0 B23R3.19311017 CC(C)CC(=O)Nc1ccc2oc(nc2c1)c3cccs3 e419b4a35e2f89f7c43c935818571bf2 [0,0,0,0,0,0|4,0,0]=4 1 B23R3.19311017 CC(C)CC(C)Oc1ccc2[nH]c(nc2c1)c3cscn3 b29230683c984611e2cdc90786c3abc5 [0,0,0,0,0,0|3,0,1]=4 2 B22R3.1394725 CCOC(=O)Cc1ccc2nc(sc2c1)c3cscn3 627ac584462c049cf3a7c22d761075f8 [1,0,0,0,0,0|2,0,1]=4 3 B22R3.16179200 CC(C)CCOc1ccc2[nH]c(nc2c1)c3cscn3 f0371fe0417e6acec73a5ca46725090e [1,0,0,0,0,0|2,0,1]=4 4 B22R3.16179200 CC(C)OCNc1ccc2nc([nH]c2c1)c3cscn3 8ac3d34157e893645b7a8d8e9f7d8e65 [1,0,0,0,0,0|0,0,3]=4 5 B22R3.16179200 CC(C)OCOc1ccc2[nH]c(nc2c1)c3cscn3 3ee4cc2931b474f9d1adbc505d695522 [1,0,0,0,0,0|1,0,1]=3 6 B24R3.28662752 CC(C)N(C)C(=O)Nc1ccc2nc([nH]c2c1)c3cscn3 5c666fd2c61dbecd09b420483e890f2b [0,1,0,0,0,0|1,0,2]=4 7 B24R3.31863017 CC(CO)NC(=O)Nc1ccc2nc([nH]c2c1)c3cscn3 842b7f26ecda66d9ed96fc733b016ed6 [0,1,0,0,0,0|1,0,2]=4 8 B24R3.31863017 CCC(C)NC(=O)Nc1ccc2nc([nH]c2c1)c3cscn3 d5df90733819fb55facdccb0f968deab [0,1,0,0,0,0|1,0,2]=4 9 B24R3.31863017 CC[C@@H](C)NC(=O)Nc1ccc2nc([nH]c2c1)c3cscn3 b6c571504f0391afc0481393ec751910 [0,1,0,0,0,0|1,0,2]=4 10 B24R3.31863017 CC[C@H](C)NC(=O)Nc1ccc2nc([nH]c2c1)c3cscn3 ddc81cf4b3b3840125d7ef9170cb3174 [0,1,0,0,0,0|1,0,2]=4 11 B24R3.31863017 C[C@@H](CO)NC(=O)Nc1ccc2nc([nH]c2c1)c3cscn3 dd7a840fd25e8450afaed1bb2b40e2f2 [0,1,0,0,0,0|1,0,2]=4 12 B24R3.31863017 C[C@H](CO)NC(=O)Nc1ccc2nc([nH]c2c1)c3cscn3 d6cb80ff0be8add558f974a7d1bbc326 [0,1,0,0,0,0|1,0,2]=4 13 B24R3.249046779 CC(C)(C)NC(=O)Nc1ccc2nc([nH]c2c1)c3cscn3 6aa5b6b03de11b8b9c49564e5c0dfda0 [0,1,0,0,0,0|1,0,2]=4 14 B22R2.357700 CC(C)CC(=O)Nc1ccc(cc1)NC(=O)c2cocn2 2a4f40fdfdd12b9057bc4f376203a56d [0,0,1,0,0,0|2,1,0]=4 15 B22R2.357700 CC(C)NC(=O)Nc1ccc(cc1)NC(=O)c2ccsc2 5f1667fab87a5ff055b5fbab6d6e2054 [0,0,1,0,0,0|3,0,0]=4 16 B22R2.357700 CC(C)NC(=O)Nc1ccc(cc1)NC(=O)c2cocn2 159c79a1204c5a1336e1c62345d93995 [0,0,1,0,0,0|2,1,0]=4 17 B22R2.357700 CC(C)NC(=O)Nc1ccc(cc1)NC(=O)c2cscn2 520dd277d92ceb02f306adb0a58c9370 [0,0,1,0,0,0|2,0,0]=3 18 B22R2.357700 CC(C)NC(=O)Nc1ccc(cc1)NC(=O)c2csnn2 9ff57b8ff6057f00accb66d6953045e8 [0,0,1,0,0,0|3,0,0]=4 19 B24R4.340924464 O=C(Nc1ccc2nc([nH]c2c1)c3cscn3)NC4CC4 d0c2b17e1c63059ad944943ed9da6b95 [0,0,0,1,0,0|1,0,2]=4 20 B22R3.3020060 CC(C)C(C)Oc1ccc2[nH]c(nc2c1)c3cscn3 dec470123485b656c8c30aec5ec847fe [0,0,0,0,1,0|2,0,1]=4 21 B24R3.28644950 CC(C)CNC(=O)Nc1ccc2nc([nH]c2c1)c3cscn3 0fab79fd694b06311291a2114b37afb0 [0,0,0,0,0,1|1,0,2]=4 22 B24R3.28644950 CC(C)OCC(=O)Nc1ccc2oc(nc2c1)c3cccs3 3b0e2df89d31eacc50ce3d3eadda02cf [0,0,0,0,0,1|3,0,0]=4 23 B24R3.28747443 CC(C)CC(=O)Nc1ccc2oc(nc2c1)c3ccccn3 4eb58a04c9f5420bfc6ebe8ee03db8db [0,0,0,0,0,1|3,0,0]=4 24 B24R3.28747443 CC(C)CC(=O)Nc1ccc2oc(nc2c1)c3cccnc3 a592faf51f9d4e10413dd0ef1cdfb4bf [0,0,0,0,0,1|3,0,0]=4 25 B24R3.40415090 CC(C)CC(=O)CNc1ccc2nc([nH]c2c1)c3cscn3 9a69b55046193c95b0f58feb3ad65567 [0,0,0,0,0,1|1,0,2]=4 26 B24R3.40415090 CC(C)CC(=O)COc1ccc2[nH]c(nc2c1)c3cscn3 14e79c25b611d9eb8864614035fe316c [0,0,0,0,0,1|2,0,0]=3 27 B24R3.40415090 CC(C)NC(=O)CNc1ccc2nc([nH]c2c1)c3cscn3 20a0bcc399bdc978252956d14b10b98b [0,0,0,0,0,1|1,0,2]=4 28 B24R3.40415090 CC(C)NC(=O)COc1ccc2[nH]c(nc2c1)c3cscn3 c2bc421d35cff1762e33a5694db52612 [0,0,0,0,0,1|2,0,0]=3 29 B24R3.40415090 CC(C)OC(=O)CNc1ccc2nc([nH]c2c1)c3cscn3 5bbd029c0e44f34f480df1f109d04e97 [0,0,0,0,0,1|0,0,2]=3 30 B24R3.40415090 CC(C)OC(=O)CNc1ccc2oc(nc2c1)c3cccs3 0d064dd079ed6e78352ae5069b5725bb [0,0,0,0,0,1|3,0,0]=4 31 B24R3.40415090 CC(C)OC(=O)COc1ccc2[nH]c(nc2c1)c3cscn3 b83a01498ca7a90330262837f7ad0428 [0,0,0,0,0,1|1,0,0]=2 32 B21R2.25924 CCNC(=O)Nc1ccc(cc1)NC(=O)c2cscn2 49073c95ff7780584f2a87de0d95e7ea [1,0,1,0,0,0|2,0,0]=4 33 B21R2.255899 CC(C)CC(=O)Nc1ccc(cc1)NCc2cscn2 1dd699d10332a374d33ad6a5a3308bc0 [1,0,1,0,0,0|1,0,1]=4 34 B21R2.255899 CC(C)NC(=O)Nc1ccc(cc1)NCc2cscn2 530f9808681b43c9efd736083243257d [1,0,1,0,0,0|1,0,1]=4 35 B21R3.877004 CCOCOc1ccc2[nH]c(nc2c1)c3cscn3 07081267e5c919494b0d8ef745894c83 [2,0,0,0,0,0|1,0,1]=4 36 B23R2.4870468 CC(C)CC(=O)Nc1ccc(cc1)NC(=O)c2csc(n2)I f6366210edbf3da6b9731c1db3680f3a [0,1,1,0,0,0|2,0,0]=4 37 B23R2.4870468 CC(C)NC(=O)Nc1ccc(cc1)NC(=O)c2csc(n2)Br 2b4ad2e38c1bfa0e8ae1a95dba13a604 [0,1,1,0,0,0|2,0,0]=4 38 B23R2.4870468 CC(C)NC(=O)Nc1ccc(cc1)NC(=O)c2csc(n2)Cl d3ae7d90edb8819b157903a764a9cc85 [0,1,1,0,0,0|2,0,0]=4 39 B23R2.4870468 CC(C)NC(=O)Nc1ccc(cc1)NC(=O)c2csc(n2)I 2ea0e997b3556d6d93d0a5153c34a3d9 [0,1,1,0,0,0|2,0,0]=4 40 B23R2.4870468 Cc1nc(cs1)C(=O)Nc2ccc(cc2)NC(=O)NC(C)C c2523255789a03cab20c7b6297dde612 [0,1,1,0,0,0|2,0,0]=4 41 B23R2.5216383 Cc1scnc1C(=O)Nc2ccc(cc2)NC(=O)NC(C)C 8fc2f8e3773e53d9ab95cb2593fa2edd [0,1,1,0,0,0|2,0,0]=4 42 B23R3.20739828 CC(C)C(C=O)Oc1ccc2[nH]c(nc2c1)c3cscn3 e23b4274a3a9bf18e6a80bcdb6545d88 [0,1,0,0,1,0|1,0,1]=4 43 B25R3.36585346 CCC(C)NC(=O)COc1ccc2[nH]c(nc2c1)c3cscn3 aee9609741eaf2b06d2e86b58d56282f [0,1,0,0,0,1|2,0,0]=4 44 B25R3.125255641 CC(C)N(C)C(=O)COc1ccc2[nH]c(nc2c1)c3cscn3 2eaae3945add515ea3f5f3830f028fbb [0,1,0,0,0,1|2,0,0]=4 45 B25R3.728883968 CC(C)(C)NC(=O)COc1ccc2[nH]c(nc2c1)c3cscn3 4458f8601f5b5e7508a8deef91d9ec99 [0,1,0,0,0,1|2,0,0]=4 46 B25R3.728883968 CC(C)(C)OC(=O)CNc1ccc2nc([nH]c2c1)c3cscn3 d4392ce80959c1a6a245bc38f67c8146 [0,1,0,0,0,1|0,0,2]=4 47 B25R3.728883968 CC(C)(C)OC(=O)COc1ccc2[nH]c(nc2c1)c3cscn3 a5cafab4ae5f72dd51c6526d89d3d2c9 [0,1,0,0,0,1|1,0,0]=3 48 B25R4.191004882 CC1CC(C(=O)O1)Nc2ccc3nc([nH]c3c2)c4cscn4 86310c456852695a29d4e458e83f7b44 [0,0,0,1,0,1|0,0,2]=4 49 B25R4.191004882 CC1CC(C(=O)O1)Oc2ccc3[nH]c(nc3c2)c4cscn4 93327674b4d399eb710cc3f1f2f3b2a2 [0,0,0,1,0,1|1,0,0]=3 50 B25R4.2542966900 O=C(COc1ccc2[nH]c(nc2c1)c3cscn3)NC4CC4 0e043d3074d96efba47dcecd68087ce0 [0,0,0,1,0,1|2,0,0]=4 51 B21R2.32678 CC(C)C(=O)Nc1ccc(cc1)NC(=O)c2ccsc2 a78eaefdd4bcc535ca847e34c51ac7fa [0,0,1,0,1,0|2,0,0]=4 52 B21R2.32678 CC(C)C(=O)Nc1ccc(cc1)NC(=O)c2cocn2 1f9e205a8e894f8ae736a0c92831562d [0,0,1,0,1,0|1,1,0]=4 53 B21R2.32678 CC(C)C(=O)Nc1ccc(cc1)NC(=O)c2cscn2 3fc6a37bed15fa6e371c97dd2b33a286 [0,0,1,0,1,0|1,0,0]=3 54 B21R2.97663 CC(C)NC(=O)c1ccc(cc1)NC(=O)c2cscn2 37142adb343dc1212cf1c9eab1e2eb22 [0,0,1,0,1,0|2,0,0]=4 55 B21R2.97663 CC(C)OC(=O)c1ccc(cc1)NC(=O)c2ccsc2 c764b69105c6889911b712e97eedbdae [0,0,1,0,1,0|2,0,0]=4 56 B21R2.97663 CC(C)OC(=O)c1ccc(cc1)NC(=O)c2cocn2 1483ee3666e7336e3244b7680f011e5d [0,0,1,0,1,0|1,1,0]=4 57 B21R2.97663 CC(C)OC(=O)c1ccc(cc1)NC(=O)c2cscn2 20eb631e5271955a4b51689c9d1dfffc [0,0,1,0,1,0|1,0,0]=3 58 B21R2.32702 CC(C)C(=O)Nc1cccc(c1)NC(=O)c2cscn2 09d32119339c0e306ea24c86dc6e2981 [0,0,1,0,1,0|1,0,1]=4 59 B21R2.97694 CC(C)OC(=O)c1cccc(c1)NC(=O)c2cscn2 5f6f0eaf45951ac85a15327aafae3d45 [0,0,1,0,1,0|1,0,1]=4 60 B21R3.563648 CCOC(=O)c1ccc2[nH]c(nc2c1)c3ccco3 170f5a59d3e0569daf4e0e571ee222ff [1,0,0,0,1,0|2,0,0]=4 61 B21R3.563648 CCOC(=O)c1ccc2[nH]c(nc2c1)c3ccoc3 66a04f987aacefafc49bad902b2bcb72 [1,0,0,0,1,0|1,1,0]=4 62 B21R3.563648 CCOC(=O)c1ccc2[nH]c(nc2c1)c3ncc[nH]3 45d1425b3528e9f1185081c7cf066ea1 [1,0,0,0,1,0|2,0,0]=4 63 B21R3.563648 CCOC(=O)c1ccc2[nH]c(nc2c1)c3nccs3 2b5f07e11ae52c60de03128f5dbd3586 [1,0,0,0,1,0|2,0,0]=4 64 B21R3.563648 CCOC(=O)c1ccc2nc(oc2c1)c3cscn3 24f38b025e43a193c1625722c09c0c71 [1,0,0,0,1,0|1,0,1]=4 65 B21R3.563648 CCOC(=O)c1ccc2nc(sc2c1)c3cscn3 8e38544c2c4f8505086ea514b6603050 [1,0,0,0,1,0|1,0,1]=4 66 B21R3.563648 CCOC(=O)c1ccc2sc(nc2c1)c3ccsc3 f7060ed93d4b108b4efeafd05f77d756 [1,0,0,0,1,0|2,0,0]=4 67 B21R3.563648 CCOC(=O)c1ccc2sc(nc2c1)c3cocn3 75c7351b0b53d5911325f1be1900a898 [1,0,0,0,1,0|1,1,0]=4 68 B21R3.563648 CCOC(=O)c1ccc2sc(nc2c1)c3cscn3 1d0dbb58f217472736976d0ab01f976b [1,0,0,0,1,0|1,0,0]=3 69 B21R3.7874655 CC(C)COc1ccc2[nH]c(nc2c1)c3cscn3 574c6bd11d920d5629ef145b20bf206b [1,0,0,0,1,0|1,0,1]=4 70 B23R2.474543 CC(C)NC(=O)Nc1ccc(cc1)CNC(=O)c2cscn2 60993804f7f9b4e804d96d1d61573baa [0,0,1,0,0,1|2,0,0]=4 71 B23R2.474548 CC(C)CC(=O)Nc1ccc(cc1)NC(=O)Nc2cscn2 1174d1e5d057034eedf732c81a394c21 [0,0,1,0,0,1|2,0,0]=4 72 B23R2.474548 CC(C)CC(=O)Nc1ccc(cc1)NC(=S)Nc2cscn2 74f738f5c72e05d48af1f7d2af639eef [0,0,1,0,0,1|2,0,0]=4 73 B23R2.474548 CC(C)NC(=O)Nc1ccc(cc1)NC(=O)Nc2cscn2 1a1e44e6a4eaf0cebe952ded26bc8fad [0,0,1,0,0,1|2,0,0]=4 74 B23R2.474548 CC(C)NC(=O)Nc1ccc(cc1)NC(=S)Nc2cscn2 43bd33e210ba0fc397d36806893d233e [0,0,1,0,0,1|2,0,0]=4 75 B23R3.21289954 CCCC(=O)COc1ccc2[nH]c(nc2c1)c3cscn3 1a232bf0d547b5b41ce76337030d22a3 [1,0,0,0,0,1|2,0,0]=4 76 B23R3.21289954 CCNC(=O)COc1ccc2[nH]c(nc2c1)c3cscn3 2953320b802a286af494aaf40c4a9ea7 [1,0,0,0,0,1|2,0,0]=4 77 B23R3.21289954 CCOC(=O)CNc1ccc2nc([nH]c2c1)c3cscn3 7a1788586c8168d05f2de7496fbaa3eb [1,0,0,0,0,1|0,0,2]=4 78 B23R3.21289954 CCOC(=O)COc1ccc2[nH]c(nc2c1)c3cscn3 2e545313303968248726d587b98510da [1,0,0,0,0,1|1,0,0]=3 79 B23R3.19157992 CC(C)/C=C/COc1ccc2[nH]c(nc2c1)c3cscn3 e50b4aafcf0a1416507baf2f67def2c8 [1,0,0,0,0,1|2,0,0]=4 80 B23R3.19157992 CC(C)OCCOc1ccc2[nH]c(nc2c1)c3cscn3 3e6df5247665e0ca404035a8477311ce [1,0,0,0,0,1|1,0,1]=4 81 B25R3.32275161 CC(C)OCC(=O)Nc1ccc2oc(nc2c1)c3ccccn3 706353f384ec49b0fee16a97fc927fed [0,0,0,0,0,2|2,0,0]=4 82 B25R3.32275161 CC(C)OCC(=O)Nc1ccc2oc(nc2c1)c3cccnc3 eb843b56ad88b643fb711ca5026caee8 [0,0,0,0,0,2|2,0,0]=4 83 B25R3.73045592 CC(C)CNC(=O)COc1ccc2[nH]c(nc2c1)c3cscn3 82b10bef7db13281b8758af1d4932945 [0,0,0,0,0,2|2,0,0]=4 84 B25R3.46906405 CC(C)OC(=O)CNc1ccc2[nH]c(nc2c1)c3ccccc3 3dfe8278ae323e1996822586b0685a3a [0,0,0,0,0,2|2,0,0]=4 85 B25R3.46906405 CC(C)OC(=O)CNc1ccc2[nH]c(nc2c1)c3ccncc3 e3172e9c9b0d02dc463a83dfd8105a5e [0,0,0,0,0,2|2,0,0]=4 86 B25R3.46906405 CC(C)OC(=O)CNc1ccc2oc(nc2c1)c3ccccn3 aa1cd28ce49e968b43d74ad45d991b20 [0,0,0,0,0,2|2,0,0]=4 87 B25R3.46906405 CC(C)OC(=O)CNc1ccc2oc(nc2c1)c3cccnc3 d67899d375d35614a36f4b55b0cc8f62 [0,0,0,0,0,2|2,0,0]=4 88 B25R3.231637727 CC(C)CC(=O)OCOc1ccc2[nH]c(nc2c1)c3cscn3 1294f7af03c6065e525b8ccef0110e1e [0,0,0,0,0,2|2,0,0]=4 89 B25R3.231637727 CC(C)NC(=O)CCOc1ccc2[nH]c(nc2c1)c3cscn3 01a7edcd520ed97a5a365e6907f3a349 [0,0,0,0,0,2|2,0,0]=4 90 B25R3.231637727 CC(C)OC(=O)CCNc1ccc2nc([nH]c2c1)c3cscn3 e354053b8039db980ea598ab5fbdd795 [0,0,0,0,0,2|0,0,2]=4 91 B25R3.231637727 CC(C)OC(=O)CCOc1ccc2[nH]c(nc2c1)c3cscn3 1a551fc4b08621218562f318a221cc60 [0,0,0,0,0,2|1,0,0]=3 92 B25R3.231637727 CC(C)OC(=O)OCNc1ccc2nc([nH]c2c1)c3cscn3 b74ae85cc8753b4e0fd617c66b89da90 [0,0,0,0,0,2|0,0,2]=4 93 B25R3.231637727 CC(C)OC(=O)OCOc1ccc2[nH]c(nc2c1)c3cscn3 7ca88df7ebfa3e7cce5bccaed818b278 [0,0,0,0,0,2|1,0,0]=3