0 B22R3.252329 Cc1ccccc1NC(=O)c2ccccc2OC3CC3 b94572a3ec8938af5f2de70db4910afe [0,0,1,0,0,0|3,0,0]=4 1 B22R3.252329 Cc1ccncc1NC(=O)c2ccccc2OC3CC3 8bc8e7af494c86bcf309fdf55e45fc56 [0,0,1,0,0,0|2,0,0]=3 2 B22R3.252329 Cc1ccnnc1NC(=O)c2ccccc2OC3CC3 c0d278fea3330709d937c361007c965f [0,0,1,0,0,0|3,0,0]=4 3 B22R3.252329 O=C(Nc1cnccc1F)c2ccccc2OC3CC3 1e54604d60346bfe01f3c4c719237813 [0,0,1,0,0,0|3,0,0]=4 4 B22R3.252329 O=C(Nc1cnccc1I)c2ccccc2OC3CC3 d264804ac9e5f40371a83b9262ea644c [0,0,1,0,0,0|3,0,0]=4 5 B22R3.252329 O=C(Nc1cnccc1O)c2ccccc2OC3CC3 ab20550a13c28cf6770c52212e5e187b [0,0,1,0,0,0|3,0,0]=4 6 B22R3.11523715 Cc1cccc(c1)N(c2ncccc2C(=O)O)C3CC3 470cb1d684bc6bb885219d47dd6cc242 [0,0,1,0,0,0|2,0,0]=3 7 B22R3.11523715 O=C(O)c1cccnc1N(c2cccc(c2)F)C3CC3 fc036a4ce132556f666a629e18f702da [0,0,1,0,0,0|3,0,0]=4 8 B22R3.11523715 O=C(O)c1cccnc1N(c2cccc(c2)O)C3CC3 357262b66d5327e22d8aac2b22f59f52 [0,0,1,0,0,0|3,0,0]=4 9 B21R3.24420 O=C(Nc1cccnc1)c2ccccc2OC3CC3 b6da8616606179b0ff87a1366a9dba29 [1,0,1,0,0,0|2,0,0]=4 10 B21R3.24494 O=C(Nc1ccccc1NC2CC2)c3ccccc3 47ca6bc1518198b3d1a9f51e867b5fe9 [1,0,1,0,0,0|2,0,0]=4 11 B21R3.98133 Cc1cccc(c1C=O)N(c2cccnn2)C3CC3 8cf2440a4fcdbd54110b63ac6acc3652 [1,0,1,0,0,0|2,0,0]=4 12 B21R3.98133 Cc1cccc(c1C=O)N(c2ncccn2)C3CC3 76a5515bd9322669c35bb6abfc36fd52 [1,0,1,0,0,0|2,0,0]=4 13 B21R3.98133 Cc1ccnc(c1C=O)N(c2ccncc2)C3CC3 7e6695e7d9ee9d98ff0314c86cd85137 [1,0,1,0,0,0|2,0,0]=4 14 B21R3.98133 Cc1ccnc(c1C=O)N(c2ncccn2)C3CC3 8d5d264b2c5110320e47cde0fd10df1d [1,0,1,0,0,0|1,0,0]=3 15 B21R3.98133 O=Cc1c(ccnc1N(c2ccccc2)C3CC3)F f1cb695760ce6af04704feb8b2576204 [1,0,1,0,0,0|2,0,0]=4 16 B21R3.98133 O=Cc1c(ccnc1N(c2ncccn2)C3CC3)F e71b4393c9e0eaf98aeacf33cc7e0d30 [1,0,1,0,0,0|2,0,0]=4 17 B21R3.5335346 CCCN1c2ccccc2C(=O)Nc3c1nccc3 815464bbb36644701cac9eddf95d7181 [1,0,1,0,0,0|1,0,0]=3 18 B21R3.5335346 CCCN1c2ccccc2NC(=O)c3c1nccc3 7084e7796bd903e23db269de117bf155 [1,0,1,0,0,0|1,0,0]=3 19 B21R3.5335346 COCN1c2ccccc2C(=O)Nc3c1nccc3 bb7973fbb028e060185ba00aacf2a484 [1,0,1,0,0,0|2,0,0]=4 20 B21R3.5335346 COCN1c2ccccc2NC(=O)c3c1nccc3 20654682440148667e04c810639bcec2 [1,0,1,0,0,0|2,0,0]=4 21 B21R3.5335346 CSCN1c2ccccc2NC(=O)c3c1nccc3 4d41ec2d9272184a64403ffdb07befd4 [1,0,1,0,0,0|2,0,0]=4 22 B21R3.5335346 O=C1Nc2ccccc2N(c3c1cccn3)CCF 212098c6f8fd1285156318b4e3289bec [1,0,1,0,0,0|2,0,0]=4 23 B21R3.5335346 O=C1Nc2ccccc2N(c3c1cccn3)CCO e156dd3c1899ca89a29bb7134bedd75c [1,0,1,0,0,0|2,0,0]=4 24 B21R3.5335346 O=C1Nc2ccccc2N(c3c1cccn3)CCS 79ba519a83c8017dc7f118f36b842c9e [1,0,1,0,0,0|2,0,0]=4 25 B21R3.5335346 O=C1Nc2cccnc2N(c3c1cccc3)CCF f66bfbe20e17fb15e0b730033d2e4562 [1,0,1,0,0,0|2,0,0]=4 26 B21R3.5335346 O=C1Nc2cccnc2N(c3c1cccc3)CCO 21fa2d31a080d959588967ce31f20389 [1,0,1,0,0,0|2,0,0]=4 27 B21R3.5335346 O=C1Nc2cccnc2N(c3c1cccc3)CCS 07d10b4cfc425082500f87b97834ca3e [1,0,1,0,0,0|2,0,0]=4 28 B21R3.6855163 CC(C)N1c2ccccc2NC(=O)c3c1nccc3 936ec11663c67cf3096f5c02e514ac98 [1,0,1,0,0,0|1,0,0]=3 29 B21R3.515239 CC(=O)c1cccnc1N(c2ccccc2)C3CC3 c95e60eedd5d4b5fcf97e1e3956e1773 [1,0,1,0,0,0|2,0,0]=4 30 B21R3.515239 CC(=O)c1cccnc1N(c2cccnn2)C3CC3 f7dea856720df7c397c45cbaa2f831ca [1,0,1,0,0,0|2,0,0]=4 31 B21R3.515239 CC(=O)c1cccnc1N(c2ncccn2)C3CC3 fae4c18606f30265366d29e668e6a150 [1,0,1,0,0,0|2,0,0]=4 32 B21R3.515239 NC(=O)c1ccccc1N(c2ncccn2)C3CC3 f962d593f69580604e52aaccb935b48d [1,0,1,0,0,0|2,0,0]=4 33 B21R3.515239 NC(=O)c1cccnc1N(c2ccncc2)C3CC3 4bfbb3dae31be00a7b4356bcd7616385 [1,0,1,0,0,0|2,0,0]=4 34 B21R3.515239 NC(=S)c1cccnc1N(c2ccccc2)C3CC3 f320319f4405ee4836926766b0d47456 [1,0,1,0,0,0|1,1,0]=4 35 B21R3.515239 NC(=S)c1cccnc1N(c2cccnn2)C3CC3 1f7f0ffe4c41ad0350b0054fac36961c [1,0,1,0,0,0|1,1,0]=4 36 B21R3.515239 NC(=S)c1cccnc1N(c2ncccn2)C3CC3 9bc4b96cf0481d5d861c2536a0a91c0d [1,0,1,0,0,0|1,1,0]=4 37 B21R3.515239 O=C(O)c1cccnc1N(c2ccccc2)C3CC3 5f6d40ee81d08b1430ed8ffe8d40b802 [1,0,1,0,0,0|2,0,0]=4 38 B21R3.515239 O=C(O)c1cccnc1N(c2ncccn2)C3CC3 45968384c9aafc2b51e31564fec941a3 [1,0,1,0,0,0|2,0,0]=4 39 B23R3.7948186 Cc1c(ccnc1N(c2ncccc2C(=O)O)C3CC3)F 02defca26977f65902001de588b42f51 [0,1,1,0,0,0|2,0,0]=4 40 B23R3.7948186 Cc1cccc(c1C)N(c2ncccc2C(=O)O)C3CC3 0f7cac8886ef401f2bf786a6730fa35d [0,1,1,0,0,0|2,0,0]=4 41 B23R3.7948186 Cc1cccc(c1F)N(c2ncccc2C(=O)O)C3CC3 1c151510e70448b53745a0ed3e6ce32b [0,1,1,0,0,0|2,0,0]=4 42 B23R3.7948186 Cc1ccnc(c1F)N(c2ncccc2C(=O)O)C3CC3 c4c716bde5ff0c43e300ef5216921fdd [0,1,1,0,0,0|1,0,0]=3 43 B23R3.7948186 Cc1ncnc(c1C)N(c2ncccc2C(=O)O)C3CC3 fcfe87da7102020ed0072e7861689d7d [0,1,1,0,0,0|2,0,0]=4 44 B23R3.7948186 Cc1ncnc(c1F)N(c2ncccc2C(=O)O)C3CC3 2e154716246e6911e5afb990f6b2e10d [0,1,1,0,0,0|2,0,0]=4 45 B23R3.7948186 Cn1ccnc(c1=O)N(c2ncccc2C(=O)O)C3CC3 80ecfbf241b62e73b6635a3bcb627faa [0,1,1,0,0,0|2,0,0]=4 46 B23R3.7948186 Nc1ncnc(c1N)N(c2ncccc2C(=O)O)C3CC3 ea98ddebca931b456299964aa05b9689 [0,1,1,0,0,0|2,0,0]=4 47 B23R3.7948186 O=C(O)c1cccnc1N(c2nccc(c2F)F)C3CC3 4764ea8501ca73784ab9395ed0eb2922 [0,1,1,0,0,0|2,0,0]=4 48 B23R3.156679 Cc1ccncc1N(C)C(=O)c2ccccc2OC3CC3 d1b5f2e6d4e92482eed36065c7958549 [0,1,1,0,0,0|2,0,0]=4 49 B23R3.807645 Cc1c(cncc1NC(=O)c2ccccc2OC3CC3)Br 654b6c669a008a5b4dd5cf94f96c31ac [0,1,1,0,0,0|2,0,0]=4 50 B23R3.807645 Cc1c(cncc1NC(=O)c2ccccc2OC3CC3)F 2b6999ab114b1d1ccf54d76a193a566b [0,1,1,0,0,0|2,0,0]=4 51 B23R3.2051522 O=C(Nc1cnccc1CO)c2ccccc2OC3CC3 41dd28fa5807b80d750a908d777719f5 [0,1,1,0,0,0|2,0,0]=4 52 B23R3.8264039 Cc1ccccc1NC(=O)c2c(cccc2NC3CC3)C 22ba1bf067aa13fe686cf7c974aa4c74 [0,1,1,0,0,0|2,0,0]=4 53 B23R3.17842163 Cc1ccnc(c1NC(=O)c2ccccc2OC3CC3)C f489ee35aa2457f347a48f05e3862993 [0,1,1,0,0,0|2,0,0]=4 54 B23R3.17842163 Cc1ccnc(c1NC(=O)c2ccccc2OC3CC3)Cl 2e1fb74d96294b188e538bf5fb213042 [0,1,1,0,0,0|2,0,0]=4 55 B23R3.17842163 Cc1ccnc(c1NC(=O)c2ccccc2OC3CC3)F 2a39fa94b6c1a713f4d9e86b5df56f5b [0,1,1,0,0,0|2,0,0]=4 56 B23R3.17842163 Cc1ccnc(c1NC(=O)c2ccccc2OC3CC3)O a13d82da63a7e0d093027c40ad8187f7 [0,1,1,0,0,0|2,0,0]=4 57 B23R3.18031289 Cc1ccncc1NC(=O)c2cc(ccc2OC3CC3)F 57cd4602b07f976953161b5c8ae11c4d [0,1,1,0,0,0|2,0,0]=4 58 B23R3.7609461 CC(=O)c1cccnc1N(c2nc(cc(n2)C)C)C3CC3 22bf6f0d963a91df823c31246b987425 [0,1,1,0,0,0|2,0,0]=4 59 B23R3.7609461 Cc1cc(nc(n1)C)N(c2ncccc2C(=O)O)C3CC3 9ee3d930f406555c5fc8e1c546baa3cd [0,1,1,0,0,0|2,0,0]=4 60 B23R3.7609461 Cc1cc(nc(n1)N(c2ccccc2C(=O)N)C3CC3)C b84dcc167be156a01981bb88da89eb9f [0,1,1,0,0,0|2,0,0]=4 61 B23R3.7609461 Cc1cc(nc(n1)N(c2ncccc2C(=S)N)C3CC3)C 9723e5a48d6711dd7569f4edd5a14a9e [0,1,1,0,0,0|1,1,0]=4 62 B23R3.18023821 Cc1ccc(c(c1)N(c2ncccc2C(=O)O)C3CC3)C c1f0b40197723f0b49856d51af7dcc83 [0,1,1,0,0,0|2,0,0]=4 63 B23R3.18023821 Cc1ccc(c(c1)N(c2ncccc2C(=O)O)C3CC3)F 275a2f32c6f0b2d97c84f76d821baa40 [0,1,1,0,0,0|2,0,0]=4 64 B23R3.24436153 Cc1cc(ccc1F)N(c2ncccc2C(=O)O)C3CC3 82e7e29cb08e77089b3adde3bab543ae [0,1,1,0,0,0|2,0,0]=4 65 B23R3.24436153 Cc1ccc(cc1C)N(c2ncccc2C(=O)O)C3CC3 c401315a6fcbbf46aa41f8aaa00345f0 [0,1,1,0,0,0|2,0,0]=4 66 B23R3.24436153 Cc1cnc(cc1F)N(c2ncccc2C(=O)O)C3CC3 a6746ee910d4d8690fd819316df0a7f1 [0,1,1,0,0,0|2,0,0]=4 67 B23R3.30719404 CCc1cccc(c1)N(c2ncccc2C(=O)O)C3CC3 d173b340b8b21570a9bb72254ccac1f3 [0,1,1,0,0,0|2,0,0]=4 68 B23R3.30719404 COc1cccc(c1)N(c2ncccc2C(=O)O)C3CC3 20ee318af0b59b27b68c9cc5013181d6 [0,1,1,0,0,0|2,0,0]=4 69 B23R3.30719404 COc1ccnc(n1)N(c2ncccc2C(=O)O)C3CC3 81579699514ee7abf4d66b382b8db43b [0,1,1,0,0,0|2,0,0]=4 70 B23R3.30719404 CSc1cc(ncn1)N(c2ncccc2C(=O)O)C3CC3 591d9bd55420b70fb61de3848aabbd0d [0,1,1,0,0,0|2,0,0]=4 71 B23R3.30719404 CSc1cccc(c1)N(c2ncccc2C(=O)O)C3CC3 b2f09c435b9b69e8930caaa7f216ff9c [0,1,1,0,0,0|2,0,0]=4 72 B23R3.30719404 CSc1ccnc(c1)N(c2ncccc2C(=O)O)C3CC3 960ff90fadcde6689b39c9db1e939729 [0,1,1,0,0,0|1,0,0]=3 73 B23R3.30719404 O=C(O)c1cccnc1N(c2cccc(c2)CF)C3CC3 4649e9e804303c4e54d4cb4f17113f45 [0,1,1,0,0,0|2,0,0]=4 74 B23R3.30719404 O=C(O)c1cccnc1N(c2cccc(c2)CO)C3CC3 32f4f4de9f2f13ad9e406c1b17d73ba3 [0,1,1,0,0,0|2,0,0]=4 75 B23R3.30719404 O=C(O)c1cccnc1N(c2cccc(c2)CS)C3CC3 af8b71a58883aa1c6055d000ad3103e0 [0,1,1,0,0,0|2,0,0]=4 76 B21R2.106940 CC(=O)Nc1ncccc1C(=O)Nc2cnccc2C 9f7446b811f5056744115a6d6eeabbe0 [0,0,2,0,0,0|1,0,1]=4 77 B21R2.106940 CC(C)Oc1ncccc1C(=O)Nc2cnccc2Br d365b76073267839446adbf2bb0a324e [0,0,2,0,0,0|2,0,0]=4 78 B21R2.106940 CC(C)Oc1ncccc1C(=O)Nc2cnccc2F 292d7cd9b68ca387cff3b9b14182cdd3 [0,0,2,0,0,0|2,0,0]=4 79 B21R2.106940 CC(C)Oc1ncccc1C(=O)Nc2cnccc2I f718115f7e4aaf01f0a1d48f73762b01 [0,0,2,0,0,0|2,0,0]=4 80 B21R2.106940 CC(C)Oc1ncccc1C(=O)Nc2cnccc2O ec26a83197a2e1d253d8f1384bbfc81b [0,0,2,0,0,0|2,0,0]=4 81 B21R2.106940 CC(C)Oc1ncccc1C(=O)Nc2cnccc2S ef86a6aec52f6c5354e1f8b9f11ebddc [0,0,2,0,0,0|2,0,0]=4 82 B21R2.106940 Cc1ccccc1NC(=O)c2cccnc2OC(C)C 29aebeb38f0b182a93bbf4d4b0f92d77 [0,0,2,0,0,0|2,0,0]=4 83 B21R2.106940 Cc1ccncc1NC(=O)c2ccccc2OC(C)C 36d8928d4da9d40fa6ea26d8528dedbc [0,0,2,0,0,0|2,0,0]=4 84 B21R2.106940 Cc1ccncc1NC(=O)c2cccnc2OC(C)C 641043238c0aaa7051d230d4514c956a [0,0,2,0,0,0|1,0,0]=3 85 B21R2.106940 Cc1ccncc1NC(=O)c2nccnc2OC(C)C dd646d7950842f714339b4a404672def [0,0,2,0,0,0|2,0,0]=4 86 B21R2.106940 Cc1ccnnc1NC(=O)c2cccnc2OC(C)C 161a417b04a29d5a0783657723dd61f0 [0,0,2,0,0,0|2,0,0]=4 87 B21R2.106940 Cc1ncncc1NC(=O)c2cccnc2OC(C)C f1a7d20c3f8c3a8bb83a6c1e381f6220 [0,0,2,0,0,0|2,0,0]=4 88 B21R2.395198 CCCNc1ccccc1C(=O)Nc2ccccc2C e314bcceb884c623137d8dc730eae5ee [0,0,2,0,0,0|2,0,0]=4 89 B21R2.395198 CCCOc1ccccc1C(=O)Nc2cnccc2C 223abdfd17bab327109fba7d9cce826e [0,0,2,0,0,0|2,0,0]=4 90 B21R2.395198 CCCOc1ncccc1C(=O)Nc2ccccc2C 3c728e348fa0943dd6a73945de34a320 [0,0,2,0,0,0|2,0,0]=4 91 B21R2.395198 CCCOc1ncccc1C(=O)Nc2cnccc2C 565ffd694287f52f3f39cb521e8fe997 [0,0,2,0,0,0|1,0,0]=3 92 B21R2.395198 CCCOc1ncccc1C(=O)Nc2cnccc2F 62af61355168d977e28b2daf7352f69b [0,0,2,0,0,0|2,0,0]=4 93 B21R2.395198 CCCOc1ncccc1C(=O)Nc2cnccc2I b9eada43931dc444e3983f2357bbb115 [0,0,2,0,0,0|2,0,0]=4 94 B21R2.395198 CCCOc1ncccc1C(=O)Nc2cnccc2O 726df10e4f9a0db9119ae6e625d07f60 [0,0,2,0,0,0|2,0,0]=4 95 B21R2.395198 CCCOc1ncccc1C(=O)Nc2nnccc2C 938246575b83b928763bfaf55e419235 [0,0,2,0,0,0|2,0,0]=4 96 B21R2.395198 CCCSc1ncccc1C(=O)Nc2ccccc2C 4093cdbffaf1765195043c7dd64fed1e [0,0,2,0,0,0|2,0,0]=4 97 B21R2.395198 CCCSc1ncccc1C(=O)Nc2cnccc2Br ac0f11461576e445cd74e472a6130216 [0,0,2,0,0,0|2,0,0]=4 98 B21R2.395198 CCCSc1ncccc1C(=O)Nc2cnccc2C bf65d79ba14b815022333bf0c4257c1f [0,0,2,0,0,0|1,0,0]=3 99 B21R2.395198 CCCSc1ncccc1C(=O)Nc2cnccc2F 337538ec5423cfdceee23ba62e6f0215 [0,0,2,0,0,0|2,0,0]=4 100 B21R2.395198 CCCSc1ncccc1C(=O)Nc2cnccc2I 3be6a764b13af3b9ef989878e1827124 [0,0,2,0,0,0|2,0,0]=4 101 B21R2.395198 CCCSc1ncccc1C(=O)Nc2cnccc2O b93b1db43f9f7b87473dfe8e27327e45 [0,0,2,0,0,0|2,0,0]=4 102 B21R2.395198 CCCSc1ncccc1C(=O)Nc2cnccc2S c54c4d7cae24884cae2da0cf1e462814 [0,0,2,0,0,0|2,0,0]=4 103 B21R2.222562 Cc1cccc(c1NC(=O)c2cccnc2)OC(C)C d78123249e1a49244e3aeaa100928429 [0,0,2,0,0,0|2,0,0]=4 104 B21R2.286423 CCCN(c1cccc(c1)C)c2ccccc2C(=O)N bf46dc85e52c8ee7f0234cc735b0449e [0,0,2,0,0,0|2,0,0]=4 105 B21R2.286423 CCCN(c1cccc(c1)C)c2ncccc2C(=O)C c49ccf50c55208d6aeb1080cea2a3e55 [0,0,2,0,0,0|2,0,0]=4 106 B21R2.286423 CCCN(c1cccc(c1)C)c2ncccc2C(=O)N 9a11eb3a5119c510ca649a5d6431dfd3 [0,0,2,0,0,0|1,0,0]=3 107 B21R2.286423 CCCN(c1cccc(c1)C)c2ncccc2C(=O)O 1431081cb354a26bf809ac85d357af77 [0,0,2,0,0,0|2,0,0]=4 108 B21R2.286423 CCCN(c1cccc(c1)C)c2ncccc2C(=S)N f46c1efcc0f3a367c0ef74fb7481edec [0,0,2,0,0,0|1,1,0]=4 109 B21R2.286423 CCCN(c1cccc(c1)O)c2ncccc2C(=O)N a0528269ca19fb6b79f12cda15d92982 [0,0,2,0,0,0|2,0,0]=4 110 B21R2.286423 Cc1cccc(c1)N(CCO)c2ncccc2C(=O)N dbe14d5885e11cf7ed5d1546ee25b3d6 [0,0,2,0,0,0|2,0,0]=4 111 B21R2.286423 Cc1ccnc(c1)N(CCCl)c2ccccc2C(=O)N b7e58d759a4419588522f3be6c70fd12 [0,0,2,0,0,0|2,0,0]=4 112 B21R2.103251 CC(=O)c1cccnc1N(c2cccc(c2)C)C(C)C 1cd9f2437851b4b96ea27ae4ff87f5f8 [0,0,2,0,0,0|2,0,0]=4 113 B21R2.103251 CC(=O)c1cccnc1N(c2nccc(n2)C)C(C)C c6f0156e91a91f4861aba279cefc9d17 [0,0,2,0,0,0|2,0,0]=4 114 B21R2.103251 Cc1cccc(c1)N(c2ncccc2C(=O)O)C(C)C 0b69802c2833cda08e545803cb70e591 [0,0,2,0,0,0|2,0,0]=4 115 B21R2.103251 Cc1cccc(c1)N(c2ncccc2C(=S)N)C(C)C da0c6805ae7d1196d1c6f2f89c883197 [0,0,2,0,0,0|1,1,0]=4 116 B21R2.103251 Cc1ccnc(n1)N(c2ccccc2C(=O)N)C(C)C 487e44b2c12101e27e109be8a818c54f [0,0,2,0,0,0|2,0,0]=4 117 B21R2.103251 Cc1ccnc(n1)N(c2ncccc2C(=O)N)C(C)C db2db4011043a58c74d6fd7fbcf08f0b [0,0,2,0,0,0|1,0,0]=3 118 B21R2.103251 Cc1ccnc(n1)N(c2ncccc2C(=S)N)C(C)C b3f70826472a31dc05aaccd65605879a [0,0,2,0,0,0|1,1,0]=4 119 B23R4.2694668 Cc1cccc2c1[nH]c(c2)c3cccnc3NC4CC4 572fe120c5ba454beaa0759669ebde28 [0,0,1,1,0,0|2,0,0]=4 120 B23R4.11660161 Fc1ccncc1Nc2cn(c3c2cccn3)C4CC4 fbacce0eabf3c030e43c6f054e6719c6 [0,0,1,1,0,0|2,0,0]=4 121 B21R3.159603 Cc1ccncc1NC(=O)c2ccnn2CC3CC3 7d8524aeae5a63b0c3e4beec74d149fc [0,0,1,0,1,0|2,0,0]=4 122 B21R3.159605 Cc1ccccc1NC(=O)c2ccccc2C3CC3 1d12837b238e1b7b8bce5f8ed5821ce8 [0,0,1,0,1,0|2,0,0]=4 123 B21R3.159605 Cc1ccccc1NC(=O)c2cccnc2C3CC3 cd56205c5f283a9fdefb785865cb51bc [0,0,1,0,1,0|1,0,0]=3 124 B21R3.159605 Cc1ccccc1NC(=O)c2cncnc2C3CC3 2b7be523ef03b53924073f6cbd7c2755 [0,0,1,0,1,0|2,0,0]=4 125 B21R3.159605 Cc1ccccc1NC(=O)c2nccnc2C3CC3 c50bd7c17ce5dcf795d23c627bc125d3 [0,0,1,0,1,0|2,0,0]=4 126 B21R3.159605 Cc1cccnc1NC(=O)c2cccnc2C3CC3 e31f1888aa47a07c737bb8a164c41b23 [0,0,1,0,1,0|2,0,0]=4 127 B21R3.159605 Cc1ccncc1NC(=O)c2ccccc2C3CC3 a7049fcfbddc05ce2db4f58205daf983 [0,0,1,0,1,0|1,0,0]=3 128 B21R3.159605 Cc1ccncc1NC(=O)c2cccnc2C3CC3 e6cd7c34ea7cac79ce88ac5204031775 [0,0,1,0,1,0|0,0,0]=2 129 B21R3.159605 Cc1ccncc1NC(=O)c2ccncc2C3CC3 880c8e21d0bd8266a83975f94371164c [0,0,1,0,1,0|2,0,0]=4 130 B21R3.159605 Cc1ccncc1NC(=O)c2cnccc2C3CC3 ad81fed8b831fd248dc175471693b492 [0,0,1,0,1,0|2,0,0]=4 131 B21R3.159605 Cc1ccncc1NC(=O)c2ncccc2C3CC3 064cd01476fed3ca846d58c501dcf05c [0,0,1,0,1,0|2,0,0]=4 132 B21R3.159605 Cc1ccncc1NC(=O)c2nccnc2C3CC3 f9fe91dff583ac39ec8dc751074b2e4b [0,0,1,0,1,0|1,0,0]=3 133 B21R3.159605 Cc1ccnnc1NC(=O)c2ccccc2C3CC3 7c070976ac8838fb5b40d4c805c5df04 [0,0,1,0,1,0|2,0,0]=4 134 B21R3.159605 Cc1ccnnc1NC(=O)c2cccnc2C3CC3 ebf2c4a0e8ec22d9b274875a886314e6 [0,0,1,0,1,0|1,0,0]=3 135 B21R3.159605 Cc1ccnnc1NC(=O)c2nccnc2C3CC3 ae656f06143c4bd66202e6c7b339df25 [0,0,1,0,1,0|2,0,0]=4 136 B21R3.159605 Cc1cnccc1NC(=O)c2cccnc2C3CC3 a7fb096cfb610ef118e3a91a02b6e765 [0,0,1,0,1,0|2,0,0]=4 137 B21R3.159605 Cc1ncccc1NC(=O)c2cccnc2C3CC3 82839bdea320ff7a21d66e428e2bdb71 [0,0,1,0,1,0|2,0,0]=4 138 B21R3.159605 Cc1ncncc1NC(=O)c2cccnc2C3CC3 8e0762e59c054d0a9a3b316b4dc13aa3 [0,0,1,0,1,0|1,0,0]=3 139 B21R3.159605 Cc1ncncc1NC(=O)c2nccnc2C3CC3 77c21f1f598118ce6bb413c3170419f4 [0,0,1,0,1,0|2,0,0]=4 140 B21R3.159605 O=C(Nc1ccccc1Cl)c2cccnc2C3CC3 30ebfdc7efbe9055d21b42da4e5ceef9 [0,0,1,0,1,0|2,0,0]=4 141 B21R3.159605 O=C(Nc1ccccc1I)c2cccnc2C3CC3 484bc1a16f6724fb95bbc9ffbe81100f [0,0,1,0,1,0|2,0,0]=4 142 B21R3.159605 O=C(Nc1ccccc1O)c2cccnc2C3CC3 486df557001e5b0fdf23590d7737dd73 [0,0,1,0,1,0|2,0,0]=4 143 B21R3.159605 O=C(Nc1ccccc1S)c2cccnc2C3CC3 26e9979884d57aec9d2858d8ecc4055f [0,0,1,0,1,0|2,0,0]=4 144 B21R3.159605 O=C(Nc1cnccc1F)c2ccccc2C3CC3 8dd0fbffc5dacf576016d97a3a5d664a [0,0,1,0,1,0|2,0,0]=4 145 B21R3.159605 O=C(Nc1cnccc1F)c2cccnc2C3CC3 22f78dc7ec64b7b2349cdf34f4dae86c [0,0,1,0,1,0|1,0,0]=3 146 B21R3.159605 O=C(Nc1cnccc1F)c2cncnc2C3CC3 c8a579193969dc0266f6d2292b64e5e3 [0,0,1,0,1,0|2,0,0]=4 147 B21R3.159605 O=C(Nc1cnccc1F)c2nccnc2C3CC3 afaf378745e9c5e47bc50f3fdf92a760 [0,0,1,0,1,0|2,0,0]=4 148 B21R3.159605 O=C(Nc1cnccc1I)c2ccccc2C3CC3 69a2cdc9043b9dafca05daa3a13baec0 [0,0,1,0,1,0|2,0,0]=4 149 B21R3.159605 O=C(Nc1cnccc1I)c2cccnc2C3CC3 c77dbc3aa0d5c6e6fe79958bf8feea3a [0,0,1,0,1,0|1,0,0]=3 150 B21R3.159605 O=C(Nc1cnccc1I)c2cncnc2C3CC3 ad2244236edc1d5d07f9e798104bba13 [0,0,1,0,1,0|2,0,0]=4 151 B21R3.159605 O=C(Nc1cnccc1I)c2nccnc2C3CC3 62579eeb539d369c84c7bdb73cd3fbbe [0,0,1,0,1,0|2,0,0]=4 152 B21R3.159605 O=C(Nc1cnccc1O)c2ccccc2C3CC3 b50f35058ceb379a531b86bb39285762 [0,0,1,0,1,0|2,0,0]=4 153 B21R3.159605 O=C(Nc1cnccc1O)c2cccnc2C3CC3 9b56a91be2f82d6dc81acd8a85ea0416 [0,0,1,0,1,0|1,0,0]=3 154 B21R3.159605 O=C(Nc1cnccc1O)c2nccnc2C3CC3 e939fecbc573f9ea3d6703993f106047 [0,0,1,0,1,0|2,0,0]=4 155 B21R3.159605 O=C(Nc1cncnc1I)c2cccnc2C3CC3 6230b734d1dc69358518dac4a504d414 [0,0,1,0,1,0|2,0,0]=4 156 B21R3.468358 O=C(c1ccccc1)c2c(ccnc2NC3CC3)Cl c8cdf6827419198665756479d36491d1 [0,0,1,0,1,0|2,0,0]=4 157 B21R3.468969 Cc1cccc(c1NC(=O)c2ccccc2)C3CC3 8280df8bd8d24ff19ed858d180a2f10b [0,0,1,0,1,0|2,0,0]=4 158 B21R3.468969 Cc1cccc(c1NC(=O)c2cccnc2)C3CC3 2f343e6c3b72032ebbfc766142303186 [0,0,1,0,1,0|1,0,0]=3 159 B21R3.468969 Cc1cccc(c1NC(=O)c2cnccn2)C3CC3 2bbc1abf0075a1414a5af00a5cd4561f [0,0,1,0,1,0|2,0,0]=4 160 B21R3.468969 Cc1cccc(c1NC(=O)c2cncnc2)C3CC3 87fb40dec1620488d1fe23a0502186d2 [0,0,1,0,1,0|2,0,0]=4 161 B21R3.468969 Cc1ccnc(c1NC(=O)c2ccccc2)C3CC3 1907ed7a70cba60523acdafa9736e747 [0,0,1,0,1,0|1,0,0]=3 162 B21R3.468969 Cc1ccnc(c1NC(=O)c2ccccn2)C3CC3 487d34dbbc7dfe1ba3c098b3d532df97 [0,0,1,0,1,0|2,0,0]=4 163 B21R3.468969 Cc1ccnc(c1NC(=O)c2cccnc2)C3CC3 7d29cfd4b9c7a1b58d1863b298aab1c7 [0,0,1,0,1,0|0,0,0]=2 164 B21R3.468969 Cc1ccnc(c1NC(=O)c2cccnn2)C3CC3 3d6c99d8100362d669490ab587736a0d [0,0,1,0,1,0|1,0,0]=3 165 B21R3.468969 Cc1ccnc(c1NC(=O)c2ccncc2)C3CC3 f164bca4659e8fee485f266392895c8d [0,0,1,0,1,0|2,0,0]=4 166 B21R3.468969 Cc1ccnc(c1NC(=O)c2cnccn2)C3CC3 ff0b6e0912a84b4ddd17df865da062fd [0,0,1,0,1,0|1,0,0]=3 167 B21R3.468969 Cc1ccnc(c1NC(=O)c2cncnc2)C3CC3 8f79bfaecd29d235013d205cfad78aff [0,0,1,0,1,0|1,0,0]=3 168 B21R3.468969 O=C(Nc1c(cccc1C2CC2)Br)c3cccnc3 447f4aa63ec634f33f7224d8c486b76b [0,0,1,0,1,0|2,0,0]=4 169 B21R3.468969 O=C(Nc1c(cccc1C2CC2)F)c3cccnc3 e1e1f4b428d6abc0ddb65fac905e38e1 [0,0,1,0,1,0|2,0,0]=4 170 B21R3.468969 O=C(Nc1c(ncnc1C2CC2)Cl)c3cccnc3 261805b7c1259706ed1953d135673f90 [0,0,1,0,1,0|2,0,0]=4 171 B21R3.3729424 Cc1cc(no1)N(c2ncccc2C(=O)O)C3CC3 9f7acf1f5156137c586a32144f967e96 [0,0,1,0,1,0|2,0,0]=4 172 B21R3.3729424 Cc1ccc(o1)N(c2ncccc2C(=O)O)C3CC3 e2d43bac4c09479e876f809e9ecd52bc [0,0,1,0,1,0|2,0,0]=4 173 B21R3.3729424 Cc1cnc(o1)N(c2ncccc2C(=O)O)C3CC3 2a3dfc291b1756e46daaa02ae009a694 [0,0,1,0,1,0|2,0,0]=4 174 B23R3.157431 Cc1ccncc1CNC(=O)c2ccccc2OC3CC3 e84ec9da81226220bb265c7c40cc3619 [0,0,1,0,0,1|2,0,0]=4 175 B23R3.8263460 Cc1ccccc1NC(=O)c2ccccc2NCC3CC3 4b81523d2df5c2c8161e867c8d7c341d [0,0,1,0,0,1|2,0,0]=4 176 B23R3.8263460 Cc1ccccc1NC(=O)c2cccnc2OCC3CC3 90cd7db4e9981e4c608236995f0efdf4 [0,0,1,0,0,1|2,0,0]=4 177 B23R3.8263460 Cc1ccncc1NC(=O)c2ccccc2OCC3CC3 f3ed4915adc4731544d9cb40992b5be0 [0,0,1,0,0,1|2,0,0]=4 178 B23R3.8263460 Cc1ccncc1NC(=O)c2cccnc2OCC3CC3 6ca311a62b0d8a070c7772b98f2951bb [0,0,1,0,0,1|1,0,0]=3 179 B23R3.8263460 Cc1ccncc1NC(=O)c2nccnc2OCC3CC3 e38ee90c7903c297b47ccdd14ef78258 [0,0,1,0,0,1|2,0,0]=4 180 B23R3.8263460 Cc1ccnnc1NC(=O)c2cccnc2OCC3CC3 f790bd7f6b7fae6bd66ceb7a14896ae4 [0,0,1,0,0,1|2,0,0]=4 181 B23R3.8263460 Cc1ncncc1NC(=O)c2cccnc2OCC3CC3 c6e4a27114bd3e327015608670890fbf [0,0,1,0,0,1|2,0,0]=4 182 B23R3.8263460 O=C(Nc1cnccc1Br)c2cccnc2OCC3CC3 31e9642bdee2752ccc1ce26d004f6870 [0,0,1,0,0,1|2,0,0]=4 183 B23R3.8263460 O=C(Nc1cnccc1F)c2cccnc2OCC3CC3 a5bb13a7cf836a46eb232a8b62c29304 [0,0,1,0,0,1|2,0,0]=4 184 B23R3.8263460 O=C(Nc1cnccc1I)c2cccnc2OCC3CC3 cbeb59894fb9b0af2d626326b56f071d [0,0,1,0,0,1|2,0,0]=4 185 B23R3.8263460 O=C(Nc1cnccc1O)c2cccnc2OCC3CC3 88c59fd35a00822382fa05ebe7fefac3 [0,0,1,0,0,1|2,0,0]=4 186 B23R3.8263588 Cc1ccccc1NC(=O)c2cccnc2OC3CCC3 c263455fbe6058136a7804afc7b8225f [0,0,1,0,0,1|2,0,0]=4 187 B23R3.8263588 Cc1ccncc1NC(=O)c2cccnc2OC3CCC3 5f7d436bd018f8cc19d03d1f71036a52 [0,0,1,0,0,1|1,0,0]=3 188 B23R3.8263588 Cc1ccncc1NC(=O)c2nccnc2OC3CCC3 e12656d4c2ce521f6579d27b2c5a5c65 [0,0,1,0,0,1|2,0,0]=4 189 B23R3.8263588 Cc1ccnnc1NC(=O)c2cccnc2OC3CCC3 9f7419b4e320e8f17c01a953bdc2902b [0,0,1,0,0,1|2,0,0]=4 190 B23R3.8263588 Cc1ncncc1NC(=O)c2cccnc2OC3CCC3 18cf183c251a70d20145724a78811dfd [0,0,1,0,0,1|2,0,0]=4 191 B23R3.8263588 O=C(Nc1cnccc1F)c2cccnc2OC3CCC3 1f8562cd4ca6d8884447b5488827e2b3 [0,0,1,0,0,1|2,0,0]=4 192 B23R3.8263588 O=C(Nc1cnccc1I)c2cccnc2OC3CCC3 cc122f83accf276db2cb7004f6f90d29 [0,0,1,0,0,1|2,0,0]=4 193 B23R3.8263588 O=C(Nc1cnccc1O)c2cccnc2OC3CCC3 049a4404c72673cd8375b9ccfaba2f0f [0,0,1,0,0,1|2,0,0]=4 194 B23R3.136090 CC(=O)c1cccnc1N(Cc2cccc(c2)C)C3CC3 09be3b589a36a39410f4b333ee103933 [0,0,1,0,0,1|2,0,0]=4 195 B23R3.136090 Cc1cc(ncn1)CN(c2ncccc2C(=O)O)C3CC3 2e73e217932b7fa89dd3cbd480282128 [0,0,1,0,0,1|2,0,0]=4 196 B23R3.136090 Cc1cccc(c1)CN(c2ncccc2C(=O)O)C3CC3 b15317b8b12292b18ffc705a12d1f119 [0,0,1,0,0,1|2,0,0]=4 197 B23R3.136090 Cc1cccc(c1)CN(c2ncccc2C(=S)N)C3CC3 90a2c3d5b97d62e94f105fe634f06476 [0,0,1,0,0,1|1,1,0]=4 198 B23R3.136090 Cc1ccnc(c1)CN(c2ncccc2C(=O)O)C3CC3 2563e1c6fefe75797f3331460580485d [0,0,1,0,0,1|1,0,0]=3 199 B23R3.136090 Cc1ccnc(c1)CN(c2ncccc2[N+](=O)[O-])C3CC3 cacd571313957516257f2cdccc078901 [0,0,1,0,0,1|2,0,0]=4 200 B23R3.136090 Cc1ccnc(n1)CN(c2ncccc2C(=O)O)C3CC3 f97d0019bdcdaf23da7cd591df996d36 [0,0,1,0,0,1|2,0,0]=4 201 B23R3.136090 Cc1cnnc(c1)CN(c2ncccc2C(=O)O)C3CC3 36d6c9c9e831a83ddc0c107f4221db58 [0,0,1,0,0,1|2,0,0]=4 202 B23R3.136090 O=C(O)c1cccnc1N(Cc2cc(ccn2)Br)C3CC3 dfc46ceabb74139dcef8f1107704bc6f [0,0,1,0,0,1|2,0,0]=4 203 B23R3.136090 O=C(O)c1cccnc1N(Cc2cc(ccn2)Cl)C3CC3 1f2daf494bb8a2e46fafdfd1bb4f8625 [0,0,1,0,0,1|2,0,0]=4 204 B23R3.136568 Cc1cccc(c1)N(CC2CC2)c3ncccc3C(=O)O c203f87d428cc212afbff371c001b054 [0,0,1,0,0,1|2,0,0]=4 205 B23R3.17865582 Cc1cccc(c1)N(c2ncccc2C(=O)O)C3CCC3 4ebd932020c33bf44da347592d565dbd [0,0,1,0,0,1|2,0,0]=4 206 B23R3.17865582 NC(=O)c1cccnc1N(c2cccc(c2)O)C3CCC3 4aaf39700eb7cec1d41b8da2a379a3cb [0,0,1,0,0,1|2,0,0]=4 207 B23R4.168444262 O=C1Nc2ccccc2N(c3c1cccc3)CC4CC4 9d9cdb5f10d83f8639a29dca0288f969 [1,0,0,0,0,1|2,0,0]=4 208 B23R4.168444262 O=C1Nc2ccccc2N(c3c1cccn3)CC4CC4 623bc07a6285c31a71146765bc278975 [1,0,0,0,0,1|1,0,0]=3 209 B23R4.168444262 O=C1Nc2cccnc2N(c3c1cccc3)CC4CC4 28defb45fd2e28454c5b91f71b3718b9 [1,0,0,0,0,1|1,0,0]=3 210 B23R4.168444263 O=C1Nc2ccccc2N(c3c1cccn3)C4CCC4 2e0f86693610f5c16cd4e1730972fa36 [1,0,0,0,0,1|1,0,0]=3 211 B23R4.168444263 O=C1Nc2cccnc2N(c3c1cccc3)C4CCC4 0dabac236ef752421cbddf0924aef1e1 [1,0,0,0,0,1|1,0,0]=3