0 B35R5.605086454 CC[C@H](Nc1cccc2c1non2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009820244 [0,0,0,0,0,0|3,0,1]=4 1 B35R5.605086454 CC[C@H](Nc1cccc2n1ncn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009819724 [0,0,0,0,0,0|3,0,1]=4 2 B35R5.605086454 CC[C@H](Nc1cccn2c1ncn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009819722 [0,0,0,0,0,0|3,0,1]=4 3 B35R5.605086454 CC[C@H](Nc1ccnc2c1CCC2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000102697 [0,0,0,0,0,0|3,0,1]=4 4 B35R5.605086454 CC[C@H](Nc1ccnc2c1[nH]nc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000112858 [0,0,0,0,0,0|3,0,1]=4 5 B35R5.605086454 CC[C@H](Nc1ccnc2c1nc[nH]2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009820729 [0,0,0,0,0,0|1,0,0]=1 6 B35R5.605086454 CC[C@H](Nc1ccnc2c1nn[nH]2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009853804 [0,0,0,0,0,0|2,0,0]=2 7 B35R5.605086454 CC[C@H](Nc1ccnc2n1ncc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000080991 [0,0,0,0,0,0|3,0,0]=3 8 B35R5.605086454 CC[C@H](Nc1nc[nH]c-2nccc12)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100015350423 [0,0,0,0,0,0|1,0,2]=3 9 B35R5.605086454 CC[C@H](Nc1nccc2c1[nH]nc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009852419 [0,0,0,0,0,0|3,0,1]=4 10 B35R5.605086454 CC[C@H](Nc1nccc2c1c[nH]n2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100020876377 [0,0,0,0,0,0|3,0,1]=4 11 B35R5.605086454 CC[C@H](Nc1nccn2c1ccc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000094558 [0,0,0,0,0,0|4,0,0]=4 12 B35R5.605086454 CC[C@H](Nc1nccn2c1ccn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009846796 [0,0,0,0,0,0|3,0,1]=4 13 B35R5.605086454 CC[C@H](Nc1nccn2c1ncc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_102495338505 [0,0,0,0,0,0|3,0,0]=3 14 B35R5.605086454 CC[C@H](Nc1nccn2c1ncn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000094309 [0,0,0,0,0,0|2,0,1]=3 15 B35R5.605086454 CC[C@H](Nc1nccn2c1nnc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000757256 [0,0,0,0,0,0|4,0,0]=4 16 B35R5.605086454 CC[C@H](Nc1ncnc2c1CCC2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000750143 [0,0,0,0,0,0|2,0,1]=3 17 B35R5.605086454 CC[C@H](Nc1ncnc2c1CCN2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_200000104052 [0,0,0,0,0,0|1,0,1]=2 18 B35R5.605086454 CC[C@H](Nc1ncnc2c1[nH]cc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000084117 [0,0,0,0,0,0|1,0,1]=2 19 B35R5.605086454 CC[C@H](Nc1ncnc2c1[nH]cn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100011215200 [0,0,0,0,0,0|0,0,2]=2 20 B35R5.605086454 CC[C@H](Nc1ncnc2c1cco2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000094286 [0,0,0,0,0,0|2,0,0]=2 21 B35R5.605086454 CC[C@H](Nc1ncnc2c1cn[nH]2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000735611 [0,0,0,0,0,0|2,0,0]=2 22 B35R5.605086454 CC[C@H](Nc1ncnc2c1ncs2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009860286 [0,0,0,0,0,0|1,0,0]=1 23 B35R5.605086454 CC[C@H](Nc1ncnn2c1ccc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000104113 [0,0,0,0,0,0|3,0,0]=3 24 B36R5.568812764 CC[C@H](Nc1cc(nc2c1cn[nH]2)F)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_103551249018 [0,1,0,0,0,0|3,0,0]=4 25 B36R5.568812764 CC[C@H](Nc1cc(nc2n1ncn2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000195393 [0,1,0,0,0,0|2,0,1]=4 26 B36R5.568812764 CC[C@H](Nc1nc([nH]c-2nccc12)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000068727 [0,1,0,0,0,0|1,0,2]=4 27 B36R5.568812764 CC[C@H](Nc1nc(nc2c1CCC2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100011240833 [0,1,0,0,0,0|2,0,1]=4 28 B36R5.568812764 CC[C@H](Nc1nc(nc2c1[nH]cn2)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000764887 [0,1,0,0,0,0|0,0,2]=3 29 B36R5.568812764 CC[C@H](Nc1nc(nc2c1c[nH]n2)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000068426 [0,1,0,0,0,0|2,0,1]=4 30 B36R5.568812764 CC[C@H](Nc1nc(nc2c1cc[nH]2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000092993 [0,1,0,0,0,0|1,0,0]=2 31 B36R5.568812764 CC[C@H](Nc1nc(nc2c1cn[nH]2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000745003 [0,1,0,0,0,0|2,0,0]=3 32 B36R5.568812764 CC[C@H](Nc1nc(nc2c1nc[nH]2)F)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000061921 [0,1,0,0,0,0|0,0,0]=1 33 B36R5.668026448 CC[C@H](Nc1ccnc2c1ccn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010168893 [0,1,0,0,0,0|2,0,0]=3 34 B36R5.668026448 CC[C@H](Nc1ccnc2c1cnn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100013479686 [0,1,0,0,0,0|3,0,0]=4 35 B36R5.668026448 CC[C@H](Nc1nccc2c1ccn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000048735 [0,1,0,0,0,0|2,0,0]=3 36 B36R5.668026448 CC[C@H](Nc1nccc2c1cnn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100015332818 [0,1,0,0,0,0|3,0,0]=4 37 B36R5.668026448 CC[C@H](Nc1nccc2c1ncn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000075535 [0,1,0,0,0,0|1,0,0]=2 38 B36R5.668026448 CC[C@H](Nc1ncnc2c1ccn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000076352 [0,1,0,0,0,0|1,0,0]=2 39 B36R5.668026448 CC[C@H](Nc1ncnc2c1cnn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000242733 [0,1,0,0,0,0|2,0,0]=3 40 B36R5.668026448 CC[C@H](Nc1ncnc2c1ncn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000058137 [0,1,0,0,0,0|0,0,0]=1 41 B36R5.668060396 CC[C@H](Nc1nccc2c1nn(c2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010890759 [0,1,0,0,0,0|3,0,0]=4 42 B36R5.668060396 CC[C@H](Nc1nccn2c1nc(c2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000098434 [0,1,0,0,0,0|3,0,0]=4 43 B36R5.668060396 CC[C@H](Nc1nccn2c1nc(n2)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009987088 [0,1,0,0,0,0|2,0,1]=4 44 B36R5.668060396 CC[C@H](Nc1ncnc2c1cc([nH]2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009847220 [0,1,0,0,0,0|1,0,0]=2 45 B36R5.668065002 CC[C@H](Nc1ncnc2c1c(c[nH]2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000092391 [0,1,0,0,0,0|1,0,0]=2 46 B36R5.668065002 CC[C@H](Nc1ncnc2c1c(c[nH]2)F)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009880486 [0,1,0,0,0,0|1,0,0]=2 47 B36R5.668065002 CC[C@H](Nc1ncnc2c1n(cc2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009847513 [0,1,0,0,0,0|1,0,1]=3 48 B36R5.668065002 CC[C@H](Nc1ncnc2c1n(cn2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000078800 [0,1,0,0,0,0|0,0,2]=3 49 B36R5.668065002 CC[C@H](Nc1ncnc2c1n(nc2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000098498 [0,1,0,0,0,0|2,0,1]=4 50 B34R4.43668962 CC[C@H](Nc1ncnc(c1C#N)N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000086035 [0,0,1,0,0,0|2,0,0]=3 51 B34R4.43668962 CC[C@H](Nc1ncnc(c1OC)N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011998528 [0,0,1,0,0,0|1,0,1]=3 52 B34R4.539483868 CCNc1cc(ncn1)N[C@@H](CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200000242512 [0,0,1,0,0,0|1,0,1]=3 53 B34R4.539483868 CCOc1cc(ncn1)N[C@@H](CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000765465 [0,0,1,0,0,0|2,0,1]=4 54 B34R4.539483868 CC[C@H](Nc1cc(ncn1)COC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000688101 [0,0,1,0,0,0|3,0,0]=4 55 B34R4.731656076 CC[C@H](Nc1ncnc(c1C)NC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200011913118 [0,0,1,0,0,0|1,0,1]=3 56 B34R4.731656076 CC[C@H](Nc1ncnc(c1C)OC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200011912725 [0,0,1,0,0,0|2,0,1]=4 57 B34R4.731656076 CCc1ncnc(c1F)N[C@@H](CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000685531 [0,0,1,0,0,0|2,0,1]=4 58 B36R5.668038401 CC[C@H](Nc1ccnc2c1nccn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010783457 [0,0,0,0,0,1|1,0,1]=3 59 B36R5.668038401 CC[C@H](Nc1nccc2c1nccn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010063732 [0,0,0,0,0,1|1,0,1]=3 60 B36R5.668038401 CC[C@H](Nc1ncnc2c1CCCC2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100011467579 [0,0,0,0,0,1|2,0,1]=4 61 B36R5.668038401 CC[C@H](Nc1ncnc2c1cccn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000026734 [0,0,0,0,0,1|1,0,1]=3 62 B36R5.668038401 CC[C@H](Nc1ncnc2c1ccnc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000098430 [0,0,0,0,0,1|1,0,1]=3 63 B36R5.668038401 CC[C@H](Nc1ncnc2c1nccc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000063688 [0,0,0,0,0,1|1,0,0]=2 64 B33R4.74227714 CC[C@H](Nc1ncnc(c1C)C)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011438038 [1,0,1,0,0,0|1,0,1]=4 65 B33R4.74227714 CC[C@H](Nc1ncnc(c1C)N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011913465 [1,0,1,0,0,0|0,0,1]=3 66 B33R4.74227714 CC[C@H](Nc1ncnc(c1C)O)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011912821 [1,0,1,0,0,0|1,0,1]=4 67 B33R4.74227714 CC[C@H](Nc1ncnc(c1F)C)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011671633 [1,0,1,0,0,0|1,0,1]=4 68 B33R4.74227714 CC[C@H](Nc1ncnc(c1F)N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000126652 [1,0,1,0,0,0|1,0,0]=3 69 B33R4.98352773 CC[C@H](Nc1ncncc1C#N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000687955 [1,0,1,0,0,0|0,0,2]=4 70 B33R4.98352773 CC[C@H](Nc1ncncc1OC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100012001275 [1,0,1,0,0,0|1,0,1]=4 71 B33R4.98352773 CCc1cncnc1N[C@@H](CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200000100055 [1,0,1,0,0,0|1,0,1]=4 72 B33R4.418801706 CC[C@H](Nc1cc(ncn1)C#N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000092509 [1,0,1,0,0,0|0,0,2]=4 73 B33R4.418801706 CC[C@H](Nc1cc(ncn1)CO)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000731546 [1,0,1,0,0,0|1,0,1]=4 74 B33R4.418801706 CC[C@H](Nc1cc(ncn1)NC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000756605 [1,0,1,0,0,0|0,0,1]=3 75 B33R4.418801706 CC[C@H](Nc1cc(ncn1)NN)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000242035 [1,0,1,0,0,0|0,0,1]=3 76 B33R4.418801706 CC[C@H](Nc1cc(ncn1)OC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000049997 [1,0,1,0,0,0|1,0,1]=4 77 B33R4.418801706 CC[C@H](Nc1cc(ncn1)SC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011443430 [1,0,1,0,0,0|1,0,1]=4 78 B33R4.418801706 CCc1cc(ncn1)N[C@@H](CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000744278 [1,0,1,0,0,0|1,0,1]=4 79 B35R4.194451182 CC[C@H](Nc1nc(nc(c1C#N)N)N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100010978646 [0,1,1,0,0,0|2,0,0]=4 80 B35R4.958240824 CC[C@H](Nc1ncnc(c1C=O)NC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200012279091 [0,1,1,0,0,0|2,0,0]=4 81 B35R4.85006284 CC[C@H](Nc1cc(ncn1)NC(C)C)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200011443281 [0,1,1,0,0,0|1,0,1]=4 82 B35R4.439306246 CC[C@H](Nc1cc(ncn1)N(C)CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200011443306 [0,1,1,0,0,0|1,0,1]=4 83 B35R4.452625411 CCCNc1cc(ncn1)N[C@@H](CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011443280 [0,1,1,0,0,0|1,0,1]=4 84 B35R4.452625411 CC[C@H](Nc1cc(ncn1)NCCO)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200011443279 [0,1,1,0,0,0|1,0,1]=4 85 B35R4.85108795 CC[C@H](Nc1ncnc(c1N)N(C)C)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200000684581 [0,1,1,0,0,0|0,0,2]=4 86 B35R5.689092981 C[C@H](Nc1ncnc2c1ncn2C)c3cc4cccc(c4c(=O)n3c5ccccc5)Cl 27a_100025715812_100000058137 [1,1,0,0,0,0|1,1,0]=4 87 B35R5.689093122 C[C@H](Nc1nc(nc2c1nc[nH]2)F)c3cc4cccc(c4c(=O)n3c5ccccc5)Cl 27a_100025715812_100000061921 [1,1,0,0,0,0|1,1,0]=4 88 B37R5.576506637 CC[C@H](NC(=O)c1cccc2c1nc[nH]2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 240690a_100015191258_100000691283 [0,1,0,0,0,1|2,0,0]=4 89 B37R5.576506637 CC[C@H](NC(=O)c1cccc2c1nc[nH]2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 527a_100015191258_100000691283 [0,1,0,0,0,1|2,0,0]=4 90 B37R5.605959628 CC[C@H](Nc1nc(cc2c1nccc2)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010205410 [0,1,0,0,0,1|2,0,0]=4 91 B37R5.728501092 CC[C@H](Nc1cccc2c1nc[nH]c2=O)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000741247 [0,1,0,0,0,1|2,0,0]=4 92 B37R5.389657514 CC[C@H](Nc1nc(nc2n1ncc2)SC)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010188542 [0,2,0,0,0,0|2,0,0]=4 93 B37R5.997866632 CC[C@H](Nc1nc(cc2c1ncn2C)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000091626 [0,2,0,0,0,0|1,0,0]=3 94 B37R5.997866632 CC[C@H](Nc1nc(nc2c1cnn2C)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000743007 [0,2,0,0,0,0|2,0,0]=4 95 B37R5.997866632 CC[C@H](Nc1nc(nc2c1cnn2C)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000144275 [0,2,0,0,0,0|2,0,0]=4 96 B37R5.997866632 CC[C@H](Nc1nc(nc2c1ncn2C)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000708713 [0,2,0,0,0,0|0,0,0]=2 97 B37R5.800636352 CC[C@H](Nc1c(cnc2c1cc[nH]2)C#N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000097403 [0,2,0,0,0,0|2,0,0]=4 98 B37R5.49264149 CC[C@H](Nc1ncnc2c1ncn2CC)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000058139 [0,2,0,0,0,0|0,0,0]=2 99 B37R5.1112928165 CC[C@H](Nc1ncnc2c1c(c[nH]2)C#N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009847449 [0,2,0,0,0,0|1,0,0]=3 100 B37R5.1112928165 CCc1c[nH]c2c1c(ncn2)N[C@@H](CC)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009876448 [0,2,0,0,0,0|1,0,0]=3 101 B35R5.240907314 CC[C@H](Nc1cc2ncnn2cn1)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000101099 [0,0,1,1,0,0|0,0,2]=4 102 B35R5.240907314 CC[C@H](Nc1ncc2nc[nH]c2n1)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000009038 [0,0,1,1,0,0|2,0,0]=4