWFHOKKJSLPM-UONOGXRCSA-N -1 1 384.444 0.512 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573286382 946806875 /nfs/dbraw/zinc/80/68/75/946806875.db2.gz AEWPXWGIEJIDOI-OLZOCXBDSA-N -1 1 382.428 0.170 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573286382 946806893 /nfs/dbraw/zinc/80/68/93/946806893.db2.gz AEWPXWGIEJIDOI-OLZOCXBDSA-N -1 1 382.428 0.170 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573286651 946814723 /nfs/dbraw/zinc/81/47/23/946814723.db2.gz GYPPGBBFXBZREN-FUDCBSFHSA-N -1 1 382.428 0.311 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573286651 946814736 /nfs/dbraw/zinc/81/47/36/946814736.db2.gz GYPPGBBFXBZREN-FUDCBSFHSA-N -1 1 382.428 0.311 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)cc1 ZINC001573286796 946820552 /nfs/dbraw/zinc/82/05/52/946820552.db2.gz BFGWXQCZEXNKQP-OAHLLOKOSA-N -1 1 390.407 0.273 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H](O)CNc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001573287107 946830826 /nfs/dbraw/zinc/83/08/26/946830826.db2.gz FDRACDHEVAOXAB-ZDUSSCGKSA-N -1 1 383.437 0.816 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573287859 946850099 /nfs/dbraw/zinc/85/00/99/946850099.db2.gz LQIIUPMAOHYLEE-GFCCVEGCSA-N -1 1 375.396 0.289 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573287859 946850107 /nfs/dbraw/zinc/85/01/07/946850107.db2.gz LQIIUPMAOHYLEE-GFCCVEGCSA-N -1 1 375.396 0.289 20 30 GCEDMM C#Cc1ccc(C(=O)NCCCN(CC)c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001573288179 946859495 /nfs/dbraw/zinc/85/94/95/946859495.db2.gz PQWRTUPNODJZNP-UHFFFAOYSA-N -1 1 377.412 0.679 20 30 GCEDMM C#Cc1ccc(C(=O)NCCCN(CC)c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001573288179 946859505 /nfs/dbraw/zinc/85/95/05/946859505.db2.gz PQWRTUPNODJZNP-UHFFFAOYSA-N -1 1 377.412 0.679 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573288303 946865026 /nfs/dbraw/zinc/86/50/26/946865026.db2.gz UFRGSJKUWAWJHP-ZFWWWQNUSA-N -1 1 382.428 0.124 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573288303 946865037 /nfs/dbraw/zinc/86/50/37/946865037.db2.gz UFRGSJKUWAWJHP-ZFWWWQNUSA-N -1 1 382.428 0.124 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573288339 946865095 /nfs/dbraw/zinc/86/50/95/946865095.db2.gz UNCPQGLHNJJGLW-UONOGXRCSA-N -1 1 384.444 0.015 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001573288534 946869298 /nfs/dbraw/zinc/86/92/98/946869298.db2.gz RLQCIUGDUYDNOC-OAHLLOKOSA-N -1 1 389.423 0.740 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573288534 946869308 /nfs/dbraw/zinc/86/93/08/946869308.db2.gz RLQCIUGDUYDNOC-OAHLLOKOSA-N -1 1 389.423 0.740 20 30 GCEDMM C#Cc1ccccc1CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573289838 946895356 /nfs/dbraw/zinc/89/53/56/946895356.db2.gz DUDREEIUSKJJJN-MRXNPFEDSA-N -1 1 388.435 0.918 20 30 GCEDMM C#Cc1ccccc1CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573289838 946895368 /nfs/dbraw/zinc/89/53/68/946895368.db2.gz DUDREEIUSKJJJN-MRXNPFEDSA-N -1 1 388.435 0.918 20 30 GCEDMM C#CCOc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573290312 946903194 /nfs/dbraw/zinc/90/31/94/946903194.db2.gz WGTZQYLATZOUKD-AWEZNQCLSA-N -1 1 390.407 0.417 20 30 GCEDMM C#CCOCCC(=O)NCC1=CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573290299 946903289 /nfs/dbraw/zinc/90/32/89/946903289.db2.gz VMVHOGLLWPMRJC-UHFFFAOYSA-N -1 1 387.469 0.924 20 30 GCEDMM C#Cc1ccccc1CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001573290774 946909765 /nfs/dbraw/zinc/90/97/65/946909765.db2.gz PCXOBMPLKOFJKH-UHFFFAOYSA-N -1 1 388.435 0.753 20 30 GCEDMM C#Cc1ccccc1CC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573291218 946914596 /nfs/dbraw/zinc/91/45/96/946914596.db2.gz YSFZPANAVCYRFX-UHFFFAOYSA-N -1 1 376.424 0.775 20 30 GCEDMM C#Cc1ccccc1CC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573291218 946914598 /nfs/dbraw/zinc/91/45/98/946914598.db2.gz YSFZPANAVCYRFX-UHFFFAOYSA-N -1 1 376.424 0.775 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001573291680 946922517 /nfs/dbraw/zinc/92/25/17/946922517.db2.gz HYRLUBGTGJHHTG-TZMCWYRMSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001573291680 946922524 /nfs/dbraw/zinc/92/25/24/946922524.db2.gz HYRLUBGTGJHHTG-TZMCWYRMSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H](C)Nc2cc(-c3nnn[n-]3)nc(CC)n2)c1 ZINC001573291867 946923309 /nfs/dbraw/zinc/92/33/09/946923309.db2.gz LAJQTUHDBCUNHE-NSHDSACASA-N -1 1 377.412 0.826 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H](C)Nc2cc(-c3nn[n-]n3)nc(CC)n2)c1 ZINC001573291867 946923319 /nfs/dbraw/zinc/92/33/19/946923319.db2.gz LAJQTUHDBCUNHE-NSHDSACASA-N -1 1 377.412 0.826 20 30 GCEDMM C=C(C)[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)OCC ZINC001573292840 946941049 /nfs/dbraw/zinc/94/10/49/946941049.db2.gz DUHJQLSKYBXPJX-AWEZNQCLSA-N -1 1 386.460 0.853 20 30 GCEDMM C=C(C)C(C)(C)C(=O)NC[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001573293388 946956421 /nfs/dbraw/zinc/95/64/21/946956421.db2.gz VCNIAWMPDOQVAQ-ZDUSSCGKSA-N -1 1 386.460 0.889 20 30 GCEDMM C=C(C)C(C)(C)C(=O)NC[C@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001573293388 946956432 /nfs/dbraw/zinc/95/64/32/946956432.db2.gz VCNIAWMPDOQVAQ-ZDUSSCGKSA-N -1 1 386.460 0.889 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573294281 946983109 /nfs/dbraw/zinc/98/31/09/946983109.db2.gz AGISJKXMNGREIZ-XEZPLFJOSA-N -1 1 384.444 0.945 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573294281 946983120 /nfs/dbraw/zinc/98/31/20/946983120.db2.gz AGISJKXMNGREIZ-XEZPLFJOSA-N -1 1 384.444 0.945 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001573564409 946991993 /nfs/dbraw/zinc/99/19/93/946991993.db2.gz IFFDHCHSPOGKRH-GXTWGEPZSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573564409 946991999 /nfs/dbraw/zinc/99/19/99/946991999.db2.gz IFFDHCHSPOGKRH-GXTWGEPZSA-N -1 1 381.444 0.881 20 30 GCEDMM C=C1CCC(C(=O)N(CCO)CCNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573295726 947025088 /nfs/dbraw/zinc/02/50/88/947025088.db2.gz HVDDDQFLCFWXKK-UHFFFAOYSA-N -1 1 386.460 0.944 20 30 GCEDMM C=C1CCC(C(=O)N(CCO)CCNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573295726 947025099 /nfs/dbraw/zinc/02/50/99/947025099.db2.gz HVDDDQFLCFWXKK-UHFFFAOYSA-N -1 1 386.460 0.944 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573296124 947041505 /nfs/dbraw/zinc/04/15/05/947041505.db2.gz YROZBOLOIUQQEQ-QCQGSNGOSA-N -1 1 384.444 0.945 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573296124 947041513 /nfs/dbraw/zinc/04/15/13/947041513.db2.gz YROZBOLOIUQQEQ-QCQGSNGOSA-N -1 1 384.444 0.945 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573298087 947068931 /nfs/dbraw/zinc/06/89/31/947068931.db2.gz AHTLOTGZOSSKJA-SMDDNHRTSA-N -1 1 387.448 0.386 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573298087 947068939 /nfs/dbraw/zinc/06/89/39/947068939.db2.gz AHTLOTGZOSSKJA-SMDDNHRTSA-N -1 1 387.448 0.386 20 30 GCEDMM C=C1CC(C)(C(=O)N2CCO[C@H]([C@@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573298347 947074383 /nfs/dbraw/zinc/07/43/83/947074383.db2.gz OSPUVGXRJMYBIR-OLZOCXBDSA-N -1 1 384.444 0.463 20 30 GCEDMM C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573569688 947075953 /nfs/dbraw/zinc/07/59/53/947075953.db2.gz DTCUXUWVINSWCA-QXFUBDJGSA-N -1 1 381.322 0.618 20 30 GCEDMM C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573569688 947075965 /nfs/dbraw/zinc/07/59/65/947075965.db2.gz DTCUXUWVINSWCA-QXFUBDJGSA-N -1 1 381.322 0.618 20 30 GCEDMM C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573570641 947091901 /nfs/dbraw/zinc/09/19/01/947091901.db2.gz ROHKDAAGPFMWGM-NQMVMOMDSA-N -1 1 381.322 0.618 20 30 GCEDMM C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573570641 947091911 /nfs/dbraw/zinc/09/19/11/947091911.db2.gz ROHKDAAGPFMWGM-NQMVMOMDSA-N -1 1 381.322 0.618 20 30 GCEDMM C=C1CC(C)(C(=O)N(C)C[C@@H](O)CNc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573300505 947113469 /nfs/dbraw/zinc/11/34/69/947113469.db2.gz YELNKRZMPYSHBJ-LBPRGKRZSA-N -1 1 386.460 0.807 20 30 GCEDMM C=C1CC(C)(C(=O)N(C)C[C@@H](O)CNc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573300505 947113473 /nfs/dbraw/zinc/11/34/73/947113473.db2.gz YELNKRZMPYSHBJ-LBPRGKRZSA-N -1 1 386.460 0.807 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573301076 947127823 /nfs/dbraw/zinc/12/78/23/947127823.db2.gz YOZBLSMMAUDECW-RISCZKNCSA-N -1 1 387.448 0.353 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573301076 947127825 /nfs/dbraw/zinc/12/78/25/947127825.db2.gz YOZBLSMMAUDECW-RISCZKNCSA-N -1 1 387.448 0.353 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573301136 947130978 /nfs/dbraw/zinc/13/09/78/947130978.db2.gz ZINXZRFFEIRZOR-CYBMUJFWSA-N -1 1 387.448 0.070 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573301136 947130985 /nfs/dbraw/zinc/13/09/85/947130985.db2.gz ZINXZRFFEIRZOR-CYBMUJFWSA-N -1 1 387.448 0.070 20 30 GCEDMM C=CC(C)(C)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573305141 947150022 /nfs/dbraw/zinc/15/00/22/947150022.db2.gz MQFXMNQPLPBWTF-GOSISDBHSA-N -1 1 386.460 0.707 20 30 GCEDMM C=CC(C)(C)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573305141 947150025 /nfs/dbraw/zinc/15/00/25/947150025.db2.gz MQFXMNQPLPBWTF-GOSISDBHSA-N -1 1 386.460 0.707 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001573577002 947158121 /nfs/dbraw/zinc/15/81/21/947158121.db2.gz KTMWGRJODOPEAG-XSPKLOCKSA-N -1 1 378.849 0.935 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001573577002 947158130 /nfs/dbraw/zinc/15/81/30/947158130.db2.gz KTMWGRJODOPEAG-XSPKLOCKSA-N -1 1 378.849 0.935 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573578162 947182383 /nfs/dbraw/zinc/18/23/83/947182383.db2.gz ZFQQEQPHHXSBAE-CPFSXVBKSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCO1 ZINC001573581994 947187653 /nfs/dbraw/zinc/18/76/53/947187653.db2.gz BJOPYVDMZGVVHO-YUMQZZPRSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001573581994 947187664 /nfs/dbraw/zinc/18/76/64/947187664.db2.gz BJOPYVDMZGVVHO-YUMQZZPRSA-N -1 1 382.837 0.458 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N(C)CCCN(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573309123 947190751 /nfs/dbraw/zinc/19/07/51/947190751.db2.gz COZOAKMSEDHAMB-SFHVURJKSA-N -1 1 388.476 0.831 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N(C)CCCN(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573309123 947190758 /nfs/dbraw/zinc/19/07/58/947190758.db2.gz COZOAKMSEDHAMB-SFHVURJKSA-N -1 1 388.476 0.831 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001573582556 947194563 /nfs/dbraw/zinc/19/45/63/947194563.db2.gz FHVGNPGWKUZOHI-JGVFFNPUSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001573582556 947194566 /nfs/dbraw/zinc/19/45/66/947194566.db2.gz FHVGNPGWKUZOHI-JGVFFNPUSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573582922 947197582 /nfs/dbraw/zinc/19/75/82/947197582.db2.gz HWTVGHNSNBZNTP-WFASDCNBSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573582910 947198974 /nfs/dbraw/zinc/19/89/74/947198974.db2.gz HWTVGHNSNBZNTP-DOMZBBRYSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001573583320 947202821 /nfs/dbraw/zinc/20/28/21/947202821.db2.gz KVZIJPONPYKJOU-UWVGGRQHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573583320 947202832 /nfs/dbraw/zinc/20/28/32/947202832.db2.gz KVZIJPONPYKJOU-UWVGGRQHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001573584257 947217512 /nfs/dbraw/zinc/21/75/12/947217512.db2.gz RYXMVWGZYMDDCI-NXEZZACHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001573584257 947217526 /nfs/dbraw/zinc/21/75/26/947217526.db2.gz RYXMVWGZYMDDCI-NXEZZACHSA-N -1 1 377.359 0.394 20 30 GCEDMM CCOC(=O)c1cnn(CC(=O)N(CC#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000825564784 947222390 /nfs/dbraw/zinc/22/23/90/947222390.db2.gz FOPLWLVDNIXHFE-UHFFFAOYSA-N -1 1 380.368 0.797 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573584485 947224963 /nfs/dbraw/zinc/22/49/63/947224963.db2.gz WUJKLUPYYDCKBZ-SWLSCSKDSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573584485 947224975 /nfs/dbraw/zinc/22/49/75/947224975.db2.gz WUJKLUPYYDCKBZ-SWLSCSKDSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F ZINC001573584537 947226132 /nfs/dbraw/zinc/22/61/32/947226132.db2.gz XVLSAIXXDGVCAR-NXEZZACHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F ZINC001573584537 947226143 /nfs/dbraw/zinc/22/61/43/947226143.db2.gz XVLSAIXXDGVCAR-NXEZZACHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1cccc2c1CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573585302 947251553 /nfs/dbraw/zinc/25/15/53/947251553.db2.gz NOWXTSISRVRLNG-LBPRGKRZSA-N -1 1 389.423 0.995 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1cccc2c1CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573585302 947251568 /nfs/dbraw/zinc/25/15/68/947251568.db2.gz NOWXTSISRVRLNG-LBPRGKRZSA-N -1 1 389.423 0.995 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573585256 947253078 /nfs/dbraw/zinc/25/30/78/947253078.db2.gz MLBQJZUJSVRJIN-NSHDSACASA-N -1 1 375.396 0.953 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573585256 947253086 /nfs/dbraw/zinc/25/30/86/947253086.db2.gz MLBQJZUJSVRJIN-NSHDSACASA-N -1 1 375.396 0.953 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)CCC1 ZINC001573326071 947364635 /nfs/dbraw/zinc/36/46/35/947364635.db2.gz JWECNXYUVJUNQD-TZMCWYRMSA-N -1 1 384.444 0.459 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)CCC1 ZINC001573326071 947364646 /nfs/dbraw/zinc/36/46/46/947364646.db2.gz JWECNXYUVJUNQD-TZMCWYRMSA-N -1 1 384.444 0.459 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)CCC1 ZINC001573326070 947365393 /nfs/dbraw/zinc/36/53/93/947365393.db2.gz JWECNXYUVJUNQD-OCCSQVGLSA-N -1 1 384.444 0.459 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)CCC1 ZINC001573326070 947365407 /nfs/dbraw/zinc/36/54/07/947365407.db2.gz JWECNXYUVJUNQD-OCCSQVGLSA-N -1 1 384.444 0.459 20 30 GCEDMM C=CCC1(C(=O)N(C)C[C@@H](O)CN(C)c2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001573326130 947368845 /nfs/dbraw/zinc/36/88/45/947368845.db2.gz LPDUIAFEPROKDJ-ZDUSSCGKSA-N -1 1 386.460 0.659 20 30 GCEDMM C=CCC1(C(=O)N(C)C[C@@H](O)CN(C)c2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001573326130 947368859 /nfs/dbraw/zinc/36/88/59/947368859.db2.gz LPDUIAFEPROKDJ-ZDUSSCGKSA-N -1 1 386.460 0.659 20 30 GCEDMM C=CCC1(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)CCC1 ZINC001573326482 947374922 /nfs/dbraw/zinc/37/49/22/947374922.db2.gz PGDRTGDBZRNGLL-ZDUSSCGKSA-N -1 1 384.444 0.725 20 30 GCEDMM C=CCC1(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)CCC1 ZINC001573326482 947374938 /nfs/dbraw/zinc/37/49/38/947374938.db2.gz PGDRTGDBZRNGLL-ZDUSSCGKSA-N -1 1 384.444 0.725 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001573326761 947378165 /nfs/dbraw/zinc/37/81/65/947378165.db2.gz UDCCQRXDDIGZRJ-CYBMUJFWSA-N -1 1 384.444 0.725 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001573326761 947378176 /nfs/dbraw/zinc/37/81/76/947378176.db2.gz UDCCQRXDDIGZRJ-CYBMUJFWSA-N -1 1 384.444 0.725 20 30 GCEDMM C=CCC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001573326762 947378612 /nfs/dbraw/zinc/37/86/12/947378612.db2.gz UDCCQRXDDIGZRJ-ZDUSSCGKSA-N -1 1 384.444 0.725 20 30 GCEDMM C=CCC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001573326762 947378624 /nfs/dbraw/zinc/37/86/24/947378624.db2.gz UDCCQRXDDIGZRJ-ZDUSSCGKSA-N -1 1 384.444 0.725 20 30 GCEDMM C=CCCC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001573328000 947401470 /nfs/dbraw/zinc/40/14/70/947401470.db2.gz PMBWMTMKPJKHQV-DTWKUNHWSA-N -1 1 383.865 0.999 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573337307 947516248 /nfs/dbraw/zinc/51/62/48/947516248.db2.gz VJAJGHXYHFIMQR-MELADBBJSA-N -1 1 384.444 0.533 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573337307 947516252 /nfs/dbraw/zinc/51/62/52/947516252.db2.gz VJAJGHXYHFIMQR-MELADBBJSA-N -1 1 384.444 0.533 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573337389 947516291 /nfs/dbraw/zinc/51/62/91/947516291.db2.gz WUVDIOKSKQCFSM-ZIAGYGMSSA-N -1 1 386.460 0.923 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573337389 947516295 /nfs/dbraw/zinc/51/62/95/947516295.db2.gz WUVDIOKSKQCFSM-ZIAGYGMSSA-N -1 1 386.460 0.923 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573337386 947516369 /nfs/dbraw/zinc/51/63/69/947516369.db2.gz WUVDIOKSKQCFSM-KBPBESRZSA-N -1 1 386.460 0.923 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573337386 947516380 /nfs/dbraw/zinc/51/63/80/947516380.db2.gz WUVDIOKSKQCFSM-KBPBESRZSA-N -1 1 386.460 0.923 20 30 GCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)[C@@H](C)C1 ZINC001573344210 947570091 /nfs/dbraw/zinc/57/00/91/947570091.db2.gz ZIESAJJLHCJDSX-QWHCGFSZSA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)[C@@H](C)C1 ZINC001573344210 947570097 /nfs/dbraw/zinc/57/00/97/947570097.db2.gz ZIESAJJLHCJDSX-QWHCGFSZSA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCn1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001573347791 947577454 /nfs/dbraw/zinc/57/74/54/947577454.db2.gz IIEVABJTBUAYOL-LLVKDONJSA-N -1 1 381.404 0.151 20 30 GCEDMM C=CCn1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001573347791 947577461 /nfs/dbraw/zinc/57/74/61/947577461.db2.gz IIEVABJTBUAYOL-LLVKDONJSA-N -1 1 381.404 0.151 20 30 GCEDMM C=CCOCCCC(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573347759 947577661 /nfs/dbraw/zinc/57/76/61/947577661.db2.gz HLXPGQOOTKCGKL-UHFFFAOYSA-N -1 1 386.460 0.972 20 30 GCEDMM C=CCOCCCC(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573347759 947577667 /nfs/dbraw/zinc/57/76/67/947577667.db2.gz HLXPGQOOTKCGKL-UHFFFAOYSA-N -1 1 386.460 0.972 20 30 GCEDMM C=CCOCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573348996 947588730 /nfs/dbraw/zinc/58/87/30/947588730.db2.gz XSKLWFGWVMVAKK-ZIAGYGMSSA-N -1 1 386.460 0.710 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573350245 947592862 /nfs/dbraw/zinc/59/28/62/947592862.db2.gz ALUYIGSMJBGUFE-MJBXVCDLSA-N -1 1 384.444 0.533 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1CC ZINC001573350430 947596583 /nfs/dbraw/zinc/59/65/83/947596583.db2.gz BIPFOPAWQLNTRG-OSRDXIQISA-N -1 1 384.444 0.721 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1CC ZINC001573350430 947596588 /nfs/dbraw/zinc/59/65/88/947596588.db2.gz BIPFOPAWQLNTRG-OSRDXIQISA-N -1 1 384.444 0.721 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573351067 947607777 /nfs/dbraw/zinc/60/77/77/947607777.db2.gz JIHHUVSLBISYKX-KGLIPLIRSA-N -1 1 384.444 0.723 20 30 GCEDMM C=CCn1cc(C(=O)N[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)nn1 ZINC001573351176 947610592 /nfs/dbraw/zinc/61/05/92/947610592.db2.gz NMEWREHZGRQGGR-MGCOHNPYSA-N -1 1 386.445 0.782 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573351321 947613073 /nfs/dbraw/zinc/61/30/73/947613073.db2.gz QPCTVRLQPIAOQL-SPKLELGKSA-N -1 1 398.471 0.895 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573351321 947613078 /nfs/dbraw/zinc/61/30/78/947613078.db2.gz QPCTVRLQPIAOQL-SPKLELGKSA-N -1 1 398.471 0.895 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573351620 947617182 /nfs/dbraw/zinc/61/71/82/947617182.db2.gz UORTXDBJMAEMKM-FRIZHTMISA-N -1 1 398.471 0.971 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573351620 947617188 /nfs/dbraw/zinc/61/71/88/947617188.db2.gz UORTXDBJMAEMKM-FRIZHTMISA-N -1 1 398.471 0.971 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573351935 947624307 /nfs/dbraw/zinc/62/43/07/947624307.db2.gz XVSCBEJYGPREFB-VHDGCEQUSA-N -1 1 396.455 0.723 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573351935 947624312 /nfs/dbraw/zinc/62/43/12/947624312.db2.gz XVSCBEJYGPREFB-VHDGCEQUSA-N -1 1 396.455 0.723 20 30 GCEDMM CC#CCCCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001573357929 947655005 /nfs/dbraw/zinc/65/50/05/947655005.db2.gz COLDFNUXZJAYNC-SFHVURJKSA-N -1 1 384.444 0.562 20 30 GCEDMM CC#CCCCC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573358992 947676163 /nfs/dbraw/zinc/67/61/63/947676163.db2.gz SZQWNTMOUUDYKC-SFHVURJKSA-N -1 1 384.444 0.298 20 30 GCEDMM CC#CCCCC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573358992 947676168 /nfs/dbraw/zinc/67/61/68/947676168.db2.gz SZQWNTMOUUDYKC-SFHVURJKSA-N -1 1 384.444 0.298 20 30 GCEDMM C[C@@H](C(=O)N1CCC(Nc2ccccc2C#N)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573622659 947683448 /nfs/dbraw/zinc/68/34/48/947683448.db2.gz CCIDWIFRSVWTGL-LBPRGKRZSA-N -1 1 392.427 0.994 20 30 GCEDMM C[C@@H](C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573643106 947862774 /nfs/dbraw/zinc/86/27/74/947862774.db2.gz UEMMXSMKDGCUQX-SMDDNHRTSA-N -1 1 379.384 0.491 20 30 GCEDMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001575514040 949160049 /nfs/dbraw/zinc/16/00/49/949160049.db2.gz UYWJLQNFAHNWEV-SECBINFHSA-N -1 1 385.413 0.373 20 30 GCEDMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001575514040 949160077 /nfs/dbraw/zinc/16/00/77/949160077.db2.gz UYWJLQNFAHNWEV-SECBINFHSA-N -1 1 385.413 0.373 20 30 GCEDMM CC(C)(C)C#CC(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573792876 949273372 /nfs/dbraw/zinc/27/33/72/949273372.db2.gz HETOPRMLCCMDHY-ZDUSSCGKSA-N -1 1 384.444 0.736 20 30 GCEDMM CC(C)(C)C#CC(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573792876 949273394 /nfs/dbraw/zinc/27/33/94/949273394.db2.gz HETOPRMLCCMDHY-ZDUSSCGKSA-N -1 1 384.444 0.736 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575886592 949889659 /nfs/dbraw/zinc/88/96/59/949889659.db2.gz MYPYRQYKSCLMMF-ZYHUDNBSSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575890556 949956396 /nfs/dbraw/zinc/95/63/96/949956396.db2.gz YACRWRTZTZNRMV-MFKMUULPSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575890556 949956403 /nfs/dbraw/zinc/95/64/03/949956403.db2.gz YACRWRTZTZNRMV-MFKMUULPSA-N -1 1 378.400 0.644 20 30 GCEDMM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001573833616 950004846 /nfs/dbraw/zinc/00/48/46/950004846.db2.gz AQHRJCWBKDONML-SECBINFHSA-N -1 1 389.445 0.738 20 30 GCEDMM C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192777 950265615 /nfs/dbraw/zinc/26/56/15/950265615.db2.gz QYGHLTVMYFMZKR-NWDGAFQWSA-N -1 1 392.427 0.489 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573851958 950296447 /nfs/dbraw/zinc/29/64/47/950296447.db2.gz AUQNZXPQUNJZCZ-KOLCDFICSA-N -1 1 382.388 0.699 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573851959 950297283 /nfs/dbraw/zinc/29/72/83/950297283.db2.gz AUQNZXPQUNJZCZ-MWLCHTKSSA-N -1 1 382.388 0.699 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573856512 950390735 /nfs/dbraw/zinc/39/07/35/950390735.db2.gz BFMWILNCVYNFIO-GXSJLCMTSA-N -1 1 387.404 0.168 20 30 GCEDMM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(c1cnc(-c3nnn[n-]3)c(C#N)n1)C2 ZINC001573863975 950493987 /nfs/dbraw/zinc/49/39/87/950493987.db2.gz VJQKGELQVHGCPW-BTDLBPIBSA-N -1 1 384.400 0.323 20 30 GCEDMM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(c1cnc(-c3nn[n-]n3)c(C#N)n1)C2 ZINC001573863975 950493998 /nfs/dbraw/zinc/49/39/98/950493998.db2.gz VJQKGELQVHGCPW-BTDLBPIBSA-N -1 1 384.400 0.323 20 30 GCEDMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575142756 952148522 /nfs/dbraw/zinc/14/85/22/952148522.db2.gz LJAROFPYIWBBFM-KRWDZBQOSA-N -1 1 378.400 0.289 20 30 GCEDMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575155578 952241427 /nfs/dbraw/zinc/24/14/27/952241427.db2.gz NRYXDSLAKNMMCN-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575155578 952241433 /nfs/dbraw/zinc/24/14/33/952241433.db2.gz NRYXDSLAKNMMCN-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571120163 952500559 /nfs/dbraw/zinc/50/05/59/952500559.db2.gz IPRJDPKFFDQVRI-SUNKGSAMSA-N -1 1 376.384 0.396 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571120163 952500567 /nfs/dbraw/zinc/50/05/67/952500567.db2.gz IPRJDPKFFDQVRI-SUNKGSAMSA-N -1 1 376.384 0.396 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571136031 952612366 /nfs/dbraw/zinc/61/23/66/952612366.db2.gz LBIXATBWQXGZAC-ZYHUDNBSSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571136031 952612367 /nfs/dbraw/zinc/61/23/67/952612367.db2.gz LBIXATBWQXGZAC-ZYHUDNBSSA-N -1 1 378.400 0.644 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001571136391 952614397 /nfs/dbraw/zinc/61/43/97/952614397.db2.gz OZROCRUBCKXLFL-ZYHUDNBSSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001571136391 952614398 /nfs/dbraw/zinc/61/43/98/952614398.db2.gz OZROCRUBCKXLFL-ZYHUDNBSSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)[nH]1 ZINC001571136802 952616454 /nfs/dbraw/zinc/61/64/54/952616454.db2.gz WKRYYNNAJCPTHX-LBPRGKRZSA-N -1 1 378.400 0.645 20 30 GCEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)[nH]1 ZINC001571136802 952616455 /nfs/dbraw/zinc/61/64/55/952616455.db2.gz WKRYYNNAJCPTHX-LBPRGKRZSA-N -1 1 378.400 0.645 20 30 GCEDMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571136955 952617527 /nfs/dbraw/zinc/61/75/27/952617527.db2.gz YDZWKCBPMXZUKE-CMPLNLGQSA-N -1 1 378.400 0.962 20 30 GCEDMM 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HUAQBCJEABOPPY-WYMLVPIESA-N -1 1 384.345 0.539 20 30 GCEDMM O=c1nc(NN=Cc2c(N3CCOCC3)nc3ccccn32)nc2[nH][n-]cc1-2 ZINC000741809408 1201785370 /nfs/dbraw/zinc/78/53/70/1201785370.db2.gz FNVHFHFTAFOCKF-UHFFFAOYSA-N -1 1 379.384 0.362 20 30 GCEDMM N#Cc1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)ccc1N1CCC(O)CC1 ZINC000743733451 1201823089 /nfs/dbraw/zinc/82/30/89/1201823089.db2.gz QKHRJSLFQSXUFC-UHFFFAOYSA-N -1 1 383.408 0.398 20 30 GCEDMM C#CCOc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000746301116 1201906171 /nfs/dbraw/zinc/90/61/71/1201906171.db2.gz ZCXCXCKYVMKFPS-UHFFFAOYSA-N -1 1 395.368 0.447 20 30 GCEDMM COc1cccc(C[C@H]2CN(C(=O)CCn3cc(C#N)c(=O)[n-]c3=O)CCN2)c1 ZINC001169261916 1201940188 /nfs/dbraw/zinc/94/01/88/1201940188.db2.gz YLRIBGVALVMAKB-INIZCTEOSA-N -1 1 397.435 0.262 20 30 GCEDMM N#Cc1ccc(N2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)c(Cl)c1 ZINC000768060663 1201998564 /nfs/dbraw/zinc/99/85/64/1201998564.db2.gz SAUFOZFPEKABJL-UHFFFAOYSA-N -1 1 387.827 0.801 20 30 GCEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000770872122 1202116641 /nfs/dbraw/zinc/11/66/41/1202116641.db2.gz SDSVUPNGPRATNO-JSGCOSHPSA-N -1 1 382.355 0.571 20 30 GCEDMM NC(=O)c1cc2c([nH]c1=O)CCCC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000788991247 1205433758 /nfs/dbraw/zinc/43/37/58/1205433758.db2.gz INFXKRQREMEEEL-UHFFFAOYSA-N -1 1 385.405 0.665 20 30 GCEDMM Cn1[n-]cc2c(=NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)ccnc1-2 ZINC000791168047 1205474478 /nfs/dbraw/zinc/47/44/78/1205474478.db2.gz VHSASPUSHWUDDC-UHFFFAOYSA-N -1 1 384.421 0.786 20 30 GCEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807338813 1205579637 /nfs/dbraw/zinc/57/96/37/1205579637.db2.gz HQMSYJWHSRLYCU-UHFFFAOYSA-N -1 1 383.408 0.971 20 30 GCEDMM N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2cc(N3CC[NH+]=C3[O-])ccc2F)c1 ZINC000813979401 1205684405 /nfs/dbraw/zinc/68/44/05/1205684405.db2.gz QXNPFWIQXRODTK-UHFFFAOYSA-N -1 1 389.368 0.741 20 30 GCEDMM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N([O-])C(=N)c1nonc1N ZINC001177078656 1205761289 /nfs/dbraw/zinc/76/12/89/1205761289.db2.gz MZNJMTXGCIZEJH-QMMMGPOBSA-N -1 1 380.365 0.054 20 30 GCEDMM N#Cc1cc(CC(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])ccc1F ZINC001181194444 1205840090 /nfs/dbraw/zinc/84/00/90/1205840090.db2.gz LWSVMCZERUXMSZ-HNNXBMFYSA-N -1 1 387.371 0.281 20 30 GCEDMM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N([O-])C(=N)c2nonc2N)cc1 ZINC001182123511 1205856520 /nfs/dbraw/zinc/85/65/20/1205856520.db2.gz OXRMIYMTGVMLDH-NSHDSACASA-N -1 1 394.413 0.357 20 30 GCEDMM N#Cc1cccc(CCC(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC001182343855 1205865972 /nfs/dbraw/zinc/86/59/72/1205865972.db2.gz UJWIDPALSLQNAB-INIZCTEOSA-N -1 1 383.408 0.532 20 30 GCEDMM C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(C(=O)OCC)c[n-]2)c1 ZINC000774293087 1205869175 /nfs/dbraw/zinc/86/91/75/1205869175.db2.gz PLKZPIKKSNIPQQ-UHFFFAOYSA-N -1 1 376.394 0.750 20 30 GCEDMM Nc1nonc1C(=Nc1ccc(F)c(Cl)c1)N([O-])C(=O)[C@H]1CCNC1=O ZINC001183001510 1205884630 /nfs/dbraw/zinc/88/46/30/1205884630.db2.gz PHPMQCMKBWKOND-ZETCQYMHSA-N -1 1 382.739 0.877 20 30 GCEDMM COc1nc(OC)c(C(=O)N([O-])C(=N)c2nonc2N)cc1Br ZINC001185441510 1205922316 /nfs/dbraw/zinc/92/23/16/1205922316.db2.gz NITIHBFRQQUDHK-UHFFFAOYSA-N -1 1 387.150 0.683 20 30 GCEDMM COc1nc(C(=NS(=O)(=O)c2c[n-]cn2)NO)ccc1-n1cnc(C)c1 ZINC001187798670 1205969115 /nfs/dbraw/zinc/96/91/15/1205969115.db2.gz NSIGMEHDJQDVOC-UHFFFAOYSA-N -1 1 377.386 0.422 20 30 GCEDMM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1ncc(C(F)(F)F)[nH]1 ZINC001188297082 1205977689 /nfs/dbraw/zinc/97/76/89/1205977689.db2.gz XWDLKMLNXAFTPH-SSDOTTSWSA-N -1 1 392.296 0.585 20 30 GCEDMM C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)CC[N-]C(=O)C(F)(F)F)C1=O ZINC001188700194 1205989710 /nfs/dbraw/zinc/98/97/10/1205989710.db2.gz JHRYTNWPSFPCQO-MRXNPFEDSA-N -1 1 396.325 0.963 20 30 GCEDMM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)[n-]n1 ZINC001190828159 1206047646 /nfs/dbraw/zinc/04/76/46/1206047646.db2.gz FTVYFFQQAVUSSZ-NSHDSACASA-N -1 1 377.382 0.305 20 30 GCEDMM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)n[n-]1 ZINC001190828159 1206047648 /nfs/dbraw/zinc/04/76/48/1206047648.db2.gz FTVYFFQQAVUSSZ-NSHDSACASA-N -1 1 377.382 0.305 20 30 GCEDMM CNS(=O)(=O)c1cccc([C@H](C)Nc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001571257827 945346257 /nfs/dbraw/zinc/34/62/57/945346257.db2.gz JYRULJQGFDJMLS-VIFPVBQESA-N -1 1 385.413 0.610 20 30 GCEDMM CNS(=O)(=O)c1cccc([C@@H](C)Nc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001571258428 945352848 /nfs/dbraw/zinc/35/28/48/945352848.db2.gz QMXVBQGJKOPGKI-SECBINFHSA-N -1 1 385.413 0.610 20 30 GCEDMM CNS(=O)(=O)c1cccc([C@@H](C)Nc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001571258428 945352859 /nfs/dbraw/zinc/35/28/59/945352859.db2.gz QMXVBQGJKOPGKI-SECBINFHSA-N -1 1 385.413 0.610 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001571296047 946183044 /nfs/dbraw/zinc/18/30/44/946183044.db2.gz MLHKTFPEDPTFJE-HUUCEWRRSA-N -1 1 390.411 0.740 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001571296047 946183057 /nfs/dbraw/zinc/18/30/57/946183057.db2.gz MLHKTFPEDPTFJE-HUUCEWRRSA-N -1 1 390.411 0.740 20 30 GCEDMM N#Cc1cc(C(=O)N2CCC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)c[nH]1 ZINC001571296107 946184639 /nfs/dbraw/zinc/18/46/39/946184639.db2.gz NYMCADJCYOVPBZ-SMDDNHRTSA-N -1 1 390.411 0.597 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571296140 946187590 /nfs/dbraw/zinc/18/75/90/946187590.db2.gz OZOUSLZKFAAWAY-GXTWGEPZSA-N -1 1 390.411 0.597 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC001571312821 946502445 /nfs/dbraw/zinc/50/24/45/946502445.db2.gz KVHRBQGNAORONO-YPMHNXCESA-N -1 1 392.427 0.952 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC001571312821 946502454 /nfs/dbraw/zinc/50/24/54/946502454.db2.gz KVHRBQGNAORONO-YPMHNXCESA-N -1 1 392.427 0.952 20 30 GCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571312833 946503811 /nfs/dbraw/zinc/50/38/11/946503811.db2.gz LBHZEKZODQABPS-DGCLKSJQSA-N -1 1 392.427 0.891 20 30 GCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571312833 946503821 /nfs/dbraw/zinc/50/38/21/946503821.db2.gz LBHZEKZODQABPS-DGCLKSJQSA-N -1 1 392.427 0.891 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)n1 ZINC001571313657 946528418 /nfs/dbraw/zinc/52/84/18/946528418.db2.gz VIAGMTKUGFDCPL-RYUDHWBXSA-N -1 1 392.427 0.952 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)n1 ZINC001571313657 946528432 /nfs/dbraw/zinc/52/84/32/946528432.db2.gz VIAGMTKUGFDCPL-RYUDHWBXSA-N -1 1 392.427 0.952 20 30 GCEDMM CC(C)NC(=O)c1ccccc1NC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000824305328 946649076 /nfs/dbraw/zinc/64/90/76/946649076.db2.gz NOXHKDUPLGEMQF-UHFFFAOYSA-N -1 1 379.384 0.712 20 30 GCEDMM C#CC[C@H](CCOC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001573280783 946668616 /nfs/dbraw/zinc/66/86/16/946668616.db2.gz RVGQKEVTWHKKFG-SNVBAGLBSA-N -1 1 380.386 0.482 20 30 GCEDMM C#CC[C@H](CCOC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001573280783 946668619 /nfs/dbraw/zinc/66/86/19/946668619.db2.gz RVGQKEVTWHKKFG-SNVBAGLBSA-N -1 1 380.386 0.482 20 30 GCEDMM C#CCN(C(=O)c1ccoc1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573282046 946683361 /nfs/dbraw/zinc/68/33/61/946683361.db2.gz FBUMQILISJHUPV-UHFFFAOYSA-N -1 1 378.396 0.994 20 30 GCEDMM C#CCN(C(=O)c1ccoc1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573282046 946683367 /nfs/dbraw/zinc/68/33/67/946683367.db2.gz FBUMQILISJHUPV-UHFFFAOYSA-N -1 1 378.396 0.994 20 30 GCEDMM C#CCCCCCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573282394 946691647 /nfs/dbraw/zinc/69/16/47/946691647.db2.gz JTJCYXUJPRJITP-GOSISDBHSA-N -1 1 384.444 0.298 20 30 GCEDMM C#CCCCCCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573282394 946691651 /nfs/dbraw/zinc/69/16/51/946691651.db2.gz JTJCYXUJPRJITP-GOSISDBHSA-N -1 1 384.444 0.298 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1C[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573284895 946759785 /nfs/dbraw/zinc/75/97/85/946759785.db2.gz AKUCYJGRQFCZRI-KWCYVHTRSA-N -1 1 384.444 0.510 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1C[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573284895 946759792 /nfs/dbraw/zinc/75/97/92/946759792.db2.gz AKUCYJGRQFCZRI-KWCYVHTRSA-N -1 1 384.444 0.510 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N(CCC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573285372 946775701 /nfs/dbraw/zinc/77/57/01/946775701.db2.gz GXXWFHOKKJSLPM-KBPBESRZSA-N -1 1 384.444 0.512 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N(CCC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573285372 946775711 /nfs/dbraw/zinc/77/57/11/946775711.db2.gz GXXWFHOKKJSLPM-KBPBESRZSA-N -1 1 384.444 0.512 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573285879 946790457 /nfs/dbraw/zinc/79/04/57/946790457.db2.gz QCSXEGSNWINFNZ-KBPBESRZSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573285879 946790472 /nfs/dbraw/zinc/79/04/72/946790472.db2.gz QCSXEGSNWINFNZ-KBPBESRZSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573286344 946803875 /nfs/dbraw/zinc/80/38/75/946803875.db2.gz ZFINUTURPNQNOT-KBPBESRZSA-N -1 1 384.444 0.878 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573286344 946803892 /nfs/dbraw/zinc/80/38/92/946803892.db2.gz ZFINUTURPNQNOT-KBPBESRZSA-N -1 1 384.444 0.878 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001573286765 946818571 /nfs/dbraw/zinc/81/85/71/946818571.db2.gz AXHRSVMFAAICMV-ZDUSSCGKSA-N -1 1 375.396 0.172 20 30 GCEDMM C#Cc1ccc(C(=O)NCCN(C)c2cc(-c3nnn[n-]3)nc(CC)n2)nc1 ZINC001573286815 946821678 /nfs/dbraw/zinc/82/16/78/946821678.db2.gz BKLTZUJLOKGOCW-UHFFFAOYSA-N -1 1 377.412 0.462 20 30 GCEDMM C#Cc1ccc(C(=O)NCCN(C)c2cc(-c3nn[n-]n3)nc(CC)n2)nc1 ZINC001573286815 946821686 /nfs/dbraw/zinc/82/16/86/946821686.db2.gz BKLTZUJLOKGOCW-UHFFFAOYSA-N -1 1 377.412 0.462 20 30 GCEDMM C#CCOCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573287177 946828252 /nfs/dbraw/zinc/82/82/52/946828252.db2.gz MDBSDBPVGYQGMA-OKILXGFUSA-N -1 1 382.428 0.266 20 30 GCEDMM C#CCOCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573287177 946828262 /nfs/dbraw/zinc/82/82/62/946828262.db2.gz MDBSDBPVGYQGMA-OKILXGFUSA-N -1 1 382.428 0.266 20 30 GCEDMM C#Cc1ccc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573287132 946830760 /nfs/dbraw/zinc/83/07/60/946830760.db2.gz FYSOOEMCJVOQAC-UHFFFAOYSA-N -1 1 375.396 0.654 20 30 GCEDMM C#Cc1ccc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573287132 946830768 /nfs/dbraw/zinc/83/07/68/946830768.db2.gz FYSOOEMCJVOQAC-UHFFFAOYSA-N -1 1 375.396 0.654 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)C)cn1 ZINC001573287465 946838891 /nfs/dbraw/zinc/83/88/91/946838891.db2.gz IDHSBZCSAUEDNC-OAHLLOKOSA-N -1 1 377.412 0.900 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)C)cn1 ZINC001573287465 946838900 /nfs/dbraw/zinc/83/89/00/946838900.db2.gz IDHSBZCSAUEDNC-OAHLLOKOSA-N -1 1 377.412 0.900 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)cn1 ZINC001573287767 946845075 /nfs/dbraw/zinc/84/50/75/946845075.db2.gz KWEQJGHZUAKPHW-IUODEOHRSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)nc1 ZINC001573287842 946849340 /nfs/dbraw/zinc/84/93/40/946849340.db2.gz FYIURQXDXDGNPP-CQSZACIVSA-N -1 1 389.423 0.916 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)nc1 ZINC001573287842 946849346 /nfs/dbraw/zinc/84/93/46/946849346.db2.gz FYIURQXDXDGNPP-CQSZACIVSA-N -1 1 389.423 0.916 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573288057 946856386 /nfs/dbraw/zinc/85/63/86/946856386.db2.gz HTGLHMMYUVFSMF-AWEZNQCLSA-N -1 1 375.396 0.384 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573288057 946856396 /nfs/dbraw/zinc/85/63/96/946856396.db2.gz HTGLHMMYUVFSMF-AWEZNQCLSA-N -1 1 375.396 0.384 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573288291 946864061 /nfs/dbraw/zinc/86/40/61/946864061.db2.gz UDTDQCQPABZBKB-KGLIPLIRSA-N -1 1 384.444 0.593 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573288291 946864072 /nfs/dbraw/zinc/86/40/72/946864072.db2.gz UDTDQCQPABZBKB-KGLIPLIRSA-N -1 1 384.444 0.593 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573288293 946864338 /nfs/dbraw/zinc/86/43/38/946864338.db2.gz UDTDQCQPABZBKB-UONOGXRCSA-N -1 1 384.444 0.593 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573288293 946864349 /nfs/dbraw/zinc/86/43/49/946864349.db2.gz UDTDQCQPABZBKB-UONOGXRCSA-N -1 1 384.444 0.593 20 30 GCEDMM C#CCn1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)cn1 ZINC001573288478 946868724 /nfs/dbraw/zinc/86/87/24/946868724.db2.gz LKWXAMSCIYJRLY-UHFFFAOYSA-N -1 1 388.369 0.083 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001573288528 946871822 /nfs/dbraw/zinc/87/18/22/946871822.db2.gz RKOLQZCBTDNCMX-AWEZNQCLSA-N -1 1 375.396 0.350 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573288528 946871834 /nfs/dbraw/zinc/87/18/34/946871834.db2.gz RKOLQZCBTDNCMX-AWEZNQCLSA-N -1 1 375.396 0.350 20 30 GCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573288839 946878538 /nfs/dbraw/zinc/87/85/38/946878538.db2.gz YUABHJMFFCBYGY-RKDXNWHRSA-N -1 1 383.865 0.956 20 30 GCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573288839 946878550 /nfs/dbraw/zinc/87/85/50/946878550.db2.gz YUABHJMFFCBYGY-RKDXNWHRSA-N -1 1 383.865 0.956 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573288827 946879418 /nfs/dbraw/zinc/87/94/18/946879418.db2.gz YUABHJMFFCBYGY-BDAKNGLRSA-N -1 1 383.865 0.956 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573288827 946879427 /nfs/dbraw/zinc/87/94/27/946879427.db2.gz YUABHJMFFCBYGY-BDAKNGLRSA-N -1 1 383.865 0.956 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)nc1 ZINC001573289522 946884910 /nfs/dbraw/zinc/88/49/10/946884910.db2.gz ZWAFDRSEKXNKGZ-JSGCOSHPSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)nc1 ZINC001573289522 946884934 /nfs/dbraw/zinc/88/49/34/946884934.db2.gz ZWAFDRSEKXNKGZ-JSGCOSHPSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)cn1 ZINC001573289392 946885938 /nfs/dbraw/zinc/88/59/38/946885938.db2.gz YSCZBVJKUUSCDW-SWLSCSKDSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)cn1 ZINC001573289392 946885944 /nfs/dbraw/zinc/88/59/44/946885944.db2.gz YSCZBVJKUUSCDW-SWLSCSKDSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001573289785 946891975 /nfs/dbraw/zinc/89/19/75/946891975.db2.gz CTQYBQVUXAHSBT-YEORSEQZSA-N -1 1 375.396 0.654 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001573289785 946891984 /nfs/dbraw/zinc/89/19/84/946891984.db2.gz CTQYBQVUXAHSBT-YEORSEQZSA-N -1 1 375.396 0.654 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573290102 946899041 /nfs/dbraw/zinc/89/90/41/946899041.db2.gz UNNITCJYKDVCHO-BXUZGUMPSA-N -1 1 375.396 0.028 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)cn1 ZINC001573290253 946900608 /nfs/dbraw/zinc/90/06/08/946900608.db2.gz URAGQXGFEAWPNS-AWEZNQCLSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)cn1 ZINC001573290253 946900613 /nfs/dbraw/zinc/90/06/13/946900613.db2.gz URAGQXGFEAWPNS-AWEZNQCLSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001573290325 946903053 /nfs/dbraw/zinc/90/30/53/946903053.db2.gz WODAAGZEIGLEPC-UHFFFAOYSA-N -1 1 391.439 0.665 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2cc(-c3nnn[n-]3)nc(CC)n2)cn1 ZINC001573290575 946907250 /nfs/dbraw/zinc/90/72/50/946907250.db2.gz ZRYBMYDNQDWPOZ-UHFFFAOYSA-N -1 1 391.439 0.804 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2cc(-c3nn[n-]n3)nc(CC)n2)cn1 ZINC001573290575 946907256 /nfs/dbraw/zinc/90/72/56/946907256.db2.gz ZRYBMYDNQDWPOZ-UHFFFAOYSA-N -1 1 391.439 0.804 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573290792 946910937 /nfs/dbraw/zinc/91/09/37/946910937.db2.gz PPCTXUBUYGNMSN-MRXNPFEDSA-N -1 1 388.435 0.966 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H](C)[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001573291287 946917599 /nfs/dbraw/zinc/91/75/99/946917599.db2.gz AUEURAMNKCWYFS-NEPJUHHUSA-N -1 1 377.412 0.960 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H](C)[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001573291287 946917608 /nfs/dbraw/zinc/91/76/08/946917608.db2.gz AUEURAMNKCWYFS-NEPJUHHUSA-N -1 1 377.412 0.960 20 30 GCEDMM C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573291329 946918443 /nfs/dbraw/zinc/91/84/43/946918443.db2.gz ZNJAPKSWBXXPHL-BXUZGUMPSA-N -1 1 375.396 0.028 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001573291877 946924109 /nfs/dbraw/zinc/92/41/09/946924109.db2.gz LIXZJOYUVOWRHK-ZFWWWQNUSA-N -1 1 389.423 0.466 20 30 GCEDMM C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001573292043 946925820 /nfs/dbraw/zinc/92/58/20/946925820.db2.gz NFVPJYMNGPZTOZ-GASCZTMLSA-N -1 1 387.407 0.526 20 30 GCEDMM C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001573292043 946925825 /nfs/dbraw/zinc/92/58/25/946925825.db2.gz NFVPJYMNGPZTOZ-GASCZTMLSA-N -1 1 387.407 0.526 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001573292034 946926636 /nfs/dbraw/zinc/92/66/36/946926636.db2.gz NDCAHTNPTOEOIA-HNNXBMFYSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001573292034 946926645 /nfs/dbraw/zinc/92/66/45/946926645.db2.gz NDCAHTNPTOEOIA-HNNXBMFYSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1 ZINC001573292255 946931929 /nfs/dbraw/zinc/93/19/29/946931929.db2.gz QWTMEOIYOTVYDU-RISCZKNCSA-N -1 1 375.396 0.430 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001573292255 946931937 /nfs/dbraw/zinc/93/19/37/946931937.db2.gz QWTMEOIYOTVYDU-RISCZKNCSA-N -1 1 375.396 0.430 20 30 GCEDMM C#Cc1cncc(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573292406 946934516 /nfs/dbraw/zinc/93/45/16/946934516.db2.gz VNXUUWWUQWIGLL-AWEZNQCLSA-N -1 1 389.423 0.679 20 30 GCEDMM C=C(C)[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)OCC ZINC001573292841 946941073 /nfs/dbraw/zinc/94/10/73/946941073.db2.gz DUHJQLSKYBXPJX-CQSZACIVSA-N -1 1 386.460 0.853 20 30 GCEDMM C[C@H](C#N)C(=O)N(CCNc1ccnc(-c2nn[n-]n2)n1)CCc1ccccc1 ZINC001573561218 946959430 /nfs/dbraw/zinc/95/94/30/946959430.db2.gz JDYGUQGZNAHMHW-CQSZACIVSA-N -1 1 391.439 0.721 20 30 GCEDMM C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573561730 946966343 /nfs/dbraw/zinc/96/63/43/946966343.db2.gz MNAHWALVNBPVCV-JGVFFNPUSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573561730 946966356 /nfs/dbraw/zinc/96/63/56/946966356.db2.gz MNAHWALVNBPVCV-JGVFFNPUSA-N -1 1 384.853 0.392 20 30 GCEDMM C=C1CCC(C(=O)NC[C@@H](O)CNc2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001573296367 947047011 /nfs/dbraw/zinc/04/70/11/947047011.db2.gz NYZJFSUJNZQEOT-ZDUSSCGKSA-N -1 1 386.460 0.855 20 30 GCEDMM C=C1CCC(C(=O)NC[C@@H](O)CNc2cc(-c3nn[n-]n3)nc(CC)n2)CC1 ZINC001573296367 947047018 /nfs/dbraw/zinc/04/70/18/947047018.db2.gz NYZJFSUJNZQEOT-ZDUSSCGKSA-N -1 1 386.460 0.855 20 30 GCEDMM C=C(C)[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)OCC ZINC001573301077 947128381 /nfs/dbraw/zinc/12/83/81/947128381.db2.gz YPGVFPQKSXGKAX-MCIONIFRSA-N -1 1 386.460 0.969 20 30 GCEDMM C=C(C)[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)OCC ZINC001573301077 947128387 /nfs/dbraw/zinc/12/83/87/947128387.db2.gz YPGVFPQKSXGKAX-MCIONIFRSA-N -1 1 386.460 0.969 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573575675 947141808 /nfs/dbraw/zinc/14/18/08/947141808.db2.gz AIZZARJPBWRGHX-CPFSXVBKSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573575675 947141814 /nfs/dbraw/zinc/14/18/14/947141814.db2.gz AIZZARJPBWRGHX-CPFSXVBKSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)O1 ZINC001573577274 947165938 /nfs/dbraw/zinc/16/59/38/947165938.db2.gz OJIDVRQUOXHUFU-NWDGAFQWSA-N -1 1 387.469 0.937 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573309089 947191642 /nfs/dbraw/zinc/19/16/42/947191642.db2.gz CLCQXTCRLMNGEJ-XIKOKIGWSA-N -1 1 386.460 0.583 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573309089 947191653 /nfs/dbraw/zinc/19/16/53/947191653.db2.gz CLCQXTCRLMNGEJ-XIKOKIGWSA-N -1 1 386.460 0.583 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573309406 947197572 /nfs/dbraw/zinc/19/75/72/947197572.db2.gz IMWVYJMQFWVHPT-UUWFMWQGSA-N -1 1 384.444 0.269 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573309539 947203362 /nfs/dbraw/zinc/20/33/62/947203362.db2.gz KJNKKQHIUXJOIH-FHSNZYRGSA-N -1 1 384.444 0.554 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573309539 947203371 /nfs/dbraw/zinc/20/33/71/947203371.db2.gz KJNKKQHIUXJOIH-FHSNZYRGSA-N -1 1 384.444 0.554 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573309668 947204894 /nfs/dbraw/zinc/20/48/94/947204894.db2.gz MQPAFSHKDQKUMA-UGSOOPFHSA-N -1 1 386.460 0.943 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573309668 947204903 /nfs/dbraw/zinc/20/49/03/947204903.db2.gz MQPAFSHKDQKUMA-UGSOOPFHSA-N -1 1 386.460 0.943 20 30 GCEDMM C[C@@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573583694 947208500 /nfs/dbraw/zinc/20/85/00/947208500.db2.gz NYCVWDVRMTZSOW-ZFWWWQNUSA-N -1 1 391.439 0.768 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)[C@@H]1C ZINC001573310181 947218698 /nfs/dbraw/zinc/21/86/98/947218698.db2.gz UKYFQRHDNFWPQU-SOZUMNATSA-N -1 1 386.460 0.630 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)[C@@H]1C ZINC001573310181 947218705 /nfs/dbraw/zinc/21/87/05/947218705.db2.gz UKYFQRHDNFWPQU-SOZUMNATSA-N -1 1 386.460 0.630 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573310356 947222203 /nfs/dbraw/zinc/22/22/03/947222203.db2.gz WXHMVMZCUKYMLF-SJCJKPOMSA-N -1 1 384.444 0.459 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573584483 947225351 /nfs/dbraw/zinc/22/53/51/947225351.db2.gz WUJKLUPYYDCKBZ-DOMZBBRYSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573584483 947225356 /nfs/dbraw/zinc/22/53/56/947225356.db2.gz WUJKLUPYYDCKBZ-DOMZBBRYSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573584562 947225987 /nfs/dbraw/zinc/22/59/87/947225987.db2.gz YDCYJXRDHFGLPL-WFASDCNBSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573584562 947226004 /nfs/dbraw/zinc/22/60/04/947226004.db2.gz YDCYJXRDHFGLPL-WFASDCNBSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F ZINC001573584538 947226486 /nfs/dbraw/zinc/22/64/86/947226486.db2.gz XVLSAIXXDGVCAR-UWVGGRQHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F ZINC001573584538 947226494 /nfs/dbraw/zinc/22/64/94/947226494.db2.gz XVLSAIXXDGVCAR-UWVGGRQHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573584545 947228316 /nfs/dbraw/zinc/22/83/16/947228316.db2.gz XXNVPGZWAWMGDB-HTQZYQBOSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1c1ccccc1 ZINC001573585711 947265802 /nfs/dbraw/zinc/26/58/02/947265802.db2.gz VIQLCICEQUUYBK-VHDGCEQUSA-N -1 1 389.423 0.905 20 30 GCEDMM CCn1c2nnc(Cn3cnc(-c4nn[n-]n4)c3C#N)n2c2ccccc2c1=O ZINC000825782692 947327826 /nfs/dbraw/zinc/32/78/26/947327826.db2.gz LSFKTYFKFWALSU-UHFFFAOYSA-N -1 1 387.367 0.361 20 30 GCEDMM CN(C)S(=O)(=O)c1ccc(OCCn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC000825875420 947353424 /nfs/dbraw/zinc/35/34/24/947353424.db2.gz OZKKKRVFJBECDH-UHFFFAOYSA-N -1 1 388.413 0.264 20 30 GCEDMM C=CCC(CC=C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1OC ZINC001573325955 947364433 /nfs/dbraw/zinc/36/44/33/947364433.db2.gz IYUNXAGTCKMQNM-HUUCEWRRSA-N -1 1 384.444 0.745 20 30 GCEDMM C=CCC(CC=C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1OC ZINC001573325955 947364447 /nfs/dbraw/zinc/36/44/47/947364447.db2.gz IYUNXAGTCKMQNM-HUUCEWRRSA-N -1 1 384.444 0.745 20 30 GCEDMM C=CCC1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)CCC1 ZINC001573326068 947367033 /nfs/dbraw/zinc/36/70/33/947367033.db2.gz JWECNXYUVJUNQD-GXTWGEPZSA-N -1 1 384.444 0.459 20 30 GCEDMM C=CCC1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)CCC1 ZINC001573326068 947367046 /nfs/dbraw/zinc/36/70/46/947367046.db2.gz JWECNXYUVJUNQD-GXTWGEPZSA-N -1 1 384.444 0.459 20 30 GCEDMM C=CCC(CC=C)C(=O)N[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@H]1O ZINC001573326153 947367548 /nfs/dbraw/zinc/36/75/48/947367548.db2.gz MHQCKIRTMCCTAD-HUUCEWRRSA-N -1 1 398.471 0.653 20 30 GCEDMM C=CCC(CC=C)C(=O)N[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@H]1O ZINC001573326153 947367556 /nfs/dbraw/zinc/36/75/56/947367556.db2.gz MHQCKIRTMCCTAD-HUUCEWRRSA-N -1 1 398.471 0.653 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)CCOCC1 ZINC001573330581 947435066 /nfs/dbraw/zinc/43/50/66/947435066.db2.gz ZFBRBRBAPQLPKP-UKRRQHHQSA-N -1 1 398.471 0.971 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)CCOCC1 ZINC001573330581 947435071 /nfs/dbraw/zinc/43/50/71/947435071.db2.gz ZFBRBRBAPQLPKP-UKRRQHHQSA-N -1 1 398.471 0.971 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573335600 947482586 /nfs/dbraw/zinc/48/25/86/947482586.db2.gz BAVCOMNMWLHOGT-MCIONIFRSA-N -1 1 384.444 0.818 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573335600 947482594 /nfs/dbraw/zinc/48/25/94/947482594.db2.gz BAVCOMNMWLHOGT-MCIONIFRSA-N -1 1 384.444 0.818 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573335914 947493327 /nfs/dbraw/zinc/49/33/27/947493327.db2.gz FWMXDWZHBCTZRK-XDQVBPFNSA-N -1 1 384.444 0.436 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573335914 947493331 /nfs/dbraw/zinc/49/33/31/947493331.db2.gz FWMXDWZHBCTZRK-XDQVBPFNSA-N -1 1 384.444 0.436 20 30 GCEDMM C=CCOCC(=O)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C1 ZINC001573342752 947543859 /nfs/dbraw/zinc/54/38/59/947543859.db2.gz BZUBSJAGKOPLRX-BFHYXJOUSA-N -1 1 384.444 0.898 20 30 GCEDMM C=CCOCC(=O)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C1 ZINC001573342752 947543865 /nfs/dbraw/zinc/54/38/65/947543865.db2.gz BZUBSJAGKOPLRX-BFHYXJOUSA-N -1 1 384.444 0.898 20 30 GCEDMM C=CCOCC(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573344022 947567526 /nfs/dbraw/zinc/56/75/26/947567526.db2.gz WMBREEACIGSJIW-ZDUSSCGKSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCOCC(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573344022 947567536 /nfs/dbraw/zinc/56/75/36/947567536.db2.gz WMBREEACIGSJIW-ZDUSSCGKSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCn1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)nn1 ZINC001573347088 947572016 /nfs/dbraw/zinc/57/20/16/947572016.db2.gz AFVBQQBCTOCLBJ-MNOVXSKESA-N -1 1 381.404 0.149 20 30 GCEDMM C=CCn1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)nn1 ZINC001573347088 947572027 /nfs/dbraw/zinc/57/20/27/947572027.db2.gz AFVBQQBCTOCLBJ-MNOVXSKESA-N -1 1 381.404 0.149 20 30 GCEDMM C=CCn1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)nn1 ZINC001573347086 947572229 /nfs/dbraw/zinc/57/22/29/947572229.db2.gz AFVBQQBCTOCLBJ-GHMZBOCLSA-N -1 1 381.404 0.149 20 30 GCEDMM C=CCn1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)nn1 ZINC001573347086 947572234 /nfs/dbraw/zinc/57/22/34/947572234.db2.gz AFVBQQBCTOCLBJ-GHMZBOCLSA-N -1 1 381.404 0.149 20 30 GCEDMM C=CCOCCCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573347940 947578847 /nfs/dbraw/zinc/57/88/47/947578847.db2.gz JZEXNTAOBJDHPA-ZIAGYGMSSA-N -1 1 386.460 0.901 20 30 GCEDMM C=CCOCCCC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573348320 947581079 /nfs/dbraw/zinc/58/10/79/947581079.db2.gz PILJUSDUOQGIJJ-AWEZNQCLSA-N -1 1 386.460 0.854 20 30 GCEDMM C=CCOCCCC(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573348330 947583656 /nfs/dbraw/zinc/58/36/56/947583656.db2.gz PQMIJTUKPROEAI-CQSZACIVSA-N -1 1 386.460 0.972 20 30 GCEDMM C=CCOCCCC(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573348330 947583664 /nfs/dbraw/zinc/58/36/64/947583664.db2.gz PQMIJTUKPROEAI-CQSZACIVSA-N -1 1 386.460 0.972 20 30 GCEDMM C=CCOCCCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573348575 947587341 /nfs/dbraw/zinc/58/73/41/947587341.db2.gz SAMRRCPULLSIIP-KUHUBIRLSA-N -1 1 398.471 0.924 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573350242 947590749 /nfs/dbraw/zinc/59/07/49/947590749.db2.gz ALNUZBDJSHNQHZ-YJNKXOJESA-N -1 1 396.455 0.675 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573350242 947590761 /nfs/dbraw/zinc/59/07/61/947590761.db2.gz ALNUZBDJSHNQHZ-YJNKXOJESA-N -1 1 396.455 0.675 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573350244 947591378 /nfs/dbraw/zinc/59/13/78/947591378.db2.gz ALUYIGSMJBGUFE-MCIONIFRSA-N -1 1 384.444 0.533 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573350329 947594701 /nfs/dbraw/zinc/59/47/01/947594701.db2.gz CZUUEFWDUSSOPP-RQJABVFESA-N -1 1 382.428 0.427 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573350329 947594703 /nfs/dbraw/zinc/59/47/03/947594703.db2.gz CZUUEFWDUSSOPP-RQJABVFESA-N -1 1 382.428 0.427 20 30 GCEDMM COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)c1 ZINC000826210941 947616255 /nfs/dbraw/zinc/61/62/55/947616255.db2.gz KJHWDWHMEZDBNJ-SNVBAGLBSA-N -1 1 382.384 0.829 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573352168 947627821 /nfs/dbraw/zinc/62/78/21/947627821.db2.gz XAPDNPBDLRUQTG-KGLIPLIRSA-N -1 1 384.444 0.580 20 30 GCEDMM N#Cc1ncn(CC(=O)Nc2ccc(N3CCOCC3)cc2)c1-c1nn[n-]n1 ZINC000826387945 948192346 /nfs/dbraw/zinc/19/23/46/948192346.db2.gz ARUOTKAUDRIBSJ-UHFFFAOYSA-N -1 1 379.384 0.410 20 30 GCEDMM N#Cc1cnn(-c2ccccc2)c1NC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000826387769 948192530 /nfs/dbraw/zinc/19/25/30/948192530.db2.gz QAEIRQYBWHQTMM-UHFFFAOYSA-N -1 1 385.351 0.631 20 30 GCEDMM N#Cc1ncn(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1-c1nn[n-]n1 ZINC000826388321 948194509 /nfs/dbraw/zinc/19/45/09/948194509.db2.gz RRWJELNTPRIGPP-UHFFFAOYSA-N -1 1 395.774 0.808 20 30 GCEDMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001575510963 949124531 /nfs/dbraw/zinc/12/45/31/949124531.db2.gz INXGRWUKPQSZJY-VIFPVBQESA-N -1 1 385.413 0.373 20 30 GCEDMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001575514041 949160299 /nfs/dbraw/zinc/16/02/99/949160299.db2.gz UYWJLQNFAHNWEV-VIFPVBQESA-N -1 1 385.413 0.373 20 30 GCEDMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001575514041 949160310 /nfs/dbraw/zinc/16/03/10/949160310.db2.gz UYWJLQNFAHNWEV-VIFPVBQESA-N -1 1 385.413 0.373 20 30 GCEDMM C[C@H]1CCCN(C(=O)CSCC#N)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171554 949770512 /nfs/dbraw/zinc/77/05/12/949770512.db2.gz RTKYOXYQLXJRDV-AAEUAGOBSA-N -1 1 387.473 0.952 20 30 GCEDMM C[C@H]1CCCN(C(=O)CSCC#N)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171554 949770517 /nfs/dbraw/zinc/77/05/17/949770517.db2.gz RTKYOXYQLXJRDV-AAEUAGOBSA-N -1 1 387.473 0.952 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575884271 949844578 /nfs/dbraw/zinc/84/45/78/949844578.db2.gz IEWVDUWTRXGGFD-JQWIXIFHSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575884271 949844603 /nfs/dbraw/zinc/84/46/03/949844603.db2.gz IEWVDUWTRXGGFD-JQWIXIFHSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575891735 950027473 /nfs/dbraw/zinc/02/74/73/950027473.db2.gz NGLROHNVDMPJJX-PWSUYJOCSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891735 950027494 /nfs/dbraw/zinc/02/74/94/950027494.db2.gz NGLROHNVDMPJJX-PWSUYJOCSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191779 950207843 /nfs/dbraw/zinc/20/78/43/950207843.db2.gz KEJPRNIXHMIEOB-WCQYABFASA-N -1 1 392.427 0.489 20 30 GCEDMM CC(C)(C)NS(=O)(=O)C1(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001573849869 950262648 /nfs/dbraw/zinc/26/26/48/950262648.db2.gz DHKRUSKXCMYYHC-UHFFFAOYSA-N -1 1 377.434 0.191 20 30 GCEDMM C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192778 950268850 /nfs/dbraw/zinc/26/88/50/950268850.db2.gz QYGHLTVMYFMZKR-RYUDHWBXSA-N -1 1 392.427 0.489 20 30 GCEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192776 950269160 /nfs/dbraw/zinc/26/91/60/950269160.db2.gz QYGHLTVMYFMZKR-NEPJUHHUSA-N -1 1 392.427 0.489 20 30 GCEDMM CC(C)(C)NS(=O)(=O)C1(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)CCC1 ZINC001573851085 950285624 /nfs/dbraw/zinc/28/56/24/950285624.db2.gz QWQOFDIEAMONCE-UHFFFAOYSA-N -1 1 391.461 0.581 20 30 GCEDMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574159672 950312198 /nfs/dbraw/zinc/31/21/98/950312198.db2.gz XTYBHODGZIRMOD-LBPRGKRZSA-N -1 1 380.416 0.535 20 30 GCEDMM CC(C)(C)OC(=O)N1CCO[C@@H](CNc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573857038 950400508 /nfs/dbraw/zinc/40/05/08/950400508.db2.gz LIUIIUOZQCJMMN-JTQLQIEISA-N -1 1 387.404 0.576 20 30 GCEDMM CCOC(=O)CON=C(C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccn[nH]1 ZINC001590648436 950963317 /nfs/dbraw/zinc/96/33/17/950963317.db2.gz 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952582030 /nfs/dbraw/zinc/58/20/30/952582030.db2.gz ULSXOUGWKZSZGL-UHFFFAOYSA-N -1 1 378.278 0.872 20 30 GCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571135708 952608266 /nfs/dbraw/zinc/60/82/66/952608266.db2.gz BMHFBJCZRQDWFA-CMPLNLGQSA-N -1 1 378.400 0.819 20 30 GCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571135708 952608269 /nfs/dbraw/zinc/60/82/69/952608269.db2.gz BMHFBJCZRQDWFA-CMPLNLGQSA-N -1 1 378.400 0.819 20 30 GCEDMM N#Cc1cc(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)c[nH]1 ZINC001571135846 952608951 /nfs/dbraw/zinc/60/89/51/952608951.db2.gz GBEJBGRIAHTXJO-CYBMUJFWSA-N -1 1 378.400 0.963 20 30 GCEDMM N#Cc1cc(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)c[nH]1 ZINC001571135846 952608954 /nfs/dbraw/zinc/60/89/54/952608954.db2.gz GBEJBGRIAHTXJO-CYBMUJFWSA-N -1 1 378.400 0.963 20 30 GCEDMM N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571135983 952611397 /nfs/dbraw/zinc/61/13/97/952611397.db2.gz 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/nfs/dbraw/zinc/36/14/38/641361438.db2.gz MNEZBMWGEHZLSG-UHFFFAOYSA-N -1 1 375.252 0.829 20 30 GCEDMM C#CC[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC ZINC000841539323 642308002 /nfs/dbraw/zinc/30/80/02/642308002.db2.gz BPQBSZRLUOZVCU-AWEZNQCLSA-N -1 1 384.841 0.649 20 30 GCEDMM C#CC[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)OC ZINC000841539924 642308338 /nfs/dbraw/zinc/30/83/38/642308338.db2.gz HGLFIYIOCGAPBY-LLVKDONJSA-N -1 1 378.403 0.040 20 30 GCEDMM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(Cl)n2)C1 ZINC000848959820 642578519 /nfs/dbraw/zinc/57/85/19/642578519.db2.gz RUXAABYHPUEWIG-UHFFFAOYSA-N -1 1 378.863 0.652 20 30 GCEDMM C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000848960010 642579354 /nfs/dbraw/zinc/57/93/54/642579354.db2.gz YKSSHQKXLYXVLG-NSHDSACASA-N -1 1 378.451 0.916 20 30 GCEDMM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(OC)ccn1 ZINC000848961362 642585552 /nfs/dbraw/zinc/58/55/52/642585552.db2.gz VVONHAUAQIQOOO-GFCCVEGCSA-N -1 1 375.472 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CCOC(=O)C(C#N)[N-]S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001185779351 1205928942 /nfs/dbraw/zinc/92/89/42/1205928942.db2.gz AWHLSNQAKFSSPW-GFCCVEGCSA-N -1 1 375.447 0.761 20 30 GCEDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCNC(=O)C1N=CC=CC1=O ZINC001186641710 1205944663 /nfs/dbraw/zinc/94/46/63/1205944663.db2.gz CPCFQDHWZRSXDJ-GBJNBNQZSA-N -1 1 378.476 0.244 20 30 GCEDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCNC(=O)C1N=CC=CC1=O ZINC001186641711 1205944821 /nfs/dbraw/zinc/94/48/21/1205944821.db2.gz CPCFQDHWZRSXDJ-HRBBJJPOSA-N -1 1 378.476 0.244 20 30 GCEDMM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001189536948 1206011246 /nfs/dbraw/zinc/01/12/46/1206011246.db2.gz SRJPTFPYVOYMLZ-MRVPVSSYSA-N -1 1 392.296 0.585 20 30 GCEDMM CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001571294245 946129998 /nfs/dbraw/zinc/12/99/98/946129998.db2.gz CHTRKWQVNUXOBJ-UHFFFAOYSA-N -1 1 390.360 0.646 20 30 GCEDMM C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 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/nfs/dbraw/zinc/50/61/22/946506122.db2.gz LNJGTOARUSVHLJ-SWLSCSKDSA-N -1 1 392.427 0.952 20 30 GCEDMM Cn1cc([C@H]2CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC23CCOCC3)cn1 ZINC001571313095 946511346 /nfs/dbraw/zinc/51/13/46/946511346.db2.gz NNEHEOKZOJOLBC-CYBMUJFWSA-N -1 1 392.427 0.662 20 30 GCEDMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001571313429 946523534 /nfs/dbraw/zinc/52/35/34/946523534.db2.gz QWKRAKWCBMVGBA-UHFFFAOYSA-N -1 1 392.427 0.775 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)n1 ZINC001571313655 946527833 /nfs/dbraw/zinc/52/78/33/946527833.db2.gz VIAGMTKUGFDCPL-NWDGAFQWSA-N -1 1 392.427 0.952 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)n1 ZINC001571313655 946527838 /nfs/dbraw/zinc/52/78/38/946527838.db2.gz VIAGMTKUGFDCPL-NWDGAFQWSA-N -1 1 392.427 0.952 20 30 GCEDMM CC(C)NC(=O)c1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000824305617 946648918 /nfs/dbraw/zinc/64/89/18/946648918.db2.gz RHGXYQNJHSMYLT-UHFFFAOYSA-N -1 1 379.384 0.712 20 30 GCEDMM C#CCN(C(=O)[C@H](CC)OC)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573281592 946677465 /nfs/dbraw/zinc/67/74/65/946677465.db2.gz ACNJPYCZYDRFJF-AWEZNQCLSA-N -1 1 384.444 0.512 20 30 GCEDMM C#CCN(C(=O)[C@H](CC)OC)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573281592 946677472 /nfs/dbraw/zinc/67/74/72/946677472.db2.gz ACNJPYCZYDRFJF-AWEZNQCLSA-N -1 1 384.444 0.512 20 30 GCEDMM C#CCCCCCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001573281714 946679432 /nfs/dbraw/zinc/67/94/32/946679432.db2.gz AQDKJXBYHJAZAH-AWEZNQCLSA-N -1 1 384.444 0.562 20 30 GCEDMM C#CCCCCCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001573281714 946679441 /nfs/dbraw/zinc/67/94/41/946679441.db2.gz AQDKJXBYHJAZAH-AWEZNQCLSA-N -1 1 384.444 0.562 20 30 GCEDMM C#CCCCCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001573281998 946683255 /nfs/dbraw/zinc/68/32/55/946683255.db2.gz DISAUCPXOFACHO-SFHVURJKSA-N -1 1 384.444 0.562 20 30 GCEDMM C#CCCCCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001573281998 946683269 /nfs/dbraw/zinc/68/32/69/946683269.db2.gz DISAUCPXOFACHO-SFHVURJKSA-N -1 1 384.444 0.562 20 30 GCEDMM C#CCN(C(=O)c1cccnn1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573282126 946686489 /nfs/dbraw/zinc/68/64/89/946686489.db2.gz FVQRNEXHSNBPBP-UHFFFAOYSA-N -1 1 390.411 0.191 20 30 GCEDMM C#CCN(C(=O)c1cccnn1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573282126 946686492 /nfs/dbraw/zinc/68/64/92/946686492.db2.gz FVQRNEXHSNBPBP-UHFFFAOYSA-N -1 1 390.411 0.191 20 30 GCEDMM C#CCCCCC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1 ZINC001573282507 946693431 /nfs/dbraw/zinc/69/34/31/946693431.db2.gz LEECJGKDHBWCHO-CQSZACIVSA-N -1 1 384.444 0.562 20 30 GCEDMM C#CCCCCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1 ZINC001573282507 946693436 /nfs/dbraw/zinc/69/34/36/946693436.db2.gz LEECJGKDHBWCHO-CQSZACIVSA-N -1 1 384.444 0.562 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1CCC(N(C)c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573285248 946774201 /nfs/dbraw/zinc/77/42/01/946774201.db2.gz FZSFITASYZGJTO-ZDUSSCGKSA-N -1 1 384.444 0.431 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1CCC(N(C)c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573285248 946774209 /nfs/dbraw/zinc/77/42/09/946774209.db2.gz FZSFITASYZGJTO-ZDUSSCGKSA-N -1 1 384.444 0.431 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573285514 946779870 /nfs/dbraw/zinc/77/98/70/946779870.db2.gz IOULASWDVSPUAY-DTWKUNHWSA-N -1 1 383.865 0.956 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573285514 946779879 /nfs/dbraw/zinc/77/98/79/946779879.db2.gz IOULASWDVSPUAY-DTWKUNHWSA-N -1 1 383.865 0.956 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573285517 946780368 /nfs/dbraw/zinc/78/03/68/946780368.db2.gz IOULASWDVSPUAY-IUCAKERBSA-N -1 1 383.865 0.956 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573285517 946780375 /nfs/dbraw/zinc/78/03/75/946780375.db2.gz IOULASWDVSPUAY-IUCAKERBSA-N -1 1 383.865 0.956 20 30 GCEDMM C#CCOCCC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573286410 946805985 /nfs/dbraw/zinc/80/59/85/946805985.db2.gz AVZKBBDPYOGSFJ-UONOGXRCSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCOCCC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573286410 946805993 /nfs/dbraw/zinc/80/59/93/946805993.db2.gz AVZKBBDPYOGSFJ-UONOGXRCSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCOCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573286528 946810904 /nfs/dbraw/zinc/81/09/04/946810904.db2.gz DBCMTYCBTCVJSH-IHRRRGAJSA-N -1 1 382.428 0.170 20 30 GCEDMM C#CCOCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573286528 946810914 /nfs/dbraw/zinc/81/09/14/946810914.db2.gz DBCMTYCBTCVJSH-IHRRRGAJSA-N -1 1 382.428 0.170 20 30 GCEDMM C#CCOCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573286677 946814903 /nfs/dbraw/zinc/81/49/03/946814903.db2.gz HKZUCTXWUTTYPG-AGUYFDCRSA-N -1 1 382.428 0.313 20 30 GCEDMM C#CCOCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573286677 946814919 /nfs/dbraw/zinc/81/49/19/946814919.db2.gz HKZUCTXWUTTYPG-AGUYFDCRSA-N -1 1 382.428 0.313 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)cc1 ZINC001573286791 946820486 /nfs/dbraw/zinc/82/04/86/946820486.db2.gz BFGWXQCZEXNKQP-HNNXBMFYSA-N -1 1 390.407 0.273 20 30 GCEDMM C#CCOCCC(=O)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573287012 946824076 /nfs/dbraw/zinc/82/40/76/946824076.db2.gz KJTSNEZDMALBPE-AWEZNQCLSA-N -1 1 384.444 0.880 20 30 GCEDMM C#CCOCCC(=O)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573287012 946824080 /nfs/dbraw/zinc/82/40/80/946824080.db2.gz KJTSNEZDMALBPE-AWEZNQCLSA-N -1 1 384.444 0.880 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)nc1 ZINC001573287673 946843876 /nfs/dbraw/zinc/84/38/76/946843876.db2.gz KCMBNSMAJSVTGS-OKILXGFUSA-N -1 1 387.407 0.241 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)nc1 ZINC001573287673 946843884 /nfs/dbraw/zinc/84/38/84/946843884.db2.gz KCMBNSMAJSVTGS-OKILXGFUSA-N -1 1 387.407 0.241 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)cn1 ZINC001573287770 946846550 /nfs/dbraw/zinc/84/65/50/946846550.db2.gz KWEQJGHZUAKPHW-SWLSCSKDSA-N -1 1 389.423 0.820 20 30 GCEDMM C#CCOCCC(=O)NCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573287724 946847785 /nfs/dbraw/zinc/84/77/85/946847785.db2.gz DYVDFKFQAWGUQN-UHFFFAOYSA-N -1 1 392.423 0.925 20 30 GCEDMM C#CCOCCC(=O)NCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573287724 946847798 /nfs/dbraw/zinc/84/77/98/946847798.db2.gz DYVDFKFQAWGUQN-UHFFFAOYSA-N -1 1 392.423 0.925 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)nc1 ZINC001573287839 946848386 /nfs/dbraw/zinc/84/83/86/946848386.db2.gz FYIURQXDXDGNPP-AWEZNQCLSA-N -1 1 389.423 0.916 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)nc1 ZINC001573287839 946848401 /nfs/dbraw/zinc/84/84/01/946848401.db2.gz FYIURQXDXDGNPP-AWEZNQCLSA-N -1 1 389.423 0.916 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)nc1 ZINC001573288130 946858310 /nfs/dbraw/zinc/85/83/10/946858310.db2.gz OIEMEOKTGCHGEI-AWEZNQCLSA-N -1 1 375.396 0.075 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573288340 946865132 /nfs/dbraw/zinc/86/51/32/946865132.db2.gz UNCPQGLHNJJGLW-ZIAGYGMSSA-N -1 1 384.444 0.015 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001573288580 946870861 /nfs/dbraw/zinc/87/08/61/946870861.db2.gz RYJHFPDGLJORTE-ZDUSSCGKSA-N -1 1 375.396 0.750 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001573288580 946870878 /nfs/dbraw/zinc/87/08/78/946870878.db2.gz RYJHFPDGLJORTE-ZDUSSCGKSA-N -1 1 375.396 0.750 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573288834 946880016 /nfs/dbraw/zinc/88/00/16/946880016.db2.gz YUABHJMFFCBYGY-IUCAKERBSA-N -1 1 383.865 0.956 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573288834 946880031 /nfs/dbraw/zinc/88/00/31/946880031.db2.gz YUABHJMFFCBYGY-IUCAKERBSA-N -1 1 383.865 0.956 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)nc1 ZINC001573288846 946880740 /nfs/dbraw/zinc/88/07/40/946880740.db2.gz UPPUAMYGUVRQKZ-UHFFFAOYSA-N -1 1 380.437 0.970 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573289164 946883915 /nfs/dbraw/zinc/88/39/15/946883915.db2.gz WWKYOWLDNFCBSK-CQSZACIVSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573289164 946883927 /nfs/dbraw/zinc/88/39/27/946883927.db2.gz WWKYOWLDNFCBSK-CQSZACIVSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)cn1 ZINC001573289394 946884389 /nfs/dbraw/zinc/88/43/89/946884389.db2.gz YSCZBVJKUUSCDW-WFASDCNBSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)cn1 ZINC001573289394 946884399 /nfs/dbraw/zinc/88/43/99/946884399.db2.gz YSCZBVJKUUSCDW-WFASDCNBSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)cn1 ZINC001573289389 946885360 /nfs/dbraw/zinc/88/53/60/946885360.db2.gz YSCZBVJKUUSCDW-IUODEOHRSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)cn1 ZINC001573289389 946885370 /nfs/dbraw/zinc/88/53/70/946885370.db2.gz YSCZBVJKUUSCDW-IUODEOHRSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)nc1 ZINC001573289521 946886640 /nfs/dbraw/zinc/88/66/40/946886640.db2.gz ZWAFDRSEKXNKGZ-GXTWGEPZSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)nc1 ZINC001573289521 946886648 /nfs/dbraw/zinc/88/66/48/946886648.db2.gz ZWAFDRSEKXNKGZ-GXTWGEPZSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)cn1 ZINC001573289387 946886789 /nfs/dbraw/zinc/88/67/89/946886789.db2.gz YSCZBVJKUUSCDW-DOMZBBRYSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)cn1 ZINC001573289387 946886799 /nfs/dbraw/zinc/88/67/99/946886799.db2.gz YSCZBVJKUUSCDW-DOMZBBRYSA-N -1 1 389.423 0.996 20 30 GCEDMM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 ZINC001602688897 971293122 /nfs/dbraw/zinc/29/31/22/971293122.db2.gz YMUNBMPTTLIHQU-UHFFFAOYSA-N -1 1 389.393 0.829 20 30 GCEDMM C#CCOc1ccc(C(=O)N[C@@H](C)CN(C)c2nccnc2-c2nnn[n-]2)cc1 ZINC001573289891 946895463 /nfs/dbraw/zinc/89/54/63/946895463.db2.gz QMMWINGAVXUMIJ-ZDUSSCGKSA-N -1 1 392.423 0.923 20 30 GCEDMM C#CCOc1ccc(C(=O)N[C@@H](C)CN(C)c2nccnc2-c2nn[n-]n2)cc1 ZINC001573289891 946895474 /nfs/dbraw/zinc/89/54/74/946895474.db2.gz QMMWINGAVXUMIJ-ZDUSSCGKSA-N -1 1 392.423 0.923 20 30 GCEDMM C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001573290713 946911098 /nfs/dbraw/zinc/91/10/98/946911098.db2.gz OGRSORRRDHOATK-UHFFFAOYSA-N -1 1 388.434 0.827 20 30 GCEDMM C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573561465 946963932 /nfs/dbraw/zinc/96/39/32/946963932.db2.gz LBXXSVYIIXSOQI-JGVFFNPUSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573561465 946963941 /nfs/dbraw/zinc/96/39/41/946963941.db2.gz LBXXSVYIIXSOQI-JGVFFNPUSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573561462 946964035 /nfs/dbraw/zinc/96/40/35/946964035.db2.gz LBXXSVYIIXSOQI-HTQZYQBOSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573561462 946964046 /nfs/dbraw/zinc/96/40/46/946964046.db2.gz LBXXSVYIIXSOQI-HTQZYQBOSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573561729 946966825 /nfs/dbraw/zinc/96/68/25/946966825.db2.gz MNAHWALVNBPVCV-HTQZYQBOSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573561729 946966835 /nfs/dbraw/zinc/96/68/35/946966835.db2.gz MNAHWALVNBPVCV-HTQZYQBOSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573565184 947003050 /nfs/dbraw/zinc/00/30/50/947003050.db2.gz OINCCWAETUOHRZ-GXTWGEPZSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573565184 947003065 /nfs/dbraw/zinc/00/30/65/947003065.db2.gz OINCCWAETUOHRZ-GXTWGEPZSA-N -1 1 381.444 0.881 20 30 GCEDMM C=C1CC(C)(C(=O)NC[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)CCO2)C1 ZINC001573296752 947054882 /nfs/dbraw/zinc/05/48/82/947054882.db2.gz ZSDULYUHFOEPCG-CYBMUJFWSA-N -1 1 384.444 0.643 20 30 GCEDMM C=C1CC(C)(C(=O)NC[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)CCO2)C1 ZINC001573296752 947054891 /nfs/dbraw/zinc/05/48/91/947054891.db2.gz ZSDULYUHFOEPCG-CYBMUJFWSA-N -1 1 384.444 0.643 20 30 GCEDMM C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573569615 947073815 /nfs/dbraw/zinc/07/38/15/947073815.db2.gz CJEMHDNXJDETAM-QXFUBDJGSA-N -1 1 381.322 0.618 20 30 GCEDMM C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573569615 947073827 /nfs/dbraw/zinc/07/38/27/947073827.db2.gz CJEMHDNXJDETAM-QXFUBDJGSA-N -1 1 381.322 0.618 20 30 GCEDMM C=C1CC(C)(C(=O)N2CCO[C@@H]([C@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573298354 947073883 /nfs/dbraw/zinc/07/38/83/947073883.db2.gz OSPUVGXRJMYBIR-QWHCGFSZSA-N -1 1 384.444 0.463 20 30 GCEDMM C=C1CC(C)(C(=O)N2CCO[C@H]([C@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573298360 947074167 /nfs/dbraw/zinc/07/41/67/947074167.db2.gz OSPUVGXRJMYBIR-STQMWFEESA-N -1 1 384.444 0.463 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573569900 947077991 /nfs/dbraw/zinc/07/79/91/947077991.db2.gz HDGXEZMHDKLLSP-JGVFFNPUSA-N -1 1 382.837 0.776 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573569900 947078000 /nfs/dbraw/zinc/07/80/00/947078000.db2.gz HDGXEZMHDKLLSP-JGVFFNPUSA-N -1 1 382.837 0.776 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001573298764 947083926 /nfs/dbraw/zinc/08/39/26/947083926.db2.gz GNPXVNKGNULICH-XBFCOCLRSA-N -1 1 399.459 0.211 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001573298764 947083939 /nfs/dbraw/zinc/08/39/39/947083939.db2.gz GNPXVNKGNULICH-XBFCOCLRSA-N -1 1 399.459 0.211 20 30 GCEDMM C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573570644 947092033 /nfs/dbraw/zinc/09/20/33/947092033.db2.gz ROHKDAAGPFMWGM-QXFUBDJGSA-N -1 1 381.322 0.618 20 30 GCEDMM C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573570644 947092045 /nfs/dbraw/zinc/09/20/45/947092045.db2.gz ROHKDAAGPFMWGM-QXFUBDJGSA-N -1 1 381.322 0.618 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573570791 947093560 /nfs/dbraw/zinc/09/35/60/947093560.db2.gz UFOQYQRJUYZRQU-JGVFFNPUSA-N -1 1 382.837 0.776 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573301172 947132352 /nfs/dbraw/zinc/13/23/52/947132352.db2.gz ZXWBJLKAKCONJY-JSGCOSHPSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573301172 947132360 /nfs/dbraw/zinc/13/23/60/947132360.db2.gz ZXWBJLKAKCONJY-JSGCOSHPSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001573307147 947178147 /nfs/dbraw/zinc/17/81/47/947178147.db2.gz PJVHIUBKOWGIEU-UGSOOPFHSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001573307147 947178153 /nfs/dbraw/zinc/17/81/53/947178153.db2.gz PJVHIUBKOWGIEU-UGSOOPFHSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573309228 947193335 /nfs/dbraw/zinc/19/33/35/947193335.db2.gz FJNUSPKNJDLMTF-BVRBVLIYSA-N -1 1 386.460 0.805 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573309228 947193341 /nfs/dbraw/zinc/19/33/41/947193341.db2.gz FJNUSPKNJDLMTF-BVRBVLIYSA-N -1 1 386.460 0.805 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573309405 947198754 /nfs/dbraw/zinc/19/87/54/947198754.db2.gz IMWVYJMQFWVHPT-OCBCSQNSSA-N -1 1 384.444 0.269 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573582920 947198910 /nfs/dbraw/zinc/19/89/10/947198910.db2.gz HWTVGHNSNBZNTP-SWLSCSKDSA-N -1 1 389.423 0.864 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573309665 947206186 /nfs/dbraw/zinc/20/61/86/947206186.db2.gz MQPAFSHKDQKUMA-ACJLOTCBSA-N -1 1 386.460 0.943 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573309665 947206197 /nfs/dbraw/zinc/20/61/97/947206197.db2.gz MQPAFSHKDQKUMA-ACJLOTCBSA-N -1 1 386.460 0.943 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573583662 947206319 /nfs/dbraw/zinc/20/63/19/947206319.db2.gz NRGZSZBNNMTFLI-SFYZADRCSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573583662 947206324 /nfs/dbraw/zinc/20/63/24/947206324.db2.gz NRGZSZBNNMTFLI-SFYZADRCSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NCC[C@H](Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573583691 947207139 /nfs/dbraw/zinc/20/71/39/947207139.db2.gz NYCVWDVRMTZSOW-UKRRQHHQSA-N -1 1 391.439 0.768 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001573584258 947216312 /nfs/dbraw/zinc/21/63/12/947216312.db2.gz RYXMVWGZYMDDCI-UWVGGRQHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001573584258 947216324 /nfs/dbraw/zinc/21/63/24/947216324.db2.gz RYXMVWGZYMDDCI-UWVGGRQHSA-N -1 1 377.359 0.394 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)[C@@H]1C ZINC001573310179 947217895 /nfs/dbraw/zinc/21/78/95/947217895.db2.gz UKYFQRHDNFWPQU-FTLABTOESA-N -1 1 386.460 0.630 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)[C@@H]1C ZINC001573310179 947217902 /nfs/dbraw/zinc/21/79/02/947217902.db2.gz UKYFQRHDNFWPQU-FTLABTOESA-N -1 1 386.460 0.630 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573584484 947224085 /nfs/dbraw/zinc/22/40/85/947224085.db2.gz WUJKLUPYYDCKBZ-IUODEOHRSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573584484 947224098 /nfs/dbraw/zinc/22/40/98/947224098.db2.gz WUJKLUPYYDCKBZ-IUODEOHRSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573584546 947228499 /nfs/dbraw/zinc/22/84/99/947228499.db2.gz XXNVPGZWAWMGDB-JGVFFNPUSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1c1ccccc1 ZINC001573586047 947273647 /nfs/dbraw/zinc/27/36/47/947273647.db2.gz YFIDGUNRXKXSJQ-IVMMDQJWSA-N -1 1 389.423 0.905 20 30 GCEDMM C[C@H](C#N)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1c1ccccc1 ZINC001573586047 947273662 /nfs/dbraw/zinc/27/36/62/947273662.db2.gz YFIDGUNRXKXSJQ-IVMMDQJWSA-N -1 1 389.423 0.905 20 30 GCEDMM CCc1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1S(C)(=O)=O ZINC000825704393 947295336 /nfs/dbraw/zinc/29/53/36/947295336.db2.gz GMEBRSWWESJYOQ-UHFFFAOYSA-N -1 1 386.397 0.680 20 30 GCEDMM C=CCCC(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573329722 947425426 /nfs/dbraw/zinc/42/54/26/947425426.db2.gz NTYLULKNSISJJO-AWEZNQCLSA-N -1 1 383.460 0.346 20 30 GCEDMM C=CCCCC(=O)NCCN1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573335772 947488450 /nfs/dbraw/zinc/48/84/50/947488450.db2.gz UOKMSROZEGARGK-UHFFFAOYSA-N -1 1 385.476 0.560 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573335882 947491927 /nfs/dbraw/zinc/49/19/27/947491927.db2.gz FNYLJRZXKMYNEV-STQMWFEESA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573335882 947491935 /nfs/dbraw/zinc/49/19/35/947491935.db2.gz FNYLJRZXKMYNEV-STQMWFEESA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCCOCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573336579 947508930 /nfs/dbraw/zinc/50/89/30/947508930.db2.gz PDUPDMRKSKFDJD-ACJLOTCBSA-N -1 1 384.444 0.534 20 30 GCEDMM C=CCCOCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573337132 947513224 /nfs/dbraw/zinc/51/32/24/947513224.db2.gz VBKVVGGCCYVHSI-TZMCWYRMSA-N -1 1 388.432 0.277 20 30 GCEDMM C=CCCOCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573337132 947513231 /nfs/dbraw/zinc/51/32/31/947513231.db2.gz VBKVVGGCCYVHSI-TZMCWYRMSA-N -1 1 388.432 0.277 20 30 GCEDMM C=CCCn1cc(C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)nn1 ZINC001573341354 947530986 /nfs/dbraw/zinc/53/09/86/947530986.db2.gz LSKFPXURRXIRFD-LLVKDONJSA-N -1 1 383.420 0.302 20 30 GCEDMM C=CCCn1cc(C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)nn1 ZINC001573341354 947530996 /nfs/dbraw/zinc/53/09/96/947530996.db2.gz LSKFPXURRXIRFD-LLVKDONJSA-N -1 1 383.420 0.302 20 30 GCEDMM C=CCCn1cc(C(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)nn1 ZINC001573342430 947541484 /nfs/dbraw/zinc/54/14/84/947541484.db2.gz YGOISRGRFSNYLX-UHFFFAOYSA-N -1 1 383.420 0.033 20 30 GCEDMM C=CCCn1cc(C(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)nn1 ZINC001573342430 947541490 /nfs/dbraw/zinc/54/14/90/947541490.db2.gz YGOISRGRFSNYLX-UHFFFAOYSA-N -1 1 383.420 0.033 20 30 GCEDMM C=CCOCC(=O)N1C[C@@H](CNc2cc(-c3nnn[n-]3)nc(CC)n2)[C@H](C)C1 ZINC001573342775 947543747 /nfs/dbraw/zinc/54/37/47/947543747.db2.gz CXQPRXMRKHSGPY-CHWSQXEVSA-N -1 1 386.460 0.928 20 30 GCEDMM C=CCOCC(=O)N1C[C@@H](CNc2cc(-c3nn[n-]n3)nc(CC)n2)[C@H](C)C1 ZINC001573342775 947543753 /nfs/dbraw/zinc/54/37/53/947543753.db2.gz CXQPRXMRKHSGPY-CHWSQXEVSA-N -1 1 386.460 0.928 20 30 GCEDMM C=CCOCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573342867 947546584 /nfs/dbraw/zinc/54/65/84/947546584.db2.gz FTLDLQGWANUGMD-ZIAGYGMSSA-N -1 1 386.460 0.710 20 30 GCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001573344159 947570201 /nfs/dbraw/zinc/57/02/01/947570201.db2.gz XMIQSIDUCLFYPY-CYBMUJFWSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001573344159 947570209 /nfs/dbraw/zinc/57/02/09/947570209.db2.gz XMIQSIDUCLFYPY-CYBMUJFWSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCOCCCC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573347595 947573958 /nfs/dbraw/zinc/57/39/58/947573958.db2.gz DNNBVEXYUJDNSO-ZIAGYGMSSA-N -1 1 386.460 0.828 20 30 GCEDMM C=CCOCCCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573347595 947573965 /nfs/dbraw/zinc/57/39/65/947573965.db2.gz DNNBVEXYUJDNSO-ZIAGYGMSSA-N -1 1 386.460 0.828 20 30 GCEDMM C=CCn1cc(C(=O)N(C)[C@H](C)CNc2snc(C)c2-c2nn[n-]n2)nn1 ZINC001573347725 947576416 /nfs/dbraw/zinc/57/64/16/947576416.db2.gz GYIHZKBSCRDBOP-SECBINFHSA-N -1 1 388.461 0.982 20 30 GCEDMM C=CCn1cc(C(=O)N[C@@H](C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001573350283 947595061 /nfs/dbraw/zinc/59/50/61/947595061.db2.gz CFDZUCBFOJPKEB-QWRGUYRKSA-N -1 1 383.420 0.443 20 30 GCEDMM C=CCn1cc(C(=O)N[C@@H](C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001573350283 947595067 /nfs/dbraw/zinc/59/50/67/947595067.db2.gz CFDZUCBFOJPKEB-QWRGUYRKSA-N -1 1 383.420 0.443 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573350472 947597134 /nfs/dbraw/zinc/59/71/34/947597134.db2.gz BZCKTVUTRUSEEY-DGAVXFQQSA-N -1 1 384.444 0.367 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573350667 947601670 /nfs/dbraw/zinc/60/16/70/947601670.db2.gz DBDJMNLESWIISU-SCRDCRAPSA-N -1 1 384.444 0.505 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573350667 947601675 /nfs/dbraw/zinc/60/16/75/947601675.db2.gz DBDJMNLESWIISU-SCRDCRAPSA-N -1 1 384.444 0.505 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001573350786 947603896 /nfs/dbraw/zinc/60/38/96/947603896.db2.gz GQYHPKIOCAUOQB-CXTNEJHOSA-N -1 1 384.444 0.640 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573350786 947603902 /nfs/dbraw/zinc/60/39/02/947603902.db2.gz GQYHPKIOCAUOQB-CXTNEJHOSA-N -1 1 384.444 0.640 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573351322 947612127 /nfs/dbraw/zinc/61/21/27/947612127.db2.gz QPCTVRLQPIAOQL-UHYGZKCKSA-N -1 1 398.471 0.895 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573351322 947612132 /nfs/dbraw/zinc/61/21/32/947612132.db2.gz QPCTVRLQPIAOQL-UHYGZKCKSA-N -1 1 398.471 0.895 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573351653 947617617 /nfs/dbraw/zinc/61/76/17/947617617.db2.gz VJJIDFFQGHLRFD-DGAVXFQQSA-N -1 1 382.428 0.285 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573351653 947617626 /nfs/dbraw/zinc/61/76/26/947617626.db2.gz VJJIDFFQGHLRFD-DGAVXFQQSA-N -1 1 382.428 0.285 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001573351748 947618928 /nfs/dbraw/zinc/61/89/28/947618928.db2.gz QDEAIKYOBLVWQX-MUGBGTHKSA-N -1 1 382.428 0.474 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001573351748 947618932 /nfs/dbraw/zinc/61/89/32/947618932.db2.gz QDEAIKYOBLVWQX-MUGBGTHKSA-N -1 1 382.428 0.474 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573352045 947622586 /nfs/dbraw/zinc/62/25/86/947622586.db2.gz YWRQPXPYHATSAO-MXYBEHONSA-N -1 1 382.428 0.285 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573352045 947622592 /nfs/dbraw/zinc/62/25/92/947622592.db2.gz YWRQPXPYHATSAO-MXYBEHONSA-N -1 1 382.428 0.285 20 30 GCEDMM C[C@H](C(=O)N1CCC(c2ccc(C#N)cn2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573626914 947715323 /nfs/dbraw/zinc/71/53/23/947715323.db2.gz XJGYTXGHKQVHNS-LLVKDONJSA-N -1 1 378.400 0.692 20 30 GCEDMM Cc1cc(C)c(NC(=O)CNC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c(C)c1 ZINC000826263992 947761377 /nfs/dbraw/zinc/76/13/77/947761377.db2.gz YNBUOTLFJKACOY-UHFFFAOYSA-N -1 1 393.411 0.615 20 30 GCEDMM Cc1ccc2c(c1)c(=O)n(C)c1nnc(Cn3cnc(C#N)c3-c3nn[n-]n3)n12 ZINC000826294372 947853943 /nfs/dbraw/zinc/85/39/43/947853943.db2.gz POILXCLJCYINFU-UHFFFAOYSA-N -1 1 387.367 0.186 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000826382968 948179359 /nfs/dbraw/zinc/17/93/59/948179359.db2.gz CYUWYHFZFHVHPS-UHFFFAOYSA-N -1 1 379.384 0.410 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1nnc(C(=O)NCc2ccccc2)s1 ZINC000826382972 948179873 /nfs/dbraw/zinc/17/98/73/948179873.db2.gz DKBCXLRPNFRFNU-UHFFFAOYSA-N -1 1 392.408 0.765 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000826383183 948182959 /nfs/dbraw/zinc/18/29/59/948182959.db2.gz OFCFTKIFXLWBKQ-UHFFFAOYSA-N -1 1 397.830 0.937 20 30 GCEDMM CC(C)(C)C#CC(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573793081 949280889 /nfs/dbraw/zinc/28/08/89/949280889.db2.gz KJGKRDWHNKFKIW-SFHVURJKSA-N -1 1 384.444 0.472 20 30 GCEDMM CC(C)(C)C#CC(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573793081 949280911 /nfs/dbraw/zinc/28/09/11/949280911.db2.gz KJGKRDWHNKFKIW-SFHVURJKSA-N -1 1 384.444 0.472 20 30 GCEDMM C[C@@]1(C#N)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC001575525926 949357958 /nfs/dbraw/zinc/35/79/58/949357958.db2.gz SZGOKRUEDBASIA-CYBMUJFWSA-N -1 1 379.358 0.078 20 30 GCEDMM C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169083 949663239 /nfs/dbraw/zinc/66/32/39/949663239.db2.gz DYFFNLUKNWOUPI-SMDDNHRTSA-N -1 1 392.427 0.631 20 30 GCEDMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1cccc(C#N)c1 ZINC001575278852 949774555 /nfs/dbraw/zinc/77/45/55/949774555.db2.gz WGPRSTZYTVAYCH-SNVBAGLBSA-N -1 1 380.368 0.268 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575884272 949841927 /nfs/dbraw/zinc/84/19/27/949841927.db2.gz IEWVDUWTRXGGFD-PWSUYJOCSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575884272 949841945 /nfs/dbraw/zinc/84/19/45/949841945.db2.gz IEWVDUWTRXGGFD-PWSUYJOCSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H](NC(=O)CSCC#N)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575283325 949864805 /nfs/dbraw/zinc/86/48/05/949864805.db2.gz OGSQLIJPOCZEGM-VXGBXAGGSA-N -1 1 387.473 0.635 20 30 GCEDMM C[C@H](NC(=O)CSCC#N)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575283323 949865257 /nfs/dbraw/zinc/86/52/57/949865257.db2.gz OGSQLIJPOCZEGM-RYUDHWBXSA-N -1 1 387.473 0.635 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575886584 949886995 /nfs/dbraw/zinc/88/69/95/949886995.db2.gz MYPYRQYKSCLMMF-CMPLNLGQSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575891734 950026983 /nfs/dbraw/zinc/02/69/83/950026983.db2.gz NGLROHNVDMPJJX-JQWIXIFHSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891734 950026994 /nfs/dbraw/zinc/02/69/94/950026994.db2.gz NGLROHNVDMPJJX-JQWIXIFHSA-N -1 1 378.400 0.644 20 30 GCEDMM CC(C)(C)OC(=O)CN1CCC(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001573850252 950269094 /nfs/dbraw/zinc/26/90/94/950269094.db2.gz HUOPTNVDLBXILV-UHFFFAOYSA-N -1 1 385.432 0.746 20 30 GCEDMM CCOC(=O)CON=C(C(=O)N1CCC(CCC(=O)[O-])CC1)c1cc[nH]n1 ZINC001590648200 950956686 /nfs/dbraw/zinc/95/66/86/950956686.db2.gz ASLFQAWAPQFWKG-UHFFFAOYSA-N -1 1 380.401 0.797 20 30 GCEDMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575139814 952141678 /nfs/dbraw/zinc/14/16/78/952141678.db2.gz CHLZTIXVULDPFO-QGZVFWFLSA-N -1 1 378.400 0.289 20 30 GCEDMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575153971 952215097 /nfs/dbraw/zinc/21/50/97/952215097.db2.gz MXSRQPDEBLQIKL-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575153971 952215099 /nfs/dbraw/zinc/21/50/99/952215099.db2.gz MXSRQPDEBLQIKL-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575174773 952380416 /nfs/dbraw/zinc/38/04/16/952380416.db2.gz SNDXBGYRIHGTHE-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575174773 952380424 /nfs/dbraw/zinc/38/04/24/952380424.db2.gz SNDXBGYRIHGTHE-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575174953 952381230 /nfs/dbraw/zinc/38/12/30/952381230.db2.gz UTKSPSVCQJGGMX-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575174953 952381231 /nfs/dbraw/zinc/38/12/31/952381231.db2.gz UTKSPSVCQJGGMX-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM COC(=O)C1(C#N)CCN(C(=O)Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001571120447 952504046 /nfs/dbraw/zinc/50/40/46/952504046.db2.gz NBGZMJZZTBJRJZ-UHFFFAOYSA-N -1 1 376.402 0.942 20 30 GCEDMM COC(=O)C1(C#N)CCN(C(=O)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571120447 952504054 /nfs/dbraw/zinc/50/40/54/952504054.db2.gz NBGZMJZZTBJRJZ-UHFFFAOYSA-N -1 1 376.402 0.942 20 30 GCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571135720 952607776 /nfs/dbraw/zinc/60/77/76/952607776.db2.gz BVGAOZHPFQNQGY-MNOVXSKESA-N -1 1 378.400 0.677 20 30 GCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571135720 952607781 /nfs/dbraw/zinc/60/77/81/952607781.db2.gz BVGAOZHPFQNQGY-MNOVXSKESA-N -1 1 378.400 0.677 20 30 GCEDMM C[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571135760 952608035 /nfs/dbraw/zinc/60/80/35/952608035.db2.gz CSEXZLIXUUEDLS-QGZVFWFLSA-N -1 1 378.400 0.821 20 30 GCEDMM C[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571135760 952608038 /nfs/dbraw/zinc/60/80/38/952608038.db2.gz CSEXZLIXUUEDLS-QGZVFWFLSA-N -1 1 378.400 0.821 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571135833 952609181 /nfs/dbraw/zinc/60/91/81/952609181.db2.gz FSPLYYVMBBEQBF-UHFFFAOYSA-N -1 1 378.400 0.821 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571135833 952609183 /nfs/dbraw/zinc/60/91/83/952609183.db2.gz FSPLYYVMBBEQBF-UHFFFAOYSA-N -1 1 378.400 0.821 20 30 GCEDMM N#Cc1cc(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)c[nH]1 ZINC001571135978 952610967 /nfs/dbraw/zinc/61/09/67/952610967.db2.gz JOZFIVZAYGKFDJ-ZDUSSCGKSA-N -1 1 378.400 0.385 20 30 GCEDMM 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CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C ZINC000820050534 599489648 /nfs/dbraw/zinc/48/96/48/599489648.db2.gz BFBGHTYFDQIZBC-UHFFFAOYSA-N -1 1 384.421 0.338 20 30 GCEDMM CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C ZINC000820050534 599489651 /nfs/dbraw/zinc/48/96/51/599489651.db2.gz BFBGHTYFDQIZBC-UHFFFAOYSA-N -1 1 384.421 0.338 20 30 GCEDMM CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C1CC1 ZINC000820004998 599489695 /nfs/dbraw/zinc/48/96/95/599489695.db2.gz HYVWQUXNJJZPOE-UHFFFAOYSA-N -1 1 396.432 0.746 20 30 GCEDMM CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C1CC1 ZINC000820004998 599489697 /nfs/dbraw/zinc/48/96/97/599489697.db2.gz HYVWQUXNJJZPOE-UHFFFAOYSA-N -1 1 396.432 0.746 20 30 GCEDMM CSCCCn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)o2)sc1=C(C#N)C#N ZINC000821969972 599490289 /nfs/dbraw/zinc/49/02/89/599490289.db2.gz HSIZFMIUYPGDPK-UHFFFAOYSA-N -1 1 399.461 0.463 20 30 GCEDMM CSCCCn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)o2)sc1=C(C#N)C#N ZINC000821969972 599490291 /nfs/dbraw/zinc/49/02/91/599490291.db2.gz HSIZFMIUYPGDPK-UHFFFAOYSA-N -1 1 399.461 0.463 20 30 GCEDMM N#C[C@@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCO1 ZINC000822805759 607451244 /nfs/dbraw/zinc/45/12/44/607451244.db2.gz CEOOEMGALUMDFE-CYBMUJFWSA-N -1 1 379.384 0.215 20 30 GCEDMM N#C[C@@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCO1 ZINC000822805759 607451246 /nfs/dbraw/zinc/45/12/46/607451246.db2.gz CEOOEMGALUMDFE-CYBMUJFWSA-N -1 1 379.384 0.215 20 30 GCEDMM COC(=O)Cn1cc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)nn1 ZINC000821663784 607464906 /nfs/dbraw/zinc/46/49/06/607464906.db2.gz NXPVTLRRUCIKEN-UHFFFAOYSA-N -1 1 388.392 0.753 20 30 GCEDMM C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000630224365 601086353 /nfs/dbraw/zinc/08/63/53/601086353.db2.gz NHPYETTVKVJNOI-CQSZACIVSA-N -1 1 395.481 0.772 20 30 GCEDMM C#CCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000823844627 607597091 /nfs/dbraw/zinc/59/70/91/607597091.db2.gz DQEVFZFGXSGYJW-UHFFFAOYSA-N -1 1 391.413 0.105 20 30 GCEDMM CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)CCCCC(=O)[O-] ZINC000814883455 604984126 /nfs/dbraw/zinc/98/41/26/604984126.db2.gz OGBGVRNLUFAKHR-SNVBAGLBSA-N -1 1 388.446 0.019 20 30 GCEDMM C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC000833364526 605252904 /nfs/dbraw/zinc/25/29/04/605252904.db2.gz UHPDFVXZJZQQTH-AWEZNQCLSA-N -1 1 393.465 0.219 20 30 GCEDMM C[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCN1CCC(=O)[O-] ZINC000833620210 605275474 /nfs/dbraw/zinc/27/54/74/605275474.db2.gz FKRKJLGFSVIRCJ-CYBMUJFWSA-N -1 1 382.424 0.947 20 30 GCEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000822609528 606160268 /nfs/dbraw/zinc/16/02/68/606160268.db2.gz PEADIJLIZZOCEC-UHFFFAOYSA-N -1 1 379.388 0.221 20 30 GCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000822609528 606160270 /nfs/dbraw/zinc/16/02/70/606160270.db2.gz PEADIJLIZZOCEC-UHFFFAOYSA-N -1 1 379.388 0.221 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1 ZINC000819933062 606253929 /nfs/dbraw/zinc/25/39/29/606253929.db2.gz DQWRTINGOZOUPF-HNNXBMFYSA-N -1 1 391.367 0.749 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1 ZINC000819933063 606253940 /nfs/dbraw/zinc/25/39/40/606253940.db2.gz DQWRTINGOZOUPF-OAHLLOKOSA-N -1 1 391.367 0.749 20 30 GCEDMM COC[C@](C)(C#N)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821680583 606775384 /nfs/dbraw/zinc/77/53/84/606775384.db2.gz NOIXJZFKRYOZSW-KRWDZBQOSA-N -1 1 383.416 0.504 20 30 GCEDMM COC[C@](C)(C#N)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821680583 606775386 /nfs/dbraw/zinc/77/53/86/606775386.db2.gz NOIXJZFKRYOZSW-KRWDZBQOSA-N -1 1 383.416 0.504 20 30 GCEDMM C=C(C)CN(CC)C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000819722355 606776881 /nfs/dbraw/zinc/77/68/81/606776881.db2.gz HKRPQXBUVVIJNP-CQSZACIVSA-N -1 1 385.476 0.592 20 30 GCEDMM C=C(C)CN(CC)C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000819722355 606776882 /nfs/dbraw/zinc/77/68/82/606776882.db2.gz HKRPQXBUVVIJNP-CQSZACIVSA-N -1 1 385.476 0.592 20 30 GCEDMM CC(C)[C@](C)(C#N)NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820789019 606780556 /nfs/dbraw/zinc/78/05/56/606780556.db2.gz TYVDXXWQCUBPDA-ACJLOTCBSA-N -1 1 398.475 0.222 20 30 GCEDMM CC(C)[C@](C)(C#N)NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820789019 606780558 /nfs/dbraw/zinc/78/05/58/606780558.db2.gz TYVDXXWQCUBPDA-ACJLOTCBSA-N -1 1 398.475 0.222 20 30 GCEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C#N)s1 ZINC000820788377 606818365 /nfs/dbraw/zinc/81/83/65/606818365.db2.gz FPNXOQWVLHKIOZ-JTQLQIEISA-N -1 1 381.425 0.941 20 30 GCEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C#N)s1 ZINC000820788377 606818367 /nfs/dbraw/zinc/81/83/67/606818367.db2.gz FPNXOQWVLHKIOZ-JTQLQIEISA-N -1 1 381.425 0.941 20 30 GCEDMM CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821343267 607123555 /nfs/dbraw/zinc/12/35/55/607123555.db2.gz MVBRHQKRMNKXRL-UHFFFAOYSA-N -1 1 390.381 0.949 20 30 GCEDMM CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821343267 607123556 /nfs/dbraw/zinc/12/35/56/607123556.db2.gz MVBRHQKRMNKXRL-UHFFFAOYSA-N -1 1 390.381 0.949 20 30 GCEDMM N#Cc1cccc(OC2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c1 ZINC000822837204 607214683 /nfs/dbraw/zinc/21/46/83/607214683.db2.gz JHHDGOSEPUWBDB-UHFFFAOYSA-N -1 1 379.384 0.400 20 30 GCEDMM N#C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000822801661 607216359 /nfs/dbraw/zinc/21/63/59/607216359.db2.gz LSBXYEALVKMGHF-JTQLQIEISA-N -1 1 377.290 0.858 20 30 GCEDMM N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2ccnc2-c2nnn[n-]2)CC1 ZINC000826380075 608012815 /nfs/dbraw/zinc/01/28/15/608012815.db2.gz MABYWCXJBQXUKY-OAHLLOKOSA-N -1 1 377.412 0.472 20 30 GCEDMM N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2ccnc2-c2nn[n-]n2)CC1 ZINC000826380075 608012816 /nfs/dbraw/zinc/01/28/16/608012816.db2.gz MABYWCXJBQXUKY-OAHLLOKOSA-N -1 1 377.412 0.472 20 30 GCEDMM CC#CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823937089 608100730 /nfs/dbraw/zinc/10/07/30/608100730.db2.gz HMMNGOYXLGBQEL-UHFFFAOYSA-N -1 1 382.384 0.970 20 30 GCEDMM C#CCOc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000823856345 608212346 /nfs/dbraw/zinc/21/23/46/608212346.db2.gz PBCRCDGDYWLBEI-UHFFFAOYSA-N -1 1 380.412 0.889 20 30 GCEDMM C#CCOc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000823856345 608212347 /nfs/dbraw/zinc/21/23/47/608212347.db2.gz PBCRCDGDYWLBEI-UHFFFAOYSA-N -1 1 380.412 0.889 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1cccc(C#N)c1 ZINC000825929828 609299138 /nfs/dbraw/zinc/29/91/38/609299138.db2.gz KYMNVDKCVMQXAW-UHFFFAOYSA-N -1 1 380.416 0.818 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1cccc(C#N)c1 ZINC000825929828 609299140 /nfs/dbraw/zinc/29/91/40/609299140.db2.gz KYMNVDKCVMQXAW-UHFFFAOYSA-N -1 1 380.416 0.818 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc(C#N)cc1F ZINC000825929401 609302796 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642604794 /nfs/dbraw/zinc/60/47/94/642604794.db2.gz XQDKNKCPPKQFFO-LLVKDONJSA-N -1 1 376.504 0.780 20 30 GCEDMM C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)ccc1F ZINC000274802375 1184333683 /nfs/dbraw/zinc/33/36/83/1184333683.db2.gz SRWRLVUNKUYGNX-SNVBAGLBSA-N -1 1 382.421 0.679 20 30 GCEDMM C=CCN(CCN1CCN(CCCCS(=O)(=O)[O-])CC1)C(=O)OCC ZINC001209021303 1184439917 /nfs/dbraw/zinc/43/99/17/1184439917.db2.gz WMOLPGKCMRLSKG-UHFFFAOYSA-N -1 1 377.507 0.917 20 30 GCEDMM Cc1nnnn1-c1cc(NS(=O)(=O)c2ccc(C#N)nc2)ccc1C(=O)[O-] ZINC000548263737 1185920803 /nfs/dbraw/zinc/92/08/03/1185920803.db2.gz YTDSIECHGYOCAM-UHFFFAOYSA-N -1 1 385.365 0.736 20 30 GCEDMM C=CCN1C(=O)c2ccc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)cc2C1=O ZINC000512661272 1193729044 /nfs/dbraw/zinc/72/90/44/1193729044.db2.gz OUMMCKNWRMVPFQ-UHFFFAOYSA-N -1 1 375.366 0.243 20 30 GCEDMM C=CCN1C(=O)c2ccc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)cc2C1=O ZINC000512661272 1193729047 /nfs/dbraw/zinc/72/90/47/1193729047.db2.gz OUMMCKNWRMVPFQ-UHFFFAOYSA-N -1 1 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C#CCO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573285720 946785385 /nfs/dbraw/zinc/78/53/85/946785385.db2.gz MBWUTYRYACCXCH-MCIONIFRSA-N -1 1 382.428 0.265 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573285720 946785391 /nfs/dbraw/zinc/78/53/91/946785391.db2.gz MBWUTYRYACCXCH-MCIONIFRSA-N -1 1 382.428 0.265 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573286384 946806441 /nfs/dbraw/zinc/80/64/41/946806441.db2.gz AEWPXWGIEJIDOI-STQMWFEESA-N -1 1 382.428 0.170 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573286384 946806449 /nfs/dbraw/zinc/80/64/49/946806449.db2.gz AEWPXWGIEJIDOI-STQMWFEESA-N -1 1 382.428 0.170 20 30 GCEDMM C#CCOCCC(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573286409 946807124 /nfs/dbraw/zinc/80/71/24/946807124.db2.gz AVZKBBDPYOGSFJ-KGLIPLIRSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCOCCC(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573286409 946807135 /nfs/dbraw/zinc/80/71/35/946807135.db2.gz AVZKBBDPYOGSFJ-KGLIPLIRSA-N -1 1 384.444 0.736 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001573287121 946828577 /nfs/dbraw/zinc/82/85/77/946828577.db2.gz FTCKSJINIURSSF-CYBMUJFWSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001573287121 946828587 /nfs/dbraw/zinc/82/85/87/946828587.db2.gz FTCKSJINIURSSF-CYBMUJFWSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001573287123 946828991 /nfs/dbraw/zinc/82/89/91/946828991.db2.gz FTCKSJINIURSSF-ZDUSSCGKSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001573287123 946829011 /nfs/dbraw/zinc/82/90/11/946829011.db2.gz FTCKSJINIURSSF-ZDUSSCGKSA-N -1 1 375.396 0.432 20 30 GCEDMM C#CCN(CC(=O)[O-])C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001602685875 971283051 /nfs/dbraw/zinc/28/30/51/971283051.db2.gz JIQBGVXPOWIQQZ-UHFFFAOYSA-N -1 1 388.468 0.937 20 30 GCEDMM C#CCOCCC(=O)N(CCC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573287419 946834895 /nfs/dbraw/zinc/83/48/95/946834895.db2.gz NIRBOWBOZFMKNQ-CQSZACIVSA-N -1 1 384.444 0.514 20 30 GCEDMM C#CCOCCC(=O)N(CCC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573287419 946834901 /nfs/dbraw/zinc/83/49/01/946834901.db2.gz NIRBOWBOZFMKNQ-CQSZACIVSA-N -1 1 384.444 0.514 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC001573287476 946837897 /nfs/dbraw/zinc/83/78/97/946837897.db2.gz IIHOYYAABFXIAO-OAHLLOKOSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC001573287476 946837906 /nfs/dbraw/zinc/83/79/06/946837906.db2.gz IIHOYYAABFXIAO-OAHLLOKOSA-N -1 1 389.423 0.822 20 30 GCEDMM C#CCOCCC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573287552 946840755 /nfs/dbraw/zinc/84/07/55/946840755.db2.gz NQBXTDQXMPXGQM-SECBINFHSA-N -1 1 381.849 0.711 20 30 GCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573287612 946843061 /nfs/dbraw/zinc/84/30/61/946843061.db2.gz DWDLTKKCJBDPKW-HDJSIYSDSA-N -1 1 384.444 0.205 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001573287692 946846950 /nfs/dbraw/zinc/84/69/50/946846950.db2.gz KFZRZBLVBUXSMY-AWEZNQCLSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)cn1 ZINC001573287766 946847647 /nfs/dbraw/zinc/84/76/47/946847647.db2.gz FHMGPWATLGGNDL-MRXNPFEDSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)cn1 ZINC001573287766 946847660 /nfs/dbraw/zinc/84/76/60/946847660.db2.gz FHMGPWATLGGNDL-MRXNPFEDSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)NCCN(C)c2cc(-c3nnn[n-]3)nc(CC)n2)cn1 ZINC001573288864 946881068 /nfs/dbraw/zinc/88/10/68/946881068.db2.gz UVIHGMCOWCHDJX-UHFFFAOYSA-N -1 1 377.412 0.462 20 30 GCEDMM C#Cc1ccc(C(=O)NCCN(C)c2cc(-c3nn[n-]n3)nc(CC)n2)cn1 ZINC001573288864 946881085 /nfs/dbraw/zinc/88/10/85/946881085.db2.gz UVIHGMCOWCHDJX-UHFFFAOYSA-N -1 1 377.412 0.462 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H](O)CNc2snc(C)c2-c2nn[n-]n2)nc1 ZINC001573289502 946886864 /nfs/dbraw/zinc/88/68/64/946886864.db2.gz ZRASHZLSFZDFTH-NSHDSACASA-N -1 1 384.425 0.211 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573289778 946891472 /nfs/dbraw/zinc/89/14/72/946891472.db2.gz PWJODGBHOJVTQS-UHFFFAOYSA-N -1 1 375.396 0.748 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573289778 946891482 /nfs/dbraw/zinc/89/14/82/946891482.db2.gz PWJODGBHOJVTQS-UHFFFAOYSA-N -1 1 375.396 0.748 20 30 GCEDMM C#CCOc1ccc(C(=O)N[C@H](C)CN(C)c2nccnc2-c2nnn[n-]2)cc1 ZINC001573289844 946894824 /nfs/dbraw/zinc/89/48/24/946894824.db2.gz QMMWINGAVXUMIJ-CYBMUJFWSA-N -1 1 392.423 0.923 20 30 GCEDMM C#CCOc1ccc(C(=O)N[C@H](C)CN(C)c2nccnc2-c2nn[n-]n2)cc1 ZINC001573289844 946894833 /nfs/dbraw/zinc/89/48/33/946894833.db2.gz QMMWINGAVXUMIJ-CYBMUJFWSA-N -1 1 392.423 0.923 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573290228 946900725 /nfs/dbraw/zinc/90/07/25/946900725.db2.gz UNNITCJYKDVCHO-SMDDNHRTSA-N -1 1 375.396 0.028 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573290892 946912387 /nfs/dbraw/zinc/91/23/87/946912387.db2.gz SFIHCYZLPFLPBG-INIZCTEOSA-N -1 1 388.435 0.966 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573290892 946912390 /nfs/dbraw/zinc/91/23/90/946912390.db2.gz SFIHCYZLPFLPBG-INIZCTEOSA-N -1 1 388.435 0.966 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H](C)[C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001573291289 946917528 /nfs/dbraw/zinc/91/75/28/946917528.db2.gz AUEURAMNKCWYFS-NWDGAFQWSA-N -1 1 377.412 0.960 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H](C)[C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001573291289 946917536 /nfs/dbraw/zinc/91/75/36/946917536.db2.gz AUEURAMNKCWYFS-NWDGAFQWSA-N -1 1 377.412 0.960 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001573291678 946921387 /nfs/dbraw/zinc/92/13/87/946921387.db2.gz HYRLUBGTGJHHTG-JSGCOSHPSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001573291678 946921399 /nfs/dbraw/zinc/92/13/99/946921399.db2.gz HYRLUBGTGJHHTG-JSGCOSHPSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001573291592 946922782 /nfs/dbraw/zinc/92/27/82/946922782.db2.gz GDSYEIBYJVJXIN-INIZCTEOSA-N -1 1 389.423 0.962 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001573291592 946922786 /nfs/dbraw/zinc/92/27/86/946922786.db2.gz GDSYEIBYJVJXIN-INIZCTEOSA-N -1 1 389.423 0.962 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)Nc2cc(-c3nnn[n-]3)nc(CC)n2)c1 ZINC001573291866 946923937 /nfs/dbraw/zinc/92/39/37/946923937.db2.gz LAJQTUHDBCUNHE-LLVKDONJSA-N -1 1 377.412 0.826 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)Nc2cc(-c3nn[n-]n3)nc(CC)n2)c1 ZINC001573291866 946923943 /nfs/dbraw/zinc/92/39/43/946923943.db2.gz LAJQTUHDBCUNHE-LLVKDONJSA-N -1 1 377.412 0.826 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)c1 ZINC001573292027 946926236 /nfs/dbraw/zinc/92/62/36/946926236.db2.gz MUXGYOLHAXGPIQ-OAHLLOKOSA-N -1 1 389.423 0.678 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)c1 ZINC001573292027 946926244 /nfs/dbraw/zinc/92/62/44/946926244.db2.gz MUXGYOLHAXGPIQ-OAHLLOKOSA-N -1 1 389.423 0.678 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)c1 ZINC001573292129 946928849 /nfs/dbraw/zinc/92/88/49/946928849.db2.gz OXTYPNWXBADEON-HNNXBMFYSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)c1 ZINC001573292129 946928858 /nfs/dbraw/zinc/92/88/58/946928858.db2.gz OXTYPNWXBADEON-HNNXBMFYSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001573292356 946932937 /nfs/dbraw/zinc/93/29/37/946932937.db2.gz UKEDOAFACQEJSA-HNNXBMFYSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001573292356 946932944 /nfs/dbraw/zinc/93/29/44/946932944.db2.gz UKEDOAFACQEJSA-HNNXBMFYSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1cncc(C(=O)NCCC2(CNc3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001573292498 946934167 /nfs/dbraw/zinc/93/41/67/946934167.db2.gz WMQIYSAVLFLBBG-UHFFFAOYSA-N -1 1 389.423 0.467 20 30 GCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@H]1O ZINC001573292921 946943043 /nfs/dbraw/zinc/94/30/43/946943043.db2.gz HCZPTOGTZZPHFM-CHWSQXEVSA-N -1 1 386.460 0.487 20 30 GCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@H]1O ZINC001573292921 946943047 /nfs/dbraw/zinc/94/30/47/946943047.db2.gz HCZPTOGTZZPHFM-CHWSQXEVSA-N -1 1 386.460 0.487 20 30 GCEDMM C[C@@H](C#N)C(=O)N(CCNc1ccnc(-c2nn[n-]n2)n1)CCc1ccccc1 ZINC001573561207 946960722 /nfs/dbraw/zinc/96/07/22/946960722.db2.gz JDYGUQGZNAHMHW-AWEZNQCLSA-N -1 1 391.439 0.721 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001573564417 946992607 /nfs/dbraw/zinc/99/26/07/946992607.db2.gz IFFDHCHSPOGKRH-OCCSQVGLSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573564417 946992611 /nfs/dbraw/zinc/99/26/11/946992611.db2.gz IFFDHCHSPOGKRH-OCCSQVGLSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573564794 946997480 /nfs/dbraw/zinc/99/74/80/946997480.db2.gz KVSPALMAVUVPRG-KFNAQCHYSA-N -1 1 397.443 0.624 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573564794 946997487 /nfs/dbraw/zinc/99/74/87/946997487.db2.gz KVSPALMAVUVPRG-KFNAQCHYSA-N -1 1 397.443 0.624 20 30 GCEDMM C=C1CCC(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573295993 947034573 /nfs/dbraw/zinc/03/45/73/947034573.db2.gz ISYXOWKOXGUTJM-CQSZACIVSA-N -1 1 384.444 0.725 20 30 GCEDMM C=C1CCC(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573295993 947034581 /nfs/dbraw/zinc/03/45/81/947034581.db2.gz ISYXOWKOXGUTJM-CQSZACIVSA-N -1 1 384.444 0.725 20 30 GCEDMM C=C1CCC(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)CC1 ZINC001573296135 947039510 /nfs/dbraw/zinc/03/95/10/947039510.db2.gz KZYCRSOHPAKTNI-AWEZNQCLSA-N -1 1 384.444 0.725 20 30 GCEDMM C=C1CCC(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)CC1 ZINC001573296135 947039524 /nfs/dbraw/zinc/03/95/24/947039524.db2.gz KZYCRSOHPAKTNI-AWEZNQCLSA-N -1 1 384.444 0.725 20 30 GCEDMM C=C1CCC(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)CC1 ZINC001573296138 947041711 /nfs/dbraw/zinc/04/17/11/947041711.db2.gz KZYCRSOHPAKTNI-CQSZACIVSA-N -1 1 384.444 0.725 20 30 GCEDMM C=C1CCC(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)CC1 ZINC001573296138 947041721 /nfs/dbraw/zinc/04/17/21/947041721.db2.gz KZYCRSOHPAKTNI-CQSZACIVSA-N -1 1 384.444 0.725 20 30 GCEDMM C=C1CCC(C(=O)N(C)CCOCCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573296437 947046092 /nfs/dbraw/zinc/04/60/92/947046092.db2.gz QJVKDRIYMKADNB-UHFFFAOYSA-N -1 1 386.460 0.712 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001573298761 947083608 /nfs/dbraw/zinc/08/36/08/947083608.db2.gz GNPXVNKGNULICH-KWCYVHTRSA-N -1 1 399.459 0.211 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001573298761 947083618 /nfs/dbraw/zinc/08/36/18/947083618.db2.gz GNPXVNKGNULICH-KWCYVHTRSA-N -1 1 399.459 0.211 20 30 GCEDMM C=C[C@@H](C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573299958 947102749 /nfs/dbraw/zinc/10/27/49/947102749.db2.gz HMNBSEONMJHTRM-ZIAGYGMSSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C[C@@H](C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573299958 947102761 /nfs/dbraw/zinc/10/27/61/947102761.db2.gz HMNBSEONMJHTRM-ZIAGYGMSSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C1CC(C)(C(=O)N2CCCO[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573300532 947115903 /nfs/dbraw/zinc/11/59/03/947115903.db2.gz YOKMDJYTSZZKNQ-CYBMUJFWSA-N -1 1 384.444 0.464 20 30 GCEDMM C=C(C)CCC(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001573300627 947117074 /nfs/dbraw/zinc/11/70/74/947117074.db2.gz RCMVLEVGPVMLAC-AWEZNQCLSA-N -1 1 386.460 0.803 20 30 GCEDMM C=C(C)CCC(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001573300627 947117082 /nfs/dbraw/zinc/11/70/82/947117082.db2.gz RCMVLEVGPVMLAC-AWEZNQCLSA-N -1 1 386.460 0.803 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573301144 947131093 /nfs/dbraw/zinc/13/10/93/947131093.db2.gz ZOZHWMVPNFDLHM-CYBMUJFWSA-N -1 1 387.448 0.218 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573301144 947131099 /nfs/dbraw/zinc/13/10/99/947131099.db2.gz ZOZHWMVPNFDLHM-CYBMUJFWSA-N -1 1 387.448 0.218 20 30 GCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)CCO1 ZINC001573304645 947141478 /nfs/dbraw/zinc/14/14/78/947141478.db2.gz DRAFOYFOGAUHHC-GFCCVEGCSA-N -1 1 386.460 0.753 20 30 GCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)CCO1 ZINC001573304645 947141489 /nfs/dbraw/zinc/14/14/89/947141489.db2.gz DRAFOYFOGAUHHC-GFCCVEGCSA-N -1 1 386.460 0.753 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)O1 ZINC001573577272 947165649 /nfs/dbraw/zinc/16/56/49/947165649.db2.gz OJIDVRQUOXHUFU-NEPJUHHUSA-N -1 1 387.469 0.937 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573578164 947183464 /nfs/dbraw/zinc/18/34/64/947183464.db2.gz ZFQQEQPHHXSBAE-UHLUBPPHSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573582188 947186652 /nfs/dbraw/zinc/18/66/52/947186652.db2.gz BTIHIWWBJCRBNI-WFASDCNBSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573582188 947186659 /nfs/dbraw/zinc/18/66/59/947186659.db2.gz BTIHIWWBJCRBNI-WFASDCNBSA-N -1 1 389.423 0.864 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573308987 947189978 /nfs/dbraw/zinc/18/99/78/947189978.db2.gz ASYPVBQDZISUKK-LXQQGXESSA-N -1 1 384.444 0.600 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573308987 947189983 /nfs/dbraw/zinc/18/99/83/947189983.db2.gz ASYPVBQDZISUKK-LXQQGXESSA-N -1 1 384.444 0.600 20 30 GCEDMM C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@H]1O ZINC001573309094 947190901 /nfs/dbraw/zinc/19/09/01/947190901.db2.gz CNUOCMYQUPBNDY-SNUQEOBHSA-N -1 1 386.460 0.487 20 30 GCEDMM C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@H]1O ZINC001573309094 947190905 /nfs/dbraw/zinc/19/09/05/947190905.db2.gz CNUOCMYQUPBNDY-SNUQEOBHSA-N -1 1 386.460 0.487 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573309268 947193875 /nfs/dbraw/zinc/19/38/75/947193875.db2.gz GEHLAUFUBRGYTE-DOPJRALCSA-N -1 1 384.444 0.601 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573309268 947193888 /nfs/dbraw/zinc/19/38/88/947193888.db2.gz GEHLAUFUBRGYTE-DOPJRALCSA-N -1 1 384.444 0.601 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573309267 947194619 /nfs/dbraw/zinc/19/46/19/947194619.db2.gz GEHLAUFUBRGYTE-BVGQSLNGSA-N -1 1 384.444 0.601 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573309267 947194623 /nfs/dbraw/zinc/19/46/23/947194623.db2.gz GEHLAUFUBRGYTE-BVGQSLNGSA-N -1 1 384.444 0.601 20 30 GCEDMM C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573309281 947196487 /nfs/dbraw/zinc/19/64/87/947196487.db2.gz GIILIVRXLBPXRI-ACJLOTCBSA-N -1 1 386.460 0.710 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCO1 ZINC001573583036 947198696 /nfs/dbraw/zinc/19/86/96/947198696.db2.gz IJQTXCPYGQNWNG-YUMQZZPRSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001573583321 947202491 /nfs/dbraw/zinc/20/24/91/947202491.db2.gz KVZIJPONPYKJOU-VHSXEESVSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573583321 947202497 /nfs/dbraw/zinc/20/24/97/947202497.db2.gz KVZIJPONPYKJOU-VHSXEESVSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573584285 947216608 /nfs/dbraw/zinc/21/66/08/947216608.db2.gz SQMFRRTZBNRUFV-NXEZZACHSA-N -1 1 377.359 0.394 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N(CCC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573310104 947219047 /nfs/dbraw/zinc/21/90/47/947219047.db2.gz UASAZPKKYXDDOD-UGSOOPFHSA-N -1 1 386.460 0.801 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N(CCC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573310104 947219057 /nfs/dbraw/zinc/21/90/57/947219057.db2.gz UASAZPKKYXDDOD-UGSOOPFHSA-N -1 1 386.460 0.801 20 30 GCEDMM CCOC(=O)c1c(C)oc2nc(Cn3cnc(-c4nn[n-]n4)c3C#N)nc(N)c21 ZINC000825553525 947219698 /nfs/dbraw/zinc/21/96/98/947219698.db2.gz SGKXIBYJNOVCEH-UHFFFAOYSA-N -1 1 394.355 0.587 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573584559 947227164 /nfs/dbraw/zinc/22/71/64/947227164.db2.gz YDCYJXRDHFGLPL-DOMZBBRYSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573584559 947227176 /nfs/dbraw/zinc/22/71/76/947227176.db2.gz YDCYJXRDHFGLPL-DOMZBBRYSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1cccc2c1CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573584990 947242065 /nfs/dbraw/zinc/24/20/65/947242065.db2.gz IMZAMXROMZXVFS-LBPRGKRZSA-N -1 1 389.423 0.995 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573584990 947242076 /nfs/dbraw/zinc/24/20/76/947242076.db2.gz IMZAMXROMZXVFS-LBPRGKRZSA-N -1 1 389.423 0.995 20 30 GCEDMM CCc1ccccc1NC(=O)CNC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000825723361 947300441 /nfs/dbraw/zinc/30/04/41/947300441.db2.gz ZIZUBIRVQSQRLP-UHFFFAOYSA-N -1 1 379.384 0.252 20 30 GCEDMM C=CCC(C)(C)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001573318578 947310460 /nfs/dbraw/zinc/31/04/60/947310460.db2.gz DAMNQQCMKUJUEA-ZDUSSCGKSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCC(C)(C)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001573318578 947310481 /nfs/dbraw/zinc/31/04/81/947310481.db2.gz DAMNQQCMKUJUEA-ZDUSSCGKSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCC1(C(=O)N(C)C[C@H](O)CN(C)c2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001573326129 947368492 /nfs/dbraw/zinc/36/84/92/947368492.db2.gz LPDUIAFEPROKDJ-CYBMUJFWSA-N -1 1 386.460 0.659 20 30 GCEDMM C=CCC1(C(=O)N(C)C[C@H](O)CN(C)c2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001573326129 947368506 /nfs/dbraw/zinc/36/85/06/947368506.db2.gz LPDUIAFEPROKDJ-CYBMUJFWSA-N -1 1 386.460 0.659 20 30 GCEDMM C=CCCC(=O)N1CCC2(CC1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001573329650 947423237 /nfs/dbraw/zinc/42/32/37/947423237.db2.gz MTUQNODDTIJETL-UHFFFAOYSA-N -1 1 384.444 0.821 20 30 GCEDMM C=CCCC(=O)N1CCC2(CC1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001573329650 947423245 /nfs/dbraw/zinc/42/32/45/947423245.db2.gz MTUQNODDTIJETL-UHFFFAOYSA-N -1 1 384.444 0.821 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573335880 947492614 /nfs/dbraw/zinc/49/26/14/947492614.db2.gz FNYLJRZXKMYNEV-QWHCGFSZSA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573335880 947492623 /nfs/dbraw/zinc/49/26/23/947492623.db2.gz FNYLJRZXKMYNEV-QWHCGFSZSA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCCO[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573336566 947509127 /nfs/dbraw/zinc/50/91/27/947509127.db2.gz PAYJABJQBCJBAQ-HZSPNIEDSA-N -1 1 386.460 0.757 20 30 GCEDMM C=CCCn1cc(C(=O)N[C@H](C)CN(C)c2nccnc2-c2nnn[n-]2)nn1 ZINC001573341583 947534447 /nfs/dbraw/zinc/53/44/47/947534447.db2.gz OCNRRGWLXARPNG-LLVKDONJSA-N -1 1 383.420 0.079 20 30 GCEDMM C=CCCn1cc(C(=O)N[C@H](C)CN(C)c2nccnc2-c2nn[n-]n2)nn1 ZINC001573341583 947534452 /nfs/dbraw/zinc/53/44/52/947534452.db2.gz OCNRRGWLXARPNG-LLVKDONJSA-N -1 1 383.420 0.079 20 30 GCEDMM C=CCCn1cc(C(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001573341777 947536536 /nfs/dbraw/zinc/53/65/36/947536536.db2.gz QGVZRWWFVDXQBG-NSHDSACASA-N -1 1 383.420 0.445 20 30 GCEDMM C=CCCn1cc(C(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001573341777 947536540 /nfs/dbraw/zinc/53/65/40/947536540.db2.gz QGVZRWWFVDXQBG-NSHDSACASA-N -1 1 383.420 0.445 20 30 GCEDMM C=CCOCC(=O)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C1 ZINC001573342753 947544269 /nfs/dbraw/zinc/54/42/69/947544269.db2.gz BZUBSJAGKOPLRX-IHRRRGAJSA-N -1 1 384.444 0.898 20 30 GCEDMM C=CCOCC(=O)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C1 ZINC001573342753 947544287 /nfs/dbraw/zinc/54/42/87/947544287.db2.gz BZUBSJAGKOPLRX-IHRRRGAJSA-N -1 1 384.444 0.898 20 30 GCEDMM C=CCOCC(=O)N1CCC[C@H](C)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573342866 947547985 /nfs/dbraw/zinc/54/79/85/947547985.db2.gz FTLDLQGWANUGMD-UONOGXRCSA-N -1 1 386.460 0.710 20 30 GCEDMM C=CCOCC(=O)NC1(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001573344020 947567578 /nfs/dbraw/zinc/56/75/78/947567578.db2.gz WLYCSGJLOHSUPJ-UHFFFAOYSA-N -1 1 384.444 0.725 20 30 GCEDMM C=CCOCC(=O)NC1(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001573344020 947567583 /nfs/dbraw/zinc/56/75/83/947567583.db2.gz WLYCSGJLOHSUPJ-UHFFFAOYSA-N -1 1 384.444 0.725 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573350235 947591857 /nfs/dbraw/zinc/59/18/57/947591857.db2.gz ADOGQGRQHLFKRL-HLTSFMKQSA-N -1 1 399.864 0.457 20 30 GCEDMM C=CCn1cc(C(=O)N[C@H](C)CCCNc2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001573350854 947603981 /nfs/dbraw/zinc/60/39/81/947603981.db2.gz JNUBKOYBZRXRCD-LLVKDONJSA-N -1 1 383.420 0.445 20 30 GCEDMM C=CCn1cc(C(=O)N[C@H](C)CCCNc2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001573350854 947603987 /nfs/dbraw/zinc/60/39/87/947603987.db2.gz JNUBKOYBZRXRCD-LLVKDONJSA-N -1 1 383.420 0.445 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573350899 947605859 /nfs/dbraw/zinc/60/58/59/947605859.db2.gz KUVULPBZYJUCJZ-WTANOLMUSA-N -1 1 396.455 0.677 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573350899 947605870 /nfs/dbraw/zinc/60/58/70/947605870.db2.gz KUVULPBZYJUCJZ-WTANOLMUSA-N -1 1 396.455 0.677 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573350930 947606024 /nfs/dbraw/zinc/60/60/24/947606024.db2.gz LKIAERIPRFEZTP-NEPJUHHUSA-N -1 1 375.458 0.871 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573351728 947618466 /nfs/dbraw/zinc/61/84/66/947618466.db2.gz PVSWGHOGZPQHIS-ZBFHGGJFSA-N -1 1 398.471 0.971 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573351728 947618476 /nfs/dbraw/zinc/61/84/76/947618476.db2.gz PVSWGHOGZPQHIS-ZBFHGGJFSA-N -1 1 398.471 0.971 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573351942 947623603 /nfs/dbraw/zinc/62/36/03/947623603.db2.gz XXMWNLFMQUJWRL-MCIONIFRSA-N -1 1 384.444 0.675 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573351942 947623610 /nfs/dbraw/zinc/62/36/10/947623610.db2.gz XXMWNLFMQUJWRL-MCIONIFRSA-N -1 1 384.444 0.675 20 30 GCEDMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573616571 947625613 /nfs/dbraw/zinc/62/56/13/947625613.db2.gz JIYREXFNJFMLEH-WFASDCNBSA-N -1 1 392.427 0.628 20 30 GCEDMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573616570 947625658 /nfs/dbraw/zinc/62/56/58/947625658.db2.gz JIYREXFNJFMLEH-SWLSCSKDSA-N -1 1 392.427 0.628 20 30 GCEDMM C[C@H](C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573643095 947863628 /nfs/dbraw/zinc/86/36/28/947863628.db2.gz UEMMXSMKDGCUQX-BXUZGUMPSA-N -1 1 379.384 0.491 20 30 GCEDMM N#Cc1ccc(-n2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n2)c(Cl)c1 ZINC000826384552 948186683 /nfs/dbraw/zinc/18/66/83/948186683.db2.gz ZYAWGYKLPXFQDS-UHFFFAOYSA-N -1 1 395.774 0.808 20 30 GCEDMM N#Cc1ncn(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826387959 948192361 /nfs/dbraw/zinc/19/23/61/948192361.db2.gz BVLGBDKUZDGRBK-UHFFFAOYSA-N -1 1 387.289 0.978 20 30 GCEDMM N#Cc1cnn(-c2ccccc2)c1NC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000826387708 948192779 /nfs/dbraw/zinc/19/27/79/948192779.db2.gz MJCZHPWGMJJNDV-UHFFFAOYSA-N -1 1 385.351 0.631 20 30 GCEDMM N#Cc1ncn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1-c1nn[n-]n1 ZINC000826388282 948194276 /nfs/dbraw/zinc/19/42/76/948194276.db2.gz QEZRJWLPXPRUTA-UHFFFAOYSA-N -1 1 381.375 0.423 20 30 GCEDMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001573818289 949727825 /nfs/dbraw/zinc/72/78/25/949727825.db2.gz JYLOHCWHFQCZAA-GFCCVEGCSA-N -1 1 380.416 0.535 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575884273 949840817 /nfs/dbraw/zinc/84/08/17/949840817.db2.gz IEWVDUWTRXGGFD-ZYHUDNBSSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575884273 949840831 /nfs/dbraw/zinc/84/08/31/949840831.db2.gz IEWVDUWTRXGGFD-ZYHUDNBSSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575887692 949902378 /nfs/dbraw/zinc/90/23/78/949902378.db2.gz OLGCLNFGJAREFE-MFKMUULPSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575887692 949902400 /nfs/dbraw/zinc/90/24/00/949902400.db2.gz OLGCLNFGJAREFE-MFKMUULPSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575890555 949956793 /nfs/dbraw/zinc/95/67/93/949956793.db2.gz YACRWRTZTZNRMV-GXFFZTMASA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575890555 949956813 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946820398 /nfs/dbraw/zinc/82/03/98/946820398.db2.gz ITQYYQKDCDVKLB-ZDUSSCGKSA-N -1 1 384.444 0.418 20 30 GCEDMM C#CCO[C@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573286800 946821526 /nfs/dbraw/zinc/82/15/26/946821526.db2.gz ITQYYQKDCDVKLB-CYBMUJFWSA-N -1 1 384.444 0.418 20 30 GCEDMM C#CCO[C@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573286800 946821533 /nfs/dbraw/zinc/82/15/33/946821533.db2.gz ITQYYQKDCDVKLB-CYBMUJFWSA-N -1 1 384.444 0.418 20 30 GCEDMM C#CCOCCC(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573287013 946824635 /nfs/dbraw/zinc/82/46/35/946824635.db2.gz KJTSNEZDMALBPE-CQSZACIVSA-N -1 1 384.444 0.880 20 30 GCEDMM C#CCOCCC(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573287013 946824641 /nfs/dbraw/zinc/82/46/41/946824641.db2.gz KJTSNEZDMALBPE-CQSZACIVSA-N -1 1 384.444 0.880 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573287051 946826118 /nfs/dbraw/zinc/82/61/18/946826118.db2.gz LAYRTWIDPYPNBY-MGPQQGTHSA-N -1 1 384.444 0.204 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001573287098 946827443 /nfs/dbraw/zinc/82/74/43/946827443.db2.gz FAKJPDVDGCYEOD-IUODEOHRSA-N -1 1 389.423 0.466 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)nc1 ZINC001573287598 946840487 /nfs/dbraw/zinc/84/04/87/946840487.db2.gz JYWYEVZEEGEGDO-DGCLKSJQSA-N -1 1 375.396 0.748 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)nc1 ZINC001573287598 946840496 /nfs/dbraw/zinc/84/04/96/946840496.db2.gz JYWYEVZEEGEGDO-DGCLKSJQSA-N -1 1 375.396 0.748 20 30 GCEDMM C#CCOCCC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573288004 946851344 /nfs/dbraw/zinc/85/13/44/946851344.db2.gz QZUUDIYBGMREHR-CQSZACIVSA-N -1 1 384.444 0.880 20 30 GCEDMM C#CCOCCC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573288004 946851347 /nfs/dbraw/zinc/85/13/47/946851347.db2.gz QZUUDIYBGMREHR-CQSZACIVSA-N -1 1 384.444 0.880 20 30 GCEDMM C#Cc1ccc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)nc1 ZINC001573287951 946853777 /nfs/dbraw/zinc/85/37/77/946853777.db2.gz MIMKWUXEYWVYMC-UHFFFAOYSA-N -1 1 375.396 0.798 20 30 GCEDMM C#Cc1ccc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCC2)nc1 ZINC001573287951 946853787 /nfs/dbraw/zinc/85/37/87/946853787.db2.gz MIMKWUXEYWVYMC-UHFFFAOYSA-N -1 1 375.396 0.798 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573288102 946858574 /nfs/dbraw/zinc/85/85/74/946858574.db2.gz NKYMABKPLWMWRO-IUODEOHRSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573288102 946858581 /nfs/dbraw/zinc/85/85/81/946858581.db2.gz NKYMABKPLWMWRO-IUODEOHRSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001573288981 946878867 /nfs/dbraw/zinc/87/88/67/946878867.db2.gz WBXAHQQBNNSTFF-OAHLLOKOSA-N -1 1 389.423 0.562 20 30 GCEDMM C#Cc1ccc(C(=O)NC/C=C/CNc2cc(-c3nnn[n-]3)nc(CC)n2)cn1 ZINC001573289166 946883810 /nfs/dbraw/zinc/88/38/10/946883810.db2.gz WXTCEDCPYZRHFW-AATRIKPKSA-N -1 1 389.423 0.994 20 30 GCEDMM C#Cc1ccc(C(=O)NC/C=C/CNc2cc(-c3nn[n-]n3)nc(CC)n2)cn1 ZINC001573289166 946883823 /nfs/dbraw/zinc/88/38/23/946883823.db2.gz WXTCEDCPYZRHFW-AATRIKPKSA-N -1 1 389.423 0.994 20 30 GCEDMM C#Cc1cncc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)c1 ZINC001573291458 946920713 /nfs/dbraw/zinc/92/07/13/946920713.db2.gz DNRPUHNBHMHYQQ-GASCZTMLSA-N -1 1 387.407 0.241 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)c1 ZINC001573291617 946921341 /nfs/dbraw/zinc/92/13/41/946921341.db2.gz GOSFSXYNOSXNOI-IUODEOHRSA-N -1 1 389.423 0.535 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)c1 ZINC001573291617 946921354 /nfs/dbraw/zinc/92/13/54/946921354.db2.gz GOSFSXYNOSXNOI-IUODEOHRSA-N -1 1 389.423 0.535 20 30 GCEDMM C#Cc1cncc(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001573292183 946928111 /nfs/dbraw/zinc/92/81/11/946928111.db2.gz PJWMKYDSJBSOJH-UHFFFAOYSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001573292404 946933709 /nfs/dbraw/zinc/93/37/09/946933709.db2.gz VNDGGBOGIAOMMH-CYBMUJFWSA-N -1 1 375.396 0.289 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001573292404 946933717 /nfs/dbraw/zinc/93/37/17/946933717.db2.gz VNDGGBOGIAOMMH-CYBMUJFWSA-N -1 1 375.396 0.289 20 30 GCEDMM C#Cc1cncc(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573292407 946934208 /nfs/dbraw/zinc/93/42/08/946934208.db2.gz VNXUUWWUQWIGLL-CQSZACIVSA-N -1 1 389.423 0.679 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573292344 946934329 /nfs/dbraw/zinc/93/43/29/946934329.db2.gz UJIKQOPUDLBPDP-DZGCQCFKSA-N -1 1 389.423 0.466 20 30 GCEDMM C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573561200 946960589 /nfs/dbraw/zinc/96/05/89/946960589.db2.gz JDSIIKWFUIHYCG-JGVFFNPUSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573561466 946964073 /nfs/dbraw/zinc/96/40/73/946964073.db2.gz LBXXSVYIIXSOQI-SFYZADRCSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573561466 946964080 /nfs/dbraw/zinc/96/40/80/946964080.db2.gz LBXXSVYIIXSOQI-SFYZADRCSA-N -1 1 384.853 0.392 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573294446 946988135 /nfs/dbraw/zinc/98/81/35/946988135.db2.gz FYYMZBXIFIPHAB-WWGRRREGSA-N -1 1 384.444 0.675 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573294446 946988145 /nfs/dbraw/zinc/98/81/45/946988145.db2.gz FYYMZBXIFIPHAB-WWGRRREGSA-N -1 1 384.444 0.675 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001573564418 946992640 /nfs/dbraw/zinc/99/26/40/946992640.db2.gz IFFDHCHSPOGKRH-TZMCWYRMSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573564418 946992647 /nfs/dbraw/zinc/99/26/47/946992647.db2.gz IFFDHCHSPOGKRH-TZMCWYRMSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573565187 947001996 /nfs/dbraw/zinc/00/19/96/947001996.db2.gz OINCCWAETUOHRZ-TZMCWYRMSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573565187 947002007 /nfs/dbraw/zinc/00/20/07/947002007.db2.gz OINCCWAETUOHRZ-TZMCWYRMSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573569904 947077885 /nfs/dbraw/zinc/07/78/85/947077885.db2.gz HDGXEZMHDKLLSP-YUMQZZPRSA-N -1 1 382.837 0.776 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573569904 947077893 /nfs/dbraw/zinc/07/78/93/947077893.db2.gz HDGXEZMHDKLLSP-YUMQZZPRSA-N -1 1 382.837 0.776 20 30 GCEDMM C=C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573298876 947085428 /nfs/dbraw/zinc/08/54/28/947085428.db2.gz AAUSSEBABJBVID-UONOGXRCSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573298876 947085437 /nfs/dbraw/zinc/08/54/37/947085437.db2.gz AAUSSEBABJBVID-UONOGXRCSA-N -1 1 380.412 0.516 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCOC2(CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573570593 947092580 /nfs/dbraw/zinc/09/25/80/947092580.db2.gz RCEVDDRNOREJFD-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCOC2(CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573570593 947092585 /nfs/dbraw/zinc/09/25/85/947092585.db2.gz RCEVDDRNOREJFD-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM C=C[C@@H](C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573299955 947101792 /nfs/dbraw/zinc/10/17/92/947101792.db2.gz HMNBSEONMJHTRM-UONOGXRCSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C[C@@H](C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573299955 947101799 /nfs/dbraw/zinc/10/17/99/947101799.db2.gz HMNBSEONMJHTRM-UONOGXRCSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573300403 947111416 /nfs/dbraw/zinc/11/14/16/947111416.db2.gz PPGQFPVLQFWKSI-AAEUAGOBSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573300403 947111420 /nfs/dbraw/zinc/11/14/20/947111420.db2.gz PPGQFPVLQFWKSI-AAEUAGOBSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573301174 947132940 /nfs/dbraw/zinc/13/29/40/947132940.db2.gz ZXWBJLKAKCONJY-OCCSQVGLSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573301174 947132943 /nfs/dbraw/zinc/13/29/43/947132943.db2.gz ZXWBJLKAKCONJY-OCCSQVGLSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](CC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573301177 947133245 /nfs/dbraw/zinc/13/32/45/947133245.db2.gz ZXWBJLKAKCONJY-TZMCWYRMSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573301177 947133247 /nfs/dbraw/zinc/13/32/47/947133247.db2.gz ZXWBJLKAKCONJY-TZMCWYRMSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@H]1O ZINC001573309096 947190941 /nfs/dbraw/zinc/19/09/41/947190941.db2.gz CNUOCMYQUPBNDY-VFVRVIDISA-N -1 1 386.460 0.487 20 30 GCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@H]1O ZINC001573309096 947190944 /nfs/dbraw/zinc/19/09/44/947190944.db2.gz CNUOCMYQUPBNDY-VFVRVIDISA-N -1 1 386.460 0.487 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001573582558 947193596 /nfs/dbraw/zinc/19/35/96/947193596.db2.gz FHVGNPGWKUZOHI-SFYZADRCSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001573582558 947193601 /nfs/dbraw/zinc/19/36/01/947193601.db2.gz FHVGNPGWKUZOHI-SFYZADRCSA-N -1 1 382.837 0.458 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1C[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573309226 947194110 /nfs/dbraw/zinc/19/41/10/947194110.db2.gz FHHXMLLFYVOWNF-BVRBVLIYSA-N -1 1 386.460 0.799 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1C[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573309226 947194116 /nfs/dbraw/zinc/19/41/16/947194116.db2.gz FHHXMLLFYVOWNF-BVRBVLIYSA-N -1 1 386.460 0.799 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573309269 947194273 /nfs/dbraw/zinc/19/42/73/947194273.db2.gz GEHLAUFUBRGYTE-JEBQAFNWSA-N -1 1 384.444 0.601 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573309269 947194278 /nfs/dbraw/zinc/19/42/78/947194278.db2.gz GEHLAUFUBRGYTE-JEBQAFNWSA-N -1 1 384.444 0.601 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573582913 947198101 /nfs/dbraw/zinc/19/81/01/947198101.db2.gz HWTVGHNSNBZNTP-IUODEOHRSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001573583322 947202684 /nfs/dbraw/zinc/20/26/84/947202684.db2.gz KVZIJPONPYKJOU-ZJUUUORDSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573583322 947202693 /nfs/dbraw/zinc/20/26/93/947202693.db2.gz KVZIJPONPYKJOU-ZJUUUORDSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001573584259 947215331 /nfs/dbraw/zinc/21/53/31/947215331.db2.gz RYXMVWGZYMDDCI-VHSXEESVSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001573584259 947215338 /nfs/dbraw/zinc/21/53/38/947215338.db2.gz RYXMVWGZYMDDCI-VHSXEESVSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCC1(F)F ZINC001573584373 947218891 /nfs/dbraw/zinc/21/88/91/947218891.db2.gz VAQCARRDMPZTRT-VHSXEESVSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCC1(F)F ZINC001573584373 947218899 /nfs/dbraw/zinc/21/88/99/947218899.db2.gz VAQCARRDMPZTRT-VHSXEESVSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1cccc2c1CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573584981 947241701 /nfs/dbraw/zinc/24/17/01/947241701.db2.gz IMZAMXROMZXVFS-GFCCVEGCSA-N -1 1 389.423 0.995 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573584981 947241704 /nfs/dbraw/zinc/24/17/04/947241704.db2.gz IMZAMXROMZXVFS-GFCCVEGCSA-N -1 1 389.423 0.995 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573585255 947252158 /nfs/dbraw/zinc/25/21/58/947252158.db2.gz MLBQJZUJSVRJIN-LLVKDONJSA-N -1 1 375.396 0.953 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573585255 947252167 /nfs/dbraw/zinc/25/21/67/947252167.db2.gz MLBQJZUJSVRJIN-LLVKDONJSA-N -1 1 375.396 0.953 20 30 GCEDMM CCOc1ccc(OCCNC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC000825643078 947267234 /nfs/dbraw/zinc/26/72/34/947267234.db2.gz HYFDJBFMNRWKLP-UHFFFAOYSA-N -1 1 382.384 0.529 20 30 GCEDMM CN(C)S(=O)(=O)c1ccc(OCCn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC000825875730 947353253 /nfs/dbraw/zinc/35/32/53/947353253.db2.gz WUQYNVUPURAIDD-UHFFFAOYSA-N -1 1 388.413 0.264 20 30 GCEDMM C=CCC1(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCOCC1 ZINC001573325361 947355303 /nfs/dbraw/zinc/35/53/03/947355303.db2.gz AXSICOSVABSOAI-UHFFFAOYSA-N -1 1 384.444 0.678 20 30 GCEDMM C=CCC1(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCOCC1 ZINC001573325361 947355315 /nfs/dbraw/zinc/35/53/15/947355315.db2.gz AXSICOSVABSOAI-UHFFFAOYSA-N -1 1 384.444 0.678 20 30 GCEDMM COC(=O)C(C(=O)Cn1cnc(-c2nn[n-]n2)c1C#N)=C1Nc2ccccc2N1 ZINC000826098801 947427530 /nfs/dbraw/zinc/42/75/30/947427530.db2.gz PIDJJCHEYYCABU-UHFFFAOYSA-N -1 1 391.351 0.426 20 30 GCEDMM C=CCCCC(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573334590 947459808 /nfs/dbraw/zinc/45/98/08/947459808.db2.gz PERBSNXZKSODAY-AWEZNQCLSA-N -1 1 386.460 0.803 20 30 GCEDMM C=CCCOCC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573336084 947497251 /nfs/dbraw/zinc/49/72/51/947497251.db2.gz HXVGMAVPWYWILK-UHFFFAOYSA-N -1 1 386.460 0.902 20 30 GCEDMM C=CCCOCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001573337371 947516225 /nfs/dbraw/zinc/51/62/25/947516225.db2.gz WODRMGBBHGALBG-UHFFFAOYSA-N -1 1 388.432 0.327 20 30 GCEDMM C=CCCOCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001573337371 947516233 /nfs/dbraw/zinc/51/62/33/947516233.db2.gz WODRMGBBHGALBG-UHFFFAOYSA-N -1 1 388.432 0.327 20 30 GCEDMM C=CCOCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573342863 947547002 /nfs/dbraw/zinc/54/70/02/947547002.db2.gz FTLDLQGWANUGMD-KGLIPLIRSA-N -1 1 386.460 0.710 20 30 GCEDMM C=CCOc1cccnc1C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573348376 947583189 /nfs/dbraw/zinc/58/31/89/947583189.db2.gz PXKIAMTYMUEVMT-NSHDSACASA-N -1 1 381.400 0.269 20 30 GCEDMM C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001573349007 947589798 /nfs/dbraw/zinc/58/97/98/947589798.db2.gz YASANLYKDXQJLS-GHMZBOCLSA-N -1 1 381.404 0.007 20 30 GCEDMM C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001573349007 947589808 /nfs/dbraw/zinc/58/98/08/947589808.db2.gz YASANLYKDXQJLS-GHMZBOCLSA-N -1 1 381.404 0.007 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1CC ZINC001573350438 947596569 /nfs/dbraw/zinc/59/65/69/947596569.db2.gz BKOGQAAXOWKMNX-RQJABVFESA-N -1 1 384.444 0.721 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1CC ZINC001573350438 947596573 /nfs/dbraw/zinc/59/65/73/947596573.db2.gz BKOGQAAXOWKMNX-RQJABVFESA-N -1 1 384.444 0.721 20 30 GCEDMM COc1ccc(OC)c([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c1 ZINC000826211264 947615211 /nfs/dbraw/zinc/61/52/11/947615211.db2.gz VZRJOQKCYXMYNL-JTQLQIEISA-N -1 1 382.384 0.829 20 30 GCEDMM COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c1 ZINC000826211265 947616337 /nfs/dbraw/zinc/61/63/37/947616337.db2.gz VZRJOQKCYXMYNL-SNVBAGLBSA-N -1 1 382.384 0.829 20 30 GCEDMM C=CCn1cc(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)C)nn1 ZINC001573351843 947620652 /nfs/dbraw/zinc/62/06/52/947620652.db2.gz VXOLKHOIICQFPA-NSHDSACASA-N -1 1 383.420 0.301 20 30 GCEDMM C=CCn1cc(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)C)nn1 ZINC001573351843 947620657 /nfs/dbraw/zinc/62/06/57/947620657.db2.gz VXOLKHOIICQFPA-NSHDSACASA-N -1 1 383.420 0.301 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573352039 947622793 /nfs/dbraw/zinc/62/27/93/947622793.db2.gz YQWBEQQLCRYOOS-ZNMIVQPWSA-N -1 1 398.471 0.710 20 30 GCEDMM CC#CCCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001573358745 947670240 /nfs/dbraw/zinc/67/02/40/947670240.db2.gz PRXLGXAAODEFKY-DZGCQCFKSA-N -1 1 384.444 0.215 20 30 GCEDMM CC#CCCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573358745 947670248 /nfs/dbraw/zinc/67/02/48/947670248.db2.gz PRXLGXAAODEFKY-DZGCQCFKSA-N -1 1 384.444 0.215 20 30 GCEDMM CC#CCCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001573358747 947671143 /nfs/dbraw/zinc/67/11/43/947671143.db2.gz PRXLGXAAODEFKY-UKRRQHHQSA-N -1 1 384.444 0.215 20 30 GCEDMM CC#CCCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573358747 947671146 /nfs/dbraw/zinc/67/11/46/947671146.db2.gz PRXLGXAAODEFKY-UKRRQHHQSA-N -1 1 384.444 0.215 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1-c1nnn[n-]1 ZINC000826344375 948006962 /nfs/dbraw/zinc/00/69/62/948006962.db2.gz GHNBCPDVHQEUQP-UHFFFAOYSA-N -1 1 379.384 0.321 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1-c1nn[n-]n1 ZINC000826344375 948006968 /nfs/dbraw/zinc/00/69/68/948006968.db2.gz GHNBCPDVHQEUQP-UHFFFAOYSA-N -1 1 379.384 0.321 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1-c1nnn[n-]1 ZINC000826344668 948010770 /nfs/dbraw/zinc/01/07/70/948010770.db2.gz ODTAWMYTOBKTNO-UHFFFAOYSA-N -1 1 379.384 0.321 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1-c1nn[n-]n1 ZINC000826344668 948010779 /nfs/dbraw/zinc/01/07/79/948010779.db2.gz ODTAWMYTOBKTNO-UHFFFAOYSA-N -1 1 379.384 0.321 20 30 GCEDMM N#Cc1ncn(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)c1C#N ZINC000826388108 948192286 /nfs/dbraw/zinc/19/22/86/948192286.db2.gz IQZLBXYBXDOLAP-UHFFFAOYSA-N -1 1 385.351 0.631 20 30 GCEDMM N#Cc1ncn(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)c1C#N ZINC000826388108 948192292 /nfs/dbraw/zinc/19/22/92/948192292.db2.gz IQZLBXYBXDOLAP-UHFFFAOYSA-N -1 1 385.351 0.631 20 30 GCEDMM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575511546 949127656 /nfs/dbraw/zinc/12/76/56/949127656.db2.gz KBCVJCPWISSZPC-SNVBAGLBSA-N -1 1 380.368 0.220 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575890540 949951115 /nfs/dbraw/zinc/95/11/15/949951115.db2.gz XSVPMZFBJAFGFA-PWSUYJOCSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575890540 949951131 /nfs/dbraw/zinc/95/11/31/949951131.db2.gz XSVPMZFBJAFGFA-PWSUYJOCSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184011 950109727 /nfs/dbraw/zinc/10/97/27/950109727.db2.gz VCDHZSXYLHAZDT-BXUZGUMPSA-N -1 1 392.427 0.631 20 30 GCEDMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574157549 950240264 /nfs/dbraw/zinc/24/02/64/950240264.db2.gz CSRKOFOORCLCDI-CYBMUJFWSA-N -1 1 380.416 0.535 20 30 GCEDMM CC(C)(C)NS(=O)(=O)C1(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001573850640 950279329 /nfs/dbraw/zinc/27/93/29/950279329.db2.gz LZOZWYQDKPWHBH-UHFFFAOYSA-N -1 1 377.434 0.191 20 30 GCEDMM CC(C)(C)NS(=O)(=O)C1(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001573850640 950279352 /nfs/dbraw/zinc/27/93/52/950279352.db2.gz LZOZWYQDKPWHBH-UHFFFAOYSA-N -1 1 377.434 0.191 20 30 GCEDMM CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001602830816 971653989 /nfs/dbraw/zinc/65/39/89/971653989.db2.gz ZLMGKZBOFHZFPO-RKDXNWHRSA-N -1 1 385.364 0.462 20 30 GCEDMM CC(C)(C)OC(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001573857085 950399230 /nfs/dbraw/zinc/39/92/30/950399230.db2.gz NJRFGYVSKUFEAN-JTQLQIEISA-N -1 1 387.404 0.576 20 30 GCEDMM CC(C)(C)OC(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001573857085 950399248 /nfs/dbraw/zinc/39/92/48/950399248.db2.gz NJRFGYVSKUFEAN-JTQLQIEISA-N -1 1 387.404 0.576 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001573857104 950405446 /nfs/dbraw/zinc/40/54/46/950405446.db2.gz NXZIJAAKPUKGNV-DKCNOQQISA-N -1 1 385.388 0.655 20 30 GCEDMM CC(C)(C)OC(=O)N[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC[C@H]1F ZINC001573862659 950473264 /nfs/dbraw/zinc/47/32/64/950473264.db2.gz ZZPAJUXQAVRFMH-MWLCHTKSSA-N -1 1 389.395 0.970 20 30 GCEDMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575127790 952060510 /nfs/dbraw/zinc/06/05/10/952060510.db2.gz CREAORBKJDVGAI-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575127790 952060518 /nfs/dbraw/zinc/06/05/18/952060518.db2.gz CREAORBKJDVGAI-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575128469 952067884 /nfs/dbraw/zinc/06/78/84/952067884.db2.gz JFVKXLHGXHPDRR-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575128469 952067894 /nfs/dbraw/zinc/06/78/94/952067894.db2.gz JFVKXLHGXHPDRR-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575155112 952235335 /nfs/dbraw/zinc/23/53/35/952235335.db2.gz WJZIKEIOLHNMNJ-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575155112 952235341 /nfs/dbraw/zinc/23/53/41/952235341.db2.gz WJZIKEIOLHNMNJ-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM CCS(=O)(=O)N1CCC(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001571128163 952564762 /nfs/dbraw/zinc/56/47/62/952564762.db2.gz PNOCQEJVUZBODU-UHFFFAOYSA-N -1 1 377.434 0.002 20 30 GCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571135721 952607896 /nfs/dbraw/zinc/60/78/96/952607896.db2.gz BVGAOZHPFQNQGY-QWRGUYRKSA-N -1 1 378.400 0.677 20 30 GCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571135721 952607898 /nfs/dbraw/zinc/60/78/98/952607898.db2.gz BVGAOZHPFQNQGY-QWRGUYRKSA-N -1 1 378.400 0.677 20 30 GCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571135722 952608020 /nfs/dbraw/zinc/60/80/20/952608020.db2.gz BVGAOZHPFQNQGY-WDEREUQCSA-N -1 1 378.400 0.677 20 30 GCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571135722 952608022 /nfs/dbraw/zinc/60/80/22/952608022.db2.gz BVGAOZHPFQNQGY-WDEREUQCSA-N -1 1 378.400 0.677 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1 ZINC001571135695 952608085 /nfs/dbraw/zinc/60/80/85/952608085.db2.gz BGNGALWSDKHVOA-YMTOWFKASA-N -1 1 378.400 0.738 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1 ZINC001571135695 952608087 /nfs/dbraw/zinc/60/80/87/952608087.db2.gz BGNGALWSDKHVOA-YMTOWFKASA-N -1 1 378.400 0.738 20 30 GCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571135709 952608295 /nfs/dbraw/zinc/60/82/95/952608295.db2.gz BMHFBJCZRQDWFA-JQWIXIFHSA-N -1 1 378.400 0.819 20 30 GCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571135709 952608299 /nfs/dbraw/zinc/60/82/99/952608299.db2.gz BMHFBJCZRQDWFA-JQWIXIFHSA-N -1 1 378.400 0.819 20 30 GCEDMM C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571135799 952609240 /nfs/dbraw/zinc/60/92/40/952609240.db2.gz DXWIOAUZUVUICO-JQWIXIFHSA-N -1 1 378.400 0.644 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571135948 952611011 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ZINC001573289524 946885660 /nfs/dbraw/zinc/88/56/60/946885660.db2.gz ZWAFDRSEKXNKGZ-TZMCWYRMSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H](C)C2)nc1 ZINC001573289524 946885666 /nfs/dbraw/zinc/88/56/66/946885666.db2.gz ZWAFDRSEKXNKGZ-TZMCWYRMSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccccc1CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573289730 946893632 /nfs/dbraw/zinc/89/36/32/946893632.db2.gz CEPOXBFTSBJQLY-UHFFFAOYSA-N -1 1 388.435 0.966 20 30 GCEDMM C#Cc1ccccc1CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573289730 946893638 /nfs/dbraw/zinc/89/36/38/946893638.db2.gz CEPOXBFTSBJQLY-UHFFFAOYSA-N -1 1 388.435 0.966 20 30 GCEDMM C#CCOCCC(=O)N[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573290329 946902262 /nfs/dbraw/zinc/90/22/62/946902262.db2.gz WVZOLVKNNJDJDY-ZDUSSCGKSA-N -1 1 384.444 0.344 20 30 GCEDMM C#CCOCCC(=O)N[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573290329 946902268 /nfs/dbraw/zinc/90/22/68/946902268.db2.gz WVZOLVKNNJDJDY-ZDUSSCGKSA-N -1 1 384.444 0.344 20 30 GCEDMM C#CCOCCC(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573290315 946902570 /nfs/dbraw/zinc/90/25/70/946902570.db2.gz WJEDHRGEDXHHIH-DNVCBOLYSA-N -1 1 396.455 0.562 20 30 GCEDMM C#CCOCCC(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573290315 946902581 /nfs/dbraw/zinc/90/25/81/946902581.db2.gz WJEDHRGEDXHHIH-DNVCBOLYSA-N -1 1 396.455 0.562 20 30 GCEDMM C#Cc1ccccc1CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001573290789 946910967 /nfs/dbraw/zinc/91/09/67/946910967.db2.gz POBAXWGNGKLBFW-INIZCTEOSA-N -1 1 388.435 0.966 20 30 GCEDMM C#Cc1ccccc1CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001573290789 946910970 /nfs/dbraw/zinc/91/09/70/946910970.db2.gz POBAXWGNGKLBFW-INIZCTEOSA-N -1 1 388.435 0.966 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001573292405 946932833 /nfs/dbraw/zinc/93/28/33/946932833.db2.gz VNDGGBOGIAOMMH-ZDUSSCGKSA-N -1 1 375.396 0.289 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001573292405 946932838 /nfs/dbraw/zinc/93/28/38/946932838.db2.gz VNDGGBOGIAOMMH-ZDUSSCGKSA-N -1 1 375.396 0.289 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001573292505 946935630 /nfs/dbraw/zinc/93/56/30/946935630.db2.gz WPLSNIQLHBVAOF-WFASDCNBSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001573292505 946935633 /nfs/dbraw/zinc/93/56/33/946935633.db2.gz WPLSNIQLHBVAOF-WFASDCNBSA-N -1 1 389.423 0.820 20 30 GCEDMM C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001573293234 946951817 /nfs/dbraw/zinc/95/18/17/946951817.db2.gz PLYXJJNKIPEASA-SFHVURJKSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001573293234 946951826 /nfs/dbraw/zinc/95/18/26/946951826.db2.gz PLYXJJNKIPEASA-SFHVURJKSA-N -1 1 386.460 0.971 20 30 GCEDMM C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573561202 946959365 /nfs/dbraw/zinc/95/93/65/946959365.db2.gz JDSIIKWFUIHYCG-YUMQZZPRSA-N -1 1 384.853 0.392 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573294344 946985895 /nfs/dbraw/zinc/98/58/95/946985895.db2.gz CLKKRYUODUSRGU-QCQGSNGOSA-N -1 1 384.444 0.945 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573294344 946985899 /nfs/dbraw/zinc/98/58/99/946985899.db2.gz CLKKRYUODUSRGU-QCQGSNGOSA-N -1 1 384.444 0.945 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573294715 946997516 /nfs/dbraw/zinc/99/75/16/946997516.db2.gz JOMLLVJXUYLVCX-KEYYUXOJSA-N -1 1 398.471 0.971 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573294715 946997520 /nfs/dbraw/zinc/99/75/20/946997520.db2.gz JOMLLVJXUYLVCX-KEYYUXOJSA-N -1 1 398.471 0.971 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001573565784 947015728 /nfs/dbraw/zinc/01/57/28/947015728.db2.gz VXPLBEKEZNUSKD-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001573565784 947015735 /nfs/dbraw/zinc/01/57/35/947015735.db2.gz VXPLBEKEZNUSKD-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573295893 947030986 /nfs/dbraw/zinc/03/09/86/947030986.db2.gz VLGNBXDXFWIBLJ-HOCLYGCPSA-N -1 1 398.471 0.710 20 30 GCEDMM C=C1CC(C)(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCCO2)C1 ZINC001573296266 947044396 /nfs/dbraw/zinc/04/43/96/947044396.db2.gz MHRIYVMIJWJXQC-CYBMUJFWSA-N -1 1 384.444 0.725 20 30 GCEDMM C=C1CC(C)(C(=O)NC[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)CCO2)C1 ZINC001573296753 947054361 /nfs/dbraw/zinc/05/43/61/947054361.db2.gz ZSDULYUHFOEPCG-ZDUSSCGKSA-N -1 1 384.444 0.643 20 30 GCEDMM C=C1CC(C)(C(=O)NC[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)CCO2)C1 ZINC001573296753 947054375 /nfs/dbraw/zinc/05/43/75/947054375.db2.gz ZSDULYUHFOEPCG-ZDUSSCGKSA-N -1 1 384.444 0.643 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573298074 947069844 /nfs/dbraw/zinc/06/98/44/947069844.db2.gz AHTLOTGZOSSKJA-BXUZGUMPSA-N -1 1 387.448 0.386 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573298074 947069855 /nfs/dbraw/zinc/06/98/55/947069855.db2.gz AHTLOTGZOSSKJA-BXUZGUMPSA-N -1 1 387.448 0.386 20 30 GCEDMM C=C[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573298877 947085551 /nfs/dbraw/zinc/08/55/51/947085551.db2.gz AAUSSEBABJBVID-ZIAGYGMSSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573298877 947085561 /nfs/dbraw/zinc/08/55/61/947085561.db2.gz AAUSSEBABJBVID-ZIAGYGMSSA-N -1 1 380.412 0.516 20 30 GCEDMM C=CC(C)(C)C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001573300037 947104244 /nfs/dbraw/zinc/10/42/44/947104244.db2.gz IGIKFMQPDSIYLB-GOSISDBHSA-N -1 1 384.444 0.677 20 30 GCEDMM C=CC(C)(C)C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001573300037 947104251 /nfs/dbraw/zinc/10/42/51/947104251.db2.gz IGIKFMQPDSIYLB-GOSISDBHSA-N -1 1 384.444 0.677 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573300404 947111563 /nfs/dbraw/zinc/11/15/63/947111563.db2.gz PPGQFPVLQFWKSI-WCQYABFASA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573300404 947111566 /nfs/dbraw/zinc/11/15/66/947111566.db2.gz PPGQFPVLQFWKSI-WCQYABFASA-N -1 1 387.448 0.434 20 30 GCEDMM C=C1CC(C)(C(=O)N(C)C[C@H](O)CNc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573300502 947112964 /nfs/dbraw/zinc/11/29/64/947112964.db2.gz YELNKRZMPYSHBJ-GFCCVEGCSA-N -1 1 386.460 0.807 20 30 GCEDMM C=C1CC(C)(C(=O)N(C)C[C@H](O)CNc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573300502 947112971 /nfs/dbraw/zinc/11/29/71/947112971.db2.gz YELNKRZMPYSHBJ-GFCCVEGCSA-N -1 1 386.460 0.807 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NCCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573301145 947130210 /nfs/dbraw/zinc/13/02/10/947130210.db2.gz ZOZHWMVPNFDLHM-ZDUSSCGKSA-N -1 1 387.448 0.218 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NCCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573301145 947130215 /nfs/dbraw/zinc/13/02/15/947130215.db2.gz ZOZHWMVPNFDLHM-ZDUSSCGKSA-N -1 1 387.448 0.218 20 30 GCEDMM C#CCN1CCC(NC(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001602701032 971325462 /nfs/dbraw/zinc/32/54/62/971325462.db2.gz SKYBHRACWGOWEM-IBGZPJMESA-N -1 1 395.456 0.291 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)O1 ZINC001573577279 947166711 /nfs/dbraw/zinc/16/67/11/947166711.db2.gz OJIDVRQUOXHUFU-VXGBXAGGSA-N -1 1 387.469 0.937 20 30 GCEDMM CCN(CC(=O)NCc1cccs1)C(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000825395988 947173747 /nfs/dbraw/zinc/17/37/47/947173747.db2.gz YTPJAPIADSODFB-UHFFFAOYSA-N -1 1 399.440 0.161 20 30 GCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573307893 947185228 /nfs/dbraw/zinc/18/52/28/947185228.db2.gz WYMZMHZPPZXQSL-ROUUACIJSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573307893 947185239 /nfs/dbraw/zinc/18/52/39/947185239.db2.gz WYMZMHZPPZXQSL-ROUUACIJSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573309183 947191357 /nfs/dbraw/zinc/19/13/57/947191357.db2.gz DQLRBQYZSOKXRB-UPRAQXHNSA-N -1 1 398.471 0.849 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001573582554 947194496 /nfs/dbraw/zinc/19/44/96/947194496.db2.gz FHVGNPGWKUZOHI-HTQZYQBOSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001573582554 947194501 /nfs/dbraw/zinc/19/45/01/947194501.db2.gz FHVGNPGWKUZOHI-HTQZYQBOSA-N -1 1 382.837 0.458 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573309270 947194603 /nfs/dbraw/zinc/19/46/03/947194603.db2.gz GEHLAUFUBRGYTE-KKXDTOCCSA-N -1 1 384.444 0.601 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573309270 947194606 /nfs/dbraw/zinc/19/46/06/947194606.db2.gz GEHLAUFUBRGYTE-KKXDTOCCSA-N -1 1 384.444 0.601 20 30 GCEDMM C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573309282 947195489 /nfs/dbraw/zinc/19/54/89/947195489.db2.gz GIILIVRXLBPXRI-FZKQIMNGSA-N -1 1 386.460 0.710 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCO1 ZINC001573583031 947197646 /nfs/dbraw/zinc/19/76/46/947197646.db2.gz IJQTXCPYGQNWNG-JGVFFNPUSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCO1 ZINC001573583034 947198054 /nfs/dbraw/zinc/19/80/54/947198054.db2.gz IJQTXCPYGQNWNG-SFYZADRCSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573583656 947205362 /nfs/dbraw/zinc/20/53/62/947205362.db2.gz NRGZSZBNNMTFLI-HTQZYQBOSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573583656 947205377 /nfs/dbraw/zinc/20/53/77/947205377.db2.gz NRGZSZBNNMTFLI-HTQZYQBOSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573583658 947205989 /nfs/dbraw/zinc/20/59/89/947205989.db2.gz NRGZSZBNNMTFLI-JGVFFNPUSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573583658 947206000 /nfs/dbraw/zinc/20/60/00/947206000.db2.gz NRGZSZBNNMTFLI-JGVFFNPUSA-N -1 1 382.837 0.458 20 30 GCEDMM CCOC(=O)Cc1csc(NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)n1 ZINC000825517892 947210470 /nfs/dbraw/zinc/21/04/70/947210470.db2.gz PKZLIIGNTYOPEP-UHFFFAOYSA-N -1 1 387.385 0.136 20 30 GCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001573309827 947210560 /nfs/dbraw/zinc/21/05/60/947210560.db2.gz PAGRLPOWGRJKOX-FHSNZYRGSA-N -1 1 386.460 0.969 20 30 GCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001573309827 947210564 /nfs/dbraw/zinc/21/05/64/947210564.db2.gz PAGRLPOWGRJKOX-FHSNZYRGSA-N -1 1 386.460 0.969 20 30 GCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001573309828 947211186 /nfs/dbraw/zinc/21/11/86/947211186.db2.gz PAGRLPOWGRJKOX-VBHSOAQHSA-N -1 1 386.460 0.969 20 30 GCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001573309828 947211197 /nfs/dbraw/zinc/21/11/97/947211197.db2.gz PAGRLPOWGRJKOX-VBHSOAQHSA-N -1 1 386.460 0.969 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573310358 947221101 /nfs/dbraw/zinc/22/11/01/947221101.db2.gz WXHMVMZCUKYMLF-YVEFUNNKSA-N -1 1 384.444 0.459 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573310354 947221650 /nfs/dbraw/zinc/22/16/50/947221650.db2.gz WXHMVMZCUKYMLF-PXAZEXFGSA-N -1 1 384.444 0.459 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573310365 947223582 /nfs/dbraw/zinc/22/35/82/947223582.db2.gz XBRVIBIUEGOCAI-WPKBUWHJSA-N -1 1 384.444 0.411 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573310365 947223593 /nfs/dbraw/zinc/22/35/93/947223593.db2.gz XBRVIBIUEGOCAI-WPKBUWHJSA-N -1 1 384.444 0.411 20 30 GCEDMM C[C@H](C#N)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1c1ccccc1 ZINC001573585643 947262143 /nfs/dbraw/zinc/26/21/43/947262143.db2.gz UBXYCXWJRKSXRY-IVMMDQJWSA-N -1 1 389.423 0.905 20 30 GCEDMM C[C@H](C#N)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1c1ccccc1 ZINC001573585643 947262153 /nfs/dbraw/zinc/26/21/53/947262153.db2.gz UBXYCXWJRKSXRY-IVMMDQJWSA-N -1 1 389.423 0.905 20 30 GCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1c1ccccc1 ZINC001573585785 947269310 /nfs/dbraw/zinc/26/93/10/947269310.db2.gz WJFRICSONVCJTJ-AEGPPILISA-N -1 1 389.423 0.905 20 30 GCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1c1ccccc1 ZINC001573585785 947269322 /nfs/dbraw/zinc/26/93/22/947269322.db2.gz WJFRICSONVCJTJ-AEGPPILISA-N -1 1 389.423 0.905 20 30 GCEDMM C=CCC(C)(C)C(=O)NC[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001573318463 947309723 /nfs/dbraw/zinc/30/97/23/947309723.db2.gz CIIGHBFDDXDNKN-ZDUSSCGKSA-N -1 1 386.460 0.889 20 30 GCEDMM C=CCC(C)(C)C(=O)NC[C@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001573318463 947309734 /nfs/dbraw/zinc/30/97/34/947309734.db2.gz CIIGHBFDDXDNKN-ZDUSSCGKSA-N -1 1 386.460 0.889 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)CCCC1 ZINC001573328771 947413746 /nfs/dbraw/zinc/41/37/46/947413746.db2.gz CHZQFYRNNKOHGI-KGLIPLIRSA-N -1 1 384.444 0.459 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)CCCC1 ZINC001573328771 947413754 /nfs/dbraw/zinc/41/37/54/947413754.db2.gz CHZQFYRNNKOHGI-KGLIPLIRSA-N -1 1 384.444 0.459 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573335879 947492110 /nfs/dbraw/zinc/49/21/10/947492110.db2.gz FNYLJRZXKMYNEV-OLZOCXBDSA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573335879 947492119 /nfs/dbraw/zinc/49/21/19/947492119.db2.gz FNYLJRZXKMYNEV-OLZOCXBDSA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573336137 947502048 /nfs/dbraw/zinc/50/20/48/947502048.db2.gz JFZHXYPIGUNDSG-JSGCOSHPSA-N -1 1 386.460 0.969 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573336137 947502055 /nfs/dbraw/zinc/50/20/55/947502055.db2.gz JFZHXYPIGUNDSG-JSGCOSHPSA-N -1 1 386.460 0.969 20 30 GCEDMM C=CCCOCC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573337129 947513683 /nfs/dbraw/zinc/51/36/83/947513683.db2.gz VBKVVGGCCYVHSI-JSGCOSHPSA-N -1 1 388.432 0.277 20 30 GCEDMM C=CCCOCC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573337129 947513695 /nfs/dbraw/zinc/51/36/95/947513695.db2.gz VBKVVGGCCYVHSI-JSGCOSHPSA-N -1 1 388.432 0.277 20 30 GCEDMM C=CCCn1cc(C(=O)NCCN(CC)c2nccnc2-c2nnn[n-]2)nn1 ZINC001573341162 947526885 /nfs/dbraw/zinc/52/68/85/947526885.db2.gz JFWKRKQLZFGFKN-UHFFFAOYSA-N -1 1 383.420 0.081 20 30 GCEDMM C=CCCn1cc(C(=O)NCCN(CC)c2nccnc2-c2nn[n-]n2)nn1 ZINC001573341162 947526894 /nfs/dbraw/zinc/52/68/94/947526894.db2.gz JFWKRKQLZFGFKN-UHFFFAOYSA-N -1 1 383.420 0.081 20 30 GCEDMM C=CCCn1cc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)nn1 ZINC001573341355 947529626 /nfs/dbraw/zinc/52/96/26/947529626.db2.gz LSKFPXURRXIRFD-NSHDSACASA-N -1 1 383.420 0.302 20 30 GCEDMM C=CCCn1cc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)nn1 ZINC001573341355 947529637 /nfs/dbraw/zinc/52/96/37/947529637.db2.gz LSKFPXURRXIRFD-NSHDSACASA-N -1 1 383.420 0.302 20 30 GCEDMM COc1cc(NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)cc(OC)c1OC ZINC000826180364 947558156 /nfs/dbraw/zinc/55/81/56/947558156.db2.gz DPZKNICPWFGFBY-UHFFFAOYSA-N -1 1 384.356 0.599 20 30 GCEDMM C=CCOCCCC(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573348200 947582462 /nfs/dbraw/zinc/58/24/62/947582462.db2.gz NWAKKGZKNIXWPQ-AWEZNQCLSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCOCCCC(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573348200 947582472 /nfs/dbraw/zinc/58/24/72/947582472.db2.gz NWAKKGZKNIXWPQ-AWEZNQCLSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCn1cc(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001573350301 947594293 /nfs/dbraw/zinc/59/42/93/947594293.db2.gz CMOMGBZBLCACRL-UHFFFAOYSA-N -1 1 381.404 0.055 20 30 GCEDMM C=CCn1cc(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001573350301 947594304 /nfs/dbraw/zinc/59/43/04/947594304.db2.gz CMOMGBZBLCACRL-UHFFFAOYSA-N -1 1 381.404 0.055 20 30 GCEDMM COc1ccc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)c3C#N)CC2)cc1 ZINC000826209884 947614027 /nfs/dbraw/zinc/61/40/27/947614027.db2.gz VMHUYFCAWABWPI-UHFFFAOYSA-N -1 1 393.411 0.292 20 30 GCEDMM COc1ccc(OC)c([C@H](C)NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)c1 ZINC000826210940 947616878 /nfs/dbraw/zinc/61/68/78/947616878.db2.gz KJHWDWHMEZDBNJ-JTQLQIEISA-N -1 1 382.384 0.829 20 30 GCEDMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573616568 947624811 /nfs/dbraw/zinc/62/48/11/947624811.db2.gz JIYREXFNJFMLEH-IUODEOHRSA-N -1 1 392.427 0.628 20 30 GCEDMM CC#CCCCC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573358991 947677494 /nfs/dbraw/zinc/67/74/94/947677494.db2.gz SZQWNTMOUUDYKC-GOSISDBHSA-N -1 1 384.444 0.298 20 30 GCEDMM CC#CCCCC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573358991 947677498 /nfs/dbraw/zinc/67/74/98/947677498.db2.gz SZQWNTMOUUDYKC-GOSISDBHSA-N -1 1 384.444 0.298 20 30 GCEDMM C[C@H](C(=O)N1CCC(Nc2ccccc2C#N)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573622651 947683531 /nfs/dbraw/zinc/68/35/31/947683531.db2.gz CCIDWIFRSVWTGL-GFCCVEGCSA-N -1 1 392.427 0.994 20 30 GCEDMM Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC000826290282 947843952 /nfs/dbraw/zinc/84/39/52/947843952.db2.gz HXFZYTINYBJXML-UHFFFAOYSA-N -1 1 379.384 0.340 20 30 GCEDMM C[C@H](C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573643104 947864040 /nfs/dbraw/zinc/86/40/40/947864040.db2.gz UEMMXSMKDGCUQX-RISCZKNCSA-N -1 1 379.384 0.491 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000826383323 948181578 /nfs/dbraw/zinc/18/15/78/948181578.db2.gz VIVMNQYTPPAONW-UHFFFAOYSA-N -1 1 395.339 0.054 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000826383401 948181887 /nfs/dbraw/zinc/18/18/87/948181887.db2.gz YYAUYQAIQTWFIZ-UHFFFAOYSA-N -1 1 377.368 0.466 20 30 GCEDMM N#Cc1ncn(CC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c1-c1nn[nH]n1 ZINC000826388094 948192276 /nfs/dbraw/zinc/19/22/76/948192276.db2.gz IHSODWWRLLUGIK-UHFFFAOYSA-N -1 1 388.294 0.493 20 30 GCEDMM N#Cc1ncn(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826388089 948192693 /nfs/dbraw/zinc/19/26/93/948192693.db2.gz IESIVELKFNDNOK-UHFFFAOYSA-N -1 1 381.312 0.012 20 30 GCEDMM N#Cc1ncn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1-c1nn[n-]n1 ZINC000826388320 948193676 /nfs/dbraw/zinc/19/36/76/948193676.db2.gz RRIVZOFXOPPUKO-UHFFFAOYSA-N -1 1 377.368 0.466 20 30 GCEDMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001573818163 949723879 /nfs/dbraw/zinc/72/38/79/949723879.db2.gz HIFGWIJLTDTVGC-GFCCVEGCSA-N -1 1 380.416 0.535 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575886589 949886037 /nfs/dbraw/zinc/88/60/37/949886037.db2.gz MYPYRQYKSCLMMF-PWSUYJOCSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575892086 950046820 /nfs/dbraw/zinc/04/68/20/950046820.db2.gz RHHSQRDIHDNLLF-JQWIXIFHSA-N -1 1 378.400 0.644 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@@](O)(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573853414 950320221 /nfs/dbraw/zinc/32/02/21/950320221.db2.gz OOYPVDPLIHORGP-MRXNPFEDSA-N -1 1 387.404 0.312 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)[C@@H](O)C1 ZINC001573853531 950328438 /nfs/dbraw/zinc/32/84/38/950328438.db2.gz RCLQGOXIDGTVOA-KOLCDFICSA-N -1 1 387.404 0.311 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)[C@@H](O)C1 ZINC001573853531 950328461 /nfs/dbraw/zinc/32/84/61/950328461.db2.gz RCLQGOXIDGTVOA-KOLCDFICSA-N -1 1 387.404 0.311 20 30 GCEDMM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001573857528 950407080 /nfs/dbraw/zinc/40/70/80/950407080.db2.gz UIVRJWLTKOJENE-QMMMGPOBSA-N -1 1 391.417 0.710 20 30 GCEDMM N#Cc1ncc(NCc2ccc(OCC(F)(F)F)nn2)nc1-c1nn[n-]n1 ZINC001571129924 952577407 /nfs/dbraw/zinc/57/74/07/952577407.db2.gz LPEASBJTVQWFAA-UHFFFAOYSA-N -1 1 378.278 0.872 20 30 GCEDMM N#Cc1cc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)c[nH]1 ZINC001571135977 952610980 /nfs/dbraw/zinc/61/09/80/952610980.db2.gz JOZFIVZAYGKFDJ-CYBMUJFWSA-N -1 1 378.400 0.385 20 30 GCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001571136429 952613996 /nfs/dbraw/zinc/61/39/96/952613996.db2.gz QEKZVPZUFCIVGE-UHFFFAOYSA-N -1 1 378.400 0.381 20 30 GCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001571136429 952614002 /nfs/dbraw/zinc/61/40/02/952614002.db2.gz QEKZVPZUFCIVGE-UHFFFAOYSA-N -1 1 378.400 0.381 20 30 GCEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)[nH]1 ZINC001571136801 952616359 /nfs/dbraw/zinc/61/63/59/952616359.db2.gz WKRYYNNAJCPTHX-GFCCVEGCSA-N -1 1 378.400 0.645 20 30 GCEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)[nH]1 ZINC001571136801 952616362 /nfs/dbraw/zinc/61/63/62/952616362.db2.gz WKRYYNNAJCPTHX-GFCCVEGCSA-N -1 1 378.400 0.645 20 30 GCEDMM CCc1nc(CN2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)cs1 ZINC001571210169 953070784 /nfs/dbraw/zinc/07/07/84/953070784.db2.gz NHRLHPXXOJOXCG-UHFFFAOYSA-N -1 1 382.457 0.869 20 30 GCEDMM CCc1nc(CN2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)cs1 ZINC001571210169 953070790 /nfs/dbraw/zinc/07/07/90/953070790.db2.gz 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JZQVRKIKGCJFCM-ZWNOBZJWSA-N -1 1 377.426 0.077 20 30 GCEDMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCc1cncc(C#N)c1 ZINC001178373770 1205785938 /nfs/dbraw/zinc/78/59/38/1205785938.db2.gz PKVKEFCUBHLYLU-UHFFFAOYSA-N -1 1 382.424 0.843 20 30 GCEDMM O=C(CN1C(=O)CNC1=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001180379369 1205822668 /nfs/dbraw/zinc/82/26/68/1205822668.db2.gz AAYVAGQPBBLCRQ-UBKPWBPPSA-N -1 1 386.393 0.712 20 30 GCEDMM CSc1[n-]c(=O)c(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)cc1C#N ZINC001181414129 1205843049 /nfs/dbraw/zinc/84/30/49/1205843049.db2.gz ZTSLJSWASRWAGX-YVEFUNNKSA-N -1 1 378.454 0.336 20 30 GCEDMM N#C[C@@H](Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001183612903 1205896172 /nfs/dbraw/zinc/89/61/72/1205896172.db2.gz KBCLEHHLVHCXGQ-CJNGLKHVSA-N -1 1 399.407 0.116 20 30 GCEDMM CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184245292 1205907063 /nfs/dbraw/zinc/90/70/63/1205907063.db2.gz SNMHUXRUTJJLKR-UHFFFAOYSA-N -1 1 378.430 0.658 20 30 GCEDMM Cc1nc(I)oc1C(=O)N([O-])C(=N)c1nonc1N ZINC001184620014 1205912194 /nfs/dbraw/zinc/91/21/94/1205912194.db2.gz DYMGRLCDPFGSKP-UHFFFAOYSA-N -1 1 378.086 0.410 20 30 GCEDMM CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001184860130 1205914489 /nfs/dbraw/zinc/91/44/89/1205914489.db2.gz AANRSFFQCZPSHE-UHFFFAOYSA-N -1 1 377.361 0.805 20 30 GCEDMM CSc1ncc(O)c(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])n1 ZINC001185197999 1205917962 /nfs/dbraw/zinc/91/79/62/1205917962.db2.gz ZOHGHAJSJFGFRP-MRVPVSSYSA-N -1 1 398.403 0.060 20 30 GCEDMM N#Cc1ccc(I)c(C(=O)N([O-])C(=N)c2nonc2N)c1 ZINC001185781675 1205928990 /nfs/dbraw/zinc/92/89/90/1205928990.db2.gz PHRRYYHDTXXQLH-UHFFFAOYSA-N -1 1 398.120 0.985 20 30 GCEDMM Cc1ccc(S(=O)(=O)n2ccc(C(=O)N([O-])C(=N)c3nonc3N)c2)cc1 ZINC001189671033 1206012672 /nfs/dbraw/zinc/01/26/72/1206012672.db2.gz OFAGKHMEBWVKEH-UHFFFAOYSA-N -1 1 390.381 0.856 20 30 GCEDMM N#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)[nH]1 ZINC001571295640 946168430 /nfs/dbraw/zinc/16/84/30/946168430.db2.gz AGNWPNUZYZRXOL-BETUJISGSA-N -1 1 390.411 0.740 20 30 GCEDMM N#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)[nH]1 ZINC001571295640 946168439 /nfs/dbraw/zinc/16/84/39/946168439.db2.gz AGNWPNUZYZRXOL-BETUJISGSA-N -1 1 390.411 0.740 20 30 GCEDMM N#Cc1cc(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)c[nH]1 ZINC001571295685 946172008 /nfs/dbraw/zinc/17/20/08/946172008.db2.gz CFFNXQLTZVJETO-YPMHNXCESA-N -1 1 390.411 0.455 20 30 GCEDMM N#Cc1cc(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)c[nH]1 ZINC001571295685 946172016 /nfs/dbraw/zinc/17/20/16/946172016.db2.gz CFFNXQLTZVJETO-YPMHNXCESA-N -1 1 390.411 0.455 20 30 GCEDMM N#Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001571296063 946185814 /nfs/dbraw/zinc/18/58/14/946185814.db2.gz MQJMQDLCNSZJNS-NHYWBVRUSA-N -1 1 390.411 0.597 20 30 GCEDMM N#Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001571296063 946185818 /nfs/dbraw/zinc/18/58/18/946185818.db2.gz MQJMQDLCNSZJNS-NHYWBVRUSA-N -1 1 390.411 0.597 20 30 GCEDMM N#Cc1cc(C(=O)N[C@@]23CCC[C@@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)c[nH]1 ZINC001571296276 946190072 /nfs/dbraw/zinc/19/00/72/946190072.db2.gz SPYFQJCGBSHVIE-KBXCAEBGSA-N -1 1 390.411 0.788 20 30 GCEDMM N#Cc1cc(C(=O)N[C@@]23CCC[C@@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)c[nH]1 ZINC001571296276 946190075 /nfs/dbraw/zinc/19/00/75/946190075.db2.gz SPYFQJCGBSHVIE-KBXCAEBGSA-N -1 1 390.411 0.788 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cnc(-c4nnn[n-]4)cn2)C3)[nH]1 ZINC001571296350 946191217 /nfs/dbraw/zinc/19/12/17/946191217.db2.gz VLCOEIVIMNWZQF-UHTWSYAYSA-N -1 1 390.411 0.644 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cnc(-c4nn[n-]n4)cn2)C3)[nH]1 ZINC001571296350 946191222 /nfs/dbraw/zinc/19/12/22/946191222.db2.gz VLCOEIVIMNWZQF-UHTWSYAYSA-N -1 1 390.411 0.644 20 30 GCEDMM COc1cccc(C(=O)N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)c1 ZINC001571302281 946297241 /nfs/dbraw/zinc/29/72/41/946297241.db2.gz TXCUEUYHKAISKG-UHFFFAOYSA-N -1 1 391.395 0.499 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC001571312817 946502973 /nfs/dbraw/zinc/50/29/73/946502973.db2.gz KVHRBQGNAORONO-DGCLKSJQSA-N -1 1 392.427 0.952 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC001571312817 946502976 /nfs/dbraw/zinc/50/29/76/946502976.db2.gz KVHRBQGNAORONO-DGCLKSJQSA-N -1 1 392.427 0.952 20 30 GCEDMM CN(C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571314035 946538807 /nfs/dbraw/zinc/53/88/07/946538807.db2.gz ZRMZFJOVULYQPZ-GFCCVEGCSA-N -1 1 392.427 0.845 20 30 GCEDMM C#CC[C@@H](CCOC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001573280779 946668760 /nfs/dbraw/zinc/66/87/60/946668760.db2.gz RVGQKEVTWHKKFG-JTQLQIEISA-N -1 1 380.386 0.482 20 30 GCEDMM C#CC[C@@H](CCOC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001573280779 946668765 /nfs/dbraw/zinc/66/87/65/946668765.db2.gz RVGQKEVTWHKKFG-JTQLQIEISA-N -1 1 380.386 0.482 20 30 GCEDMM C#CCCCCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001573282301 946687565 /nfs/dbraw/zinc/68/75/65/946687565.db2.gz IGWNPAAOAUPNLN-KGLIPLIRSA-N -1 1 384.444 0.296 20 30 GCEDMM C#CCCCCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001573282301 946687570 /nfs/dbraw/zinc/68/75/70/946687570.db2.gz IGWNPAAOAUPNLN-KGLIPLIRSA-N -1 1 384.444 0.296 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573286237 946800637 /nfs/dbraw/zinc/80/06/37/946800637.db2.gz WUIWXGNMPHUQRJ-UONOGXRCSA-N -1 1 384.444 0.878 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573286237 946800649 /nfs/dbraw/zinc/80/06/49/946800649.db2.gz WUIWXGNMPHUQRJ-UONOGXRCSA-N -1 1 384.444 0.878 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573286345 946804202 /nfs/dbraw/zinc/80/42/02/946804202.db2.gz ZFINUTURPNQNOT-KGLIPLIRSA-N -1 1 384.444 0.878 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573286345 946804221 /nfs/dbraw/zinc/80/42/21/946804221.db2.gz ZFINUTURPNQNOT-KGLIPLIRSA-N -1 1 384.444 0.878 20 30 GCEDMM C#CCOCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573286411 946805747 /nfs/dbraw/zinc/80/57/47/946805747.db2.gz AVZKBBDPYOGSFJ-ZIAGYGMSSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCOCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573286411 946805752 /nfs/dbraw/zinc/80/57/52/946805752.db2.gz AVZKBBDPYOGSFJ-ZIAGYGMSSA-N -1 1 384.444 0.736 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)cn1 ZINC001573286948 946823384 /nfs/dbraw/zinc/82/33/84/946823384.db2.gz CTFWGMKISAADBX-OKILXGFUSA-N -1 1 387.407 0.241 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)cn1 ZINC001573286948 946823393 /nfs/dbraw/zinc/82/33/93/946823393.db2.gz CTFWGMKISAADBX-OKILXGFUSA-N -1 1 387.407 0.241 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573287518 946836999 /nfs/dbraw/zinc/83/69/99/946836999.db2.gz JFNLBDMAOJIKKH-CQSZACIVSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)C)nc1 ZINC001573287452 946838146 /nfs/dbraw/zinc/83/81/46/946838146.db2.gz HPKWLBMWFOQPKV-OAHLLOKOSA-N -1 1 377.412 0.900 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)C)nc1 ZINC001573287452 946838152 /nfs/dbraw/zinc/83/81/52/946838152.db2.gz HPKWLBMWFOQPKV-OAHLLOKOSA-N -1 1 377.412 0.900 20 30 GCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573287874 946848732 /nfs/dbraw/zinc/84/87/32/946848732.db2.gz PXBXFHKNSLXWTA-MGPQQGTHSA-N -1 1 384.444 0.274 20 30 GCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573287874 946848744 /nfs/dbraw/zinc/84/87/44/946848744.db2.gz PXBXFHKNSLXWTA-MGPQQGTHSA-N -1 1 384.444 0.274 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573288058 946855682 /nfs/dbraw/zinc/85/56/82/946855682.db2.gz HTGLHMMYUVFSMF-CQSZACIVSA-N -1 1 375.396 0.384 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573288058 946855687 /nfs/dbraw/zinc/85/56/87/946855687.db2.gz HTGLHMMYUVFSMF-CQSZACIVSA-N -1 1 375.396 0.384 20 30 GCEDMM C#CCOc1ccc(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573288084 946856542 /nfs/dbraw/zinc/85/65/42/946856542.db2.gz IHIJCSXKZIVRCA-GFCCVEGCSA-N -1 1 378.396 0.899 20 30 GCEDMM C#CCOc1ccc(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573288084 946856554 /nfs/dbraw/zinc/85/65/54/946856554.db2.gz IHIJCSXKZIVRCA-GFCCVEGCSA-N -1 1 378.396 0.899 20 30 GCEDMM C#CCOCCC(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573288916 946878782 /nfs/dbraw/zinc/87/87/82/946878782.db2.gz ZBGIQZCLIDQRAD-CQSZACIVSA-N -1 1 384.444 0.514 20 30 GCEDMM C#CCOCCC(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573288916 946878798 /nfs/dbraw/zinc/87/87/98/946878798.db2.gz ZBGIQZCLIDQRAD-CQSZACIVSA-N -1 1 384.444 0.514 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H](C)C2)nc1 ZINC001573289523 946885798 /nfs/dbraw/zinc/88/57/98/946885798.db2.gz ZWAFDRSEKXNKGZ-OCCSQVGLSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H](C)C2)nc1 ZINC001573289523 946885809 /nfs/dbraw/zinc/88/58/09/946885809.db2.gz ZWAFDRSEKXNKGZ-OCCSQVGLSA-N -1 1 389.423 0.996 20 30 GCEDMM C#CCOc1ccc(C(=O)NCCN(C)c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573289895 946895106 /nfs/dbraw/zinc/89/51/06/946895106.db2.gz QRIZWCAMWUJQRV-UHFFFAOYSA-N -1 1 378.396 0.535 20 30 GCEDMM C#CCOc1ccc(C(=O)NCCN(C)c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573289895 946895124 /nfs/dbraw/zinc/89/51/24/946895124.db2.gz QRIZWCAMWUJQRV-UHFFFAOYSA-N -1 1 378.396 0.535 20 30 GCEDMM C#CCOCCC(=O)NCCN(c1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573289923 946895171 /nfs/dbraw/zinc/89/51/71/946895171.db2.gz RMYVIWNDYIVVSR-UHFFFAOYSA-N -1 1 375.458 0.757 20 30 GCEDMM C#CCOc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573290278 946900751 /nfs/dbraw/zinc/90/07/51/946900751.db2.gz VBOSOXYMFGDQLP-OLZOCXBDSA-N -1 1 392.423 0.710 20 30 GCEDMM C#CCOc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573290313 946903169 /nfs/dbraw/zinc/90/31/69/946903169.db2.gz WGTZQYLATZOUKD-CQSZACIVSA-N -1 1 390.407 0.417 20 30 GCEDMM C#CCOc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573290316 946903243 /nfs/dbraw/zinc/90/32/43/946903243.db2.gz WJQONAXCOFOQBA-CQSZACIVSA-N -1 1 390.407 0.995 20 30 GCEDMM C#CCOc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573290316 946903251 /nfs/dbraw/zinc/90/32/51/946903251.db2.gz WJQONAXCOFOQBA-CQSZACIVSA-N -1 1 390.407 0.995 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573290311 946903441 /nfs/dbraw/zinc/90/34/41/946903441.db2.gz WDOVUTMCUUKUBB-UHFFFAOYSA-N -1 1 375.396 0.170 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573291388 946917037 /nfs/dbraw/zinc/91/70/37/946917037.db2.gz ZRJOXKCMRIFTNP-CYBMUJFWSA-N -1 1 376.424 0.822 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573291388 946917048 /nfs/dbraw/zinc/91/70/48/946917048.db2.gz ZRJOXKCMRIFTNP-CYBMUJFWSA-N -1 1 376.424 0.822 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001573291675 946921305 /nfs/dbraw/zinc/92/13/05/946921305.db2.gz HWZGFTLCHBDLKJ-CQSZACIVSA-N -1 1 375.396 0.750 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001573291675 946921321 /nfs/dbraw/zinc/92/13/21/946921321.db2.gz HWZGFTLCHBDLKJ-CQSZACIVSA-N -1 1 375.396 0.750 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001573291679 946922217 /nfs/dbraw/zinc/92/22/17/946922217.db2.gz HYRLUBGTGJHHTG-OCCSQVGLSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001573291679 946922223 /nfs/dbraw/zinc/92/22/23/946922223.db2.gz HYRLUBGTGJHHTG-OCCSQVGLSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1cncc(C(=O)NCCCN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)c1 ZINC001573291681 946922822 /nfs/dbraw/zinc/92/28/22/946922822.db2.gz HZBKQONRJSMWTC-UHFFFAOYSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1cncc(C(=O)NCCCN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)c1 ZINC001573291681 946922827 /nfs/dbraw/zinc/92/28/27/946922827.db2.gz HZBKQONRJSMWTC-UHFFFAOYSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001573291874 946924851 /nfs/dbraw/zinc/92/48/51/946924851.db2.gz LIXZJOYUVOWRHK-DZGCQCFKSA-N -1 1 389.423 0.466 20 30 GCEDMM C=C(C)C(C)(C)C(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573293351 946956378 /nfs/dbraw/zinc/95/63/78/946956378.db2.gz TUWHYTHKAXSRLP-UHFFFAOYSA-N -1 1 385.476 0.497 20 30 GCEDMM C=C(C)C(C)(C)C(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573293351 946956387 /nfs/dbraw/zinc/95/63/87/946956387.db2.gz TUWHYTHKAXSRLP-UHFFFAOYSA-N -1 1 385.476 0.497 20 30 GCEDMM C=C(C)CCC(=O)NC[C@@H]1COCCN1c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573294143 946981552 /nfs/dbraw/zinc/98/15/52/946981552.db2.gz WGXNCIKDYPOIFU-CYBMUJFWSA-N -1 1 386.460 0.897 20 30 GCEDMM C=C(C)CCC(=O)NC[C@@H]1COCCN1c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573294143 946981560 /nfs/dbraw/zinc/98/15/60/946981560.db2.gz WGXNCIKDYPOIFU-CYBMUJFWSA-N -1 1 386.460 0.897 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573294447 946988529 /nfs/dbraw/zinc/98/85/29/946988529.db2.gz FYYMZBXIFIPHAB-XEZPLFJOSA-N -1 1 384.444 0.675 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573294447 946988533 /nfs/dbraw/zinc/98/85/33/946988533.db2.gz FYYMZBXIFIPHAB-XEZPLFJOSA-N -1 1 384.444 0.675 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC2(CC1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001573564205 946991762 /nfs/dbraw/zinc/99/17/62/946991762.db2.gz HXTHKXAMBMQMQP-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC2(CC1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001573564205 946991768 /nfs/dbraw/zinc/99/17/68/946991768.db2.gz HXTHKXAMBMQMQP-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573295779 947029644 /nfs/dbraw/zinc/02/96/44/947029644.db2.gz UIPHTXJPHFFNRA-WWGRRREGSA-N -1 1 384.444 0.723 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573295779 947029656 /nfs/dbraw/zinc/02/96/56/947029656.db2.gz UIPHTXJPHFFNRA-WWGRRREGSA-N -1 1 384.444 0.723 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCO[C@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573569895 947078749 /nfs/dbraw/zinc/07/87/49/947078749.db2.gz HDGXEZMHDKLLSP-HTQZYQBOSA-N -1 1 382.837 0.776 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCO[C@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573569895 947078759 /nfs/dbraw/zinc/07/87/59/947078759.db2.gz HDGXEZMHDKLLSP-HTQZYQBOSA-N -1 1 382.837 0.776 20 30 GCEDMM C=C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccccc1 ZINC001573298906 947086016 /nfs/dbraw/zinc/08/60/16/947086016.db2.gz AJZONHCEOLXDIS-ZNMIVQPWSA-N -1 1 392.423 0.292 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573300873 947123652 /nfs/dbraw/zinc/12/36/52/947123652.db2.gz VWUSAPXWALKMME-XQQFMLRXSA-N -1 1 385.432 0.187 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573300873 947123659 /nfs/dbraw/zinc/12/36/59/947123659.db2.gz VWUSAPXWALKMME-XQQFMLRXSA-N -1 1 385.432 0.187 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573582187 947187779 /nfs/dbraw/zinc/18/77/79/947187779.db2.gz BTIHIWWBJCRBNI-SWLSCSKDSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573582187 947187784 /nfs/dbraw/zinc/18/77/84/947187784.db2.gz BTIHIWWBJCRBNI-SWLSCSKDSA-N -1 1 389.423 0.864 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573308973 947189616 /nfs/dbraw/zinc/18/96/16/947189616.db2.gz AIRJCQOINQFLDP-GOSISDBHSA-N -1 1 386.460 0.707 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573308973 947189623 /nfs/dbraw/zinc/18/96/23/947189623.db2.gz AIRJCQOINQFLDP-GOSISDBHSA-N -1 1 386.460 0.707 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N(CCO)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573309419 947199141 /nfs/dbraw/zinc/19/91/41/947199141.db2.gz IQXALYPRWAJECW-HNNXBMFYSA-N -1 1 381.462 0.192 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573583664 947205151 /nfs/dbraw/zinc/20/51/51/947205151.db2.gz NRGZSZBNNMTFLI-YUMQZZPRSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573583664 947205162 /nfs/dbraw/zinc/20/51/62/947205162.db2.gz NRGZSZBNNMTFLI-YUMQZZPRSA-N -1 1 382.837 0.458 20 30 GCEDMM CCOC(=O)CN(C(=O)Cn1cnc(C#N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825512144 947212359 /nfs/dbraw/zinc/21/23/59/947212359.db2.gz VQCVLRHUZQHISG-UHFFFAOYSA-N -1 1 380.368 0.531 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F ZINC001573584540 947226280 /nfs/dbraw/zinc/22/62/80/947226280.db2.gz XVLSAIXXDGVCAR-ZJUUUORDSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F ZINC001573584540 947226293 /nfs/dbraw/zinc/22/62/93/947226293.db2.gz XVLSAIXXDGVCAR-ZJUUUORDSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573584547 947226969 /nfs/dbraw/zinc/22/69/69/947226969.db2.gz XXNVPGZWAWMGDB-SFYZADRCSA-N -1 1 382.837 0.458 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573336139 947500560 /nfs/dbraw/zinc/50/05/60/947500560.db2.gz JFZHXYPIGUNDSG-TZMCWYRMSA-N -1 1 386.460 0.969 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573336139 947500570 /nfs/dbraw/zinc/50/05/70/947500570.db2.gz JFZHXYPIGUNDSG-TZMCWYRMSA-N -1 1 386.460 0.969 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573336504 947506875 /nfs/dbraw/zinc/50/68/75/947506875.db2.gz ODNJBYVQWAVVPK-ZDUSSCGKSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573336504 947506887 /nfs/dbraw/zinc/50/68/87/947506887.db2.gz ODNJBYVQWAVVPK-ZDUSSCGKSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCCOCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573337126 947513388 /nfs/dbraw/zinc/51/33/88/947513388.db2.gz VBKVVGGCCYVHSI-GXTWGEPZSA-N -1 1 388.432 0.277 20 30 GCEDMM C=CCCOCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573337126 947513392 /nfs/dbraw/zinc/51/33/92/947513392.db2.gz VBKVVGGCCYVHSI-GXTWGEPZSA-N -1 1 388.432 0.277 20 30 GCEDMM C=CCOCC(=O)N[C@@H](C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573342780 947546383 /nfs/dbraw/zinc/54/63/83/947546383.db2.gz DDDLMWYDEYJXFL-ZDUSSCGKSA-N -1 1 386.460 0.889 20 30 GCEDMM C=CCOCC(=O)N[C@@H](C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573342780 947546389 /nfs/dbraw/zinc/54/63/89/947546389.db2.gz DDDLMWYDEYJXFL-ZDUSSCGKSA-N -1 1 386.460 0.889 20 30 GCEDMM COc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc(OC)c1OC ZINC000826180332 947559097 /nfs/dbraw/zinc/55/90/97/947559097.db2.gz CCULOYUAVVJLNS-UHFFFAOYSA-N -1 1 384.356 0.599 20 30 GCEDMM C=CCn1cc(C(=O)N[C@H](C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001573350285 947594421 /nfs/dbraw/zinc/59/44/21/947594421.db2.gz CFDZUCBFOJPKEB-WDEREUQCSA-N -1 1 383.420 0.443 20 30 GCEDMM C=CCn1cc(C(=O)N[C@H](C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001573350285 947594429 /nfs/dbraw/zinc/59/44/29/947594429.db2.gz CFDZUCBFOJPKEB-WDEREUQCSA-N -1 1 383.420 0.443 20 30 GCEDMM C=CCn1cc(C(=O)N[C@H](C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001573350279 947595080 /nfs/dbraw/zinc/59/50/80/947595080.db2.gz CFDZUCBFOJPKEB-GHMZBOCLSA-N -1 1 383.420 0.443 20 30 GCEDMM C=CCn1cc(C(=O)N[C@H](C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001573350279 947595088 /nfs/dbraw/zinc/59/50/88/947595088.db2.gz CFDZUCBFOJPKEB-GHMZBOCLSA-N -1 1 383.420 0.443 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573350668 947602285 /nfs/dbraw/zinc/60/22/85/947602285.db2.gz ILIBPSSIDVVMPQ-CVCQNSKGSA-N -1 1 396.455 0.864 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573350668 947602293 /nfs/dbraw/zinc/60/22/93/947602293.db2.gz ILIBPSSIDVVMPQ-CVCQNSKGSA-N -1 1 396.455 0.864 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573350935 947605979 /nfs/dbraw/zinc/60/59/79/947605979.db2.gz LPHONZJIWNNUBV-FHSNZYRGSA-N -1 1 384.444 0.898 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573350935 947605987 /nfs/dbraw/zinc/60/59/87/947605987.db2.gz LPHONZJIWNNUBV-FHSNZYRGSA-N -1 1 384.444 0.898 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573351289 947610046 /nfs/dbraw/zinc/61/00/46/947610046.db2.gz PJOJHMWVJUOQLL-XPCVCDNBSA-N -1 1 382.428 0.346 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573351289 947610050 /nfs/dbraw/zinc/61/00/50/947610050.db2.gz PJOJHMWVJUOQLL-XPCVCDNBSA-N -1 1 382.428 0.346 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573352053 947626315 /nfs/dbraw/zinc/62/63/15/947626315.db2.gz YYCLMIPWGGEDET-OLZOCXBDSA-N -1 1 386.460 0.566 20 30 GCEDMM CC#CCCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001573358746 947670911 /nfs/dbraw/zinc/67/09/11/947670911.db2.gz PRXLGXAAODEFKY-HIFRSBDPSA-N -1 1 384.444 0.215 20 30 GCEDMM CC#CCCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001573358746 947670913 /nfs/dbraw/zinc/67/09/13/947670913.db2.gz PRXLGXAAODEFKY-HIFRSBDPSA-N -1 1 384.444 0.215 20 30 GCEDMM CC#CCCCC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573358931 947673797 /nfs/dbraw/zinc/67/37/97/947673797.db2.gz RRLFHJWDSNWKOB-UHFFFAOYSA-N -1 1 384.444 0.928 20 30 GCEDMM CC#CCCCC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573358931 947673809 /nfs/dbraw/zinc/67/38/09/947673809.db2.gz RRLFHJWDSNWKOB-UHFFFAOYSA-N -1 1 384.444 0.928 20 30 GCEDMM Cc1cccc(N2CCN(C(=O)Cn3cnc(C#N)c3-c3nn[n-]n3)CC2)c1 ZINC000826298922 947865646 /nfs/dbraw/zinc/86/56/46/947865646.db2.gz KYCFCNWUCRKOIY-UHFFFAOYSA-N -1 1 377.412 0.592 20 30 GCEDMM Cc1onc(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1-c1nnn[n-]1 ZINC000826346708 948044142 /nfs/dbraw/zinc/04/41/42/948044142.db2.gz UDDXVICHTGPUAE-UHFFFAOYSA-N -1 1 393.411 0.758 20 30 GCEDMM Cc1onc(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1-c1nn[n-]n1 ZINC000826346708 948044150 /nfs/dbraw/zinc/04/41/50/948044150.db2.gz UDDXVICHTGPUAE-UHFFFAOYSA-N -1 1 393.411 0.758 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000826382920 948179690 /nfs/dbraw/zinc/17/96/90/948179690.db2.gz AUBUJRVIIKNEMI-UHFFFAOYSA-N -1 1 378.335 0.633 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000826383358 948181561 /nfs/dbraw/zinc/18/15/61/948181561.db2.gz XCDBJCFENJNLNH-UHFFFAOYSA-N -1 1 381.312 0.012 20 30 GCEDMM N#Cc1ncn(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)c1-c1nn[n-]n1 ZINC000826388235 948193448 /nfs/dbraw/zinc/19/34/48/948193448.db2.gz ODZAXUSJPFUROZ-UHFFFAOYSA-N -1 1 378.335 0.633 20 30 GCEDMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001575853263 949209982 /nfs/dbraw/zinc/20/99/82/949209982.db2.gz OGQXXXCILAKLKE-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001575853263 949210002 /nfs/dbraw/zinc/21/00/02/949210002.db2.gz OGQXXXCILAKLKE-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001575854455 949232405 /nfs/dbraw/zinc/23/24/05/949232405.db2.gz XQSFBIUYMIHTMV-UHFFFAOYSA-N -1 1 378.400 0.385 20 30 GCEDMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001573818290 949726099 /nfs/dbraw/zinc/72/60/99/949726099.db2.gz JYLOHCWHFQCZAA-LBPRGKRZSA-N -1 1 380.416 0.535 20 30 GCEDMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1cccc(C#N)c1 ZINC001575278851 949774347 /nfs/dbraw/zinc/77/43/47/949774347.db2.gz WGPRSTZYTVAYCH-JTQLQIEISA-N -1 1 380.368 0.268 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575887688 949906259 /nfs/dbraw/zinc/90/62/59/949906259.db2.gz OLGCLNFGJAREFE-GWCFXTLKSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575887688 949906277 /nfs/dbraw/zinc/90/62/77/949906277.db2.gz OLGCLNFGJAREFE-GWCFXTLKSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575889881 949937951 /nfs/dbraw/zinc/93/79/51/949937951.db2.gz UPDLCNAIDALYIQ-GWCFXTLKSA-N -1 1 378.400 0.644 20 30 GCEDMM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001573833617 950007237 /nfs/dbraw/zinc/00/72/37/950007237.db2.gz AQHRJCWBKDONML-VIFPVBQESA-N -1 1 389.445 0.738 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)[C@@H](C#N)C1 ZINC001573851961 950295624 /nfs/dbraw/zinc/29/56/24/950295624.db2.gz AUQNZXPQUNJZCZ-ONGXEEELSA-N -1 1 382.388 0.699 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@H]2CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573857018 950399372 /nfs/dbraw/zinc/39/93/72/950399372.db2.gz KWZUTSNUUXHCCS-PHIMTYICSA-N -1 1 383.416 0.831 20 30 GCEDMM CC(C)(C)OC(=O)NC[C@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001573860084 950416010 /nfs/dbraw/zinc/41/60/10/950416010.db2.gz DJLYHGKAJNVEOZ-JTQLQIEISA-N -1 1 387.404 0.258 20 30 GCEDMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575155115 952235220 /nfs/dbraw/zinc/23/52/20/952235220.db2.gz WJZIKEIOLHNMNJ-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575155115 952235226 /nfs/dbraw/zinc/23/52/26/952235226.db2.gz WJZIKEIOLHNMNJ-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1 ZINC001571135693 952606599 /nfs/dbraw/zinc/60/65/99/952606599.db2.gz BGNGALWSDKHVOA-OTYXRUKQSA-N -1 1 378.400 0.738 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1 ZINC001571135693 952606606 /nfs/dbraw/zinc/60/66/06/952606606.db2.gz BGNGALWSDKHVOA-OTYXRUKQSA-N -1 1 378.400 0.738 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571135810 952608875 /nfs/dbraw/zinc/60/88/75/952608875.db2.gz FFVOULHNTQUEBH-LLVKDONJSA-N -1 1 378.400 0.821 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571135810 952608878 /nfs/dbraw/zinc/60/88/78/952608878.db2.gz FFVOULHNTQUEBH-LLVKDONJSA-N -1 1 378.400 0.821 20 30 GCEDMM CN(C(=O)c1c[nH]c(C#N)c1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571135787 952608923 /nfs/dbraw/zinc/60/89/23/952608923.db2.gz DODCCSXJFURVQS-UHFFFAOYSA-N -1 1 378.400 0.597 20 30 GCEDMM CN(C(=O)c1c[nH]c(C#N)c1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571135787 952608925 /nfs/dbraw/zinc/60/89/25/952608925.db2.gz DODCCSXJFURVQS-UHFFFAOYSA-N -1 1 378.400 0.597 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571135811 952609050 /nfs/dbraw/zinc/60/90/50/952609050.db2.gz FFVOULHNTQUEBH-NSHDSACASA-N -1 1 378.400 0.821 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571135811 952609052 /nfs/dbraw/zinc/60/90/52/952609052.db2.gz FFVOULHNTQUEBH-NSHDSACASA-N -1 1 378.400 0.821 20 30 GCEDMM CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571135915 952609614 /nfs/dbraw/zinc/60/96/14/952609614.db2.gz HXIOIKNCUPSRKO-GFCCVEGCSA-N -1 1 378.400 0.597 20 30 GCEDMM CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571135915 952609619 /nfs/dbraw/zinc/60/96/19/952609619.db2.gz HXIOIKNCUPSRKO-GFCCVEGCSA-N -1 1 378.400 0.597 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571136043 952612039 /nfs/dbraw/zinc/61/20/39/952612039.db2.gz LDEFMLAXTBXELJ-VXGBXAGGSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571136043 952612042 /nfs/dbraw/zinc/61/20/42/952612042.db2.gz LDEFMLAXTBXELJ-VXGBXAGGSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001571136389 952614063 /nfs/dbraw/zinc/61/40/63/952614063.db2.gz OZROCRUBCKXLFL-JQWIXIFHSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001571136389 952614067 /nfs/dbraw/zinc/61/40/67/952614067.db2.gz OZROCRUBCKXLFL-JQWIXIFHSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571136437 952614350 /nfs/dbraw/zinc/61/43/50/952614350.db2.gz QIIFOEINLVJIPY-JQWIXIFHSA-N -1 1 378.400 0.099 20 30 GCEDMM CN(C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571136776 952615967 /nfs/dbraw/zinc/61/59/67/952615967.db2.gz VLJIGUDSGRMMHV-LLVKDONJSA-N -1 1 378.400 0.455 20 30 GCEDMM CN(C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571136776 952615969 /nfs/dbraw/zinc/61/59/69/952615969.db2.gz VLJIGUDSGRMMHV-LLVKDONJSA-N -1 1 378.400 0.455 20 30 GCEDMM N#Cc1ncc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1-c1nn[n-]n1 ZINC001571139641 952621345 /nfs/dbraw/zinc/62/13/45/952621345.db2.gz KFPAUBMMJZKXFT-UHFFFAOYSA-N -1 1 379.359 0.630 20 30 GCEDMM CC(C)(C#N)c1ccccc1Cn1c(=O)c(-c2nn[n-]n2)cn(CCO)c1=O ZINC001571171675 952796272 /nfs/dbraw/zinc/79/62/72/952796272.db2.gz VZFKWBCTKTVFKE-UHFFFAOYSA-N -1 1 381.396 0.032 20 30 GCEDMM N#Cc1c(NC(=O)c2cccc(F)c2-c2nnn[n-]2)[nH]nc1N1CCOCC1 ZINC001571218454 953115382 /nfs/dbraw/zinc/11/53/82/953115382.db2.gz OHSKPKVEXDGPMG-UHFFFAOYSA-N -1 1 383.347 0.689 20 30 GCEDMM N#Cc1c(NC(=O)c2cccc(F)c2-c2nn[n-]n2)[nH]nc1N1CCOCC1 ZINC001571218454 953115386 /nfs/dbraw/zinc/11/53/86/953115386.db2.gz OHSKPKVEXDGPMG-UHFFFAOYSA-N -1 1 383.347 0.689 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571223170 953142349 /nfs/dbraw/zinc/14/23/49/953142349.db2.gz PELUIMFLVZSQFU-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571223169 953142548 /nfs/dbraw/zinc/14/25/48/953142548.db2.gz PELUIMFLVZSQFU-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)nc1-c1nn[nH]n1 ZINC001571228252 953163267 /nfs/dbraw/zinc/16/32/67/953163267.db2.gz LVKCHOIGISDNRS-MNOVXSKESA-N -1 1 383.416 0.829 20 30 GCEDMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC001593698578 954090322 /nfs/dbraw/zinc/09/03/22/954090322.db2.gz CGSLNELPTGTZMO-UHFFFAOYSA-N -1 1 390.259 0.958 20 30 GCEDMM Cc1onc(CC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1C#N ZINC001594510479 955385494 /nfs/dbraw/zinc/38/54/94/955385494.db2.gz ZFAAEGPSZPPVHO-BXKDBHETSA-N -1 1 388.302 0.520 20 30 GCEDMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc(C#CCO)c1 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C#CCNS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000819701799 606649267 /nfs/dbraw/zinc/64/92/67/606649267.db2.gz NLDOKDCROZLVAK-UHFFFAOYSA-N -1 1 398.404 0.530 20 30 GCEDMM C#CCNS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000819701799 606649268 /nfs/dbraw/zinc/64/92/68/606649268.db2.gz NLDOKDCROZLVAK-UHFFFAOYSA-N -1 1 398.404 0.530 20 30 GCEDMM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000822800933 606655838 /nfs/dbraw/zinc/65/58/38/606655838.db2.gz AZYTUTFGTGXFIK-CQSZACIVSA-N -1 1 396.390 0.006 20 30 GCEDMM COC[C@@](C)(C#N)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821680584 606775373 /nfs/dbraw/zinc/77/53/73/606775373.db2.gz NOIXJZFKRYOZSW-QGZVFWFLSA-N -1 1 383.416 0.504 20 30 GCEDMM COC[C@@](C)(C#N)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821680584 606775375 /nfs/dbraw/zinc/77/53/75/606775375.db2.gz NOIXJZFKRYOZSW-QGZVFWFLSA-N -1 1 383.416 0.504 20 30 GCEDMM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820804147 606818444 /nfs/dbraw/zinc/81/84/44/606818444.db2.gz NEMCNLMLTJEHIZ-LLVKDONJSA-N -1 1 376.384 0.274 20 30 GCEDMM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820804147 606818445 /nfs/dbraw/zinc/81/84/45/606818445.db2.gz NEMCNLMLTJEHIZ-LLVKDONJSA-N -1 1 376.384 0.274 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000819709276 606819601 /nfs/dbraw/zinc/81/96/01/606819601.db2.gz ANQTYTJCGRQTNO-GFCCVEGCSA-N -1 1 375.396 0.384 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000819709276 606819603 /nfs/dbraw/zinc/81/96/03/606819603.db2.gz ANQTYTJCGRQTNO-GFCCVEGCSA-N -1 1 375.396 0.384 20 30 GCEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1nn(C)cc1C#N ZINC000820788797 606835846 /nfs/dbraw/zinc/83/58/46/606835846.db2.gz OMCQVWFWYLBRCK-JTQLQIEISA-N -1 1 394.403 0.004 20 30 GCEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1nn(C)cc1C#N ZINC000820788797 606835848 /nfs/dbraw/zinc/83/58/48/606835848.db2.gz OMCQVWFWYLBRCK-JTQLQIEISA-N -1 1 394.403 0.004 20 30 GCEDMM Cc1nn(CCS(=O)(=O)c2cccc(C#N)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334728 607814834 /nfs/dbraw/zinc/81/48/34/607814834.db2.gz HJWJAKJOJZVSKN-UHFFFAOYSA-N -1 1 385.409 0.386 20 30 GCEDMM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1C ZINC000826272370 608011722 /nfs/dbraw/zinc/01/17/22/608011722.db2.gz GDWNEDRRMUAKMK-UHFFFAOYSA-N -1 1 386.397 0.734 20 30 GCEDMM N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2ccnc2-c2nnn[n-]2)CC1 ZINC000826380074 608012896 /nfs/dbraw/zinc/01/28/96/608012896.db2.gz MABYWCXJBQXUKY-HNNXBMFYSA-N -1 1 377.412 0.472 20 30 GCEDMM N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2ccnc2-c2nn[n-]n2)CC1 ZINC000826380074 608012897 /nfs/dbraw/zinc/01/28/97/608012897.db2.gz MABYWCXJBQXUKY-HNNXBMFYSA-N -1 1 377.412 0.472 20 30 GCEDMM Cc1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)nn1-c1nc(C)cc(C)n1 ZINC000826265480 608116797 /nfs/dbraw/zinc/11/67/97/608116797.db2.gz ANKODSBANPVXJD-UHFFFAOYSA-N -1 1 390.371 0.615 20 30 GCEDMM C=CCCOCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000823899406 608357263 /nfs/dbraw/zinc/35/72/63/608357263.db2.gz VNUIUUILJOJYBE-UHFFFAOYSA-N -1 1 376.421 0.466 20 30 GCEDMM C=CCCOCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000823899406 608357264 /nfs/dbraw/zinc/35/72/64/608357264.db2.gz VNUIUUILJOJYBE-UHFFFAOYSA-N -1 1 376.421 0.466 20 30 GCEDMM N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826386241 608392012 /nfs/dbraw/zinc/39/20/12/608392012.db2.gz VTICGHREQIDNEH-UHFFFAOYSA-N -1 1 397.424 0.039 20 30 GCEDMM N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826386241 608392014 /nfs/dbraw/zinc/39/20/14/608392014.db2.gz VTICGHREQIDNEH-UHFFFAOYSA-N -1 1 397.424 0.039 20 30 GCEDMM Cc1cc(N2C[C@@H](C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)CC2=O)ccc1F ZINC000826269381 609146721 /nfs/dbraw/zinc/14/67/21/609146721.db2.gz JWDPWBXHTQZPMS-VIFPVBQESA-N -1 1 395.358 0.901 20 30 GCEDMM COc1cc(NC(=O)CCn2cnc(-c3nn[n-]n3)c2C#N)cc(OC)c1OC ZINC000826180713 609187083 /nfs/dbraw/zinc/18/70/83/609187083.db2.gz TWNKWHVAVRUMST-UHFFFAOYSA-N -1 1 398.383 0.989 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000825923657 609257330 /nfs/dbraw/zinc/25/73/30/609257330.db2.gz QDAKUCAYTRKVNA-CQSZACIVSA-N -1 1 381.400 0.168 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000825923657 609257332 /nfs/dbraw/zinc/25/73/32/609257332.db2.gz QDAKUCAYTRKVNA-CQSZACIVSA-N -1 1 381.400 0.168 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC#Cc1ccccc1 ZINC000825929570 609299214 /nfs/dbraw/zinc/29/92/14/609299214.db2.gz INRLCULKXHUUHW-UHFFFAOYSA-N -1 1 379.428 0.798 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC#Cc1ccccc1 ZINC000825929570 609299215 /nfs/dbraw/zinc/29/92/15/609299215.db2.gz INRLCULKXHUUHW-UHFFFAOYSA-N -1 1 379.428 0.798 20 30 GCEDMM O=C(NCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F)C1N=CC=CC1=O ZINC000735080846 640012872 /nfs/dbraw/zinc/01/28/72/640012872.db2.gz JALLMAWARZBYTB-YPKPFQOOSA-N -1 1 375.328 0.909 20 30 GCEDMM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)cc2[nH]c1=S ZINC000793205866 641466719 /nfs/dbraw/zinc/46/67/19/641466719.db2.gz RPGCBVRATYOAKA-UHFFFAOYSA-N -1 1 378.435 0.586 20 30 GCEDMM C#C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)cc1F ZINC000796089246 641534256 /nfs/dbraw/zinc/53/42/56/641534256.db2.gz OZGDZNYFAVTVCA-LBPRGKRZSA-N -1 1 385.804 0.529 20 30 GCEDMM N#Cc1ncn(CC[N-]S(=O)(=O)c2cc(Br)cnc2Cl)n1 ZINC000796144212 641536608 /nfs/dbraw/zinc/53/66/08/641536608.db2.gz SQZVRGJARDIYPU-UHFFFAOYSA-N -1 1 391.638 0.939 20 30 GCEDMM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000798485687 641587336 /nfs/dbraw/zinc/58/73/36/641587336.db2.gz IXOYJYSAHJKJHP-MRVPVSSYSA-N -1 1 380.216 0.881 20 30 GCEDMM CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000811824848 641762207 /nfs/dbraw/zinc/76/22/07/641762207.db2.gz XEZNYASBGSLWAQ-UHFFFAOYSA-N -1 1 380.407 0.579 20 30 GCEDMM CC(C)(C)OC(=O)NCC(F)(F)C[N-]S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000800115572 641767861 /nfs/dbraw/zinc/76/78/61/641767861.db2.gz GTNYQNSQFWRFOV-SNVBAGLBSA-N -1 1 384.405 0.205 20 30 GCEDMM C#CC[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)OC ZINC000841539927 642308432 /nfs/dbraw/zinc/30/84/32/642308432.db2.gz HGLFIYIOCGAPBY-NSHDSACASA-N -1 1 378.403 0.040 20 30 GCEDMM C#C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000867339341 642387941 /nfs/dbraw/zinc/38/79/41/642387941.db2.gz GVIJBNIDVHSORV-ZETCQYMHSA-N -1 1 380.191 0.647 20 30 GCEDMM C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1 ZINC000848960581 642582075 /nfs/dbraw/zinc/58/20/75/642582075.db2.gz KLTDJUCGOPJPRO-UHFFFAOYSA-N -1 1 384.483 0.758 20 30 GCEDMM C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(C)c1C ZINC000848961281 642584921 /nfs/dbraw/zinc/58/49/21/642584921.db2.gz WGFJFDJYTOXYLY-UHFFFAOYSA-N -1 1 376.504 0.832 20 30 GCEDMM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(N(C)C)n1 ZINC000848961197 642585079 /nfs/dbraw/zinc/58/50/79/642585079.db2.gz SBZLGSXREFDJBG-CYBMUJFWSA-N -1 1 388.515 0.563 20 30 GCEDMM C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000848962660 642590494 /nfs/dbraw/zinc/59/04/94/642590494.db2.gz MQCXTYBKTRMABE-NSHDSACASA-N -1 1 378.451 0.774 20 30 GCEDMM C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000848962659 642590621 /nfs/dbraw/zinc/59/06/21/642590621.db2.gz MQCXTYBKTRMABE-LLVKDONJSA-N -1 1 378.451 0.774 20 30 GCEDMM C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000848968276 642614720 /nfs/dbraw/zinc/61/47/20/642614720.db2.gz WEAIVRKTWWLUPE-JTQLQIEISA-N -1 1 380.879 0.946 20 30 GCEDMM N#CCc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2C=CCC2)c1 ZINC000852904003 642777683 /nfs/dbraw/zinc/77/76/83/642777683.db2.gz FSYIOJVJVSLVDX-AWEZNQCLSA-N -1 1 384.483 0.917 20 30 GCEDMM C#CC[C@H](CCOC)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000859426791 643011861 /nfs/dbraw/zinc/01/18/61/643011861.db2.gz XTNSBJKSVISHBN-LLVKDONJSA-N -1 1 378.447 0.904 20 30 GCEDMM C=CCS(=O)(=O)CCNC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000278980470 1192427306 /nfs/dbraw/zinc/42/73/06/1192427306.db2.gz CSXNJMDUAMNQOO-UHFFFAOYSA-N -1 1 399.473 0.471 20 30 GCEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCNC(=O)C2N=CC=CC2=O)o1 ZINC000748061546 1184149209 /nfs/dbraw/zinc/14/92/09/1184149209.db2.gz RCNDSKMTVPQIBO-YPKPFQOOSA-N -1 1 383.382 0.261 20 30 GCEDMM C[C@H](CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1nn[n-]n1 ZINC000274737112 1184234532 /nfs/dbraw/zinc/23/45/32/1184234532.db2.gz DUSNIIKWFCAPOA-MNOVXSKESA-N -1 1 377.430 0.000 20 30 GCEDMM C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000784929913 1184250348 /nfs/dbraw/zinc/25/03/48/1184250348.db2.gz VCJPODBDEOYNQW-UHFFFAOYSA-N -1 1 377.422 0.490 20 30 GCEDMM C[C@@H](CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nn[n-]n1 ZINC000274777309 1184298196 /nfs/dbraw/zinc/29/81/96/1184298196.db2.gz NAYBTNASQOGULY-QWRGUYRKSA-N -1 1 377.430 0.000 20 30 GCEDMM C[C@H](CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nn[n-]n1 ZINC000274777304 1184298267 /nfs/dbraw/zinc/29/82/67/1184298267.db2.gz NAYBTNASQOGULY-GHMZBOCLSA-N -1 1 377.430 0.000 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1 ZINC000579973059 1184864292 /nfs/dbraw/zinc/86/42/92/1184864292.db2.gz TXQCBIAZJFANPN-KGLIPLIRSA-N -1 1 398.466 0.832 20 30 GCEDMM C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000580789041 1185361994 /nfs/dbraw/zinc/36/19/94/1185361994.db2.gz YCUSGUMQDFOEHA-HOTGVXAUSA-N -1 1 393.465 0.524 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1[O-] ZINC000408434283 1185421162 /nfs/dbraw/zinc/42/11/62/1185421162.db2.gz YFBGSEPTLRIGPY-OAHLLOKOSA-N -1 1 379.438 0.530 20 30 GCEDMM COc1cc(C#N)ccc1OCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538952285 1186334677 /nfs/dbraw/zinc/33/46/77/1186334677.db2.gz HIZRAWMOBHYGOH-UHFFFAOYSA-N -1 1 377.378 0.937 20 30 GCEDMM N#Cc1cn(CCNC(=O)c2cccc(Br)c2O)c(=O)[n-]c1=O ZINC001167523746 1186369718 /nfs/dbraw/zinc/36/97/18/1186369718.db2.gz QUBAYHYAPCBILT-UHFFFAOYSA-N -1 1 379.170 0.719 20 30 GCEDMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)n1 ZINC000583575550 1186891268 /nfs/dbraw/zinc/89/12/68/1186891268.db2.gz KATTZDGWEUEOMJ-SNVBAGLBSA-N -1 1 399.454 0.562 20 30 GCEDMM Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)C2)n1 ZINC000472516820 1187682355 /nfs/dbraw/zinc/68/23/55/1187682355.db2.gz LNORTBNLQSZJHQ-GFCCVEGCSA-N -1 1 389.441 0.638 20 30 GCEDMM Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)C2)n1 ZINC000472516820 1187682358 /nfs/dbraw/zinc/68/23/58/1187682358.db2.gz LNORTBNLQSZJHQ-GFCCVEGCSA-N -1 1 389.441 0.638 20 30 GCEDMM C=CCOC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)OC ZINC000435942772 1194973661 /nfs/dbraw/zinc/97/36/61/1194973661.db2.gz NZWNEVRGSXDGBV-OAHLLOKOSA-N -1 1 386.408 0.543 20 30 GCEDMM COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1[N-]S(C)(=O)=O ZINC000425808769 1195113183 /nfs/dbraw/zinc/11/31/83/1195113183.db2.gz VPLRVQZCUSPVMY-WDEREUQCSA-N -1 1 380.426 0.814 20 30 GCEDMM 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1196036045 /nfs/dbraw/zinc/03/60/45/1196036045.db2.gz UMLNBKXRQIYSIB-UHFFFAOYSA-N -1 1 376.394 0.540 20 30 GCEDMM COc1ccc(NC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cc1[N-]S(C)(=O)=O ZINC000329937127 1196240582 /nfs/dbraw/zinc/24/05/82/1196240582.db2.gz RYOFWCZJKWNEDL-UKRRQHHQSA-N -1 1 384.458 0.627 20 30 GCEDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)n1 ZINC000444906933 1196530158 /nfs/dbraw/zinc/53/01/58/1196530158.db2.gz YCMLYMXZYUPRLY-UHFFFAOYSA-N -1 1 386.416 1.503 20 30 GCEDMM C=CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000469963637 1196581154 /nfs/dbraw/zinc/58/11/54/1196581154.db2.gz PHZOLGPMYFDRIT-UHFFFAOYSA-N -1 1 393.421 0.538 20 30 GCEDMM N#CCc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)c1 ZINC000349599552 1197260735 /nfs/dbraw/zinc/26/07/35/1197260735.db2.gz KBGUPFOLEYLLCG-UHFFFAOYSA-N -1 1 397.482 0.455 20 30 GCEDMM O=C(NCC#CCNC(=O)C(=O)c1ccc(O)cc1)C(=O)c1ccc([O-])cc1 ZINC000673064439 1199404799 /nfs/dbraw/zinc/40/47/99/1199404799.db2.gz YOFVXTMGNCEDGG-UHFFFAOYSA-N 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/nfs/dbraw/zinc/76/38/60/1205763860.db2.gz KRPVWPHMXRJZGN-JOYOIKCWSA-N -1 1 378.391 0.057 20 30 GCEDMM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001177182386 1205763967 /nfs/dbraw/zinc/76/39/67/1205763967.db2.gz KRPVWPHMXRJZGN-CABZTGNLSA-N -1 1 378.391 0.057 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N([O-])C(=N)c2nonc2N)[C@H](O)C1 ZINC001179049974 1205800000 /nfs/dbraw/zinc/80/00/00/1205800000.db2.gz BIJGGMOSHJUZKZ-ANRSDYALSA-N -1 1 384.393 0.203 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N([O-])C(=N)c3nonc3N)[C@H]2C1 ZINC001179365040 1205809021 /nfs/dbraw/zinc/80/90/21/1205809021.db2.gz HTMYVTWTBCJVLA-HRDYMLBCSA-N -1 1 382.377 0.077 20 30 GCEDMM N=C(c1nonc1N)N([O-])C(=O)[C@H]1C[C@]12c1ccccc1N(CC1CC1)C2=O ZINC001179716950 1205813744 /nfs/dbraw/zinc/81/37/44/1205813744.db2.gz HSLIWLODKHQRIK-ZMZPIMSZSA-N -1 1 382.380 0.909 20 30 GCEDMM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)N([O-])C(=N)c2nonc2N)C1 ZINC001182270188 1205862195 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1 390.411 0.645 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)c1 ZINC001571295923 946179121 /nfs/dbraw/zinc/17/91/21/946179121.db2.gz JNHXLYBVFUGXDO-AWEZNQCLSA-N -1 1 390.411 0.645 20 30 GCEDMM N#Cc1c[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)c1 ZINC001571296088 946185490 /nfs/dbraw/zinc/18/54/90/946185490.db2.gz NIJSHEIKXBWWMA-YHWZYXNKSA-N -1 1 390.411 0.786 20 30 GCEDMM N#Cc1c[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)c1 ZINC001571296088 946185499 /nfs/dbraw/zinc/18/54/99/946185499.db2.gz NIJSHEIKXBWWMA-YHWZYXNKSA-N -1 1 390.411 0.786 20 30 GCEDMM N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)[nH]1 ZINC001571296265 946189039 /nfs/dbraw/zinc/18/90/39/946189039.db2.gz SGIXMSAQDBGPBH-OLZOCXBDSA-N -1 1 390.411 0.740 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nnn[n-]4)nn2)C3)[nH]1 ZINC001571296319 946191458 /nfs/dbraw/zinc/19/14/58/946191458.db2.gz UTUXCKNZIIHPSF-VOJFVSQTSA-N -1 1 390.411 0.645 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nn[n-]n4)nn2)C3)[nH]1 ZINC001571296319 946191469 /nfs/dbraw/zinc/19/14/69/946191469.db2.gz UTUXCKNZIIHPSF-VOJFVSQTSA-N -1 1 390.411 0.645 20 30 GCEDMM N#Cc1[n-]c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)nc1-c1nn[nH]n1 ZINC001571308899 946437513 /nfs/dbraw/zinc/43/75/13/946437513.db2.gz VAQCLKWUUNRWIW-UHFFFAOYSA-N -1 1 392.305 0.804 20 30 GCEDMM Cn1cc([C@@H]2CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC23CCOCC3)cn1 ZINC001571312615 946496794 /nfs/dbraw/zinc/49/67/94/946496794.db2.gz IXDHEVBCEOXKAB-ZDUSSCGKSA-N -1 1 392.427 0.662 20 30 GCEDMM Cn1cc([C@@H]2CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC23CCOCC3)cn1 ZINC001571312615 946496801 /nfs/dbraw/zinc/49/68/01/946496801.db2.gz IXDHEVBCEOXKAB-ZDUSSCGKSA-N -1 1 392.427 0.662 20 30 GCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001571312847 946502836 /nfs/dbraw/zinc/50/28/36/946502836.db2.gz LDIITRCPNZPJTP-GFCCVEGCSA-N -1 1 392.427 0.818 20 30 GCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001571312847 946502847 /nfs/dbraw/zinc/50/28/47/946502847.db2.gz LDIITRCPNZPJTP-GFCCVEGCSA-N -1 1 392.427 0.818 20 30 GCEDMM CN(C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571313408 946521111 /nfs/dbraw/zinc/52/11/11/946521111.db2.gz QSZQDCJUVMSRRB-LBPRGKRZSA-N -1 1 392.427 0.845 20 30 GCEDMM CN(C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571313408 946521119 /nfs/dbraw/zinc/52/11/19/946521119.db2.gz QSZQDCJUVMSRRB-LBPRGKRZSA-N -1 1 392.427 0.845 20 30 GCEDMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001571313606 946527856 /nfs/dbraw/zinc/52/78/56/946527856.db2.gz UKJWWKODWJLVQI-CQSZACIVSA-N -1 1 392.427 0.891 20 30 GCEDMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001571313606 946527865 /nfs/dbraw/zinc/52/78/65/946527865.db2.gz UKJWWKODWJLVQI-CQSZACIVSA-N -1 1 392.427 0.891 20 30 GCEDMM C#CCCCCC(=O)N[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@H]1OC ZINC001573283028 946704543 /nfs/dbraw/zinc/70/45/43/946704543.db2.gz QPPJREOXBZYDTG-HUUCEWRRSA-N -1 1 398.471 0.733 20 30 GCEDMM C#CCCCCC(=O)N[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@H]1OC ZINC001573283028 946704550 /nfs/dbraw/zinc/70/45/50/946704550.db2.gz QPPJREOXBZYDTG-HUUCEWRRSA-N -1 1 398.471 0.733 20 30 GCEDMM C#CCCCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573283932 946730756 /nfs/dbraw/zinc/73/07/56/946730756.db2.gz OFUIRWNRJHPYMO-DZGCQCFKSA-N -1 1 384.444 0.878 20 30 GCEDMM C#CCCCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573283932 946730762 /nfs/dbraw/zinc/73/07/62/946730762.db2.gz OFUIRWNRJHPYMO-DZGCQCFKSA-N -1 1 384.444 0.878 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CCC(N(C)c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573285247 946774249 /nfs/dbraw/zinc/77/42/49/946774249.db2.gz FZSFITASYZGJTO-CYBMUJFWSA-N -1 1 384.444 0.431 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CCC(N(C)c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573285247 946774252 /nfs/dbraw/zinc/77/42/52/946774252.db2.gz FZSFITASYZGJTO-CYBMUJFWSA-N -1 1 384.444 0.431 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573285453 946778179 /nfs/dbraw/zinc/77/81/79/946778179.db2.gz IJUIVKINUHVWFX-CHWSQXEVSA-N -1 1 384.444 0.295 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573285453 946778184 /nfs/dbraw/zinc/77/81/84/946778184.db2.gz IJUIVKINUHVWFX-CHWSQXEVSA-N -1 1 384.444 0.295 20 30 GCEDMM C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001573285748 946786880 /nfs/dbraw/zinc/78/68/80/946786880.db2.gz MUZGSDZKCWNWGK-UHFFFAOYSA-N -1 1 381.444 0.978 20 30 GCEDMM C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001573285748 946786884 /nfs/dbraw/zinc/78/68/84/946786884.db2.gz MUZGSDZKCWNWGK-UHFFFAOYSA-N -1 1 381.444 0.978 20 30 GCEDMM C#CCOCCC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573286408 946806010 /nfs/dbraw/zinc/80/60/10/946806010.db2.gz AVZKBBDPYOGSFJ-KBPBESRZSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCOCCC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573286408 946806018 /nfs/dbraw/zinc/80/60/18/946806018.db2.gz AVZKBBDPYOGSFJ-KBPBESRZSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCOCCC(=O)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573286393 946806375 /nfs/dbraw/zinc/80/63/75/946806375.db2.gz AKQCFHTWLMAVAU-UHFFFAOYSA-N -1 1 382.428 0.536 20 30 GCEDMM C#CCOCCC(=O)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573286393 946806385 /nfs/dbraw/zinc/80/63/85/946806385.db2.gz AKQCFHTWLMAVAU-UHFFFAOYSA-N -1 1 382.428 0.536 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573286584 946810763 /nfs/dbraw/zinc/81/07/63/946810763.db2.gz FKCYMGCEUBSJGP-BFHYXJOUSA-N -1 1 384.444 0.843 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573286584 946810774 /nfs/dbraw/zinc/81/07/74/946810774.db2.gz FKCYMGCEUBSJGP-BFHYXJOUSA-N -1 1 384.444 0.843 20 30 GCEDMM C#CCOCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573286529 946812864 /nfs/dbraw/zinc/81/28/64/946812864.db2.gz DBCMTYCBTCVJSH-MJBXVCDLSA-N -1 1 382.428 0.170 20 30 GCEDMM C#CCOCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573286529 946812874 /nfs/dbraw/zinc/81/28/74/946812874.db2.gz DBCMTYCBTCVJSH-MJBXVCDLSA-N -1 1 382.428 0.170 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573287050 946825900 /nfs/dbraw/zinc/82/59/00/946825900.db2.gz LAYRTWIDPYPNBY-IHRRRGAJSA-N -1 1 384.444 0.204 20 30 GCEDMM C#CCOCCC(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573287154 946830690 /nfs/dbraw/zinc/83/06/90/946830690.db2.gz LZJZSSRNLHLBOB-AWEZNQCLSA-N -1 1 384.444 0.514 20 30 GCEDMM C#CCOCCC(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573287154 946830699 /nfs/dbraw/zinc/83/06/99/946830699.db2.gz LZJZSSRNLHLBOB-AWEZNQCLSA-N -1 1 384.444 0.514 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001573287493 946837502 /nfs/dbraw/zinc/83/75/02/946837502.db2.gz ISNACDXBPWZZSI-GOSISDBHSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)nc1 ZINC001573287602 946844461 /nfs/dbraw/zinc/84/44/61/946844461.db2.gz JYWYEVZEEGEGDO-YPMHNXCESA-N -1 1 375.396 0.748 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)nc1 ZINC001573287602 946844471 /nfs/dbraw/zinc/84/44/71/946844471.db2.gz JYWYEVZEEGEGDO-YPMHNXCESA-N -1 1 375.396 0.748 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573287875 946849320 /nfs/dbraw/zinc/84/93/20/946849320.db2.gz LTLRWJSMXBDKMP-IUODEOHRSA-N -1 1 389.423 0.466 20 30 GCEDMM C#CCOCCC(=O)NCCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573288081 946855515 /nfs/dbraw/zinc/85/55/15/946855515.db2.gz IGRSDNSKKQMQLW-UHFFFAOYSA-N -1 1 382.428 0.339 20 30 GCEDMM C#CCOCCC(=O)NCCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573288081 946855524 /nfs/dbraw/zinc/85/55/24/946855524.db2.gz IGRSDNSKKQMQLW-UHFFFAOYSA-N -1 1 382.428 0.339 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573288122 946858079 /nfs/dbraw/zinc/85/80/79/946858079.db2.gz NWPSHISUQJMTCB-ZDUSSCGKSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573288122 946858093 /nfs/dbraw/zinc/85/80/93/946858093.db2.gz NWPSHISUQJMTCB-ZDUSSCGKSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C2CC2)cn1 ZINC001573288181 946859736 /nfs/dbraw/zinc/85/97/36/946859736.db2.gz PSKXBNHBJZCRKR-INIZCTEOSA-N -1 1 389.423 0.962 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C2CC2)cn1 ZINC001573288181 946859746 /nfs/dbraw/zinc/85/97/46/946859746.db2.gz PSKXBNHBJZCRKR-INIZCTEOSA-N -1 1 389.423 0.962 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C2CC2)cn1 ZINC001573288193 946860450 /nfs/dbraw/zinc/86/04/50/946860450.db2.gz PSKXBNHBJZCRKR-MRXNPFEDSA-N -1 1 389.423 0.962 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C2CC2)cn1 ZINC001573288193 946860457 /nfs/dbraw/zinc/86/04/57/946860457.db2.gz PSKXBNHBJZCRKR-MRXNPFEDSA-N -1 1 389.423 0.962 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573288298 946863712 /nfs/dbraw/zinc/86/37/12/946863712.db2.gz UFRGSJKUWAWJHP-HIFRSBDPSA-N -1 1 382.428 0.124 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573288298 946863726 /nfs/dbraw/zinc/86/37/26/946863726.db2.gz UFRGSJKUWAWJHP-HIFRSBDPSA-N -1 1 382.428 0.124 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001573288451 946868034 /nfs/dbraw/zinc/86/80/34/946868034.db2.gz LGJUYXLBGXABHY-AWEZNQCLSA-N -1 1 375.396 0.384 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001573288451 946868046 /nfs/dbraw/zinc/86/80/46/946868046.db2.gz LGJUYXLBGXABHY-AWEZNQCLSA-N -1 1 375.396 0.384 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)CCCN(C)c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001573288576 946870434 /nfs/dbraw/zinc/87/04/34/946870434.db2.gz MXIQSRXUMHAJQO-UHFFFAOYSA-N -1 1 377.412 0.632 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)CCCN(C)c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001573288576 946870452 /nfs/dbraw/zinc/87/04/52/946870452.db2.gz MXIQSRXUMHAJQO-UHFFFAOYSA-N -1 1 377.412 0.632 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001573288530 946871560 /nfs/dbraw/zinc/87/15/60/946871560.db2.gz RKOLQZCBTDNCMX-CQSZACIVSA-N -1 1 375.396 0.350 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573288530 946871569 /nfs/dbraw/zinc/87/15/69/946871569.db2.gz RKOLQZCBTDNCMX-CQSZACIVSA-N -1 1 375.396 0.350 20 30 GCEDMM C#CCOCCC(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573288984 946880707 /nfs/dbraw/zinc/88/07/07/946880707.db2.gz ZSCKLEJKVXJURT-UHFFFAOYSA-N -1 1 384.444 0.419 20 30 GCEDMM C#CCOCCC(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573288984 946880716 /nfs/dbraw/zinc/88/07/16/946880716.db2.gz ZSCKLEJKVXJURT-UHFFFAOYSA-N -1 1 384.444 0.419 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573289163 946882008 /nfs/dbraw/zinc/88/20/08/946882008.db2.gz WWKYOWLDNFCBSK-AWEZNQCLSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573289163 946882021 /nfs/dbraw/zinc/88/20/21/946882021.db2.gz WWKYOWLDNFCBSK-AWEZNQCLSA-N -1 1 389.423 0.774 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001573289582 946890099 /nfs/dbraw/zinc/89/00/99/946890099.db2.gz OCHILDVLJINPIJ-UHFFFAOYSA-N -1 1 389.423 0.774 20 30 GCEDMM C#CCOc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573290280 946900765 /nfs/dbraw/zinc/90/07/65/946900765.db2.gz VBOSOXYMFGDQLP-QWHCGFSZSA-N -1 1 392.423 0.710 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001573291593 946921548 /nfs/dbraw/zinc/92/15/48/946921548.db2.gz GDSYEIBYJVJXIN-MRXNPFEDSA-N -1 1 389.423 0.962 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001573291593 946921556 /nfs/dbraw/zinc/92/15/56/946921556.db2.gz GDSYEIBYJVJXIN-MRXNPFEDSA-N -1 1 389.423 0.962 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001573292041 946926702 /nfs/dbraw/zinc/92/67/02/946926702.db2.gz NFCMRPYUQBGBKP-AWEZNQCLSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001573292041 946926712 /nfs/dbraw/zinc/92/67/12/946926712.db2.gz NFCMRPYUQBGBKP-AWEZNQCLSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)c1 ZINC001573292026 946926909 /nfs/dbraw/zinc/92/69/09/946926909.db2.gz MUXGYOLHAXGPIQ-HNNXBMFYSA-N -1 1 389.423 0.678 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)c1 ZINC001573292026 946926916 /nfs/dbraw/zinc/92/69/16/946926916.db2.gz MUXGYOLHAXGPIQ-HNNXBMFYSA-N -1 1 389.423 0.678 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)c1 ZINC001573292205 946928236 /nfs/dbraw/zinc/92/82/36/946928236.db2.gz PNEWNIUYZFSZIY-XJKSGUPXSA-N -1 1 387.407 0.384 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)c1 ZINC001573292205 946928242 /nfs/dbraw/zinc/92/82/42/946928242.db2.gz PNEWNIUYZFSZIY-XJKSGUPXSA-N -1 1 387.407 0.384 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)c1 ZINC001573292130 946928901 /nfs/dbraw/zinc/92/89/01/946928901.db2.gz OXTYPNWXBADEON-OAHLLOKOSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)c1 ZINC001573292130 946928910 /nfs/dbraw/zinc/92/89/10/946928910.db2.gz OXTYPNWXBADEON-OAHLLOKOSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1cncc(C(=O)NCCCNc2cc(-c3nnn[n-]3)nc(CC)n2)c1 ZINC001573292120 946928922 /nfs/dbraw/zinc/92/89/22/946928922.db2.gz OVXVKNALUYOECE-UHFFFAOYSA-N -1 1 377.412 0.827 20 30 GCEDMM C#Cc1cncc(C(=O)NCCCNc2cc(-c3nn[n-]n3)nc(CC)n2)c1 ZINC001573292120 946928934 /nfs/dbraw/zinc/92/89/34/946928934.db2.gz OVXVKNALUYOECE-UHFFFAOYSA-N -1 1 377.412 0.827 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001573292328 946934481 /nfs/dbraw/zinc/93/44/81/946934481.db2.gz TZHJPHDYECGEET-SMDDNHRTSA-N -1 1 375.396 0.170 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001573292503 946935473 /nfs/dbraw/zinc/93/54/73/946935473.db2.gz WPLSNIQLHBVAOF-IUODEOHRSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001573292503 946935477 /nfs/dbraw/zinc/93/54/77/946935477.db2.gz WPLSNIQLHBVAOF-IUODEOHRSA-N -1 1 389.423 0.820 20 30 GCEDMM C=C(C)[C@@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)OCC ZINC001573293082 946946639 /nfs/dbraw/zinc/94/66/39/946946639.db2.gz LWQHBTTVBMIMOW-DZGCQCFKSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C(C)[C@@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)OCC ZINC001573293082 946946647 /nfs/dbraw/zinc/94/66/47/946946647.db2.gz LWQHBTTVBMIMOW-DZGCQCFKSA-N -1 1 386.460 0.971 20 30 GCEDMM C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573561732 946966796 /nfs/dbraw/zinc/96/67/96/946966796.db2.gz MNAHWALVNBPVCV-YUMQZZPRSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573561732 946966805 /nfs/dbraw/zinc/96/68/05/946966805.db2.gz MNAHWALVNBPVCV-YUMQZZPRSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573565185 947003018 /nfs/dbraw/zinc/00/30/18/947003018.db2.gz OINCCWAETUOHRZ-JSGCOSHPSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573565185 947003029 /nfs/dbraw/zinc/00/30/29/947003029.db2.gz OINCCWAETUOHRZ-JSGCOSHPSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCOC2(CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001573569516 947070162 /nfs/dbraw/zinc/07/01/62/947070162.db2.gz AIDUCIFSYQEHCH-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCOC2(CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001573569516 947070175 /nfs/dbraw/zinc/07/01/75/947070175.db2.gz AIDUCIFSYQEHCH-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCOC2(CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573569552 947072770 /nfs/dbraw/zinc/07/27/70/947072770.db2.gz BAIANQXBQUHKFQ-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCOC2(CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573569552 947072776 /nfs/dbraw/zinc/07/27/76/947072776.db2.gz BAIANQXBQUHKFQ-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N(CC)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573300658 947117725 /nfs/dbraw/zinc/11/77/25/947117725.db2.gz RONUKFNCFZIADU-AWEZNQCLSA-N -1 1 387.448 0.388 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N(CC)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573300658 947117734 /nfs/dbraw/zinc/11/77/34/947117734.db2.gz RONUKFNCFZIADU-AWEZNQCLSA-N -1 1 387.448 0.388 20 30 GCEDMM C=CC(C)(C)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573305153 947149947 /nfs/dbraw/zinc/14/99/47/947149947.db2.gz MQFXMNQPLPBWTF-SFHVURJKSA-N -1 1 386.460 0.707 20 30 GCEDMM C=CC(C)(C)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573305153 947149953 /nfs/dbraw/zinc/14/99/53/947149953.db2.gz MQFXMNQPLPBWTF-SFHVURJKSA-N -1 1 386.460 0.707 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573577402 947166287 /nfs/dbraw/zinc/16/62/87/947166287.db2.gz OYVCLSWZWXUUHN-XSPKLOCKSA-N -1 1 378.849 0.935 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573577402 947166292 /nfs/dbraw/zinc/16/62/92/947166292.db2.gz OYVCLSWZWXUUHN-XSPKLOCKSA-N -1 1 378.849 0.935 20 30 GCEDMM C=C[C@](C)(O)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573308988 947188533 /nfs/dbraw/zinc/18/85/33/947188533.db2.gz ASYPVBQDZISUKK-WCMHJXIUSA-N -1 1 384.444 0.600 20 30 GCEDMM C=C[C@](C)(O)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573308988 947188540 /nfs/dbraw/zinc/18/85/40/947188540.db2.gz ASYPVBQDZISUKK-WCMHJXIUSA-N -1 1 384.444 0.600 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573309126 947192054 /nfs/dbraw/zinc/19/20/54/947192054.db2.gz CUGRQTPTWDVTNW-CLAHSXSESA-N -1 1 383.865 0.999 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573309129 947192316 /nfs/dbraw/zinc/19/23/16/947192316.db2.gz CUGRQTPTWDVTNW-XLKFXECMSA-N -1 1 383.865 0.999 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573309288 947195667 /nfs/dbraw/zinc/19/56/67/947195667.db2.gz GLNYQIMWHUFXSX-VBHSOAQHSA-N -1 1 384.444 0.554 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573309288 947195670 /nfs/dbraw/zinc/19/56/70/947195670.db2.gz GLNYQIMWHUFXSX-VBHSOAQHSA-N -1 1 384.444 0.554 20 30 GCEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573309542 947202700 /nfs/dbraw/zinc/20/27/00/947202700.db2.gz KJOMASDVXZTQTR-VFVRVIDISA-N -1 1 386.460 0.562 20 30 GCEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573309542 947202710 /nfs/dbraw/zinc/20/27/10/947202710.db2.gz KJOMASDVXZTQTR-VFVRVIDISA-N -1 1 386.460 0.562 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573584287 947215480 /nfs/dbraw/zinc/21/54/80/947215480.db2.gz SQMFRRTZBNRUFV-VHSXEESVSA-N -1 1 377.359 0.394 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N(CCC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573310101 947217918 /nfs/dbraw/zinc/21/79/18/947217918.db2.gz UASAZPKKYXDDOD-ACJLOTCBSA-N -1 1 386.460 0.801 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N(CCC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573310101 947217924 /nfs/dbraw/zinc/21/79/24/947217924.db2.gz UASAZPKKYXDDOD-ACJLOTCBSA-N -1 1 386.460 0.801 20 30 GCEDMM CCOC(=O)c1cnn(CC(=O)N(C)C2(C#N)CCCCC2)c1-c1nn[n-]n1 ZINC000825564790 947222119 /nfs/dbraw/zinc/22/21/19/947222119.db2.gz FSJZJSBFFPDHGT-UHFFFAOYSA-N -1 1 386.416 0.925 20 30 GCEDMM C=CC1(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)CCCCC1 ZINC001573314954 947239913 /nfs/dbraw/zinc/23/99/13/947239913.db2.gz INARKKBCRSIWQZ-KGLIPLIRSA-N -1 1 398.471 0.849 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1cccc2c1CCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573585053 947244650 /nfs/dbraw/zinc/24/46/50/947244650.db2.gz JUYSWHPNLMZZID-GFCCVEGCSA-N -1 1 389.423 0.995 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1cccc2c1CCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573585053 947244657 /nfs/dbraw/zinc/24/46/57/947244657.db2.gz JUYSWHPNLMZZID-GFCCVEGCSA-N -1 1 389.423 0.995 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573585192 947250354 /nfs/dbraw/zinc/25/03/54/947250354.db2.gz MFIOZOVWFXTUNQ-LLVKDONJSA-N -1 1 375.396 0.953 20 30 GCEDMM C=CCC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001573318577 947310381 /nfs/dbraw/zinc/31/03/81/947310381.db2.gz DAMNQQCMKUJUEA-CYBMUJFWSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001573318577 947310392 /nfs/dbraw/zinc/31/03/92/947310392.db2.gz DAMNQQCMKUJUEA-CYBMUJFWSA-N -1 1 386.460 0.971 20 30 GCEDMM CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000825892624 947361345 /nfs/dbraw/zinc/36/13/45/947361345.db2.gz QOSXOAIELSJESX-UHFFFAOYSA-N -1 1 399.802 0.685 20 30 GCEDMM C=CCCCC(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001573335452 947477646 /nfs/dbraw/zinc/47/76/46/947477646.db2.gz OGBHPVFJXFNDLR-RKDXNWHRSA-N -1 1 383.865 0.999 20 30 GCEDMM C=CCCOCC(=O)NCCC1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573335817 947490715 /nfs/dbraw/zinc/49/07/15/947490715.db2.gz DXLIKRNXVQKHAH-UHFFFAOYSA-N -1 1 384.444 0.892 20 30 GCEDMM C=CCCOCC(=O)NCCC1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573335817 947490719 /nfs/dbraw/zinc/49/07/19/947490719.db2.gz DXLIKRNXVQKHAH-UHFFFAOYSA-N -1 1 384.444 0.892 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573335878 947492398 /nfs/dbraw/zinc/49/23/98/947492398.db2.gz FNYLJRZXKMYNEV-CHWSQXEVSA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573335878 947492407 /nfs/dbraw/zinc/49/24/07/947492407.db2.gz FNYLJRZXKMYNEV-CHWSQXEVSA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573336138 947501797 /nfs/dbraw/zinc/50/17/97/947501797.db2.gz JFZHXYPIGUNDSG-OCCSQVGLSA-N -1 1 386.460 0.969 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573336138 947501808 /nfs/dbraw/zinc/50/18/08/947501808.db2.gz JFZHXYPIGUNDSG-OCCSQVGLSA-N -1 1 386.460 0.969 20 30 GCEDMM C=CCCn1cc(C(=O)Nc2c(-c3nn[n-]n3)nnn2Cc2ccccc2)nn1 ZINC001573341974 947536382 /nfs/dbraw/zinc/53/63/82/947536382.db2.gz RXNWFUBQZMZIIY-UHFFFAOYSA-N -1 1 391.399 0.926 20 30 GCEDMM C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573343042 947552999 /nfs/dbraw/zinc/55/29/99/947552999.db2.gz ITSXNNUDVDPBPO-NXEZZACHSA-N -1 1 398.349 0.661 20 30 GCEDMM C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573343042 947553011 /nfs/dbraw/zinc/55/30/11/947553011.db2.gz ITSXNNUDVDPBPO-NXEZZACHSA-N -1 1 398.349 0.661 20 30 GCEDMM C=CCOCC(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573344021 947566526 /nfs/dbraw/zinc/56/65/26/947566526.db2.gz WMBREEACIGSJIW-CYBMUJFWSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCOCC(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573344021 947566531 /nfs/dbraw/zinc/56/65/31/947566531.db2.gz WMBREEACIGSJIW-CYBMUJFWSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCOCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001573344160 947568085 /nfs/dbraw/zinc/56/80/85/947568085.db2.gz XMIQSIDUCLFYPY-ZDUSSCGKSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCOCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001573344160 947568094 /nfs/dbraw/zinc/56/80/94/947568094.db2.gz XMIQSIDUCLFYPY-ZDUSSCGKSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCn1cc(C(=O)N(C)[C@@H](C)CNc2snc(C)c2-c2nn[n-]n2)nn1 ZINC001573347735 947576946 /nfs/dbraw/zinc/57/69/46/947576946.db2.gz GYIHZKBSCRDBOP-VIFPVBQESA-N -1 1 388.461 0.982 20 30 GCEDMM C=CCn1cc(C(=O)N(C)C2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001573348308 947581356 /nfs/dbraw/zinc/58/13/56/947581356.db2.gz OZBPFNVESOJQKD-UHFFFAOYSA-N -1 1 381.404 0.149 20 30 GCEDMM C=CCn1cc(C(=O)N(C)C2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001573348308 947581365 /nfs/dbraw/zinc/58/13/65/947581365.db2.gz OZBPFNVESOJQKD-UHFFFAOYSA-N -1 1 381.404 0.149 20 30 GCEDMM C=CCn1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)nn1 ZINC001573349011 947589460 /nfs/dbraw/zinc/58/94/60/947589460.db2.gz YASANLYKDXQJLS-QWRGUYRKSA-N -1 1 381.404 0.007 20 30 GCEDMM C=CCn1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)nn1 ZINC001573349011 947589470 /nfs/dbraw/zinc/58/94/70/947589470.db2.gz YASANLYKDXQJLS-QWRGUYRKSA-N -1 1 381.404 0.007 20 30 GCEDMM C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001573350535 947598517 /nfs/dbraw/zinc/59/85/17/947598517.db2.gz FJGCQYVRJBJRLD-VXGBXAGGSA-N -1 1 395.431 0.587 20 30 GCEDMM C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001573350535 947598525 /nfs/dbraw/zinc/59/85/25/947598525.db2.gz FJGCQYVRJBJRLD-VXGBXAGGSA-N -1 1 395.431 0.587 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573350570 947599510 /nfs/dbraw/zinc/59/95/10/947599510.db2.gz GNNCZJQHUDJDMM-OLZOCXBDSA-N -1 1 384.444 0.511 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573351044 947607538 /nfs/dbraw/zinc/60/75/38/947607538.db2.gz IQFYNFDJRFHAIV-JLNYLFASSA-N -1 1 384.444 0.945 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573351044 947607545 /nfs/dbraw/zinc/60/75/45/947607545.db2.gz IQFYNFDJRFHAIV-JLNYLFASSA-N -1 1 384.444 0.945 20 30 GCEDMM COc1ccc(N2CCN(C(=O)Cn3cnc(C#N)c3-c3nn[n-]n3)CC2)cc1 ZINC000826209713 947610846 /nfs/dbraw/zinc/61/08/46/947610846.db2.gz NLJNCMIOGUPFSS-UHFFFAOYSA-N -1 1 393.411 0.292 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573351333 947613020 /nfs/dbraw/zinc/61/30/20/947613020.db2.gz LFAZFODFEJTUGG-NFAWXSAZSA-N -1 1 384.444 0.641 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573351333 947613024 /nfs/dbraw/zinc/61/30/24/947613024.db2.gz LFAZFODFEJTUGG-NFAWXSAZSA-N -1 1 384.444 0.641 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573351470 947614550 /nfs/dbraw/zinc/61/45/50/947614550.db2.gz ODAISLUSJFUIEN-NFAWXSAZSA-N -1 1 398.471 0.753 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573351470 947614556 /nfs/dbraw/zinc/61/45/56/947614556.db2.gz ODAISLUSJFUIEN-NFAWXSAZSA-N -1 1 398.471 0.753 20 30 GCEDMM Cc1cc(C)c(NC(=O)CNC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)c(C)c1 ZINC000826263630 947761462 /nfs/dbraw/zinc/76/14/62/947761462.db2.gz KVYYQYWDJIFURD-UHFFFAOYSA-N -1 1 393.411 0.615 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1C#N ZINC000826344686 948011414 /nfs/dbraw/zinc/01/14/14/948011414.db2.gz OUTUKTMDLGDIQP-JTQLQIEISA-N -1 1 394.399 0.105 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1C#N ZINC000826344686 948011424 /nfs/dbraw/zinc/01/14/24/948011424.db2.gz OUTUKTMDLGDIQP-JTQLQIEISA-N -1 1 394.399 0.105 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3ncccc3C#N)CC2)c1-c1nnn[n-]1 ZINC000826344862 948014084 /nfs/dbraw/zinc/01/40/84/948014084.db2.gz UXYYVOWMPLKUMQ-UHFFFAOYSA-N -1 1 379.384 0.321 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3ncccc3C#N)CC2)c1-c1nn[n-]n1 ZINC000826344862 948014093 /nfs/dbraw/zinc/01/40/93/948014093.db2.gz UXYYVOWMPLKUMQ-UHFFFAOYSA-N -1 1 379.384 0.321 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826344823 948014762 /nfs/dbraw/zinc/01/47/62/948014762.db2.gz TVEVYUNCCRYYNI-SNVBAGLBSA-N -1 1 394.399 0.105 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826344823 948014768 /nfs/dbraw/zinc/01/47/68/948014768.db2.gz TVEVYUNCCRYYNI-SNVBAGLBSA-N -1 1 394.399 0.105 20 30 GCEDMM N#Cc1ncn(Cc2cccc(Cn3cnc(C#N)c3-c3nn[n-]n3)c2)c1C#N ZINC000826388259 948194454 /nfs/dbraw/zinc/19/44/54/948194454.db2.gz PFBUELOEAIPZLK-UHFFFAOYSA-N -1 1 381.363 0.971 20 30 GCEDMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001575853674 949220191 /nfs/dbraw/zinc/22/01/91/949220191.db2.gz XGNBYJLJVYMKQF-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001575853674 949220213 /nfs/dbraw/zinc/22/02/13/949220213.db2.gz XGNBYJLJVYMKQF-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001575858045 949279962 /nfs/dbraw/zinc/27/99/62/949279962.db2.gz ZCIJIUZLHJNART-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001575858045 949279982 /nfs/dbraw/zinc/27/99/82/949279982.db2.gz ZCIJIUZLHJNART-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM C[C@H](NC(=O)CSCC#N)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575283321 949866106 /nfs/dbraw/zinc/86/61/06/949866106.db2.gz OGSQLIJPOCZEGM-NWDGAFQWSA-N -1 1 387.473 0.635 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575889612 949930748 /nfs/dbraw/zinc/93/07/48/949930748.db2.gz SXALHPCHVKXAEN-MFKMUULPSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575889612 949930766 /nfs/dbraw/zinc/93/07/66/949930766.db2.gz SXALHPCHVKXAEN-MFKMUULPSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575889614 949931835 /nfs/dbraw/zinc/93/18/35/949931835.db2.gz SXALHPCHVKXAEN-ZWNOBZJWSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575889614 949931853 /nfs/dbraw/zinc/93/18/53/949931853.db2.gz SXALHPCHVKXAEN-ZWNOBZJWSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575891736 950027369 /nfs/dbraw/zinc/02/73/69/950027369.db2.gz NGLROHNVDMPJJX-ZYHUDNBSSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891736 950027390 /nfs/dbraw/zinc/02/73/90/950027390.db2.gz NGLROHNVDMPJJX-ZYHUDNBSSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184014 950109438 /nfs/dbraw/zinc/10/94/38/950109438.db2.gz VCDHZSXYLHAZDT-SMDDNHRTSA-N -1 1 392.427 0.631 20 30 GCEDMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574157550 950242170 /nfs/dbraw/zinc/24/21/70/950242170.db2.gz CSRKOFOORCLCDI-ZDUSSCGKSA-N -1 1 380.416 0.535 20 30 GCEDMM CC(C)(C)NS(=O)(=O)C1(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CCC1 ZINC001573850561 950275452 /nfs/dbraw/zinc/27/54/52/950275452.db2.gz KXSINVVAGFHAER-UHFFFAOYSA-N -1 1 391.461 0.581 20 30 GCEDMM CC(C)(C)NS(=O)(=O)C1(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)CCC1 ZINC001573850561 950275469 /nfs/dbraw/zinc/27/54/69/950275469.db2.gz KXSINVVAGFHAER-UHFFFAOYSA-N -1 1 391.461 0.581 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573851925 950296338 /nfs/dbraw/zinc/29/63/38/950296338.db2.gz AUQNZXPQUNJZCZ-GXSJLCMTSA-N -1 1 382.388 0.699 20 30 GCEDMM CC(C)(C)OC(=O)N1CCC2(CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)C2)C1 ZINC001573852002 950299141 /nfs/dbraw/zinc/29/91/41/950299141.db2.gz BLBPEXLETWRYRO-UHFFFAOYSA-N -1 1 383.416 0.976 20 30 GCEDMM CC(C)(C)OC(=O)N1CCC2(CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C2)C1 ZINC001573852002 950299157 /nfs/dbraw/zinc/29/91/57/950299157.db2.gz BLBPEXLETWRYRO-UHFFFAOYSA-N -1 1 383.416 0.976 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001573852880 950312302 /nfs/dbraw/zinc/31/23/02/950312302.db2.gz KKLXWTFIHMIJEF-KOLCDFICSA-N -1 1 382.388 0.699 20 30 GCEDMM CC(C)(C)OC(=O)N1CCC2(CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)C2)C1 ZINC001573853123 950317430 /nfs/dbraw/zinc/31/74/30/950317430.db2.gz LKAYUVLCFUSSFF-UHFFFAOYSA-N -1 1 383.416 0.976 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)C[C@H]2C1 ZINC001573857025 950401221 /nfs/dbraw/zinc/40/12/21/950401221.db2.gz KYIYGZOGOHLCLX-PHIMTYICSA-N -1 1 383.416 0.831 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C[C@H]2C1 ZINC001573857025 950401230 /nfs/dbraw/zinc/40/12/30/950401230.db2.gz KYIYGZOGOHLCLX-PHIMTYICSA-N -1 1 383.416 0.831 20 30 GCEDMM CC(C)(C)OC(=O)NC[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001573860085 950417758 /nfs/dbraw/zinc/41/77/58/950417758.db2.gz DJLYHGKAJNVEOZ-SNVBAGLBSA-N -1 1 387.404 0.258 20 30 GCEDMM CCOC(=O)CON=C(C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccn[nH]1 ZINC001590648437 950964766 /nfs/dbraw/zinc/96/47/66/950964766.db2.gz NUHQSNMHUJCFTL-SFHVURJKSA-N -1 1 388.380 0.810 20 30 GCEDMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575128468 952069374 /nfs/dbraw/zinc/06/93/74/952069374.db2.gz JFVKXLHGXHPDRR-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575128468 952069385 /nfs/dbraw/zinc/06/93/85/952069385.db2.gz JFVKXLHGXHPDRR-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575156898 952259240 /nfs/dbraw/zinc/25/92/40/952259240.db2.gz XMHVINCKXNLLAV-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575156898 952259247 /nfs/dbraw/zinc/25/92/47/952259247.db2.gz XMHVINCKXNLLAV-QGZVFWFLSA-N -1 1 378.400 0.867 20 30 GCEDMM Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)Nc1nc(-c3nn[nH]n3)c(C#N)[n-]1)C2 ZINC001571129789 952576299 /nfs/dbraw/zinc/57/62/99/952576299.db2.gz IXIKFKRCCLADDG-KRWDZBQOSA-N -1 1 378.352 0.880 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)n1 ZINC001571135692 952607031 /nfs/dbraw/zinc/60/70/31/952607031.db2.gz BGNGALWSDKHVOA-LKFCYVNXSA-N -1 1 378.400 0.738 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)n1 ZINC001571135692 952607034 /nfs/dbraw/zinc/60/70/34/952607034.db2.gz BGNGALWSDKHVOA-LKFCYVNXSA-N -1 1 378.400 0.738 20 30 GCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571135982 952611265 /nfs/dbraw/zinc/61/12/65/952611265.db2.gz JQXHOXILYUEWNC-GFCCVEGCSA-N -1 1 378.400 0.645 20 30 GCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571135982 952611268 /nfs/dbraw/zinc/61/12/68/952611268.db2.gz JQXHOXILYUEWNC-GFCCVEGCSA-N -1 1 378.400 0.645 20 30 GCEDMM CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571136179 952613371 /nfs/dbraw/zinc/61/33/71/952613371.db2.gz NXMHAOOVWOOGFQ-GFCCVEGCSA-N -1 1 378.400 0.597 20 30 GCEDMM CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571136179 952613376 /nfs/dbraw/zinc/61/33/76/952613376.db2.gz NXMHAOOVWOOGFQ-GFCCVEGCSA-N -1 1 378.400 0.597 20 30 GCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571136370 952613972 /nfs/dbraw/zinc/61/39/72/952613972.db2.gz OVEYIZTWNNNSLB-LLVKDONJSA-N -1 1 378.400 0.428 20 30 GCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571136370 952613975 /nfs/dbraw/zinc/61/39/75/952613975.db2.gz OVEYIZTWNNNSLB-LLVKDONJSA-N -1 1 378.400 0.428 20 30 GCEDMM CC1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571136417 952614045 /nfs/dbraw/zinc/61/40/45/952614045.db2.gz PVAXYCTYSWIIMM-UHFFFAOYSA-N -1 1 378.400 0.645 20 30 GCEDMM C[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571136418 952614116 /nfs/dbraw/zinc/61/41/16/952614116.db2.gz PWIFPPSSEDTWFR-KRWDZBQOSA-N -1 1 378.400 0.821 20 30 GCEDMM C[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571136418 952614120 /nfs/dbraw/zinc/61/41/20/952614120.db2.gz PWIFPPSSEDTWFR-KRWDZBQOSA-N -1 1 378.400 0.821 20 30 GCEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571136403 952614222 /nfs/dbraw/zinc/61/42/22/952614222.db2.gz PLFPWNPFXVDJFR-CMPLNLGQSA-N -1 1 378.400 0.819 20 30 GCEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571136403 952614223 /nfs/dbraw/zinc/61/42/23/952614223.db2.gz PLFPWNPFXVDJFR-CMPLNLGQSA-N -1 1 378.400 0.819 20 30 GCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571136436 952614232 /nfs/dbraw/zinc/61/42/32/952614232.db2.gz QIIFOEINLVJIPY-CMPLNLGQSA-N -1 1 378.400 0.099 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571136784 952616400 /nfs/dbraw/zinc/61/64/00/952616400.db2.gz VWWVFDCGALFNOB-GFCCVEGCSA-N -1 1 378.400 0.963 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571136784 952616402 /nfs/dbraw/zinc/61/64/02/952616402.db2.gz VWWVFDCGALFNOB-GFCCVEGCSA-N -1 1 378.400 0.963 20 30 GCEDMM 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GCEDMM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC000737173632 599014563 /nfs/dbraw/zinc/01/45/63/599014563.db2.gz JXLWLBVKLACVME-UHFFFAOYSA-N -1 1 392.788 0.771 20 30 GCEDMM CC[C@H](CNC(=O)c1ccc(C#N)nc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736350353 599029493 /nfs/dbraw/zinc/02/94/93/599029493.db2.gz MGXRJNGSTHNFAF-CYBMUJFWSA-N -1 1 391.395 0.467 20 30 GCEDMM CC[C@H](CNC(=O)c1ccc(C#N)nc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736350353 599029495 /nfs/dbraw/zinc/02/94/95/599029495.db2.gz MGXRJNGSTHNFAF-CYBMUJFWSA-N -1 1 391.395 0.467 20 30 GCEDMM N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737672856 599152745 /nfs/dbraw/zinc/15/27/45/599152745.db2.gz KWYPBXDOKNDFCS-GFCCVEGCSA-N -1 1 391.347 0.994 20 30 GCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nnc(-c3cccc(C#N)c3)o2)c1=O ZINC000736717471 599161564 /nfs/dbraw/zinc/16/15/64/599161564.db2.gz CTJMAKZWMAEZLF-UHFFFAOYSA-N -1 1 391.351 0.180 20 30 GCEDMM CCc1nn(C[C@@H](O)COc2ccc(C#N)cc2)c(=O)c(-c2nn[n-]n2)c1CC 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TWZIPXGIHQXTFZ-UHFFFAOYSA-N -1 1 377.342 0.989 20 30 GCEDMM NS(=O)(=O)c1ccc(N=NCc2ccc(-c3nnn[n-]3)o2)c([N+](=O)[O-])c1 ZINC000822899357 599332344 /nfs/dbraw/zinc/33/23/44/599332344.db2.gz HGQKHSKTZZVQNT-UHFFFAOYSA-N -1 1 378.330 0.461 20 30 GCEDMM NS(=O)(=O)c1ccc(N=NCc2ccc(-c3nn[n-]n3)o2)c([N+](=O)[O-])c1 ZINC000822899357 599332346 /nfs/dbraw/zinc/33/23/46/599332346.db2.gz HGQKHSKTZZVQNT-UHFFFAOYSA-N -1 1 378.330 0.461 20 30 GCEDMM CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C ZINC000820893578 599490246 /nfs/dbraw/zinc/49/02/46/599490246.db2.gz RRBLRQGQBIQCPY-UHFFFAOYSA-N -1 1 398.448 0.728 20 30 GCEDMM CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C ZINC000820893578 599490248 /nfs/dbraw/zinc/49/02/48/599490248.db2.gz RRBLRQGQBIQCPY-UHFFFAOYSA-N -1 1 398.448 0.728 20 30 GCEDMM Cc1c(C(=O)OCCc2c(C(=O)[O-])[nH]n(-c3ccc(C#N)cc3)c2=O)nnn1C ZINC000832854057 600943857 /nfs/dbraw/zinc/94/38/57/600943857.db2.gz SAYARJWGQGAFNE-UHFFFAOYSA-N -1 1 396.363 0.572 20 30 GCEDMM N#CCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000826382281 607610270 /nfs/dbraw/zinc/61/02/70/607610270.db2.gz WXFULZAUQYUVJD-UHFFFAOYSA-N -1 1 392.401 0.041 20 30 GCEDMM N#CCN1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826382315 607610401 /nfs/dbraw/zinc/61/04/01/607610401.db2.gz YHCBZJMMIXUYBY-UHFFFAOYSA-N -1 1 381.849 0.786 20 30 GCEDMM N#CCN1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826382315 607610403 /nfs/dbraw/zinc/61/04/03/607610403.db2.gz YHCBZJMMIXUYBY-UHFFFAOYSA-N -1 1 381.849 0.786 20 30 GCEDMM CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CCC(=O)[O-])C[C@H]2CCCO2)CC1 ZINC000833466713 605042147 /nfs/dbraw/zinc/04/21/47/605042147.db2.gz MHHBUYSANHHBSX-IAGOWNOFSA-N -1 1 380.489 0.634 20 30 GCEDMM N#C[C@H]1COCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822806089 606090903 /nfs/dbraw/zinc/09/09/03/606090903.db2.gz IUYPKXDDXVPXSD-ZDUSSCGKSA-N -1 1 379.384 0.215 20 30 GCEDMM N#C[C@H]1COCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822806089 606090908 /nfs/dbraw/zinc/09/09/08/606090908.db2.gz IUYPKXDDXVPXSD-ZDUSSCGKSA-N -1 1 379.384 0.215 20 30 GCEDMM COC(=O)C1=C(C(=O)C2CC2)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC(=S)N1 ZINC000821653468 606395573 /nfs/dbraw/zinc/39/55/73/606395573.db2.gz BYBZKWYREMLSMT-SNVBAGLBSA-N -1 1 390.450 0.853 20 30 GCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(C#N)cc2OC(F)F)c1=O ZINC000821565523 606588970 /nfs/dbraw/zinc/58/89/70/606588970.db2.gz WXPLAWKSLKIHJX-UHFFFAOYSA-N -1 1 389.322 0.731 20 30 GCEDMM C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC000819877579 606605512 /nfs/dbraw/zinc/60/55/12/606605512.db2.gz YYGBSYRAKQCEGQ-QMMMGPOBSA-N -1 1 386.397 0.607 20 30 GCEDMM C=CCSCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000819758729 606789988 /nfs/dbraw/zinc/78/99/88/606789988.db2.gz GKASBXLLPIMYER-GFCCVEGCSA-N -1 1 389.489 0.796 20 30 GCEDMM C=CCSCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000819758729 606789990 /nfs/dbraw/zinc/78/99/90/606789990.db2.gz GKASBXLLPIMYER-GFCCVEGCSA-N -1 1 389.489 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/nfs/dbraw/zinc/21/70/29/607217029.db2.gz FLWFTIUYZBBAGJ-SNVBAGLBSA-N -1 1 388.189 0.602 20 30 GCEDMM N#Cc1[n-]c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc1-c1nn[nH]n1 ZINC000826382706 608116913 /nfs/dbraw/zinc/11/69/13/608116913.db2.gz RHXBPCQUKCHUHO-UHFFFAOYSA-N -1 1 391.311 0.808 20 30 GCEDMM C=C(Br)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000823873234 608350861 /nfs/dbraw/zinc/35/08/61/608350861.db2.gz KGBDCDZSCQIQFR-UHFFFAOYSA-N -1 1 397.237 0.782 20 30 GCEDMM C=C(Br)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000823873234 608350862 /nfs/dbraw/zinc/35/08/62/608350862.db2.gz KGBDCDZSCQIQFR-UHFFFAOYSA-N -1 1 397.237 0.782 20 30 GCEDMM C=CC[C@@H](CO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000823888062 608469426 /nfs/dbraw/zinc/46/94/26/608469426.db2.gz DSHPFWIOKDFSKC-SNVBAGLBSA-N -1 1 376.421 0.058 20 30 GCEDMM C=CC[C@@H](CO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000823888062 608469428 /nfs/dbraw/zinc/46/94/28/608469428.db2.gz DSHPFWIOKDFSKC-SNVBAGLBSA-N -1 1 376.421 0.058 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccccc1OCC#N ZINC000825934331 608558017 /nfs/dbraw/zinc/55/80/17/608558017.db2.gz MYPTZSNWXQVGNV-UHFFFAOYSA-N -1 1 381.400 0.779 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccccc1OCC#N ZINC000825934331 608558019 /nfs/dbraw/zinc/55/80/19/608558019.db2.gz MYPTZSNWXQVGNV-UHFFFAOYSA-N -1 1 381.400 0.779 20 30 GCEDMM C=CC[C@@H](CO)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000823888174 608563026 /nfs/dbraw/zinc/56/30/26/608563026.db2.gz GUHUKYASDZEWBF-CYBMUJFWSA-N -1 1 384.444 0.760 20 30 GCEDMM C=CC[C@@H](CO)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000823888174 608563027 /nfs/dbraw/zinc/56/30/27/608563027.db2.gz GUHUKYASDZEWBF-CYBMUJFWSA-N -1 1 384.444 0.760 20 30 GCEDMM Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nn1CCC#N ZINC000826270057 609163894 /nfs/dbraw/zinc/16/38/94/609163894.db2.gz JKCCMGMQRLWDAE-UHFFFAOYSA-N -1 1 398.435 0.687 20 30 GCEDMM Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nn1CCC#N ZINC000826270057 609163896 /nfs/dbraw/zinc/16/38/96/609163896.db2.gz JKCCMGMQRLWDAE-UHFFFAOYSA-N -1 1 398.435 0.687 20 30 GCEDMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)nn1CCC#N ZINC000826270299 609274230 /nfs/dbraw/zinc/27/42/30/609274230.db2.gz UCLZZOPNMQVZCI-UHFFFAOYSA-N -1 1 384.408 0.345 20 30 GCEDMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nn1CCC#N ZINC000826270299 609274232 /nfs/dbraw/zinc/27/42/32/609274232.db2.gz UCLZZOPNMQVZCI-UHFFFAOYSA-N -1 1 384.408 0.345 20 30 GCEDMM C=CCOCCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823925890 609619785 /nfs/dbraw/zinc/61/97/85/609619785.db2.gz QDDHKPARCKLQGR-UHFFFAOYSA-N -1 1 388.432 0.766 20 30 GCEDMM Cc1nc(S(=O)(=O)[N-]C2CCN(CC#N)CC2)c(Br)n1C ZINC000314701035 638742243 /nfs/dbraw/zinc/74/22/43/638742243.db2.gz CDZLXMFBPWKWHA-UHFFFAOYSA-N -1 1 376.280 0.757 20 30 GCEDMM O=C(NCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F)C1N=CC=CC1=O ZINC000731851476 639781617 /nfs/dbraw/zinc/78/16/17/639781617.db2.gz XQXWQZMHKIHQCI-YPKPFQOOSA-N -1 1 375.328 0.909 20 30 GCEDMM 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CC(C)(C)OC(=O)Nc1cnc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cn1 ZINC000824114455 946594380 /nfs/dbraw/zinc/59/43/80/946594380.db2.gz RPGJQJIWVJBAPL-UHFFFAOYSA-N -1 1 397.359 0.851 20 30 GCEDMM C#CCN(C(=O)c1ccon1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573281891 946682037 /nfs/dbraw/zinc/68/20/37/946682037.db2.gz CKQIPMOWRHWZLC-UHFFFAOYSA-N -1 1 379.384 0.389 20 30 GCEDMM C#CCN(C(=O)c1ccon1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573281891 946682040 /nfs/dbraw/zinc/68/20/40/946682040.db2.gz CKQIPMOWRHWZLC-UHFFFAOYSA-N -1 1 379.384 0.389 20 30 GCEDMM C#CCCCCC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1 ZINC001573282505 946693582 /nfs/dbraw/zinc/69/35/82/946693582.db2.gz LEECJGKDHBWCHO-AWEZNQCLSA-N -1 1 384.444 0.562 20 30 GCEDMM C#CCCCCC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1 ZINC001573282505 946693590 /nfs/dbraw/zinc/69/35/90/946693590.db2.gz LEECJGKDHBWCHO-AWEZNQCLSA-N -1 1 384.444 0.562 20 30 GCEDMM C#CCCCCC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573283788 946724497 /nfs/dbraw/zinc/72/44/97/946724497.db2.gz MYVUJYCTVQEJPZ-AWEZNQCLSA-N -1 1 384.444 0.798 20 30 GCEDMM C#CCCCCC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573283788 946724510 /nfs/dbraw/zinc/72/45/10/946724510.db2.gz MYVUJYCTVQEJPZ-AWEZNQCLSA-N -1 1 384.444 0.798 20 30 GCEDMM C#CCO[C@H](C)C(=O)N(CCC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573285378 946776450 /nfs/dbraw/zinc/77/64/50/946776450.db2.gz GXXWFHOKKJSLPM-ZIAGYGMSSA-N -1 1 384.444 0.512 20 30 GCEDMM C#CCO[C@H](C)C(=O)N(CCC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573285378 946776458 /nfs/dbraw/zinc/77/64/58/946776458.db2.gz GXXWFHOKKJSLPM-ZIAGYGMSSA-N -1 1 384.444 0.512 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573285721 946785295 /nfs/dbraw/zinc/78/52/95/946785295.db2.gz MBWUTYRYACCXCH-MELADBBJSA-N -1 1 382.428 0.265 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573285721 946785305 /nfs/dbraw/zinc/78/53/05/946785305.db2.gz MBWUTYRYACCXCH-MELADBBJSA-N -1 1 382.428 0.265 20 30 GCEDMM C#CCNC(=O)CN1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001573286330 946803577 /nfs/dbraw/zinc/80/35/77/946803577.db2.gz YZRJINGSIUHDKC-UHFFFAOYSA-N -1 1 390.429 0.098 20 30 GCEDMM C#CCNC(=O)CN1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001573286330 946803584 /nfs/dbraw/zinc/80/35/84/946803584.db2.gz YZRJINGSIUHDKC-UHFFFAOYSA-N -1 1 390.429 0.098 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573286383 946805853 /nfs/dbraw/zinc/80/58/53/946805853.db2.gz AEWPXWGIEJIDOI-QWHCGFSZSA-N -1 1 382.428 0.170 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573286383 946805859 /nfs/dbraw/zinc/80/58/59/946805859.db2.gz AEWPXWGIEJIDOI-QWHCGFSZSA-N -1 1 382.428 0.170 20 30 GCEDMM C#CCOCCC(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573286700 946817823 /nfs/dbraw/zinc/81/78/23/946817823.db2.gz HTBWEVOHHNSBHF-CQSZACIVSA-N -1 1 384.444 0.737 20 30 GCEDMM C#CCOCCC(=O)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573286700 946817836 /nfs/dbraw/zinc/81/78/36/946817836.db2.gz HTBWEVOHHNSBHF-CQSZACIVSA-N -1 1 384.444 0.737 20 30 GCEDMM C#Cc1ccc(C(=O)NCC2=CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nc1 ZINC001573287078 946825517 /nfs/dbraw/zinc/82/55/17/946825517.db2.gz DPZBVFLFCRPFJL-UHFFFAOYSA-N -1 1 387.407 0.600 20 30 GCEDMM C#Cc1ccc(C(=O)NCC2=CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nc1 ZINC001573287078 946825529 /nfs/dbraw/zinc/82/55/29/946825529.db2.gz DPZBVFLFCRPFJL-UHFFFAOYSA-N -1 1 387.407 0.600 20 30 GCEDMM C#CCOCCC(=O)N(CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573287084 946825587 /nfs/dbraw/zinc/82/55/87/946825587.db2.gz LQXDDXHBVPSZPO-UHFFFAOYSA-N -1 1 386.460 0.678 20 30 GCEDMM C#CCOCCC(=O)N(CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573287084 946825601 /nfs/dbraw/zinc/82/56/01/946825601.db2.gz LQXDDXHBVPSZPO-UHFFFAOYSA-N -1 1 386.460 0.678 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H](O)CNc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001573287106 946828456 /nfs/dbraw/zinc/82/84/56/946828456.db2.gz FDRACDHEVAOXAB-CYBMUJFWSA-N -1 1 383.437 0.816 20 30 GCEDMM C#CCOCCC(=O)N(CCC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573287416 946834799 /nfs/dbraw/zinc/83/47/99/946834799.db2.gz NIRBOWBOZFMKNQ-AWEZNQCLSA-N -1 1 384.444 0.514 20 30 GCEDMM C#CCOCCC(=O)N(CCC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573287416 946834808 /nfs/dbraw/zinc/83/48/08/946834808.db2.gz NIRBOWBOZFMKNQ-AWEZNQCLSA-N -1 1 384.444 0.514 20 30 GCEDMM C#Cc1ccc(C(=O)NCCOCCCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573287479 946838721 /nfs/dbraw/zinc/83/87/21/946838721.db2.gz IKIHVNHMEAJRGG-UHFFFAOYSA-N -1 1 392.423 0.309 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC001573288114 946858650 /nfs/dbraw/zinc/85/86/50/946858650.db2.gz NSDVMLHHFMUDRJ-UHFFFAOYSA-N -1 1 375.396 0.750 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)nc1 ZINC001573288114 946858660 /nfs/dbraw/zinc/85/86/60/946858660.db2.gz NSDVMLHHFMUDRJ-UHFFFAOYSA-N -1 1 375.396 0.750 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573288297 946864626 /nfs/dbraw/zinc/86/46/26/946864626.db2.gz UFRGSJKUWAWJHP-DZGCQCFKSA-N -1 1 382.428 0.124 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573288297 946864640 /nfs/dbraw/zinc/86/46/40/946864640.db2.gz UFRGSJKUWAWJHP-DZGCQCFKSA-N -1 1 382.428 0.124 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001573288454 946867665 /nfs/dbraw/zinc/86/76/65/946867665.db2.gz LGJUYXLBGXABHY-CQSZACIVSA-N -1 1 375.396 0.384 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001573288454 946867678 /nfs/dbraw/zinc/86/76/78/946867678.db2.gz LGJUYXLBGXABHY-CQSZACIVSA-N -1 1 375.396 0.384 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NCC1CC(Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573288646 946872788 /nfs/dbraw/zinc/87/27/88/946872788.db2.gz WYVORITVLBVFML-HIFPTAJRSA-N -1 1 384.444 0.564 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NCC1CC(Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573288646 946872800 /nfs/dbraw/zinc/87/28/00/946872800.db2.gz WYVORITVLBVFML-HIFPTAJRSA-N -1 1 384.444 0.564 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001573288977 946880523 /nfs/dbraw/zinc/88/05/23/946880523.db2.gz WBXAHQQBNNSTFF-HNNXBMFYSA-N -1 1 389.423 0.562 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nnn[n-]3)C2)nc1 ZINC001573289703 946891875 /nfs/dbraw/zinc/89/18/75/946891875.db2.gz PKDKQAAYCCKSRK-IBGZPJMESA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nn[n-]n3)C2)nc1 ZINC001573289703 946891890 /nfs/dbraw/zinc/89/18/90/946891890.db2.gz PKDKQAAYCCKSRK-IBGZPJMESA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1ccccc1CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573289834 946894094 /nfs/dbraw/zinc/89/40/94/946894094.db2.gz DUDREEIUSKJJJN-INIZCTEOSA-N -1 1 388.435 0.918 20 30 GCEDMM C#Cc1ccccc1CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573289834 946894107 /nfs/dbraw/zinc/89/41/07/946894107.db2.gz DUDREEIUSKJJJN-INIZCTEOSA-N -1 1 388.435 0.918 20 30 GCEDMM C#Cc1ccccc1CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001573290790 946910569 /nfs/dbraw/zinc/91/05/69/946910569.db2.gz POBAXWGNGKLBFW-MRXNPFEDSA-N -1 1 388.435 0.966 20 30 GCEDMM C#Cc1ccccc1CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001573290790 946910575 /nfs/dbraw/zinc/91/05/75/946910575.db2.gz POBAXWGNGKLBFW-MRXNPFEDSA-N -1 1 388.435 0.966 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001573292030 946926092 /nfs/dbraw/zinc/92/60/92/946926092.db2.gz MZGCAXKPRCPIME-YCPHGPKFSA-N -1 1 387.407 0.573 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001573292030 946926097 /nfs/dbraw/zinc/92/60/97/946926097.db2.gz MZGCAXKPRCPIME-YCPHGPKFSA-N -1 1 387.407 0.573 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)c1 ZINC001573292306 946931710 /nfs/dbraw/zinc/93/17/10/946931710.db2.gz SOYWWGBXNHIHJJ-CQSZACIVSA-N -1 1 375.396 0.654 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)c1 ZINC001573292306 946931719 /nfs/dbraw/zinc/93/17/19/946931719.db2.gz SOYWWGBXNHIHJJ-CQSZACIVSA-N -1 1 375.396 0.654 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001573292326 946933364 /nfs/dbraw/zinc/93/33/64/946933364.db2.gz TZHJPHDYECGEET-FZMZJTMJSA-N -1 1 375.396 0.170 20 30 GCEDMM C=C(C)CCC(=O)NC[C@H]1COCCN1c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573294144 946979824 /nfs/dbraw/zinc/97/98/24/946979824.db2.gz WGXNCIKDYPOIFU-ZDUSSCGKSA-N -1 1 386.460 0.897 20 30 GCEDMM C=C(C)CCC(=O)NC[C@H]1COCCN1c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573294144 946979838 /nfs/dbraw/zinc/97/98/38/946979838.db2.gz WGXNCIKDYPOIFU-ZDUSSCGKSA-N -1 1 386.460 0.897 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573294282 946982877 /nfs/dbraw/zinc/98/28/77/946982877.db2.gz AGISJKXMNGREIZ-ZENOOKHLSA-N -1 1 384.444 0.945 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573294282 946982884 /nfs/dbraw/zinc/98/28/84/946982884.db2.gz AGISJKXMNGREIZ-ZENOOKHLSA-N -1 1 384.444 0.945 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573294879 947003020 /nfs/dbraw/zinc/00/30/20/947003020.db2.gz LMFQJHRNCDJBNC-QYOZUGBQSA-N -1 1 396.455 0.864 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573294879 947003032 /nfs/dbraw/zinc/00/30/32/947003032.db2.gz LMFQJHRNCDJBNC-QYOZUGBQSA-N -1 1 396.455 0.864 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573295153 947008842 /nfs/dbraw/zinc/00/88/42/947008842.db2.gz OCYWBUQSYYFTRK-ABHRYQDASA-N -1 1 382.428 0.427 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573295438 947017253 /nfs/dbraw/zinc/01/72/53/947017253.db2.gz REKXYTFBENBLLM-YOEHRIQHSA-N -1 1 396.455 0.891 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573295438 947017264 /nfs/dbraw/zinc/01/72/64/947017264.db2.gz REKXYTFBENBLLM-YOEHRIQHSA-N -1 1 396.455 0.891 20 30 GCEDMM C=C1CCC(C(=O)NCCN(CCOC)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573295559 947023242 /nfs/dbraw/zinc/02/32/42/947023242.db2.gz FSTYDJZSYZBZSN-UHFFFAOYSA-N -1 1 386.460 0.972 20 30 GCEDMM C=C1CCC(C(=O)NCCN(CCOC)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573295559 947023255 /nfs/dbraw/zinc/02/32/55/947023255.db2.gz FSTYDJZSYZBZSN-UHFFFAOYSA-N -1 1 386.460 0.972 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573298084 947068210 /nfs/dbraw/zinc/06/82/10/947068210.db2.gz AHTLOTGZOSSKJA-FZMZJTMJSA-N -1 1 387.448 0.386 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573298084 947068218 /nfs/dbraw/zinc/06/82/18/947068218.db2.gz AHTLOTGZOSSKJA-FZMZJTMJSA-N -1 1 387.448 0.386 20 30 GCEDMM C=C[C@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573298875 947086714 /nfs/dbraw/zinc/08/67/14/947086714.db2.gz AAUSSEBABJBVID-KGLIPLIRSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C[C@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573298875 947086725 /nfs/dbraw/zinc/08/67/25/947086725.db2.gz AAUSSEBABJBVID-KGLIPLIRSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C[C@H](C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573299952 947101447 /nfs/dbraw/zinc/10/14/47/947101447.db2.gz HMNBSEONMJHTRM-KGLIPLIRSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C[C@H](C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573299952 947101459 /nfs/dbraw/zinc/10/14/59/947101459.db2.gz HMNBSEONMJHTRM-KGLIPLIRSA-N -1 1 380.412 0.516 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573301171 947130459 /nfs/dbraw/zinc/13/04/59/947130459.db2.gz ZXWBJLKAKCONJY-GXTWGEPZSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573301171 947130463 /nfs/dbraw/zinc/13/04/63/947130463.db2.gz ZXWBJLKAKCONJY-GXTWGEPZSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1ccccc1 ZINC001573301365 947137563 /nfs/dbraw/zinc/13/75/63/947137563.db2.gz ZKDNJCDWDLQIDY-FVQBIDKESA-N -1 1 392.423 0.292 20 30 GCEDMM C=C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccccc1 ZINC001573301365 947137567 /nfs/dbraw/zinc/13/75/67/947137567.db2.gz ZKDNJCDWDLQIDY-FVQBIDKESA-N -1 1 392.423 0.292 20 30 GCEDMM C=C[C@](C)(O)CC(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573308974 947188848 /nfs/dbraw/zinc/18/88/48/947188848.db2.gz AIRJCQOINQFLDP-SFHVURJKSA-N -1 1 386.460 0.707 20 30 GCEDMM C=C[C@](C)(O)CC(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573308974 947188856 /nfs/dbraw/zinc/18/88/56/947188856.db2.gz AIRJCQOINQFLDP-SFHVURJKSA-N -1 1 386.460 0.707 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573309737 947207913 /nfs/dbraw/zinc/20/79/13/947207913.db2.gz NVLQVXAMQQLJHE-ROUUACIJSA-N -1 1 384.444 0.413 20 30 GCEDMM CCOC(=O)CN(C(=O)Cn1cnc(-c2nn[n-]n2)c1C#N)c1ccccc1 ZINC000825511737 947212034 /nfs/dbraw/zinc/21/20/34/947212034.db2.gz CMZRUNLLMDALNT-UHFFFAOYSA-N -1 1 380.368 0.531 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573585026 947243373 /nfs/dbraw/zinc/24/33/73/947243373.db2.gz IUWNHPJGGSRIGL-LLVKDONJSA-N -1 1 375.396 0.953 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573585026 947243384 /nfs/dbraw/zinc/24/33/84/947243384.db2.gz IUWNHPJGGSRIGL-LLVKDONJSA-N -1 1 375.396 0.953 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1ccc(CCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573585145 947245373 /nfs/dbraw/zinc/24/53/73/947245373.db2.gz LFBUXSCRPGPOLJ-LBPRGKRZSA-N -1 1 377.412 0.509 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573335645 947485590 /nfs/dbraw/zinc/48/55/90/947485590.db2.gz CFHNFOLMNDQCLC-MXYBEHONSA-N -1 1 384.444 0.864 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573335645 947485595 /nfs/dbraw/zinc/48/55/95/947485595.db2.gz CFHNFOLMNDQCLC-MXYBEHONSA-N -1 1 384.444 0.864 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573336136 947501696 /nfs/dbraw/zinc/50/16/96/947501696.db2.gz JFZHXYPIGUNDSG-GXTWGEPZSA-N -1 1 386.460 0.969 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573336136 947501701 /nfs/dbraw/zinc/50/17/01/947501701.db2.gz JFZHXYPIGUNDSG-GXTWGEPZSA-N -1 1 386.460 0.969 20 30 GCEDMM C=CCCn1cc(C(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)nn1 ZINC001573340843 947522443 /nfs/dbraw/zinc/52/24/43/947522443.db2.gz BODMODMLCYBWLO-NSHDSACASA-N -1 1 383.420 0.445 20 30 GCEDMM C=CCCn1cc(C(=O)NCC[C@H](C)Nc2nccnc2-c2nn[n-]n2)nn1 ZINC001573340843 947522453 /nfs/dbraw/zinc/52/24/53/947522453.db2.gz BODMODMLCYBWLO-NSHDSACASA-N -1 1 383.420 0.445 20 30 GCEDMM C=CCCn1cc(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001573342151 947538166 /nfs/dbraw/zinc/53/81/66/947538166.db2.gz UWKSQUDRSSVFIJ-NSHDSACASA-N -1 1 383.420 0.397 20 30 GCEDMM C=CCCn1cc(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001573342151 947538176 /nfs/dbraw/zinc/53/81/76/947538176.db2.gz UWKSQUDRSSVFIJ-NSHDSACASA-N -1 1 383.420 0.397 20 30 GCEDMM C=CCOCC(=O)N1C[C@H]2CCN(c3cc(-c4nnn[n-]4)nc(CC)n3)C[C@H]2C1 ZINC001573343562 947560148 /nfs/dbraw/zinc/56/01/48/947560148.db2.gz QFRCNTNXTKJVBD-KGLIPLIRSA-N -1 1 398.471 0.706 20 30 GCEDMM C=CCOCC(=O)N1C[C@H]2CCN(c3cc(-c4nn[n-]n4)nc(CC)n3)C[C@H]2C1 ZINC001573343562 947560152 /nfs/dbraw/zinc/56/01/52/947560152.db2.gz QFRCNTNXTKJVBD-KGLIPLIRSA-N -1 1 398.471 0.706 20 30 GCEDMM C=CCOCC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)[C@@H](C)C1 ZINC001573344211 947568471 /nfs/dbraw/zinc/56/84/71/947568471.db2.gz ZIESAJJLHCJDSX-STQMWFEESA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCOCC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)[C@@H](C)C1 ZINC001573344211 947568482 /nfs/dbraw/zinc/56/84/82/947568482.db2.gz ZIESAJJLHCJDSX-STQMWFEESA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCOc1ccc(CC(=O)NCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573347768 947576254 /nfs/dbraw/zinc/57/62/54/947576254.db2.gz HMSFBJAWTVKDSI-UHFFFAOYSA-N -1 1 380.412 0.992 20 30 GCEDMM C=CCOc1ccc(CC(=O)NCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573347768 947576264 /nfs/dbraw/zinc/57/62/64/947576264.db2.gz HMSFBJAWTVKDSI-UHFFFAOYSA-N -1 1 380.412 0.992 20 30 GCEDMM COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000826189720 947578907 /nfs/dbraw/zinc/57/89/07/947578907.db2.gz CMSHODHZMJXPBS-UHFFFAOYSA-N -1 1 395.383 0.007 20 30 GCEDMM C=CCOCCCC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573348321 947581413 /nfs/dbraw/zinc/58/14/13/947581413.db2.gz PILJUSDUOQGIJJ-CQSZACIVSA-N -1 1 386.460 0.854 20 30 GCEDMM COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000826190347 947581550 /nfs/dbraw/zinc/58/15/50/947581550.db2.gz XZJQZQXNLBVNSB-UHFFFAOYSA-N -1 1 395.383 0.007 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573352037 947622860 /nfs/dbraw/zinc/62/28/60/947622860.db2.gz YQWBEQQLCRYOOS-KFWWJZLASA-N -1 1 398.471 0.710 20 30 GCEDMM C=CCn1cc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001573352058 947626179 /nfs/dbraw/zinc/62/61/79/947626179.db2.gz ZBSMDJBVEBAEAW-PHIMTYICSA-N -1 1 381.404 0.055 20 30 GCEDMM C=CCn1cc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001573352058 947626182 /nfs/dbraw/zinc/62/61/82/947626182.db2.gz ZBSMDJBVEBAEAW-PHIMTYICSA-N -1 1 381.404 0.055 20 30 GCEDMM CC#CCCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001573358748 947670989 /nfs/dbraw/zinc/67/09/89/947670989.db2.gz PRXLGXAAODEFKY-ZFWWWQNUSA-N -1 1 384.444 0.215 20 30 GCEDMM CC#CCCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001573358748 947670994 /nfs/dbraw/zinc/67/09/94/947670994.db2.gz PRXLGXAAODEFKY-ZFWWWQNUSA-N -1 1 384.444 0.215 20 30 GCEDMM C[C@@H](C(=O)N1CCC(c2ccc(C#N)cn2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573626915 947714298 /nfs/dbraw/zinc/71/42/98/947714298.db2.gz XJGYTXGHKQVHNS-NSHDSACASA-N -1 1 378.400 0.692 20 30 GCEDMM Cc1cc(C)n(N=Cc2cn(Cc3cccnc3)nn2)c(=O)c1-c1nn[n-]n1 ZINC000826265737 947766392 /nfs/dbraw/zinc/76/63/92/947766392.db2.gz LKGJXQCLSYHNOR-UHFFFAOYSA-N -1 1 376.384 0.562 20 30 GCEDMM Cc1cccc(Cn2[nH]ccc2=NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c1 ZINC000826298049 947863576 /nfs/dbraw/zinc/86/35/76/947863576.db2.gz AVXSNYGTMGZNEQ-UHFFFAOYSA-N -1 1 388.395 0.549 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1-c1nnn[n-]1 ZINC000826344390 948006567 /nfs/dbraw/zinc/00/65/67/948006567.db2.gz GMYPHSXZDQCYSJ-HNNXBMFYSA-N -1 1 392.423 0.942 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1-c1nn[n-]n1 ZINC000826344390 948006574 /nfs/dbraw/zinc/00/65/74/948006574.db2.gz GMYPHSXZDQCYSJ-HNNXBMFYSA-N -1 1 392.423 0.942 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3ccccc3C#N)CC2)c1-c1nnn[n-]1 ZINC000826344583 948009573 /nfs/dbraw/zinc/00/95/73/948009573.db2.gz LUIYBBDKMKICMV-UHFFFAOYSA-N -1 1 378.396 0.926 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3ccccc3C#N)CC2)c1-c1nn[n-]n1 ZINC000826344583 948009584 /nfs/dbraw/zinc/00/95/84/948009584.db2.gz LUIYBBDKMKICMV-UHFFFAOYSA-N -1 1 378.396 0.926 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000826382916 948179020 /nfs/dbraw/zinc/17/90/20/948179020.db2.gz ANVLQBVORLXNRH-UHFFFAOYSA-N -1 1 385.298 0.560 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000826383047 948179833 /nfs/dbraw/zinc/17/98/33/948179833.db2.gz HXZSFSGFIGZPCQ-UHFFFAOYSA-N -1 1 387.289 0.978 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000826382908 948180324 /nfs/dbraw/zinc/18/03/24/948180324.db2.gz AETVBBNSMISGTA-UHFFFAOYSA-N -1 1 395.774 0.808 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000826383316 948182786 /nfs/dbraw/zinc/18/27/86/948182786.db2.gz VFALOKRTYCTHKS-UHFFFAOYSA-N -1 1 383.441 0.341 20 30 GCEDMM N#Cc1ncn(Cc2nnnn2-c2ccc(OC(F)F)cc2)c1-c1nn[n-]n1 ZINC000826388240 948194544 /nfs/dbraw/zinc/19/45/44/948194544.db2.gz OKTKMOJJFGBPDL-UHFFFAOYSA-N -1 1 385.298 0.560 20 30 GCEDMM N#Cc1ncn(Cc2nnc(C(=O)NCc3ccccc3)s2)c1-c1nn[n-]n1 ZINC000826388453 948196766 /nfs/dbraw/zinc/19/67/66/948196766.db2.gz ZTQSNNJVBAYEBT-UHFFFAOYSA-N -1 1 392.408 0.765 20 30 GCEDMM C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169080 949662404 /nfs/dbraw/zinc/66/24/04/949662404.db2.gz DYFFNLUKNWOUPI-BXUZGUMPSA-N -1 1 392.427 0.631 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575883846 949828458 /nfs/dbraw/zinc/82/84/58/949828458.db2.gz HIRKUQDKWWFOEC-JQWIXIFHSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575883846 949828477 /nfs/dbraw/zinc/82/84/77/949828477.db2.gz HIRKUQDKWWFOEC-JQWIXIFHSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575883852 949832720 /nfs/dbraw/zinc/83/27/20/949832720.db2.gz HIRKUQDKWWFOEC-PWSUYJOCSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575883852 949832738 /nfs/dbraw/zinc/83/27/38/949832738.db2.gz HIRKUQDKWWFOEC-PWSUYJOCSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575890557 949958016 /nfs/dbraw/zinc/95/80/16/949958016.db2.gz YACRWRTZTZNRMV-ZWNOBZJWSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575890557 949958031 /nfs/dbraw/zinc/95/80/31/949958031.db2.gz YACRWRTZTZNRMV-ZWNOBZJWSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575891733 950030086 /nfs/dbraw/zinc/03/00/86/950030086.db2.gz NGLROHNVDMPJJX-CMPLNLGQSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891733 950030107 /nfs/dbraw/zinc/03/01/07/950030107.db2.gz NGLROHNVDMPJJX-CMPLNLGQSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192779 950268354 /nfs/dbraw/zinc/26/83/54/950268354.db2.gz QYGHLTVMYFMZKR-VXGBXAGGSA-N -1 1 392.427 0.489 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@](O)(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001573852413 950306200 /nfs/dbraw/zinc/30/62/00/950306200.db2.gz HWITZGSHQJFYFV-INIZCTEOSA-N -1 1 387.404 0.312 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@](O)(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001573852413 950306223 /nfs/dbraw/zinc/30/62/23/950306223.db2.gz HWITZGSHQJFYFV-INIZCTEOSA-N -1 1 387.404 0.312 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)[C@H](O)C1 ZINC001573853530 950328988 /nfs/dbraw/zinc/32/89/88/950328988.db2.gz RCLQGOXIDGTVOA-GXSJLCMTSA-N -1 1 387.404 0.311 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)[C@H](O)C1 ZINC001573853530 950329013 /nfs/dbraw/zinc/32/90/13/950329013.db2.gz RCLQGOXIDGTVOA-GXSJLCMTSA-N -1 1 387.404 0.311 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)[C@@H](O)C1 ZINC001573854012 950334896 /nfs/dbraw/zinc/33/48/96/950334896.db2.gz WQFDJWLOMADNMM-KOLCDFICSA-N -1 1 387.404 0.311 20 30 GCEDMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575139811 952142052 /nfs/dbraw/zinc/14/20/52/952142052.db2.gz CHLZTIXVULDPFO-KRWDZBQOSA-N -1 1 378.400 0.289 20 30 GCEDMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575155577 952242481 /nfs/dbraw/zinc/24/24/81/952242481.db2.gz NRYXDSLAKNMMCN-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575155577 952242488 /nfs/dbraw/zinc/24/24/88/952242488.db2.gz NRYXDSLAKNMMCN-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575156811 952255915 /nfs/dbraw/zinc/25/59/15/952255915.db2.gz VUUQHVIBSNMEAY-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM 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ZINC000735374226 599227878 /nfs/dbraw/zinc/22/78/78/599227878.db2.gz FOWZJYRONLKYMB-UHFFFAOYSA-N -1 1 376.424 0.944 20 30 GCEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1CCN(CC#N)CC1 ZINC000737201070 599279543 /nfs/dbraw/zinc/27/95/43/599279543.db2.gz QBTUXWBTIIEKGH-UHFFFAOYSA-N -1 1 398.471 0.869 20 30 GCEDMM C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735391175 598266292 /nfs/dbraw/zinc/26/62/92/598266292.db2.gz NZPOZMQLDAWYCK-UHFFFAOYSA-N -1 1 383.393 0.160 20 30 GCEDMM C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735391175 598266294 /nfs/dbraw/zinc/26/62/94/598266294.db2.gz NZPOZMQLDAWYCK-UHFFFAOYSA-N -1 1 383.393 0.160 20 30 GCEDMM CC(C)COC(=O)N1CCC(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC1 ZINC000735839412 598300226 /nfs/dbraw/zinc/30/02/26/598300226.db2.gz TZNBKFSINZRPMJ-UHFFFAOYSA-N -1 1 387.404 0.905 20 30 GCEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccncc1C#N ZINC000737488792 598382077 /nfs/dbraw/zinc/38/20/77/598382077.db2.gz XIYTVMVUWLIJQI-UHFFFAOYSA-N -1 1 388.395 0.786 20 30 GCEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ccncc1C#N ZINC000737488792 598382078 /nfs/dbraw/zinc/38/20/78/598382078.db2.gz XIYTVMVUWLIJQI-UHFFFAOYSA-N -1 1 388.395 0.786 20 30 GCEDMM COc1ccc(-c2nc(SCC(=O)NCC#N)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737055636 598531853 /nfs/dbraw/zinc/53/18/53/598531853.db2.gz HUKKESCPURBUJY-UHFFFAOYSA-N -1 1 398.408 0.770 20 30 GCEDMM N#Cc1[n-]c(NC(=O)c2c[nH]c(=O)c(Br)c2)nc1-c1nn[nH]n1 ZINC000822815051 599314714 /nfs/dbraw/zinc/31/47/14/599314714.db2.gz NIAQPZXTMWTCOG-UHFFFAOYSA-N -1 1 376.134 0.577 20 30 GCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)nc1-c1nn[nH]n1 ZINC000822815369 599314743 /nfs/dbraw/zinc/31/47/43/599314743.db2.gz PVJPEAGCLYHNLW-VHSXEESVSA-N -1 1 378.352 0.975 20 30 GCEDMM C=CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000823903707 607464356 /nfs/dbraw/zinc/46/43/56/607464356.db2.gz HZMKKEILCGMKNK-LBPRGKRZSA-N -1 1 394.457 0.690 20 30 GCEDMM CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000830608772 600727907 /nfs/dbraw/zinc/72/79/07/600727907.db2.gz IBSSWHJMLBDYQI-UHFFFAOYSA-N -1 1 391.453 0.592 20 30 GCEDMM CCN(C[C@@H](C)C#N)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825399416 607715825 /nfs/dbraw/zinc/71/58/25/607715825.db2.gz SHGQZECZENYNKM-NSHDSACASA-N -1 1 380.412 0.893 20 30 GCEDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C#N)C1 ZINC000819933172 606640685 /nfs/dbraw/zinc/64/06/85/606640685.db2.gz IPJVCMNGSKDYOP-LBPRGKRZSA-N -1 1 384.400 0.847 20 30 GCEDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C#N)C1 ZINC000819933172 606640686 /nfs/dbraw/zinc/64/06/86/606640686.db2.gz IPJVCMNGSKDYOP-LBPRGKRZSA-N -1 1 384.400 0.847 20 30 GCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)nc1-c1nn[nH]n1 ZINC000822814513 606642341 /nfs/dbraw/zinc/64/23/41/606642341.db2.gz HCQQGDJPGAKFLT-SNVBAGLBSA-N -1 1 398.431 0.764 20 30 GCEDMM CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820789021 606780681 /nfs/dbraw/zinc/78/06/81/606780681.db2.gz TYVDXXWQCUBPDA-SCLBCKFNSA-N -1 1 398.475 0.222 20 30 GCEDMM CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820789021 606780683 /nfs/dbraw/zinc/78/06/83/606780683.db2.gz TYVDXXWQCUBPDA-SCLBCKFNSA-N -1 1 398.475 0.222 20 30 GCEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)cn1C ZINC000820789043 606821987 /nfs/dbraw/zinc/82/19/87/606821987.db2.gz UHNDGUNTMDXWCF-LLVKDONJSA-N -1 1 378.400 0.218 20 30 GCEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)cn1C ZINC000820789043 606821988 /nfs/dbraw/zinc/82/19/88/606821988.db2.gz UHNDGUNTMDXWCF-LLVKDONJSA-N -1 1 378.400 0.218 20 30 GCEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(C#N)c1 ZINC000820788694 606822118 /nfs/dbraw/zinc/82/21/18/606822118.db2.gz MKZMEOUSQOALJR-LBPRGKRZSA-N -1 1 375.396 0.879 20 30 GCEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(C#N)c1 ZINC000820788694 606822119 /nfs/dbraw/zinc/82/21/19/606822119.db2.gz MKZMEOUSQOALJR-LBPRGKRZSA-N -1 1 375.396 0.879 20 30 GCEDMM N#CCCn1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)n1 ZINC000822810652 607156068 /nfs/dbraw/zinc/15/60/68/607156068.db2.gz KKOXPAGGLKHMDK-UHFFFAOYSA-N -1 1 389.357 0.686 20 30 GCEDMM CC[C@H](C#N)Oc1cc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1OC ZINC000820842629 607216610 /nfs/dbraw/zinc/21/66/10/607216610.db2.gz OZQBAJMKEWWWAE-GFCCVEGCSA-N -1 1 397.399 0.464 20 30 GCEDMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C[C@@H](C)C#N)C3CC3)CC2)o1 ZINC000826322775 607832095 /nfs/dbraw/zinc/83/20/95/607832095.db2.gz AYSSYNGRIORISW-LBPRGKRZSA-N -1 1 399.459 0.436 20 30 GCEDMM Cc1cc(C)n(N=Cc2cnc(N3CCN(C)CC3)nc2)c(=O)c1-c1nnn[n-]1 ZINC000826265482 607885445 /nfs/dbraw/zinc/88/54/45/607885445.db2.gz AQIHPAUCOZIBNM-UHFFFAOYSA-N -1 1 394.443 0.069 20 30 GCEDMM C=CCCOCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000823898840 607940432 /nfs/dbraw/zinc/94/04/32/607940432.db2.gz DNAZDWBNNJKKHG-CYBMUJFWSA-N -1 1 387.448 0.470 20 30 GCEDMM C=CCCOCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000823898840 607940433 /nfs/dbraw/zinc/94/04/33/607940433.db2.gz DNAZDWBNNJKKHG-CYBMUJFWSA-N -1 1 387.448 0.470 20 30 GCEDMM CCc1csc(-n2cc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)cn2)n1 ZINC000825740437 608108378 /nfs/dbraw/zinc/10/83/78/608108378.db2.gz UMODDFHBWALVBA-UHFFFAOYSA-N -1 1 381.385 0.918 20 30 GCEDMM C#CCOCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823856777 608125959 /nfs/dbraw/zinc/12/59/59/608125959.db2.gz XXGHIFBNAQUCDU-UHFFFAOYSA-N -1 1 375.332 0.814 20 30 GCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)nc1-c1nn[nH]n1 ZINC000826382651 608200581 /nfs/dbraw/zinc/20/05/81/608200581.db2.gz ORMHAJVLGAZTQO-SSDOTTSWSA-N -1 1 399.321 0.731 20 30 GCEDMM C=CC[C@H](CO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000823888061 608469496 /nfs/dbraw/zinc/46/94/96/608469496.db2.gz DSHPFWIOKDFSKC-JTQLQIEISA-N -1 1 376.421 0.058 20 30 GCEDMM C=CC[C@H](CO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000823888061 608469497 /nfs/dbraw/zinc/46/94/97/608469497.db2.gz DSHPFWIOKDFSKC-JTQLQIEISA-N -1 1 376.421 0.058 20 30 GCEDMM COc1cc(NC(=O)CCn2cnc(C#N)c2-c2nn[n-]n2)cc(OC)c1OC ZINC000826180477 609186881 /nfs/dbraw/zinc/18/68/81/609186881.db2.gz JJSZGNUQYJCSDP-UHFFFAOYSA-N -1 1 398.383 0.989 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc(C#N)cc1 ZINC000825929794 609299055 /nfs/dbraw/zinc/29/90/55/609299055.db2.gz JVPWDVUYIJDWCM-UHFFFAOYSA-N -1 1 380.416 0.818 20 30 GCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc(C#N)cc1 ZINC000825929794 609299058 /nfs/dbraw/zinc/29/90/58/609299058.db2.gz JVPWDVUYIJDWCM-UHFFFAOYSA-N -1 1 380.416 0.818 20 30 GCEDMM O=C(NCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F)C1N=CC=CC1=O ZINC000735080549 640012773 /nfs/dbraw/zinc/01/27/73/640012773.db2.gz JALLMAWARZBYTB-BUHFOSPRSA-N -1 1 375.328 0.909 20 30 GCEDMM C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000744794818 640274007 /nfs/dbraw/zinc/27/40/07/640274007.db2.gz CWRMFNOJWSFITO-MRVPVSSYSA-N -1 1 375.428 0.677 20 30 GCEDMM C#CCNS(=O)(=O)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000761031490 640585823 /nfs/dbraw/zinc/58/58/23/640585823.db2.gz SQLBJJASMJDMTB-UHFFFAOYSA-N -1 1 385.873 0.833 20 30 GCEDMM C#CC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OC ZINC000839800199 640755109 /nfs/dbraw/zinc/75/51/09/640755109.db2.gz RYQONJPFZGCICY-NSHDSACASA-N -1 1 393.248 0.953 20 30 GCEDMM C#C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@H]1CCCO1 ZINC000773056406 640854356 /nfs/dbraw/zinc/85/43/56/640854356.db2.gz MDWMUENXJIJIDB-CHWSQXEVSA-N -1 1 376.431 0.656 20 30 GCEDMM C=CCOC[C@H]([N-]S(=O)(=O)C1CCN(C(=O)OCC)CC1)C(=O)OC ZINC000795399877 641517670 /nfs/dbraw/zinc/51/76/70/641517670.db2.gz AJABBYTWXLSPGU-ZDUSSCGKSA-N -1 1 378.447 0.271 20 30 GCEDMM CON(C)C(=O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000817148144 641874703 /nfs/dbraw/zinc/87/47/03/641874703.db2.gz DUQAGUCXTSECIH-UHFFFAOYSA-N -1 1 380.195 0.758 20 30 GCEDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(N)=O ZINC000830972497 642149261 /nfs/dbraw/zinc/14/92/61/642149261.db2.gz OCHKHGULJIGBBI-SECBINFHSA-N -1 1 380.195 0.238 20 30 GCEDMM C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1 ZINC000848958015 642569747 /nfs/dbraw/zinc/56/97/47/642569747.db2.gz HVGHHYBCYIGHLB-UHFFFAOYSA-N -1 1 382.467 0.512 20 30 GCEDMM N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(F)n2)C1 ZINC000848958637 642572847 /nfs/dbraw/zinc/57/28/47/642572847.db2.gz VMHQPLXTBRBQBE-ZDUSSCGKSA-N -1 1 394.425 0.620 20 30 GCEDMM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(SC)cn1 ZINC000848965695 642604293 /nfs/dbraw/zinc/60/42/93/642604293.db2.gz VEJPAXRWNCNUOC-LLVKDONJSA-N -1 1 377.513 0.876 20 30 GCEDMM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 ZINC000848965915 642604770 /nfs/dbraw/zinc/60/47/70/642604770.db2.gz XQDKNKCPPKQFFO-NSHDSACASA-N -1 1 376.504 0.780 20 30 GCEDMM N#Cc1ccc(N2CCC(NC(=O)CNC(=O)c3ncccc3[O-])CC2)nc1 ZINC001143528252 1192365909 /nfs/dbraw/zinc/36/59/09/1192365909.db2.gz KMAIBFRKGVDASZ-UHFFFAOYSA-N -1 1 380.408 0.569 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Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnc4c(c3)c(=O)n(C)c(=O)n4C)nc1-2 ZINC000429591877 1194339945 /nfs/dbraw/zinc/33/99/45/1194339945.db2.gz RSQVGLSLGSJXCK-LBPRGKRZSA-N -1 1 389.375 0.702 20 30 GCEDMM C=CCn1cc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nn1 ZINC000425177024 1194866710 /nfs/dbraw/zinc/86/67/10/1194866710.db2.gz DFLZHHYADITYDB-UHFFFAOYSA-N -1 1 381.370 0.622 20 30 GCEDMM N#C[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCN1Cc1ccccc1 ZINC000508404415 1196008175 /nfs/dbraw/zinc/00/81/75/1196008175.db2.gz NONXFUYGULCSFF-MRXNPFEDSA-N -1 1 379.420 0.754 20 30 GCEDMM N#Cc1ccc(N2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)CC2)c(Cl)c1 ZINC000444522490 1196500648 /nfs/dbraw/zinc/50/06/48/1196500648.db2.gz GWRWJITXCXAVEW-UHFFFAOYSA-N -1 1 383.799 0.905 20 30 GCEDMM C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])n1cnc(C#N)n1 ZINC000467502405 1196578180 /nfs/dbraw/zinc/57/81/80/1196578180.db2.gz LFWOKNHRVWGRDM-NSHDSACASA-N -1 1 390.425 0.840 20 30 GCEDMM Cn1c2ncc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2c(=O)n(C)c1=O 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QCSXEGSNWINFNZ-UONOGXRCSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573285881 946790597 /nfs/dbraw/zinc/79/05/97/946790597.db2.gz QCSXEGSNWINFNZ-UONOGXRCSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573285882 946793013 /nfs/dbraw/zinc/79/30/13/946793013.db2.gz QCSXEGSNWINFNZ-ZIAGYGMSSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573285882 946793022 /nfs/dbraw/zinc/79/30/22/946793022.db2.gz QCSXEGSNWINFNZ-ZIAGYGMSSA-N -1 1 384.444 0.736 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001573287495 946836917 /nfs/dbraw/zinc/83/69/17/946836917.db2.gz ISNACDXBPWZZSI-SFHVURJKSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)NCC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001573287489 946838784 /nfs/dbraw/zinc/83/87/84/946838784.db2.gz IPDCWNUQBZVXRO-ZDUSSCGKSA-N -1 1 389.423 0.679 20 30 GCEDMM C#Cc1ccc(C(=O)NCC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001573287489 946838794 /nfs/dbraw/zinc/83/87/94/946838794.db2.gz IPDCWNUQBZVXRO-ZDUSSCGKSA-N -1 1 389.423 0.679 20 30 GCEDMM C#Cc1ccc(C(=O)NCC=CCNc2nc(C)cc(-c3nnn[n-]3)n2)nc1 ZINC001573287540 946841193 /nfs/dbraw/zinc/84/11/93/946841193.db2.gz JLOXFGWAOPLLOP-PLNGDYQASA-N -1 1 375.396 0.740 20 30 GCEDMM C#Cc1ccc(C(=O)NCC=CCNc2nc(C)cc(-c3nn[n-]n3)n2)nc1 ZINC001573287540 946841201 /nfs/dbraw/zinc/84/12/01/946841201.db2.gz JLOXFGWAOPLLOP-PLNGDYQASA-N -1 1 375.396 0.740 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001573287746 946847294 /nfs/dbraw/zinc/84/72/94/946847294.db2.gz KUKQJSJAYJZWGB-AWEZNQCLSA-N -1 1 389.423 0.562 20 30 GCEDMM C#CCOCCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573287897 946848801 /nfs/dbraw/zinc/84/88/01/946848801.db2.gz PZBHTXRMHJKIPY-DZGCQCFKSA-N -1 1 382.428 0.124 20 30 GCEDMM C#CCOCCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573287897 946848809 /nfs/dbraw/zinc/84/88/09/946848809.db2.gz PZBHTXRMHJKIPY-DZGCQCFKSA-N -1 1 382.428 0.124 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)nc1 ZINC001573288131 946857248 /nfs/dbraw/zinc/85/72/48/946857248.db2.gz OIEMEOKTGCHGEI-CQSZACIVSA-N -1 1 375.396 0.075 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573288247 946861486 /nfs/dbraw/zinc/86/14/86/946861486.db2.gz JEJMGGLAWSXCNE-ABAIWWIYSA-N -1 1 375.396 0.606 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573288247 946861492 /nfs/dbraw/zinc/86/14/92/946861492.db2.gz JEJMGGLAWSXCNE-ABAIWWIYSA-N -1 1 375.396 0.606 20 30 GCEDMM C#Cc1ccc(C(=O)NC/C=C\CNc2cc(-c3nnn[n-]3)nc(CC)n2)cn1 ZINC001573289168 946881452 /nfs/dbraw/zinc/88/14/52/946881452.db2.gz WXTCEDCPYZRHFW-WAYWQWQTSA-N -1 1 389.423 0.994 20 30 GCEDMM C#Cc1ccc(C(=O)NC/C=C\CNc2cc(-c3nn[n-]n3)nc(CC)n2)cn1 ZINC001573289168 946881462 /nfs/dbraw/zinc/88/14/62/946881462.db2.gz WXTCEDCPYZRHFW-WAYWQWQTSA-N -1 1 389.423 0.994 20 30 GCEDMM C#CCOCCC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573289632 946887445 /nfs/dbraw/zinc/88/74/45/946887445.db2.gz OPAGVQYPSNDOTL-SECBINFHSA-N -1 1 381.849 0.711 20 30 GCEDMM C#CCOCCC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573289632 946887453 /nfs/dbraw/zinc/88/74/53/946887453.db2.gz OPAGVQYPSNDOTL-SECBINFHSA-N -1 1 381.849 0.711 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nnn[n-]3)C2)nc1 ZINC001573289706 946891174 /nfs/dbraw/zinc/89/11/74/946891174.db2.gz PKDKQAAYCCKSRK-LJQANCHMSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[n-]n3)C2)nc1 ZINC001573289706 946891183 /nfs/dbraw/zinc/89/11/83/946891183.db2.gz PKDKQAAYCCKSRK-LJQANCHMSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1ccccc1CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573289758 946893427 /nfs/dbraw/zinc/89/34/27/946893427.db2.gz CLRDYENZBFEQMW-OAHLLOKOSA-N -1 1 392.423 0.112 20 30 GCEDMM C#Cc1ccccc1CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573289758 946893438 /nfs/dbraw/zinc/89/34/38/946893438.db2.gz CLRDYENZBFEQMW-OAHLLOKOSA-N -1 1 392.423 0.112 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001573289867 946895253 /nfs/dbraw/zinc/89/52/53/946895253.db2.gz FBBZTCLHCZYILN-CJNGLKHVSA-N -1 1 388.435 0.964 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001573289867 946895268 /nfs/dbraw/zinc/89/52/68/946895268.db2.gz FBBZTCLHCZYILN-CJNGLKHVSA-N -1 1 388.435 0.964 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)cn1 ZINC001573290103 946898427 /nfs/dbraw/zinc/89/84/27/946898427.db2.gz UNNITCJYKDVCHO-FZMZJTMJSA-N -1 1 375.396 0.028 20 30 GCEDMM C#CCOc1ccc(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573290304 946903817 /nfs/dbraw/zinc/90/38/17/946903817.db2.gz VSCRFNXVSRDKKK-GFCCVEGCSA-N -1 1 378.396 0.899 20 30 GCEDMM C#CCOc1ccc(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573290304 946903828 /nfs/dbraw/zinc/90/38/28/946903828.db2.gz VSCRFNXVSRDKKK-GFCCVEGCSA-N -1 1 378.396 0.899 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)nc1 ZINC001573290956 946913126 /nfs/dbraw/zinc/91/31/26/946913126.db2.gz TUFWQDFXCWRIGW-IAQYHMDHSA-N -1 1 375.396 0.288 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)nc1 ZINC001573290956 946913134 /nfs/dbraw/zinc/91/31/34/946913134.db2.gz TUFWQDFXCWRIGW-IAQYHMDHSA-N -1 1 375.396 0.288 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573290836 946913496 /nfs/dbraw/zinc/91/34/96/946913496.db2.gz QRJQKVWVYVTOML-HXUWFJFHSA-N -1 1 388.435 0.966 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573290836 946913501 /nfs/dbraw/zinc/91/35/01/946913501.db2.gz QRJQKVWVYVTOML-HXUWFJFHSA-N -1 1 388.435 0.966 20 30 GCEDMM C#Cc1ccccc1CC(=O)NCCN(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001573291223 946915109 /nfs/dbraw/zinc/91/51/09/946915109.db2.gz YUMLQWQXNHMNRG-UHFFFAOYSA-N -1 1 376.424 0.823 20 30 GCEDMM C#Cc1ccccc1CC(=O)NCCN(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001573291223 946915122 /nfs/dbraw/zinc/91/51/22/946915122.db2.gz YUMLQWQXNHMNRG-UHFFFAOYSA-N -1 1 376.424 0.823 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001573292086 946928536 /nfs/dbraw/zinc/92/85/36/946928536.db2.gz OOHQBKIZXNSLDJ-MQMHXKEQSA-N -1 1 375.396 0.654 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001573292086 946928542 /nfs/dbraw/zinc/92/85/42/946928542.db2.gz OOHQBKIZXNSLDJ-MQMHXKEQSA-N -1 1 375.396 0.654 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573292345 946933258 /nfs/dbraw/zinc/93/32/58/946933258.db2.gz UJIKQOPUDLBPDP-HIFRSBDPSA-N -1 1 389.423 0.466 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)c1 ZINC001573292327 946934346 /nfs/dbraw/zinc/93/43/46/946934346.db2.gz TZHJPHDYECGEET-RISCZKNCSA-N -1 1 375.396 0.170 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001573292504 946935351 /nfs/dbraw/zinc/93/53/51/946935351.db2.gz WPLSNIQLHBVAOF-SWLSCSKDSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001573292504 946935356 /nfs/dbraw/zinc/93/53/56/946935356.db2.gz WPLSNIQLHBVAOF-SWLSCSKDSA-N -1 1 389.423 0.820 20 30 GCEDMM C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573561468 946964839 /nfs/dbraw/zinc/96/48/39/946964839.db2.gz LBXXSVYIIXSOQI-YUMQZZPRSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573561468 946964843 /nfs/dbraw/zinc/96/48/43/946964843.db2.gz LBXXSVYIIXSOQI-YUMQZZPRSA-N -1 1 384.853 0.392 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573294716 946996835 /nfs/dbraw/zinc/99/68/35/946996835.db2.gz JOMLLVJXUYLVCX-ZQIUZPCESA-N -1 1 398.471 0.971 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573294716 946996842 /nfs/dbraw/zinc/99/68/42/946996842.db2.gz JOMLLVJXUYLVCX-ZQIUZPCESA-N -1 1 398.471 0.971 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573295781 947027367 /nfs/dbraw/zinc/02/73/67/947027367.db2.gz UIPHTXJPHFFNRA-XEZPLFJOSA-N -1 1 384.444 0.723 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573295781 947027374 /nfs/dbraw/zinc/02/73/74/947027374.db2.gz UIPHTXJPHFFNRA-XEZPLFJOSA-N -1 1 384.444 0.723 20 30 GCEDMM C=C1CC(C)(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2OC)C1 ZINC001573296265 947044498 /nfs/dbraw/zinc/04/44/98/947044498.db2.gz MGFYNDUNVBAUCP-ZIAGYGMSSA-N -1 1 384.444 0.641 20 30 GCEDMM C=C1CC(C)(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2OC)C1 ZINC001573296265 947044509 /nfs/dbraw/zinc/04/45/09/947044509.db2.gz MGFYNDUNVBAUCP-ZIAGYGMSSA-N -1 1 384.444 0.641 20 30 GCEDMM C=C1CC(C)(C(=O)N2CCO[C@@H]([C@@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573298339 947073543 /nfs/dbraw/zinc/07/35/43/947073543.db2.gz OSPUVGXRJMYBIR-CHWSQXEVSA-N -1 1 384.444 0.463 20 30 GCEDMM C=C1CC(C)(C(=O)N(C)CCOCCN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573298378 947074813 /nfs/dbraw/zinc/07/48/13/947074813.db2.gz PAMMZTLHLGASQW-UHFFFAOYSA-N -1 1 386.460 0.924 20 30 GCEDMM C=C1CC(C)(C(=O)N(C)CCOCCN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573298378 947074825 /nfs/dbraw/zinc/07/48/25/947074825.db2.gz PAMMZTLHLGASQW-UHFFFAOYSA-N -1 1 386.460 0.924 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573570595 947091159 /nfs/dbraw/zinc/09/11/59/947091159.db2.gz RCEVDDRNOREJFD-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573570595 947091166 /nfs/dbraw/zinc/09/11/66/947091166.db2.gz RCEVDDRNOREJFD-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCO[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573570790 947093623 /nfs/dbraw/zinc/09/36/23/947093623.db2.gz UFOQYQRJUYZRQU-HTQZYQBOSA-N -1 1 382.837 0.776 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573299769 947101596 /nfs/dbraw/zinc/10/15/96/947101596.db2.gz LPZFICOMUVLUJU-WCQYABFASA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573299769 947101602 /nfs/dbraw/zinc/10/16/02/947101602.db2.gz LPZFICOMUVLUJU-WCQYABFASA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573301141 947130603 /nfs/dbraw/zinc/13/06/03/947130603.db2.gz ZINXZRFFEIRZOR-ZDUSSCGKSA-N -1 1 387.448 0.070 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573301141 947130606 /nfs/dbraw/zinc/13/06/06/947130606.db2.gz ZINXZRFFEIRZOR-ZDUSSCGKSA-N -1 1 387.448 0.070 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573575679 947140510 /nfs/dbraw/zinc/14/05/10/947140510.db2.gz AIZZARJPBWRGHX-UHLUBPPHSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573575679 947140517 /nfs/dbraw/zinc/14/05/17/947140517.db2.gz AIZZARJPBWRGHX-UHLUBPPHSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573577115 947161793 /nfs/dbraw/zinc/16/17/93/947161793.db2.gz MIHHWPSFIMTSFU-FUXBKTLASA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573577115 947161795 /nfs/dbraw/zinc/16/17/95/947161795.db2.gz MIHHWPSFIMTSFU-FUXBKTLASA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573577117 947162041 /nfs/dbraw/zinc/16/20/41/947162041.db2.gz MIHHWPSFIMTSFU-WPPNPWJKSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573577117 947162045 /nfs/dbraw/zinc/16/20/45/947162045.db2.gz MIHHWPSFIMTSFU-WPPNPWJKSA-N -1 1 382.837 0.194 20 30 GCEDMM C=CC(C)(C)C(=O)NC[C@]1(O)CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573306143 947167437 /nfs/dbraw/zinc/16/74/37/947167437.db2.gz YERIVWSMODSXMJ-GOSISDBHSA-N -1 1 386.460 0.489 20 30 GCEDMM C=CC(C)(C)C(=O)NC[C@]1(O)CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573306143 947167443 /nfs/dbraw/zinc/16/74/43/947167443.db2.gz YERIVWSMODSXMJ-GOSISDBHSA-N -1 1 386.460 0.489 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573578165 947182102 /nfs/dbraw/zinc/18/21/02/947182102.db2.gz ZFQQEQPHHXSBAE-WPPNPWJKSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573582185 947187735 /nfs/dbraw/zinc/18/77/35/947187735.db2.gz BTIHIWWBJCRBNI-DOMZBBRYSA-N -1 1 389.423 0.864 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573582185 947187741 /nfs/dbraw/zinc/18/77/41/947187741.db2.gz BTIHIWWBJCRBNI-DOMZBBRYSA-N -1 1 389.423 0.864 20 30 GCEDMM C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573309184 947191939 /nfs/dbraw/zinc/19/19/39/947191939.db2.gz DQLRBQYZSOKXRB-ZNZDAUKMSA-N -1 1 398.471 0.849 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573309088 947192070 /nfs/dbraw/zinc/19/20/70/947192070.db2.gz CLCQXTCRLMNGEJ-SGTLLEGYSA-N -1 1 386.460 0.583 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573309088 947192077 /nfs/dbraw/zinc/19/20/77/947192077.db2.gz CLCQXTCRLMNGEJ-SGTLLEGYSA-N -1 1 386.460 0.583 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N(CCO)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573309420 947198063 /nfs/dbraw/zinc/19/80/63/947198063.db2.gz IQXALYPRWAJECW-OAHLLOKOSA-N -1 1 381.462 0.192 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573309651 947205635 /nfs/dbraw/zinc/20/56/35/947205635.db2.gz MIBHDXRKQBUSDR-KPZWWZAWSA-N -1 1 386.460 0.705 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573309651 947205644 /nfs/dbraw/zinc/20/56/44/947205644.db2.gz MIBHDXRKQBUSDR-KPZWWZAWSA-N -1 1 386.460 0.705 20 30 GCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573310588 947222888 /nfs/dbraw/zinc/22/28/88/947222888.db2.gz YGFBTZHRHVAPAR-ACJLOTCBSA-N -1 1 386.460 0.889 20 30 GCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573310588 947222896 /nfs/dbraw/zinc/22/28/96/947222896.db2.gz YGFBTZHRHVAPAR-ACJLOTCBSA-N -1 1 386.460 0.889 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573586087 947278054 /nfs/dbraw/zinc/27/80/54/947278054.db2.gz ZGFXLYBIVVIABY-LBPRGKRZSA-N -1 1 389.423 0.995 20 30 GCEDMM CCS(=O)(=O)c1ccc2oc(Cn3cnc(-c4nn[n-]n4)c3C#N)nc2c1 ZINC000825669490 947287483 /nfs/dbraw/zinc/28/74/83/947287483.db2.gz YZBFCRFFFFTXRV-UHFFFAOYSA-N -1 1 384.381 0.918 20 30 GCEDMM C=CCCC(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573329725 947425466 /nfs/dbraw/zinc/42/54/66/947425466.db2.gz NTYLULKNSISJJO-CQSZACIVSA-N -1 1 383.460 0.346 20 30 GCEDMM C=CCCO[C@H](C)C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573336503 947506631 /nfs/dbraw/zinc/50/66/31/947506631.db2.gz ODNJBYVQWAVVPK-CYBMUJFWSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCCO[C@H](C)C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573336503 947506637 /nfs/dbraw/zinc/50/66/37/947506637.db2.gz ODNJBYVQWAVVPK-CYBMUJFWSA-N -1 1 386.460 0.971 20 30 GCEDMM C=CCCOCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573336588 947509688 /nfs/dbraw/zinc/50/96/88/947509688.db2.gz PLSKKZFLALJMLF-KRWDZBQOSA-N -1 1 388.432 0.015 20 30 GCEDMM C=CCCOCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573336588 947509699 /nfs/dbraw/zinc/50/96/99/947509699.db2.gz PLSKKZFLALJMLF-KRWDZBQOSA-N -1 1 388.432 0.015 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573337026 947513016 /nfs/dbraw/zinc/51/30/16/947513016.db2.gz SUHYIKFXDGOZEO-UONOGXRCSA-N -1 1 386.460 0.853 20 30 GCEDMM C=CCCn1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001573341125 947528418 /nfs/dbraw/zinc/52/84/18/947528418.db2.gz IBEXKGIZJOPKHG-LLVKDONJSA-N -1 1 381.404 0.151 20 30 GCEDMM C=CCCn1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001573341125 947528428 /nfs/dbraw/zinc/52/84/28/947528428.db2.gz IBEXKGIZJOPKHG-LLVKDONJSA-N -1 1 381.404 0.151 20 30 GCEDMM C=CCOCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573342862 947547713 /nfs/dbraw/zinc/54/77/13/947547713.db2.gz FTLDLQGWANUGMD-KBPBESRZSA-N -1 1 386.460 0.710 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573350236 947591516 /nfs/dbraw/zinc/59/15/16/947591516.db2.gz ADOGQGRQHLFKRL-YIZRAAEISA-N -1 1 399.864 0.457 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001573350233 947592433 /nfs/dbraw/zinc/59/24/33/947592433.db2.gz AAXXEUXNZUQVGL-MJBXVCDLSA-N -1 1 384.444 0.723 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001573350233 947592443 /nfs/dbraw/zinc/59/24/43/947592443.db2.gz AAXXEUXNZUQVGL-MJBXVCDLSA-N -1 1 384.444 0.723 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573350849 947603141 /nfs/dbraw/zinc/60/31/41/947603141.db2.gz JKDDZYFRPOAXMZ-AGIUHOORSA-N -1 1 384.444 0.897 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573350849 947603144 /nfs/dbraw/zinc/60/31/44/947603144.db2.gz JKDDZYFRPOAXMZ-AGIUHOORSA-N -1 1 384.444 0.897 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573351943 947622955 /nfs/dbraw/zinc/62/29/55/947622955.db2.gz XXMWNLFMQUJWRL-MJBXVCDLSA-N -1 1 384.444 0.675 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573351943 947622958 /nfs/dbraw/zinc/62/29/58/947622958.db2.gz XXMWNLFMQUJWRL-MJBXVCDLSA-N -1 1 384.444 0.675 20 30 GCEDMM Cc1ccc2c(c1)c(=O)n(C)c1nnc(Cn3cnc(-c4nn[n-]n4)c3C#N)n12 ZINC000826293939 947853564 /nfs/dbraw/zinc/85/35/64/947853564.db2.gz FJIJYAZSDAOAIV-UHFFFAOYSA-N -1 1 387.367 0.186 20 30 GCEDMM N#Cc1ncn(Cc2cccc(Cn3cnc(-c4nn[n-]n4)c3C#N)c2)c1C#N ZINC000826388035 948191506 /nfs/dbraw/zinc/19/15/06/948191506.db2.gz GEEIVKFGUMJUHY-UHFFFAOYSA-N -1 1 381.363 0.971 20 30 GCEDMM N#Cc1ncn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1-c1nn[n-]n1 ZINC000826388279 948193607 /nfs/dbraw/zinc/19/36/07/948193607.db2.gz PYSOMFBJOVJISA-UHFFFAOYSA-N -1 1 397.424 0.613 20 30 GCEDMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001575857754 949275788 /nfs/dbraw/zinc/27/57/88/949275788.db2.gz VDFZPHWXFXGJEF-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001575857754 949275804 /nfs/dbraw/zinc/27/58/04/949275804.db2.gz VDFZPHWXFXGJEF-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169081 949663592 /nfs/dbraw/zinc/66/35/92/949663592.db2.gz DYFFNLUKNWOUPI-FZMZJTMJSA-N -1 1 392.427 0.631 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575883842 949832286 /nfs/dbraw/zinc/83/22/86/949832286.db2.gz HIRKUQDKWWFOEC-CMPLNLGQSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575883842 949832307 /nfs/dbraw/zinc/83/23/07/949832307.db2.gz HIRKUQDKWWFOEC-CMPLNLGQSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575889607 949931304 /nfs/dbraw/zinc/93/13/04/949931304.db2.gz SXALHPCHVKXAEN-GWCFXTLKSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575889607 949931318 /nfs/dbraw/zinc/93/13/18/949931318.db2.gz SXALHPCHVKXAEN-GWCFXTLKSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575890541 949951482 /nfs/dbraw/zinc/95/14/82/949951482.db2.gz XSVPMZFBJAFGFA-ZYHUDNBSSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575890541 949951498 /nfs/dbraw/zinc/95/14/98/949951498.db2.gz XSVPMZFBJAFGFA-ZYHUDNBSSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191778 950209275 /nfs/dbraw/zinc/20/92/75/950209275.db2.gz KEJPRNIXHMIEOB-DGCLKSJQSA-N -1 1 392.427 0.489 20 30 GCEDMM C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191781 950209627 /nfs/dbraw/zinc/20/96/27/950209627.db2.gz KEJPRNIXHMIEOB-YPMHNXCESA-N -1 1 392.427 0.489 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)[C@@H](C#N)C1 ZINC001573852885 950311262 /nfs/dbraw/zinc/31/12/62/950311262.db2.gz KKLXWTFIHMIJEF-ONGXEEELSA-N -1 1 382.388 0.699 20 30 GCEDMM CC(C)(C)OC(=O)N1CC(CCO)(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001573853515 950325061 /nfs/dbraw/zinc/32/50/61/950325061.db2.gz QPJPOOFWHBTDBX-UHFFFAOYSA-N -1 1 387.404 0.312 20 30 GCEDMM CC(C)(C)OC(=O)N1CC(CCO)(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001573853515 950325084 /nfs/dbraw/zinc/32/50/84/950325084.db2.gz QPJPOOFWHBTDBX-UHFFFAOYSA-N -1 1 387.404 0.312 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001573857398 950405873 /nfs/dbraw/zinc/40/58/73/950405873.db2.gz QHRHQBBGCCARPU-ZYHUDNBSSA-N -1 1 383.416 0.974 20 30 GCEDMM CC(C)(C)OC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCO1 ZINC001573861258 950440891 /nfs/dbraw/zinc/44/08/91/950440891.db2.gz VRCRDEXSABLMRZ-SNVBAGLBSA-N -1 1 387.404 0.258 20 30 GCEDMM CC(C)(C)OC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCO1 ZINC001573861258 950440900 /nfs/dbraw/zinc/44/09/00/950440900.db2.gz VRCRDEXSABLMRZ-SNVBAGLBSA-N -1 1 387.404 0.258 20 30 GCEDMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575142158 952147129 /nfs/dbraw/zinc/14/71/29/952147129.db2.gz JIOBIOQBAIQWFD-QGZVFWFLSA-N -1 1 378.400 0.289 20 30 GCEDMM 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ZINC000737186075 598759263 /nfs/dbraw/zinc/75/92/63/598759263.db2.gz FXQWASYMNLXYAI-SNVBAGLBSA-N -1 1 386.441 0.502 20 30 GCEDMM C#CCN1CCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CC1 ZINC000735380374 598811554 /nfs/dbraw/zinc/81/15/54/598811554.db2.gz GHAUTZCDGVERAR-UHFFFAOYSA-N -1 1 393.455 0.236 20 30 GCEDMM C#CCN1CCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CC1 ZINC000735380374 598811556 /nfs/dbraw/zinc/81/15/56/598811556.db2.gz GHAUTZCDGVERAR-UHFFFAOYSA-N -1 1 393.455 0.236 20 30 GCEDMM N#Cc1[n-]c(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)nc1-c1nn[nH]n1 ZINC000822814933 599314630 /nfs/dbraw/zinc/31/46/30/599314630.db2.gz LSHQCWLBOJHQMP-UHFFFAOYSA-N -1 1 391.395 0.952 20 30 GCEDMM N#C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCN1C1CC1 ZINC000822806900 599345451 /nfs/dbraw/zinc/34/54/51/599345451.db2.gz VIHFIKVNPDAWDU-LLVKDONJSA-N -1 1 377.405 0.367 20 30 GCEDMM N#C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCN1C1CC1 ZINC000822806900 599345452 /nfs/dbraw/zinc/34/54/52/599345452.db2.gz VIHFIKVNPDAWDU-LLVKDONJSA-N -1 1 377.405 0.367 20 30 GCEDMM C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000630223478 601098894 /nfs/dbraw/zinc/09/88/94/601098894.db2.gz JICOGKKTYGXSAK-AWEZNQCLSA-N -1 1 395.481 0.772 20 30 GCEDMM COc1cc(-c2noc(Cn3c(N)nc(-c4nn[n-]n4)c3C#N)n2)ccc1C ZINC000826176746 607539161 /nfs/dbraw/zinc/53/91/61/607539161.db2.gz BLSALXICWMXPRD-UHFFFAOYSA-N -1 1 378.356 0.932 20 30 GCEDMM C#CCCN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823845473 607596917 /nfs/dbraw/zinc/59/69/17/607596917.db2.gz UJLFUPSIRPARMF-UHFFFAOYSA-N -1 1 380.861 0.850 20 30 GCEDMM C#CCCN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000823845473 607596919 /nfs/dbraw/zinc/59/69/19/607596919.db2.gz UJLFUPSIRPARMF-UHFFFAOYSA-N -1 1 380.861 0.850 20 30 GCEDMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N[C@@](C)(C#N)C(C)C ZINC000826295073 607718463 /nfs/dbraw/zinc/71/84/63/607718463.db2.gz PUUVZNLQFVOMIT-SFHVURJKSA-N -1 1 380.412 0.940 20 30 GCEDMM C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833364347 605104547 /nfs/dbraw/zinc/10/45/47/605104547.db2.gz PETNLCURBLPZLL-AWEZNQCLSA-N -1 1 393.465 0.219 20 30 GCEDMM C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC000833375581 605104556 /nfs/dbraw/zinc/10/45/56/605104556.db2.gz GMZNXZVMUYMTAC-AWEZNQCLSA-N -1 1 395.481 0.772 20 30 GCEDMM C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC000833364336 605250443 /nfs/dbraw/zinc/25/04/43/605250443.db2.gz OUFKFERMQMBUTP-AWEZNQCLSA-N -1 1 393.465 0.219 20 30 GCEDMM C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1 ZINC000833375818 605255110 /nfs/dbraw/zinc/25/51/10/605255110.db2.gz LRSRIVIHTJEZEA-CQSZACIVSA-N -1 1 395.481 0.772 20 30 GCEDMM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000820254822 606124695 /nfs/dbraw/zinc/12/46/95/606124695.db2.gz XUQLMTDPDVNDIQ-MRVPVSSYSA-N -1 1 375.393 0.903 20 30 GCEDMM COCCN(CCC#N)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821688902 606193027 /nfs/dbraw/zinc/19/30/27/606193027.db2.gz BQEIAKGIOSKUQJ-UHFFFAOYSA-N -1 1 397.443 0.848 20 30 GCEDMM COCCN(CCC#N)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821688902 606193029 /nfs/dbraw/zinc/19/30/29/606193029.db2.gz BQEIAKGIOSKUQJ-UHFFFAOYSA-N -1 1 397.443 0.848 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000822818517 606255829 /nfs/dbraw/zinc/25/58/29/606255829.db2.gz BELGLFWUFWPINT-UHFFFAOYSA-N -1 1 379.384 0.894 20 30 GCEDMM Cn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)s2)sc1=C(C#N)C(=O)C1CCC1 ZINC000822590084 606372667 /nfs/dbraw/zinc/37/26/67/606372667.db2.gz HNYSSIDPISHCQO-UHFFFAOYSA-N -1 1 398.473 0.561 20 30 GCEDMM CN1CCC(=O)Nc2cc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)ccc21 ZINC000821622324 606590785 /nfs/dbraw/zinc/59/07/85/606590785.db2.gz ZBUCZGBGQIJUKC-UHFFFAOYSA-N -1 1 378.356 0.492 20 30 GCEDMM N#Cc1[n-]c(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)nc1-c1nn[nH]n1 ZINC000822814512 606642183 /nfs/dbraw/zinc/64/21/83/606642183.db2.gz HCQQGDJPGAKFLT-JTQLQIEISA-N -1 1 398.431 0.764 20 30 GCEDMM CC(C)[C@](C)(C#N)NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820789022 606780451 /nfs/dbraw/zinc/78/04/51/606780451.db2.gz TYVDXXWQCUBPDA-UGSOOPFHSA-N -1 1 398.475 0.222 20 30 GCEDMM CC(C)[C@](C)(C#N)NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820789022 606780452 /nfs/dbraw/zinc/78/04/52/606780452.db2.gz TYVDXXWQCUBPDA-UGSOOPFHSA-N -1 1 398.475 0.222 20 30 GCEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000820789088 606819933 /nfs/dbraw/zinc/81/99/33/606819933.db2.gz VJPHTJYRUKTWFE-LBPRGKRZSA-N -1 1 375.396 0.879 20 30 GCEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000820789088 606819934 /nfs/dbraw/zinc/81/99/34/606819934.db2.gz VJPHTJYRUKTWFE-LBPRGKRZSA-N -1 1 375.396 0.879 20 30 GCEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1sccc1C#N ZINC000820788284 606829823 /nfs/dbraw/zinc/82/98/23/606829823.db2.gz CBSJMKZAGJTQMW-SNVBAGLBSA-N -1 1 381.425 0.941 20 30 GCEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1sccc1C#N ZINC000820788284 606829824 /nfs/dbraw/zinc/82/98/24/606829824.db2.gz CBSJMKZAGJTQMW-SNVBAGLBSA-N -1 1 381.425 0.941 20 30 GCEDMM N#C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCN1C1CC1 ZINC000822805924 606844570 /nfs/dbraw/zinc/84/45/70/606844570.db2.gz GVYXOQMIJKHXPO-GFCCVEGCSA-N -1 1 377.405 0.367 20 30 GCEDMM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1 ZINC000819933195 607145338 /nfs/dbraw/zinc/14/53/38/607145338.db2.gz JLONLQBEKUQMQP-SECBINFHSA-N -1 1 389.376 0.036 20 30 GCEDMM N#C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000822801188 607216200 /nfs/dbraw/zinc/21/62/00/607216200.db2.gz GGDOOQVWICSWQH-SNVBAGLBSA-N -1 1 393.289 0.738 20 30 GCEDMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCC[C@@](C)(C#N)C3)CC2)o1 ZINC000826323293 608126090 /nfs/dbraw/zinc/12/60/90/608126090.db2.gz YPGGCSHWTLJZIW-SFHVURJKSA-N -1 1 399.459 0.437 20 30 GCEDMM N#Cc1[n-]c(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)nc1-c1nn[nH]n1 ZINC000826382584 608252911 /nfs/dbraw/zinc/25/29/11/608252911.db2.gz LAHWYMCKDHMNIO-UHFFFAOYSA-N -1 1 392.314 0.399 20 30 GCEDMM N#Cc1[n-]c(NC(=O)c2cnn(-c3cccc(Cl)c3)n2)nc1-c1nn[nH]n1 ZINC000826382757 609268237 /nfs/dbraw/zinc/26/82/37/609268237.db2.gz SVXHGUIOAVFFIN-UHFFFAOYSA-N -1 1 381.747 0.948 20 30 GCEDMM N#Cc1ncn(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826388295 609313757 /nfs/dbraw/zinc/31/37/57/609313757.db2.gz QTSLUOFIWVJJLY-UHFFFAOYSA-N -1 1 379.319 0.293 20 30 GCEDMM C=CCNC(=O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823920158 609357229 /nfs/dbraw/zinc/35/72/29/609357229.db2.gz YLKAUJQWRMFKTJ-UHFFFAOYSA-N -1 1 385.363 0.615 20 30 GCEDMM N#C[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000826380708 609358939 /nfs/dbraw/zinc/35/89/39/609358939.db2.gz KBMSTAVFTPWVJR-JTQLQIEISA-N -1 1 383.347 0.948 20 30 GCEDMM Cn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)o2)sc1=C(C#N)C(=O)C1CCCC1 ZINC000826354687 609383642 /nfs/dbraw/zinc/38/36/42/609383642.db2.gz QEYUGVHPEPIILE-UHFFFAOYSA-N -1 1 396.432 0.482 20 30 GCEDMM Cn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)o2)sc1=C(C#N)C(=O)C1CCCC1 ZINC000826354687 609383643 /nfs/dbraw/zinc/38/36/43/609383643.db2.gz QEYUGVHPEPIILE-UHFFFAOYSA-N -1 1 396.432 0.482 20 30 GCEDMM CSc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n1 ZINC000349493960 639600759 /nfs/dbraw/zinc/60/07/59/639600759.db2.gz BRDMQJMWOAVYRJ-UHFFFAOYSA-N -1 1 390.512 0.720 20 30 GCEDMM CC(C)C(CS(=O)(=O)N(C)C)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000794916325 641500059 /nfs/dbraw/zinc/50/00/59/641500059.db2.gz WBJCAKAESAMDAD-UHFFFAOYSA-N -1 1 392.459 0.777 20 30 GCEDMM NS(=O)(=O)c1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000811644374 641759509 /nfs/dbraw/zinc/75/95/09/641759509.db2.gz VYXLRPSOBTVFJR-UHFFFAOYSA-N -1 1 384.395 0.555 20 30 GCEDMM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)c(C#N)cn1 ZINC000848959728 642578473 /nfs/dbraw/zinc/57/84/73/642578473.db2.gz PTNXFLNZGXUPDP-ZDUSSCGKSA-N -1 1 384.483 0.677 20 30 GCEDMM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)[nH]nc1C(F)F ZINC000848961558 642586020 /nfs/dbraw/zinc/58/60/20/642586020.db2.gz BRQQTOUQZSBDMJ-UHFFFAOYSA-N -1 1 384.430 0.682 20 30 GCEDMM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1)[C@H]1CCCO1 ZINC000848963825 642596572 /nfs/dbraw/zinc/59/65/72/642596572.db2.gz DCGKVCYRRRLMFU-ZIAGYGMSSA-N -1 1 387.483 0.314 20 30 GCEDMM C#C[C@@H](C)NS(=O)(=O)CCCCS(=O)(=O)[N-]c1ccc(C#N)c(C)n1 ZINC000848967533 642612098 /nfs/dbraw/zinc/61/20/98/642612098.db2.gz AWDCCVUOJWVQIO-GFCCVEGCSA-N -1 1 384.483 0.725 20 30 GCEDMM C#C[C@H](C)NS(=O)(=O)CCCCS(=O)(=O)[N-]c1ccc(C#N)c(C)n1 ZINC000848967534 642612124 /nfs/dbraw/zinc/61/21/24/642612124.db2.gz AWDCCVUOJWVQIO-LBPRGKRZSA-N -1 1 384.483 0.725 20 30 GCEDMM C#C[C@H](C)NS(=O)(=O)CCCCS(=O)(=O)[N-]c1cc(C)c(C#N)cn1 ZINC000848967690 642612620 /nfs/dbraw/zinc/61/26/20/642612620.db2.gz DYOUEPZWKWKNHS-ZDUSSCGKSA-N -1 1 384.483 0.725 20 30 GCEDMM C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1cccc(C#N)n1 ZINC000848969566 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/nfs/dbraw/zinc/78/90/15/946789015.db2.gz QCSXEGSNWINFNZ-KGLIPLIRSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573285880 946789022 /nfs/dbraw/zinc/78/90/22/946789022.db2.gz QCSXEGSNWINFNZ-KGLIPLIRSA-N -1 1 384.444 0.736 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573286235 946798631 /nfs/dbraw/zinc/79/86/31/946798631.db2.gz WUIWXGNMPHUQRJ-KBPBESRZSA-N -1 1 384.444 0.878 20 30 GCEDMM C#CCO[C@@H](C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573286235 946798638 /nfs/dbraw/zinc/79/86/38/946798638.db2.gz WUIWXGNMPHUQRJ-KBPBESRZSA-N -1 1 384.444 0.878 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573286347 946802389 /nfs/dbraw/zinc/80/23/89/946802389.db2.gz ZFINUTURPNQNOT-ZIAGYGMSSA-N -1 1 384.444 0.878 20 30 GCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573286347 946802395 /nfs/dbraw/zinc/80/23/95/946802395.db2.gz ZFINUTURPNQNOT-ZIAGYGMSSA-N 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C#Cc1ccc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001573286752 946818276 /nfs/dbraw/zinc/81/82/76/946818276.db2.gz AXHRSVMFAAICMV-CYBMUJFWSA-N -1 1 375.396 0.172 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573287871 946849934 /nfs/dbraw/zinc/84/99/34/946849934.db2.gz PXBXFHKNSLXWTA-HZSPNIEDSA-N -1 1 384.444 0.274 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573287871 946849949 /nfs/dbraw/zinc/84/99/49/946849949.db2.gz PXBXFHKNSLXWTA-HZSPNIEDSA-N -1 1 384.444 0.274 20 30 GCEDMM C#Cc1ccc(C(=O)NCCN(CCC)c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001573288129 946857724 /nfs/dbraw/zinc/85/77/24/946857724.db2.gz OHRSNDWCZOVKPV-UHFFFAOYSA-N -1 1 377.412 0.679 20 30 GCEDMM C#Cc1ccc(C(=O)NCCN(CCC)c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001573288129 946857735 /nfs/dbraw/zinc/85/77/35/946857735.db2.gz OHRSNDWCZOVKPV-UHFFFAOYSA-N -1 1 377.412 0.679 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)nc1 ZINC001573288253 946861868 /nfs/dbraw/zinc/86/18/68/946861868.db2.gz JEJMGGLAWSXCNE-NHYWBVRUSA-N -1 1 375.396 0.606 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)nc1 ZINC001573288253 946861878 /nfs/dbraw/zinc/86/18/78/946861878.db2.gz JEJMGGLAWSXCNE-NHYWBVRUSA-N -1 1 375.396 0.606 20 30 GCEDMM C#CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573288613 946872673 /nfs/dbraw/zinc/87/26/73/946872673.db2.gz WKJLLGUCVYIZFE-KGLIPLIRSA-N -1 1 384.444 0.479 20 30 GCEDMM C#CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573288613 946872681 /nfs/dbraw/zinc/87/26/81/946872681.db2.gz WKJLLGUCVYIZFE-KGLIPLIRSA-N -1 1 384.444 0.479 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573288607 946873040 /nfs/dbraw/zinc/87/30/40/946873040.db2.gz WKJLLGUCVYIZFE-KBPBESRZSA-N -1 1 384.444 0.479 20 30 GCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573288607 946873051 /nfs/dbraw/zinc/87/30/51/946873051.db2.gz WKJLLGUCVYIZFE-KBPBESRZSA-N -1 1 384.444 0.479 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC001573288680 946873173 /nfs/dbraw/zinc/87/31/73/946873173.db2.gz SOPAASULHXRMFP-TZMCWYRMSA-N -1 1 389.423 0.535 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC001573288680 946873187 /nfs/dbraw/zinc/87/31/87/946873187.db2.gz SOPAASULHXRMFP-TZMCWYRMSA-N -1 1 389.423 0.535 20 30 GCEDMM C#CCO[C@H](C)C(=O)NCC1CC(Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573288649 946874962 /nfs/dbraw/zinc/87/49/62/946874962.db2.gz WYVORITVLBVFML-PNESKVBLSA-N -1 1 384.444 0.564 20 30 GCEDMM C#CCO[C@H](C)C(=O)NCC1CC(Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573288649 946874970 /nfs/dbraw/zinc/87/49/70/946874970.db2.gz WYVORITVLBVFML-PNESKVBLSA-N -1 1 384.444 0.564 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(CC)c2cncc(-c3nnn[n-]3)n2)nc1 ZINC001573289231 946882292 /nfs/dbraw/zinc/88/22/92/946882292.db2.gz XLTHORBSUXWTGK-GFCCVEGCSA-N -1 1 377.412 0.678 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(CC)c2cncc(-c3nn[n-]n3)n2)nc1 ZINC001573289231 946882304 /nfs/dbraw/zinc/88/23/04/946882304.db2.gz XLTHORBSUXWTGK-GFCCVEGCSA-N -1 1 377.412 0.678 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)CCCN(C)c2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001573289640 946890434 /nfs/dbraw/zinc/89/04/34/946890434.db2.gz OTBVDMJYKJKGRU-UHFFFAOYSA-N -1 1 377.412 0.632 20 30 GCEDMM C#Cc1ccc(C(=O)N(C)CCCN(C)c2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001573289640 946890447 /nfs/dbraw/zinc/89/04/47/946890447.db2.gz OTBVDMJYKJKGRU-UHFFFAOYSA-N -1 1 377.412 0.632 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573289907 946895432 /nfs/dbraw/zinc/89/54/32/946895432.db2.gz RDBXNFLAHPBTHE-AWEZNQCLSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573289907 946895442 /nfs/dbraw/zinc/89/54/42/946895442.db2.gz RDBXNFLAHPBTHE-AWEZNQCLSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001573290258 946900467 /nfs/dbraw/zinc/90/04/67/946900467.db2.gz IFZSKMXWIPBKAT-CJNGLKHVSA-N -1 1 388.435 0.964 20 30 GCEDMM C#Cc1ccccc1CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573290258 946900473 /nfs/dbraw/zinc/90/04/73/946900473.db2.gz IFZSKMXWIPBKAT-CJNGLKHVSA-N -1 1 388.435 0.964 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001573291005 946914434 /nfs/dbraw/zinc/91/44/34/946914434.db2.gz VCECEUGCTLKOAB-AWEZNQCLSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001573291005 946914439 /nfs/dbraw/zinc/91/44/39/946914439.db2.gz VCECEUGCTLKOAB-AWEZNQCLSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001573291677 946922385 /nfs/dbraw/zinc/92/23/85/946922385.db2.gz HYRLUBGTGJHHTG-GXTWGEPZSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001573291677 946922396 /nfs/dbraw/zinc/92/23/96/946922396.db2.gz HYRLUBGTGJHHTG-GXTWGEPZSA-N -1 1 389.423 0.996 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001573291876 946924610 /nfs/dbraw/zinc/92/46/10/946924610.db2.gz LIXZJOYUVOWRHK-UKRRQHHQSA-N -1 1 389.423 0.466 20 30 GCEDMM C#Cc1cncc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)c1 ZINC001573292254 946930782 /nfs/dbraw/zinc/93/07/82/946930782.db2.gz QVTVSRPPPJQIBZ-UHFFFAOYSA-N -1 1 375.396 0.798 20 30 GCEDMM C#Cc1cncc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)c1 ZINC001573292254 946930792 /nfs/dbraw/zinc/93/07/92/946930792.db2.gz QVTVSRPPPJQIBZ-UHFFFAOYSA-N -1 1 375.396 0.798 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001573292282 946931086 /nfs/dbraw/zinc/93/10/86/946931086.db2.gz RQIXEYAAHROIIB-CQSZACIVSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001573292282 946931097 /nfs/dbraw/zinc/93/10/97/946931097.db2.gz RQIXEYAAHROIIB-CQSZACIVSA-N -1 1 375.396 0.432 20 30 GCEDMM C=C(C)C(C)(C)C(=O)NC[C@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001573293233 946951465 /nfs/dbraw/zinc/95/14/65/946951465.db2.gz PLYXJJNKIPEASA-GOSISDBHSA-N -1 1 386.460 0.971 20 30 GCEDMM C=C(C)C(C)(C)C(=O)NC[C@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001573293233 946951475 /nfs/dbraw/zinc/95/14/75/946951475.db2.gz PLYXJJNKIPEASA-GOSISDBHSA-N -1 1 386.460 0.971 20 30 GCEDMM C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573561199 946959414 /nfs/dbraw/zinc/95/94/14/946959414.db2.gz JDSIIKWFUIHYCG-HTQZYQBOSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573561201 946960132 /nfs/dbraw/zinc/96/01/32/946960132.db2.gz JDSIIKWFUIHYCG-SFYZADRCSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573561731 946967219 /nfs/dbraw/zinc/96/72/19/946967219.db2.gz MNAHWALVNBPVCV-SFYZADRCSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573561731 946967227 /nfs/dbraw/zinc/96/72/27/946967227.db2.gz MNAHWALVNBPVCV-SFYZADRCSA-N -1 1 384.853 0.392 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001573564416 946991733 /nfs/dbraw/zinc/99/17/33/946991733.db2.gz IFFDHCHSPOGKRH-JSGCOSHPSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCC([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573564416 946991744 /nfs/dbraw/zinc/99/17/44/946991744.db2.gz IFFDHCHSPOGKRH-JSGCOSHPSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573565186 947002077 /nfs/dbraw/zinc/00/20/77/947002077.db2.gz OINCCWAETUOHRZ-OCCSQVGLSA-N -1 1 381.444 0.881 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCC([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573565186 947002083 /nfs/dbraw/zinc/00/20/83/947002083.db2.gz OINCCWAETUOHRZ-OCCSQVGLSA-N -1 1 381.444 0.881 20 30 GCEDMM C=C1CC(C)(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCCO2)C1 ZINC001573296270 947042764 /nfs/dbraw/zinc/04/27/64/947042764.db2.gz MHRIYVMIJWJXQC-ZDUSSCGKSA-N -1 1 384.444 0.725 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573298086 947068759 /nfs/dbraw/zinc/06/87/59/947068759.db2.gz AHTLOTGZOSSKJA-RISCZKNCSA-N -1 1 387.448 0.386 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573298086 947068767 /nfs/dbraw/zinc/06/87/67/947068767.db2.gz AHTLOTGZOSSKJA-RISCZKNCSA-N -1 1 387.448 0.386 20 30 GCEDMM C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573569687 947075296 /nfs/dbraw/zinc/07/52/96/947075296.db2.gz DTCUXUWVINSWCA-NQMVMOMDSA-N -1 1 381.322 0.618 20 30 GCEDMM C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573569687 947075304 /nfs/dbraw/zinc/07/53/04/947075304.db2.gz DTCUXUWVINSWCA-NQMVMOMDSA-N -1 1 381.322 0.618 20 30 GCEDMM C=C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccccc1 ZINC001573298903 947084786 /nfs/dbraw/zinc/08/47/86/947084786.db2.gz AJZONHCEOLXDIS-KFWWJZLASA-N -1 1 392.423 0.292 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCOC2(CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001573571159 947102124 /nfs/dbraw/zinc/10/21/24/947102124.db2.gz ZWIWNBJFDHUELC-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCOC2(CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001573571159 947102132 /nfs/dbraw/zinc/10/21/32/947102132.db2.gz ZWIWNBJFDHUELC-GFCCVEGCSA-N -1 1 383.416 0.014 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573299765 947102466 /nfs/dbraw/zinc/10/24/66/947102466.db2.gz LPZFICOMUVLUJU-AAEUAGOBSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573299765 947102474 /nfs/dbraw/zinc/10/24/74/947102474.db2.gz LPZFICOMUVLUJU-AAEUAGOBSA-N -1 1 387.448 0.434 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573301075 947128271 /nfs/dbraw/zinc/12/82/71/947128271.db2.gz YOZBLSMMAUDECW-BXUZGUMPSA-N -1 1 387.448 0.353 20 30 GCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573301075 947128278 /nfs/dbraw/zinc/12/82/78/947128278.db2.gz YOZBLSMMAUDECW-BXUZGUMPSA-N -1 1 387.448 0.353 20 30 GCEDMM C=C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1ccccc1 ZINC001573301366 947136421 /nfs/dbraw/zinc/13/64/21/947136421.db2.gz ZKDNJCDWDLQIDY-NUEKZKHPSA-N -1 1 392.423 0.292 20 30 GCEDMM C=C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccccc1 ZINC001573301366 947136432 /nfs/dbraw/zinc/13/64/32/947136432.db2.gz ZKDNJCDWDLQIDY-NUEKZKHPSA-N -1 1 392.423 0.292 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573575681 947141852 /nfs/dbraw/zinc/14/18/52/947141852.db2.gz AIZZARJPBWRGHX-WPPNPWJKSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573575681 947141860 /nfs/dbraw/zinc/14/18/60/947141860.db2.gz AIZZARJPBWRGHX-WPPNPWJKSA-N -1 1 382.837 0.194 20 30 GCEDMM C#CCN1CCC(NC(=O)[C@@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001602701033 971325202 /nfs/dbraw/zinc/32/52/02/971325202.db2.gz SKYBHRACWGOWEM-LJQANCHMSA-N -1 1 395.456 0.291 20 30 GCEDMM CCN(CC(=O)NCc1cccs1)C(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000825394512 947171702 /nfs/dbraw/zinc/17/17/02/947171702.db2.gz FRJBKIJPCUBOIH-UHFFFAOYSA-N -1 1 399.440 0.161 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCO1 ZINC001573581993 947187348 /nfs/dbraw/zinc/18/73/48/947187348.db2.gz BJOPYVDMZGVVHO-SFYZADRCSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001573581993 947187353 /nfs/dbraw/zinc/18/73/53/947187353.db2.gz BJOPYVDMZGVVHO-SFYZADRCSA-N -1 1 382.837 0.458 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573309227 947194258 /nfs/dbraw/zinc/19/42/58/947194258.db2.gz FJNUSPKNJDLMTF-AEDCBLDQSA-N -1 1 386.460 0.805 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573309227 947194264 /nfs/dbraw/zinc/19/42/64/947194264.db2.gz FJNUSPKNJDLMTF-AEDCBLDQSA-N -1 1 386.460 0.805 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001573309353 947197011 /nfs/dbraw/zinc/19/70/11/947197011.db2.gz HJHCGYALNMIVOS-IGNZVWTISA-N -1 1 384.444 0.459 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001573309353 947197015 /nfs/dbraw/zinc/19/70/15/947197015.db2.gz HJHCGYALNMIVOS-IGNZVWTISA-N -1 1 384.444 0.459 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573309540 947203449 /nfs/dbraw/zinc/20/34/49/947203449.db2.gz KJNKKQHIUXJOIH-JCGVRSQUSA-N -1 1 384.444 0.554 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573309540 947203459 /nfs/dbraw/zinc/20/34/59/947203459.db2.gz KJNKKQHIUXJOIH-JCGVRSQUSA-N -1 1 384.444 0.554 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573309652 947205386 /nfs/dbraw/zinc/20/53/86/947205386.db2.gz MIBHDXRKQBUSDR-SGTLLEGYSA-N -1 1 386.460 0.705 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573309652 947205399 /nfs/dbraw/zinc/20/53/99/947205399.db2.gz MIBHDXRKQBUSDR-SGTLLEGYSA-N -1 1 386.460 0.705 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001573584260 947215270 /nfs/dbraw/zinc/21/52/70/947215270.db2.gz RYXMVWGZYMDDCI-ZJUUUORDSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001573584260 947215280 /nfs/dbraw/zinc/21/52/80/947215280.db2.gz RYXMVWGZYMDDCI-ZJUUUORDSA-N -1 1 377.359 0.394 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N(CCC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573310102 947217744 /nfs/dbraw/zinc/21/77/44/947217744.db2.gz UASAZPKKYXDDOD-FZKQIMNGSA-N -1 1 386.460 0.801 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N(CCC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573310102 947217756 /nfs/dbraw/zinc/21/77/56/947217756.db2.gz UASAZPKKYXDDOD-FZKQIMNGSA-N -1 1 386.460 0.801 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001573584772 947233061 /nfs/dbraw/zinc/23/30/61/947233061.db2.gz DSPPZPGCPMDEGI-NSHDSACASA-N -1 1 375.396 0.953 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001573584772 947233072 /nfs/dbraw/zinc/23/30/72/947233072.db2.gz DSPPZPGCPMDEGI-NSHDSACASA-N -1 1 375.396 0.953 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573585027 947242682 /nfs/dbraw/zinc/24/26/82/947242682.db2.gz IUWNHPJGGSRIGL-NSHDSACASA-N -1 1 375.396 0.953 20 30 GCEDMM C[C@@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573585027 947242690 /nfs/dbraw/zinc/24/26/90/947242690.db2.gz IUWNHPJGGSRIGL-NSHDSACASA-N -1 1 375.396 0.953 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573586086 947276161 /nfs/dbraw/zinc/27/61/61/947276161.db2.gz ZGFXLYBIVVIABY-GFCCVEGCSA-N -1 1 389.423 0.995 20 30 GCEDMM C=CCCC(=O)NCc1nc(CNc2nccnc2-c2nnn[n-]2)cc(=O)[nH]1 ZINC001573328497 947408417 /nfs/dbraw/zinc/40/84/17/947408417.db2.gz XHFSBORKEJFILI-UHFFFAOYSA-N -1 1 382.388 0.347 20 30 GCEDMM C=CCCC(=O)NCc1nc(CNc2nccnc2-c2nn[n-]n2)cc(=O)[nH]1 ZINC001573328497 947408425 /nfs/dbraw/zinc/40/84/25/947408425.db2.gz XHFSBORKEJFILI-UHFFFAOYSA-N -1 1 382.388 0.347 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)CCCC1 ZINC001573329038 947415977 /nfs/dbraw/zinc/41/59/77/947415977.db2.gz GSGBLRAMFIEUAY-KGLIPLIRSA-N -1 1 384.444 0.459 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)CCCC1 ZINC001573329038 947415982 /nfs/dbraw/zinc/41/59/82/947415982.db2.gz GSGBLRAMFIEUAY-KGLIPLIRSA-N -1 1 384.444 0.459 20 30 GCEDMM C=CC[C@H]1CCCC[C@H]1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573329746 947425069 /nfs/dbraw/zinc/42/50/69/947425069.db2.gz OHXOZSXPRDJXHK-WCQYABFASA-N -1 1 388.432 0.563 20 30 GCEDMM C=CCCCC(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573334591 947460045 /nfs/dbraw/zinc/46/00/45/947460045.db2.gz PERBSNXZKSODAY-CQSZACIVSA-N -1 1 386.460 0.803 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573335601 947482559 /nfs/dbraw/zinc/48/25/59/947482559.db2.gz BAVCOMNMWLHOGT-MELADBBJSA-N -1 1 384.444 0.818 20 30 GCEDMM C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573335601 947482566 /nfs/dbraw/zinc/48/25/66/947482566.db2.gz BAVCOMNMWLHOGT-MELADBBJSA-N -1 1 384.444 0.818 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573335644 947484902 /nfs/dbraw/zinc/48/49/02/947484902.db2.gz CFHNFOLMNDQCLC-GBOPCIDUSA-N -1 1 384.444 0.864 20 30 GCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573335644 947484915 /nfs/dbraw/zinc/48/49/15/947484915.db2.gz CFHNFOLMNDQCLC-GBOPCIDUSA-N -1 1 384.444 0.864 20 30 GCEDMM C=CCCOCC(=O)NCC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573335815 947489066 /nfs/dbraw/zinc/48/90/66/947489066.db2.gz DVFMOCNEPXXVOI-UHFFFAOYSA-N -1 1 386.460 0.890 20 30 GCEDMM C=CCCOCC(=O)NCC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573335815 947489075 /nfs/dbraw/zinc/48/90/75/947489075.db2.gz DVFMOCNEPXXVOI-UHFFFAOYSA-N -1 1 386.460 0.890 20 30 GCEDMM C=CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573342733 947545678 /nfs/dbraw/zinc/54/56/78/947545678.db2.gz BIOAVIMZPUQAIB-KGLIPLIRSA-N -1 1 384.444 0.737 20 30 GCEDMM C=CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573342733 947545687 /nfs/dbraw/zinc/54/56/87/947545687.db2.gz BIOAVIMZPUQAIB-KGLIPLIRSA-N -1 1 384.444 0.737 20 30 GCEDMM C=CCOCC(=O)NC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573343416 947557066 /nfs/dbraw/zinc/55/70/66/947557066.db2.gz PADZWNAZWGMLQU-UHFFFAOYSA-N -1 1 388.432 0.245 20 30 GCEDMM C=CCOCC(=O)NC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573343416 947557072 /nfs/dbraw/zinc/55/70/72/947557072.db2.gz PADZWNAZWGMLQU-UHFFFAOYSA-N -1 1 388.432 0.245 20 30 GCEDMM C=CCOCC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)[C@H](C)C1 ZINC001573344209 947568191 /nfs/dbraw/zinc/56/81/91/947568191.db2.gz ZIESAJJLHCJDSX-OLZOCXBDSA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCOCC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)[C@H](C)C1 ZINC001573344209 947568205 /nfs/dbraw/zinc/56/82/05/947568205.db2.gz ZIESAJJLHCJDSX-OLZOCXBDSA-N -1 1 386.460 0.895 20 30 GCEDMM C=CCOc1cccnc1C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001573347074 947572248 /nfs/dbraw/zinc/57/22/48/947572248.db2.gz ACUQMAIEVGLFIR-UHFFFAOYSA-N -1 1 381.400 0.483 20 30 GCEDMM C=CCOc1cccnc1C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001573347074 947572255 /nfs/dbraw/zinc/57/22/55/947572255.db2.gz ACUQMAIEVGLFIR-UHFFFAOYSA-N -1 1 381.400 0.483 20 30 GCEDMM C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573347703 947576826 /nfs/dbraw/zinc/57/68/26/947576826.db2.gz GVBIITVCKBYTOM-IPYPFGDCSA-N -1 1 384.444 0.865 20 30 GCEDMM C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573347703 947576829 /nfs/dbraw/zinc/57/68/29/947576829.db2.gz GVBIITVCKBYTOM-IPYPFGDCSA-N -1 1 384.444 0.865 20 30 GCEDMM C=CCn1cc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001573349013 947588459 /nfs/dbraw/zinc/58/84/59/947588459.db2.gz YASANLYKDXQJLS-WDEREUQCSA-N -1 1 381.404 0.007 20 30 GCEDMM C=CCn1cc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001573349013 947588468 /nfs/dbraw/zinc/58/84/68/947588468.db2.gz YASANLYKDXQJLS-WDEREUQCSA-N -1 1 381.404 0.007 20 30 GCEDMM C=CCOCCCC(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573348991 947589006 /nfs/dbraw/zinc/58/90/06/947589006.db2.gz XSKLWFGWVMVAKK-KGLIPLIRSA-N -1 1 386.460 0.710 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573350716 947602153 /nfs/dbraw/zinc/60/21/53/947602153.db2.gz JCLJAUQAJGEUEK-MCIONIFRSA-N -1 1 384.444 0.723 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573350716 947602159 /nfs/dbraw/zinc/60/21/59/947602159.db2.gz JCLJAUQAJGEUEK-MCIONIFRSA-N -1 1 384.444 0.723 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001573350753 947603334 /nfs/dbraw/zinc/60/33/34/947603334.db2.gz FWTCAOJAMBZLPT-DGTMBMJNSA-N -1 1 382.428 0.474 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001573350753 947603339 /nfs/dbraw/zinc/60/33/39/947603339.db2.gz FWTCAOJAMBZLPT-DGTMBMJNSA-N -1 1 382.428 0.474 20 30 GCEDMM C=CCn1cc(C(=O)N[C@@H](C)CCCNc2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001573350855 947604046 /nfs/dbraw/zinc/60/40/46/947604046.db2.gz JNUBKOYBZRXRCD-NSHDSACASA-N -1 1 383.420 0.445 20 30 GCEDMM C=CCn1cc(C(=O)N[C@@H](C)CCCNc2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001573350855 947604051 /nfs/dbraw/zinc/60/40/51/947604051.db2.gz JNUBKOYBZRXRCD-NSHDSACASA-N -1 1 383.420 0.445 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573350936 947606519 /nfs/dbraw/zinc/60/65/19/947606519.db2.gz LPHONZJIWNNUBV-VBHSOAQHSA-N -1 1 384.444 0.898 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573350936 947606526 /nfs/dbraw/zinc/60/65/26/947606526.db2.gz LPHONZJIWNNUBV-VBHSOAQHSA-N -1 1 384.444 0.898 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573351332 947612659 /nfs/dbraw/zinc/61/26/59/947612659.db2.gz LFAZFODFEJTUGG-GUTXKFCHSA-N -1 1 384.444 0.641 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573351332 947612669 /nfs/dbraw/zinc/61/26/69/947612669.db2.gz LFAZFODFEJTUGG-GUTXKFCHSA-N -1 1 384.444 0.641 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573351467 947614282 /nfs/dbraw/zinc/61/42/82/947614282.db2.gz ODAISLUSJFUIEN-GUTXKFCHSA-N -1 1 398.471 0.753 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573351467 947614287 /nfs/dbraw/zinc/61/42/87/947614287.db2.gz ODAISLUSJFUIEN-GUTXKFCHSA-N -1 1 398.471 0.753 20 30 GCEDMM C=CCn1cc(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001573351609 947616930 /nfs/dbraw/zinc/61/69/30/947616930.db2.gz UFXJRQOQKZCRMI-UHFFFAOYSA-N -1 1 381.404 0.055 20 30 GCEDMM C=CCn1cc(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001573351609 947616935 /nfs/dbraw/zinc/61/69/35/947616935.db2.gz UFXJRQOQKZCRMI-UHFFFAOYSA-N -1 1 381.404 0.055 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826344822 948013713 /nfs/dbraw/zinc/01/37/13/948013713.db2.gz TVEVYUNCCRYYNI-JTQLQIEISA-N -1 1 394.399 0.105 20 30 GCEDMM Cc1onc(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826344822 948013716 /nfs/dbraw/zinc/01/37/16/948013716.db2.gz TVEVYUNCCRYYNI-JTQLQIEISA-N -1 1 394.399 0.105 20 30 GCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000826383007 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N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571136130 952612854 /nfs/dbraw/zinc/61/28/54/952612854.db2.gz MUSVARBDZRJYPV-GFCCVEGCSA-N -1 1 378.400 0.963 20 30 GCEDMM CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571136181 952612986 /nfs/dbraw/zinc/61/29/86/952612986.db2.gz NXMHAOOVWOOGFQ-LBPRGKRZSA-N -1 1 378.400 0.597 20 30 GCEDMM CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571136181 952612988 /nfs/dbraw/zinc/61/29/88/952612988.db2.gz NXMHAOOVWOOGFQ-LBPRGKRZSA-N -1 1 378.400 0.597 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001571136424 952613983 /nfs/dbraw/zinc/61/39/83/952613983.db2.gz QBVXDEFPSHLRAT-GHMZBOCLSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001571136424 952613989 /nfs/dbraw/zinc/61/39/89/952613989.db2.gz QBVXDEFPSHLRAT-GHMZBOCLSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001571136572 952614784 /nfs/dbraw/zinc/61/47/84/952614784.db2.gz RECXTSPWQMDKJH-NSHDSACASA-N -1 1 378.400 0.503 20 30 GCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001571136572 952614788 /nfs/dbraw/zinc/61/47/88/952614788.db2.gz RECXTSPWQMDKJH-NSHDSACASA-N -1 1 378.400 0.503 20 30 GCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571136590 952615469 /nfs/dbraw/zinc/61/54/69/952615469.db2.gz RYZJCYPDRURLHJ-GFCCVEGCSA-N -1 1 378.400 0.597 20 30 GCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571136590 952615475 /nfs/dbraw/zinc/61/54/75/952615475.db2.gz RYZJCYPDRURLHJ-GFCCVEGCSA-N -1 1 378.400 0.597 20 30 GCEDMM CN(C(=O)c1cc(C#N)c[nH]1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571136812 952616224 /nfs/dbraw/zinc/61/62/24/952616224.db2.gz WWSOHHUSLYUMQQ-UHFFFAOYSA-N -1 1 378.400 0.597 20 30 GCEDMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001571136804 952616253 /nfs/dbraw/zinc/61/62/53/952616253.db2.gz WMBHYBYCPTZLCB-GHMZBOCLSA-N -1 1 378.400 0.359 20 30 GCEDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001571136804 952616255 /nfs/dbraw/zinc/61/62/55/952616255.db2.gz WMBHYBYCPTZLCB-GHMZBOCLSA-N -1 1 378.400 0.359 20 30 GCEDMM N#Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)c[nH]1 ZINC001571136850 952617222 /nfs/dbraw/zinc/61/72/22/952617222.db2.gz XZXSOCPLWHTNTE-GWCFXTLKSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)c[nH]1 ZINC001571136850 952617228 /nfs/dbraw/zinc/61/72/28/952617228.db2.gz XZXSOCPLWHTNTE-GWCFXTLKSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1[n-]c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)nc1-c1nn[nH]n1 ZINC001571228253 953163088 /nfs/dbraw/zinc/16/30/88/953163088.db2.gz LVKCHOIGISDNRS-QWRGUYRKSA-N -1 1 383.416 0.829 20 30 GCEDMM 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HAIURHJOIFSBSB-UHFFFAOYSA-N -1 1 396.451 0.687 20 30 GCEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000804984799 1205530073 /nfs/dbraw/zinc/53/00/73/1205530073.db2.gz NTXDMZXDYZMFSW-UHFFFAOYSA-N -1 1 395.462 0.865 20 30 GCEDMM CSc1nc(C)c(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(=O)[n-]1 ZINC001134052855 1205686638 /nfs/dbraw/zinc/68/66/38/1205686638.db2.gz PZJQBMDRUWSMQC-ZBEGNZNMSA-N -1 1 396.494 0.542 20 30 GCEDMM N=C(c1nonc1N)N([O-])C(=O)CCC(=O)Nc1ccc(Br)cn1 ZINC001176809360 1205754786 /nfs/dbraw/zinc/75/47/86/1205754786.db2.gz HVOPJNWRSOHNEY-UHFFFAOYSA-N -1 1 398.177 0.771 20 30 GCEDMM C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000773790997 1205801344 /nfs/dbraw/zinc/80/13/44/1205801344.db2.gz BHTVOEREPHVFPD-WFASDCNBSA-N -1 1 395.437 0.302 20 30 GCEDMM N=C(c1nonc1N)N([O-])C(=O)Cc1cn2cc(Br)ccc2n1 ZINC001181272047 1205840995 /nfs/dbraw/zinc/84/09/95/1205840995.db2.gz ABYCNJGFLSHYON-UHFFFAOYSA-N -1 1 380.162 0.848 20 30 GCEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NN3CC(=O)[N-]C3=O)C2)C1 ZINC001182302289 1205863557 /nfs/dbraw/zinc/86/35/57/1205863557.db2.gz AKTVINGGVQVJIN-GCULGPDHSA-N -1 1 377.401 0.356 20 30 GCEDMM N#Cc1ccccc1C1(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CC1 ZINC001183294181 1205890508 /nfs/dbraw/zinc/89/05/08/1205890508.db2.gz DNMUCHMVOQQZHW-INIZCTEOSA-N -1 1 395.419 0.631 20 30 GCEDMM N#Cc1cccc(N2C[C@H](C(=O)Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)OC2=O)c1 ZINC001184379373 1205908615 /nfs/dbraw/zinc/90/86/15/1205908615.db2.gz JDLWBJYZTNZSLV-SECBINFHSA-N -1 1 381.308 0.551 20 30 GCEDMM COc1cc(CN2CC[C@H](Nc3[n-]c(=O)n(C)c(=O)c3C#N)C2)cc(OC)c1 ZINC001185707434 1205928737 /nfs/dbraw/zinc/92/87/37/1205928737.db2.gz BDELIFHMGJTTRD-ZDUSSCGKSA-N -1 1 385.424 0.649 20 30 GCEDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCNC(=O)C1N=CC=CC1=O ZINC001186641714 1205944643 /nfs/dbraw/zinc/94/46/43/1205944643.db2.gz CPCFQDHWZRSXDJ-RGPPVUSESA-N -1 1 378.476 0.244 20 30 GCEDMM N#Cc1nccnc1N1CCN(C(=O)c2cnc(-c3ccccn3)[n-]c2=O)CC1 ZINC001190619704 1206039282 /nfs/dbraw/zinc/03/92/82/1206039282.db2.gz ACLYNFWSEGUIBZ-UHFFFAOYSA-N -1 1 388.391 0.868 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001571296046 946181275 /nfs/dbraw/zinc/18/12/75/946181275.db2.gz MLHKTFPEDPTFJE-GJZGRUSLSA-N -1 1 390.411 0.740 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001571296046 946181282 /nfs/dbraw/zinc/18/12/82/946181282.db2.gz MLHKTFPEDPTFJE-GJZGRUSLSA-N -1 1 390.411 0.740 20 30 GCEDMM CN(C[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571312421 946491532 /nfs/dbraw/zinc/49/15/32/946491532.db2.gz COBITBZHQNSLHO-AWEZNQCLSA-N -1 1 392.427 0.988 20 30 GCEDMM N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001571312400 946492152 /nfs/dbraw/zinc/49/21/52/946492152.db2.gz BUMGHISHDUNSRI-DZGCQCFKSA-N -1 1 392.427 0.543 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571312512 946493583 /nfs/dbraw/zinc/49/35/83/946493583.db2.gz GKUJDDYDJLWTHM-AWEZNQCLSA-N -1 1 392.427 0.906 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571312512 946493592 /nfs/dbraw/zinc/49/35/92/946493592.db2.gz GKUJDDYDJLWTHM-AWEZNQCLSA-N -1 1 392.427 0.906 20 30 GCEDMM C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000823861543 946494121 /nfs/dbraw/zinc/49/41/21/946494121.db2.gz MVMYSHQASKPVDV-UHFFFAOYSA-N -1 1 379.380 0.784 20 30 GCEDMM C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000823861543 946494128 /nfs/dbraw/zinc/49/41/28/946494128.db2.gz MVMYSHQASKPVDV-UHFFFAOYSA-N -1 1 379.380 0.784 20 30 GCEDMM C#CCSCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000823861433 946494682 /nfs/dbraw/zinc/49/46/82/946494682.db2.gz IOPVTYRTQAJSAT-UHFFFAOYSA-N -1 1 376.446 0.239 20 30 GCEDMM C#CCSCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000823861433 946494687 /nfs/dbraw/zinc/49/46/87/946494687.db2.gz IOPVTYRTQAJSAT-UHFFFAOYSA-N -1 1 376.446 0.239 20 30 GCEDMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001571313260 946514778 /nfs/dbraw/zinc/51/47/78/946514778.db2.gz PDDBSUHTGOXIQE-CQSZACIVSA-N -1 1 392.427 0.891 20 30 GCEDMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001571313260 946514790 /nfs/dbraw/zinc/51/47/90/946514790.db2.gz PDDBSUHTGOXIQE-CQSZACIVSA-N -1 1 392.427 0.891 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1 ZINC001571313661 946528765 /nfs/dbraw/zinc/52/87/65/946528765.db2.gz VIAGMTKUGFDCPL-VXGBXAGGSA-N -1 1 392.427 0.952 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1 ZINC001571313661 946528769 /nfs/dbraw/zinc/52/87/69/946528769.db2.gz VIAGMTKUGFDCPL-VXGBXAGGSA-N -1 1 392.427 0.952 20 30 GCEDMM C#CCN(C(=O)c1ccco1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573282206 946685810 /nfs/dbraw/zinc/68/58/10/946685810.db2.gz GQNSBJYVMMSSCM-UHFFFAOYSA-N -1 1 378.396 0.994 20 30 GCEDMM C#CCN(C(=O)c1ccco1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573282206 946685818 /nfs/dbraw/zinc/68/58/18/946685818.db2.gz GQNSBJYVMMSSCM-UHFFFAOYSA-N -1 1 378.396 0.994 20 30 GCEDMM C#CCN(C(=O)c1nc(C)c[nH]1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573282239 946688869 /nfs/dbraw/zinc/68/88/69/946688869.db2.gz HBTYWMLRGQVRGD-UHFFFAOYSA-N -1 1 392.427 0.433 20 30 GCEDMM C#CCN(C(=O)c1nc(C)c[nH]1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573282239 946688875 /nfs/dbraw/zinc/68/88/75/946688875.db2.gz HBTYWMLRGQVRGD-UHFFFAOYSA-N -1 1 392.427 0.433 20 30 GCEDMM C#CCCCCC(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573284153 946737280 /nfs/dbraw/zinc/73/72/80/946737280.db2.gz SMGNBGSDYHIWFE-UHFFFAOYSA-N -1 1 384.444 0.298 20 30 GCEDMM C#CCO[C@H](C)C(=O)N(CCC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573285374 946776644 /nfs/dbraw/zinc/77/66/44/946776644.db2.gz GXXWFHOKKJSLPM-KGLIPLIRSA-N -1 1 384.444 0.512 20 30 GCEDMM C#CCO[C@H](C)C(=O)N(CCC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573285374 946776647 /nfs/dbraw/zinc/77/66/47/946776647.db2.gz GXXWFHOKKJSLPM-KGLIPLIRSA-N -1 1 384.444 0.512 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573286381 946805473 /nfs/dbraw/zinc/80/54/73/946805473.db2.gz AEWPXWGIEJIDOI-CHWSQXEVSA-N -1 1 382.428 0.170 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573286381 946805485 /nfs/dbraw/zinc/80/54/85/946805485.db2.gz AEWPXWGIEJIDOI-CHWSQXEVSA-N -1 1 382.428 0.170 20 30 GCEDMM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573543349 946806889 /nfs/dbraw/zinc/80/68/89/946806889.db2.gz XPOPRSUIGGRKAJ-JTQLQIEISA-N -1 1 379.388 0.594 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573286585 946812803 /nfs/dbraw/zinc/81/28/03/946812803.db2.gz FKCYMGCEUBSJGP-MGPQQGTHSA-N -1 1 384.444 0.843 20 30 GCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573286585 946812809 /nfs/dbraw/zinc/81/28/09/946812809.db2.gz FKCYMGCEUBSJGP-MGPQQGTHSA-N -1 1 384.444 0.843 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(CC)c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001573286810 946821375 /nfs/dbraw/zinc/82/13/75/946821375.db2.gz BJVYLCZNUBATPF-GFCCVEGCSA-N -1 1 377.412 0.678 20 30 GCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(CC)c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001573286810 946821382 /nfs/dbraw/zinc/82/13/82/946821382.db2.gz BJVYLCZNUBATPF-GFCCVEGCSA-N -1 1 377.412 0.678 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)nc1 ZINC001573287595 946841755 /nfs/dbraw/zinc/84/17/55/946841755.db2.gz JYWYEVZEEGEGDO-AAEUAGOBSA-N -1 1 375.396 0.748 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)nc1 ZINC001573287595 946841760 /nfs/dbraw/zinc/84/17/60/946841760.db2.gz JYWYEVZEEGEGDO-AAEUAGOBSA-N -1 1 375.396 0.748 20 30 GCEDMM C#CCOCCC(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573288003 946853256 /nfs/dbraw/zinc/85/32/56/946853256.db2.gz QZUUDIYBGMREHR-AWEZNQCLSA-N -1 1 384.444 0.880 20 30 GCEDMM C#CCOCCC(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573288003 946853272 /nfs/dbraw/zinc/85/32/72/946853272.db2.gz QZUUDIYBGMREHR-AWEZNQCLSA-N -1 1 384.444 0.880 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573288104 946858620 /nfs/dbraw/zinc/85/86/20/946858620.db2.gz NKYMABKPLWMWRO-WFASDCNBSA-N -1 1 389.423 0.820 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573288104 946858635 /nfs/dbraw/zinc/85/86/35/946858635.db2.gz NKYMABKPLWMWRO-WFASDCNBSA-N -1 1 389.423 0.820 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573288296 946864685 /nfs/dbraw/zinc/86/46/85/946864685.db2.gz UDTDQCQPABZBKB-ZIAGYGMSSA-N -1 1 384.444 0.593 20 30 GCEDMM C#CCOCCC(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573288296 946864697 /nfs/dbraw/zinc/86/46/97/946864697.db2.gz UDTDQCQPABZBKB-ZIAGYGMSSA-N -1 1 384.444 0.593 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001573288579 946870051 /nfs/dbraw/zinc/87/00/51/946870051.db2.gz RYJHFPDGLJORTE-CYBMUJFWSA-N -1 1 375.396 0.750 20 30 GCEDMM C#Cc1ccc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001573288579 946870062 /nfs/dbraw/zinc/87/00/62/946870062.db2.gz RYJHFPDGLJORTE-CYBMUJFWSA-N -1 1 375.396 0.750 20 30 GCEDMM C#Cc1ccc(C(=O)NC2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001573288547 946871187 /nfs/dbraw/zinc/87/11/87/946871187.db2.gz ROAKZWFVAHONPK-UHFFFAOYSA-N -1 1 389.423 0.740 20 30 GCEDMM C#Cc1ccc(C(=O)NC2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001573288547 946871198 /nfs/dbraw/zinc/87/11/98/946871198.db2.gz ROAKZWFVAHONPK-UHFFFAOYSA-N -1 1 389.423 0.740 20 30 GCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573288617 946874256 /nfs/dbraw/zinc/87/42/56/946874256.db2.gz WKJLLGUCVYIZFE-ZIAGYGMSSA-N -1 1 384.444 0.479 20 30 GCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573288617 946874271 /nfs/dbraw/zinc/87/42/71/946874271.db2.gz WKJLLGUCVYIZFE-ZIAGYGMSSA-N -1 1 384.444 0.479 20 30 GCEDMM C#CCO[C@H](C)C(=O)NC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573288746 946876919 /nfs/dbraw/zinc/87/69/19/946876919.db2.gz YJPSORASQBMJMV-CYBMUJFWSA-N -1 1 384.444 0.844 20 30 GCEDMM C#CCO[C@H](C)C(=O)NC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573288746 946876931 /nfs/dbraw/zinc/87/69/31/946876931.db2.gz YJPSORASQBMJMV-CYBMUJFWSA-N -1 1 384.444 0.844 20 30 GCEDMM C#Cc1ccc(C(=O)NCCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)nc1 ZINC001573289234 946882562 /nfs/dbraw/zinc/88/25/62/946882562.db2.gz XMSKKXYYZAWOML-UHFFFAOYSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1ccc(C(=O)NCCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)nc1 ZINC001573289234 946882571 /nfs/dbraw/zinc/88/25/71/946882571.db2.gz XMSKKXYYZAWOML-UHFFFAOYSA-N -1 1 389.423 0.822 20 30 GCEDMM C#CCn1ccc(CN(CCOC)C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)n1 ZINC001573289894 946895025 /nfs/dbraw/zinc/89/50/25/946895025.db2.gz QQJWPOPZNRKJFK-UHFFFAOYSA-N -1 1 396.411 0.394 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573289908 946896632 /nfs/dbraw/zinc/89/66/32/946896632.db2.gz RDBXNFLAHPBTHE-CQSZACIVSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573289908 946896644 /nfs/dbraw/zinc/89/66/44/946896644.db2.gz RDBXNFLAHPBTHE-CQSZACIVSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573290226 946900419 /nfs/dbraw/zinc/90/04/19/946900419.db2.gz UNNITCJYKDVCHO-RISCZKNCSA-N -1 1 375.396 0.028 20 30 GCEDMM C#CCOc1ccc(C(=O)NCCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573290261 946901205 /nfs/dbraw/zinc/90/12/05/946901205.db2.gz USQOPDVJFNOMSB-UHFFFAOYSA-N -1 1 378.396 0.901 20 30 GCEDMM C#CCOc1ccc(C(=O)NCCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573290261 946901214 /nfs/dbraw/zinc/90/12/14/946901214.db2.gz USQOPDVJFNOMSB-UHFFFAOYSA-N -1 1 378.396 0.901 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)nc1 ZINC001573290607 946908968 /nfs/dbraw/zinc/90/89/68/946908968.db2.gz MQPUZPDRLUBSLB-YPMHNXCESA-N -1 1 375.396 0.430 20 30 GCEDMM C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)nc1 ZINC001573290607 946908978 /nfs/dbraw/zinc/90/89/78/946908978.db2.gz MQPUZPDRLUBSLB-YPMHNXCESA-N -1 1 375.396 0.430 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573291445 946919194 /nfs/dbraw/zinc/91/91/94/946919194.db2.gz CZSKHVNFHJPBJT-AWEZNQCLSA-N -1 1 375.396 0.432 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001573292042 946926732 /nfs/dbraw/zinc/92/67/32/946926732.db2.gz NFCMRPYUQBGBKP-CQSZACIVSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1cncc(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001573292042 946926744 /nfs/dbraw/zinc/92/67/44/946926744.db2.gz NFCMRPYUQBGBKP-CQSZACIVSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)N(CC)c2nccnc2-c2nnn[n-]2)c1 ZINC001573292317 946931619 /nfs/dbraw/zinc/93/16/19/946931619.db2.gz SXHVOLIAQJCXKU-GFCCVEGCSA-N -1 1 377.412 0.678 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)N(CC)c2nccnc2-c2nn[n-]n2)c1 ZINC001573292317 946931624 /nfs/dbraw/zinc/93/16/24/946931624.db2.gz SXHVOLIAQJCXKU-GFCCVEGCSA-N -1 1 377.412 0.678 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001573292357 946932882 /nfs/dbraw/zinc/93/28/82/946932882.db2.gz UKEDOAFACQEJSA-OAHLLOKOSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001573292357 946932885 /nfs/dbraw/zinc/93/28/85/946932885.db2.gz UKEDOAFACQEJSA-OAHLLOKOSA-N -1 1 389.423 0.822 20 30 GCEDMM C#Cc1cncc(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573292347 946933530 /nfs/dbraw/zinc/93/35/30/946933530.db2.gz UJIKQOPUDLBPDP-ZFWWWQNUSA-N -1 1 389.423 0.466 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)N(C)c2cc(-c3nnn[n-]3)nc(CC)n2)c1 ZINC001573292513 946935238 /nfs/dbraw/zinc/93/52/38/946935238.db2.gz WZZQWSIRUWKJPG-GFCCVEGCSA-N -1 1 391.439 0.850 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)N(C)c2cc(-c3nn[n-]n3)nc(CC)n2)c1 ZINC001573292513 946935252 /nfs/dbraw/zinc/93/52/52/946935252.db2.gz WZZQWSIRUWKJPG-GFCCVEGCSA-N -1 1 391.439 0.850 20 30 GCEDMM C#Cc1cncc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573292527 946935391 /nfs/dbraw/zinc/93/53/91/946935391.db2.gz XFKYWDKASGMIHC-UHFFFAOYSA-N -1 1 375.396 0.075 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001573292529 946935464 /nfs/dbraw/zinc/93/54/64/946935464.db2.gz XGJOTLPSFNNBKM-UHFFFAOYSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1cncc(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001573292529 946935467 /nfs/dbraw/zinc/93/54/67/946935467.db2.gz XGJOTLPSFNNBKM-UHFFFAOYSA-N -1 1 389.423 0.997 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H](C)N(C)c2cc(-c3nnn[n-]3)nc(CC)n2)c1 ZINC001573292515 946936719 /nfs/dbraw/zinc/93/67/19/946936719.db2.gz WZZQWSIRUWKJPG-LBPRGKRZSA-N -1 1 391.439 0.850 20 30 GCEDMM C#Cc1cncc(C(=O)NC[C@H](C)N(C)c2cc(-c3nn[n-]n3)nc(CC)n2)c1 ZINC001573292515 946936725 /nfs/dbraw/zinc/93/67/25/946936725.db2.gz WZZQWSIRUWKJPG-LBPRGKRZSA-N -1 1 391.439 0.850 20 30 GCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573293325 946953021 /nfs/dbraw/zinc/95/30/21/946953021.db2.gz SMUHCFFVJRZVAT-CYBMUJFWSA-N -1 1 388.476 0.823 20 30 GCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573293325 946953023 /nfs/dbraw/zinc/95/30/23/946953023.db2.gz SMUHCFFVJRZVAT-CYBMUJFWSA-N -1 1 388.476 0.823 20 30 GCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573293326 946954088 /nfs/dbraw/zinc/95/40/88/946954088.db2.gz SMUHCFFVJRZVAT-ZDUSSCGKSA-N -1 1 388.476 0.823 20 30 GCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573293326 946954096 /nfs/dbraw/zinc/95/40/96/946954096.db2.gz SMUHCFFVJRZVAT-ZDUSSCGKSA-N -1 1 388.476 0.823 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573294721 946997535 /nfs/dbraw/zinc/99/75/35/946997535.db2.gz JRLDYSJIMDGBDF-QCQGSNGOSA-N -1 1 384.444 0.945 20 30 GCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573294721 946997539 /nfs/dbraw/zinc/99/75/39/946997539.db2.gz JRLDYSJIMDGBDF-QCQGSNGOSA-N -1 1 384.444 0.945 20 30 GCEDMM C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573570792 947093900 /nfs/dbraw/zinc/09/39/00/947093900.db2.gz UFOQYQRJUYZRQU-SFYZADRCSA-N -1 1 382.837 0.776 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573570793 947094430 /nfs/dbraw/zinc/09/44/30/947094430.db2.gz UFOQYQRJUYZRQU-YUMQZZPRSA-N -1 1 382.837 0.776 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001573571160 947101643 /nfs/dbraw/zinc/10/16/43/947101643.db2.gz ZWIWNBJFDHUELC-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001573571160 947101651 /nfs/dbraw/zinc/10/16/51/947101651.db2.gz ZWIWNBJFDHUELC-LBPRGKRZSA-N -1 1 383.416 0.014 20 30 GCEDMM C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001573300050 947104099 /nfs/dbraw/zinc/10/40/99/947104099.db2.gz IGIKFMQPDSIYLB-SFHVURJKSA-N -1 1 384.444 0.677 20 30 GCEDMM C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001573300050 947104107 /nfs/dbraw/zinc/10/41/07/947104107.db2.gz IGIKFMQPDSIYLB-SFHVURJKSA-N -1 1 384.444 0.677 20 30 GCEDMM C=CC(C)(C)C(=O)NC[C@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)CCO1 ZINC001573304646 947140989 /nfs/dbraw/zinc/14/09/89/947140989.db2.gz DRAFOYFOGAUHHC-LBPRGKRZSA-N -1 1 386.460 0.753 20 30 GCEDMM C=CC(C)(C)C(=O)NC[C@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)CCO1 ZINC001573304646 947140996 /nfs/dbraw/zinc/14/09/96/947140996.db2.gz DRAFOYFOGAUHHC-LBPRGKRZSA-N -1 1 386.460 0.753 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573577114 947161973 /nfs/dbraw/zinc/16/19/73/947161973.db2.gz MIHHWPSFIMTSFU-CPFSXVBKSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573577114 947161978 /nfs/dbraw/zinc/16/19/78/947161978.db2.gz MIHHWPSFIMTSFU-CPFSXVBKSA-N -1 1 382.837 0.194 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573577400 947165534 /nfs/dbraw/zinc/16/55/34/947165534.db2.gz OYVCLSWZWXUUHN-BGZDPUMWSA-N -1 1 378.849 0.935 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573577400 947165548 /nfs/dbraw/zinc/16/55/48/947165548.db2.gz OYVCLSWZWXUUHN-BGZDPUMWSA-N -1 1 378.849 0.935 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCO1 ZINC001573581992 947186316 /nfs/dbraw/zinc/18/63/16/947186316.db2.gz BJOPYVDMZGVVHO-JGVFFNPUSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001573581992 947186319 /nfs/dbraw/zinc/18/63/19/947186319.db2.gz BJOPYVDMZGVVHO-JGVFFNPUSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001573582560 947193409 /nfs/dbraw/zinc/19/34/09/947193409.db2.gz FHVGNPGWKUZOHI-YUMQZZPRSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001573582560 947193416 /nfs/dbraw/zinc/19/34/16/947193416.db2.gz FHVGNPGWKUZOHI-YUMQZZPRSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCO1 ZINC001573583029 947198660 /nfs/dbraw/zinc/19/86/60/947198660.db2.gz IJQTXCPYGQNWNG-HTQZYQBOSA-N -1 1 382.837 0.458 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573309683 947207593 /nfs/dbraw/zinc/20/75/93/947207593.db2.gz MUXCFVRFFJPZMU-FHSNZYRGSA-N -1 1 384.444 0.269 20 30 GCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573309683 947207603 /nfs/dbraw/zinc/20/76/03/947207603.db2.gz MUXCFVRFFJPZMU-FHSNZYRGSA-N -1 1 384.444 0.269 20 30 GCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573309739 947208381 /nfs/dbraw/zinc/20/83/81/947208381.db2.gz NVLQVXAMQQLJHE-ZWKOTPCHSA-N -1 1 384.444 0.413 20 30 GCEDMM C[C@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573583688 947208711 /nfs/dbraw/zinc/20/87/11/947208711.db2.gz NYCVWDVRMTZSOW-HIFRSBDPSA-N -1 1 391.439 0.768 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCC1(F)F ZINC001573584374 947218549 /nfs/dbraw/zinc/21/85/49/947218549.db2.gz VAQCARRDMPZTRT-ZJUUUORDSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCC1(F)F ZINC001573584374 947218561 /nfs/dbraw/zinc/21/85/61/947218561.db2.gz VAQCARRDMPZTRT-ZJUUUORDSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCC1(F)F ZINC001573584371 947219948 /nfs/dbraw/zinc/21/99/48/947219948.db2.gz VAQCARRDMPZTRT-NXEZZACHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCC1(F)F ZINC001573584371 947219953 /nfs/dbraw/zinc/21/99/53/947219953.db2.gz VAQCARRDMPZTRT-NXEZZACHSA-N -1 1 377.359 0.394 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001573584497 947223252 /nfs/dbraw/zinc/22/32/52/947223252.db2.gz WYMJWGGTWPPTTK-SFYZADRCSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NC[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001573584497 947223257 /nfs/dbraw/zinc/22/32/57/947223257.db2.gz WYMJWGGTWPPTTK-SFYZADRCSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573584548 947226804 /nfs/dbraw/zinc/22/68/04/947226804.db2.gz XXNVPGZWAWMGDB-YUMQZZPRSA-N -1 1 382.837 0.458 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001573584771 947231756 /nfs/dbraw/zinc/23/17/56/947231756.db2.gz DSPPZPGCPMDEGI-LLVKDONJSA-N -1 1 375.396 0.953 20 30 GCEDMM C[C@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001573584771 947231767 /nfs/dbraw/zinc/23/17/67/947231767.db2.gz DSPPZPGCPMDEGI-LLVKDONJSA-N -1 1 375.396 0.953 20 30 GCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1c1ccccc1 ZINC001573585710 947265971 /nfs/dbraw/zinc/26/59/71/947265971.db2.gz VIQLCICEQUUYBK-AEGPPILISA-N -1 1 389.423 0.905 20 30 GCEDMM C=CCC1(C(=O)NCCN(CC)c2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573326078 947364584 /nfs/dbraw/zinc/36/45/84/947364584.db2.gz KBNZGVAVLUBVGI-UHFFFAOYSA-N -1 1 386.460 0.972 20 30 GCEDMM C=CCC1(C(=O)NCCN(CC)c2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573326078 947364593 /nfs/dbraw/zinc/36/45/93/947364593.db2.gz KBNZGVAVLUBVGI-UHFFFAOYSA-N -1 1 386.460 0.972 20 30 GCEDMM C=CCCC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001573328002 947401621 /nfs/dbraw/zinc/40/16/21/947401621.db2.gz PMBWMTMKPJKHQV-RKDXNWHRSA-N -1 1 383.865 0.999 20 30 GCEDMM C=CCCC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001573327998 947401935 /nfs/dbraw/zinc/40/19/35/947401935.db2.gz PMBWMTMKPJKHQV-BDAKNGLRSA-N -1 1 383.865 0.999 20 30 GCEDMM C=CCCC(C)(C)CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573328220 947404301 /nfs/dbraw/zinc/40/43/01/947404301.db2.gz SHTYTJTYDRROJW-UHFFFAOYSA-N -1 1 376.421 0.421 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]2O)CCC1 ZINC001573329420 947421730 /nfs/dbraw/zinc/42/17/30/947421730.db2.gz JUDMVJYAGHDPHR-KGLIPLIRSA-N -1 1 384.444 0.377 20 30 GCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]2O)CCC1 ZINC001573329420 947421739 /nfs/dbraw/zinc/42/17/39/947421739.db2.gz JUDMVJYAGHDPHR-KGLIPLIRSA-N -1 1 384.444 0.377 20 30 GCEDMM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573329745 947424618 /nfs/dbraw/zinc/42/46/18/947424618.db2.gz OHXOZSXPRDJXHK-DGCLKSJQSA-N -1 1 388.432 0.563 20 30 GCEDMM C=CCCn1cc(C(=O)NCC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)nn1 ZINC001573340841 947520894 /nfs/dbraw/zinc/52/08/94/947520894.db2.gz BODMODMLCYBWLO-LLVKDONJSA-N -1 1 383.420 0.445 20 30 GCEDMM C=CCCn1cc(C(=O)NCC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)nn1 ZINC001573340841 947520904 /nfs/dbraw/zinc/52/09/04/947520904.db2.gz BODMODMLCYBWLO-LLVKDONJSA-N -1 1 383.420 0.445 20 30 GCEDMM C=CCCn1cc(C(=O)N[C@@H](C)CN(C)c2nccnc2-c2nnn[n-]2)nn1 ZINC001573341585 947534245 /nfs/dbraw/zinc/53/42/45/947534245.db2.gz OCNRRGWLXARPNG-NSHDSACASA-N -1 1 383.420 0.079 20 30 GCEDMM C=CCCn1cc(C(=O)N[C@@H](C)CN(C)c2nccnc2-c2nn[n-]n2)nn1 ZINC001573341585 947534250 /nfs/dbraw/zinc/53/42/50/947534250.db2.gz OCNRRGWLXARPNG-NSHDSACASA-N -1 1 383.420 0.079 20 30 GCEDMM C=CCOCCCC(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573348329 947585133 /nfs/dbraw/zinc/58/51/33/947585133.db2.gz PQMIJTUKPROEAI-AWEZNQCLSA-N -1 1 386.460 0.972 20 30 GCEDMM C=CCOCCCC(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573348329 947585145 /nfs/dbraw/zinc/58/51/45/947585145.db2.gz PQMIJTUKPROEAI-AWEZNQCLSA-N -1 1 386.460 0.972 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573350947 947605665 /nfs/dbraw/zinc/60/56/65/947605665.db2.gz LUZCOVOGQHDNOH-MCIONIFRSA-N -1 1 384.444 0.675 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573350959 947606348 /nfs/dbraw/zinc/60/63/48/947606348.db2.gz MFGYHISJSCPKOK-KGLIPLIRSA-N -1 1 386.460 0.921 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573350959 947606355 /nfs/dbraw/zinc/60/63/55/947606355.db2.gz MFGYHISJSCPKOK-KGLIPLIRSA-N -1 1 386.460 0.921 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573350896 947606464 /nfs/dbraw/zinc/60/64/64/947606464.db2.gz KUVULPBZYJUCJZ-FRIZHTMISA-N -1 1 396.455 0.677 20 30 GCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573350896 947606475 /nfs/dbraw/zinc/60/64/75/947606475.db2.gz KUVULPBZYJUCJZ-FRIZHTMISA-N -1 1 396.455 0.677 20 30 GCEDMM CC#CCCCC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573358772 947670626 /nfs/dbraw/zinc/67/06/26/947670626.db2.gz QHHCYPTZZNCBNM-AWEZNQCLSA-N -1 1 384.444 0.798 20 30 GCEDMM CC#CCCCC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573358772 947670629 /nfs/dbraw/zinc/67/06/29/947670629.db2.gz QHHCYPTZZNCBNM-AWEZNQCLSA-N -1 1 384.444 0.798 20 30 GCEDMM C[C@@H](C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573643101 947864052 /nfs/dbraw/zinc/86/40/52/947864052.db2.gz UEMMXSMKDGCUQX-FZMZJTMJSA-N -1 1 379.384 0.491 20 30 GCEDMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001575510961 949123435 /nfs/dbraw/zinc/12/34/35/949123435.db2.gz INXGRWUKPQSZJY-SECBINFHSA-N -1 1 385.413 0.373 20 30 GCEDMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001575853333 949213610 /nfs/dbraw/zinc/21/36/10/949213610.db2.gz PNTDSOGOIDQXEA-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001575853333 949213632 /nfs/dbraw/zinc/21/36/32/949213632.db2.gz PNTDSOGOIDQXEA-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM CC(C)(C)C#CC(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573792875 949272380 /nfs/dbraw/zinc/27/23/80/949272380.db2.gz HETOPRMLCCMDHY-CYBMUJFWSA-N -1 1 384.444 0.736 20 30 GCEDMM CC(C)(C)C#CC(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573792875 949272408 /nfs/dbraw/zinc/27/24/08/949272408.db2.gz HETOPRMLCCMDHY-CYBMUJFWSA-N -1 1 384.444 0.736 20 30 GCEDMM CC(C)(C)C#CC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573793080 949283701 /nfs/dbraw/zinc/28/37/01/949283701.db2.gz KJGKRDWHNKFKIW-GOSISDBHSA-N -1 1 384.444 0.472 20 30 GCEDMM CC(C)(C)C#CC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573793080 949283721 /nfs/dbraw/zinc/28/37/21/949283721.db2.gz KJGKRDWHNKFKIW-GOSISDBHSA-N -1 1 384.444 0.472 20 30 GCEDMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(C#N)cc1 ZINC001575275819 949699036 /nfs/dbraw/zinc/69/90/36/949699036.db2.gz DUBBQONKMRPXGR-JTQLQIEISA-N -1 1 380.368 0.268 20 30 GCEDMM C[C@@H](NC(=O)CSCC#N)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575283317 949867413 /nfs/dbraw/zinc/86/74/13/949867413.db2.gz OGSQLIJPOCZEGM-NEPJUHHUSA-N -1 1 387.473 0.635 20 30 GCEDMM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575886586 949887580 /nfs/dbraw/zinc/88/75/80/949887580.db2.gz MYPYRQYKSCLMMF-JQWIXIFHSA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575889610 949931984 /nfs/dbraw/zinc/93/19/84/949931984.db2.gz SXALHPCHVKXAEN-GXFFZTMASA-N -1 1 378.400 0.644 20 30 GCEDMM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575889610 949932003 /nfs/dbraw/zinc/93/20/03/949932003.db2.gz SXALHPCHVKXAEN-GXFFZTMASA-N -1 1 378.400 0.644 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)[C@H](O)C1 ZINC001573853532 950328381 /nfs/dbraw/zinc/32/83/81/950328381.db2.gz RCLQGOXIDGTVOA-MWLCHTKSSA-N -1 1 387.404 0.311 20 30 GCEDMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)[C@H](O)C1 ZINC001573853532 950328395 /nfs/dbraw/zinc/32/83/95/950328395.db2.gz RCLQGOXIDGTVOA-MWLCHTKSSA-N -1 1 387.404 0.311 20 30 GCEDMM CC(C)(C)OC(=O)N1CCO[C@H](CNc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573857040 950398910 /nfs/dbraw/zinc/39/89/10/950398910.db2.gz LIUIIUOZQCJMMN-SNVBAGLBSA-N -1 1 387.404 0.576 20 30 GCEDMM CC(C)(C)OC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCO1 ZINC001573861257 950442322 /nfs/dbraw/zinc/44/23/22/950442322.db2.gz VRCRDEXSABLMRZ-JTQLQIEISA-N -1 1 387.404 0.258 20 30 GCEDMM CC(C)(C)OC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCO1 ZINC001573861257 950442335 /nfs/dbraw/zinc/44/23/35/950442335.db2.gz VRCRDEXSABLMRZ-JTQLQIEISA-N -1 1 387.404 0.258 20 30 GCEDMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575153970 952214933 /nfs/dbraw/zinc/21/49/33/952214933.db2.gz MXSRQPDEBLQIKL-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575153970 952214936 /nfs/dbraw/zinc/21/49/36/952214936.db2.gz MXSRQPDEBLQIKL-KRWDZBQOSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)[nH]1 ZINC001571135791 952608992 /nfs/dbraw/zinc/60/89/92/952608992.db2.gz DQSPVZAHPTTYRQ-GFCCVEGCSA-N -1 1 378.400 0.963 20 30 GCEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)[nH]1 ZINC001571135791 952608994 /nfs/dbraw/zinc/60/89/94/952608994.db2.gz DQSPVZAHPTTYRQ-GFCCVEGCSA-N -1 1 378.400 0.963 20 30 GCEDMM CCc1nc(N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571135820 952609016 /nfs/dbraw/zinc/60/90/16/952609016.db2.gz FHTKHUXCRJYFOK-LLVKDONJSA-N -1 1 378.400 0.745 20 30 GCEDMM CCc1nc(N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571135820 952609017 /nfs/dbraw/zinc/60/90/17/952609017.db2.gz FHTKHUXCRJYFOK-LLVKDONJSA-N -1 1 378.400 0.745 20 30 GCEDMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001571135780 952609098 /nfs/dbraw/zinc/60/90/98/952609098.db2.gz DGBYWHXWNIUGOM-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001571135780 952609101 /nfs/dbraw/zinc/60/91/01/952609101.db2.gz DGBYWHXWNIUGOM-UHFFFAOYSA-N -1 1 378.400 0.963 20 30 GCEDMM C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571135800 952609149 /nfs/dbraw/zinc/60/91/49/952609149.db2.gz DXWIOAUZUVUICO-PWSUYJOCSA-N -1 1 378.400 0.644 20 30 GCEDMM CN(C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571135917 952609792 /nfs/dbraw/zinc/60/97/92/952609792.db2.gz HXZCTGSREGILHU-LLVKDONJSA-N -1 1 378.400 0.455 20 30 GCEDMM CN(C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571135917 952609799 /nfs/dbraw/zinc/60/97/99/952609799.db2.gz HXZCTGSREGILHU-LLVKDONJSA-N -1 1 378.400 0.455 20 30 GCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571135870 952609808 /nfs/dbraw/zinc/60/98/08/952609808.db2.gz GRMNVDGDCTVHSI-UHFFFAOYSA-N -1 1 378.400 0.785 20 30 GCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571135870 952609815 /nfs/dbraw/zinc/60/98/15/952609815.db2.gz GRMNVDGDCTVHSI-UHFFFAOYSA-N -1 1 378.400 0.785 20 30 GCEDMM CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571135916 952610228 /nfs/dbraw/zinc/61/02/28/952610228.db2.gz HXIOIKNCUPSRKO-LBPRGKRZSA-N -1 1 378.400 0.597 20 30 GCEDMM CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571135916 952610231 /nfs/dbraw/zinc/61/02/31/952610231.db2.gz HXIOIKNCUPSRKO-LBPRGKRZSA-N -1 1 378.400 0.597 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571136041 952612187 /nfs/dbraw/zinc/61/21/87/952612187.db2.gz LDEFMLAXTBXELJ-NWDGAFQWSA-N -1 1 378.400 0.867 20 30 GCEDMM N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571136041 952612189 /nfs/dbraw/zinc/61/21/89/952612189.db2.gz LDEFMLAXTBXELJ-NWDGAFQWSA-N -1 1 378.400 0.867 20 30 GCEDMM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571136439 952613810 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606823546 /nfs/dbraw/zinc/82/35/46/606823546.db2.gz WTXQOMHQQFISGS-JTQLQIEISA-N -1 1 381.425 0.941 20 30 GCEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1sccc1C#N ZINC000820788283 606830024 /nfs/dbraw/zinc/83/00/24/606830024.db2.gz CBSJMKZAGJTQMW-JTQLQIEISA-N -1 1 381.425 0.941 20 30 GCEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1sccc1C#N ZINC000820788283 606830025 /nfs/dbraw/zinc/83/00/25/606830025.db2.gz CBSJMKZAGJTQMW-JTQLQIEISA-N -1 1 381.425 0.941 20 30 GCEDMM N#C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000822801662 607216386 /nfs/dbraw/zinc/21/63/86/607216386.db2.gz LSBXYEALVKMGHF-SNVBAGLBSA-N -1 1 377.290 0.858 20 30 GCEDMM C#CCNC(=S)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823850959 607966207 /nfs/dbraw/zinc/96/62/07/607966207.db2.gz WMVZEPVXNWJKIG-UHFFFAOYSA-N -1 1 384.425 0.744 20 30 GCEDMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)n1 ZINC000824779119 608144679 /nfs/dbraw/zinc/14/46/79/608144679.db2.gz SQQITFQULYXPRN-QGZVFWFLSA-N -1 1 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