0 B15R2.13587 CC(=O)Cn1cnc2c1nc[nH]c2=O 1458a_100009910601_200000210301 [0,0,0,0,0,0|1,0,3]=4 1 B15R2.13587 CC(C)Sc1cnc2n1ncnc2N 62a_100000210206_100010391501 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.13587 CC(C)Sc1cnc2n1ncnc2N 62a_100010391501_100000210206 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.13587 CC(C)Sc1csc2c1ncnc2N 62a_100000210206_100010254332 [0,0,0,0,0,0|4,0,0]=4 4 B15R2.13587 CC(C)Sc1csc2c1ncnc2N 62a_100010254332_100000210206 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.13587 [13CH3]C(=O)Cn1cnc2c1nc[nH]c2=O 1458a_100009910601_200025704644 [0,0,0,0,0,0|1,0,3]=4 6 B14R2.7 CCSc1cnc2n1ncnc2N 62a_100000210202_100010391501 [1,0,0,0,0,0|3,0,0]=4 7 B14R2.7 CCSc1cnc2n1ncnc2N 62a_100010391501_100000210202 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.7 CCSc1csc2c1ncnc2N 62a_100000210202_100010254332 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.7 CCSc1csc2c1ncnc2N 62a_100010254332_100000210202 [1,0,0,0,0,0|3,0,0]=4 10 B14R2.7 OCCn1ncc2c1ncnc2O 271570a_203496583355_100000749131 [1,0,0,0,0,0|3,0,0]=4 11 B16R2.140 CC(CO)Sc1cnc2n1ncnc2N 62a_100012180447_100010391501 [0,1,0,0,0,0|3,0,0]=4 12 B16R2.140 CC(CO)Sc1csc2c1ncnc2N 62a_100012180447_100010254332 [0,1,0,0,0,0|3,0,0]=4 13 B16R2.140 COC(C)Sc1cnc2n1ncnc2N 62a_100009879195_100010391501 [0,1,0,0,0,0|3,0,0]=4 14 B16R2.140 COC(C)Sc1cnc2n1ncnc2N 62a_100010391501_100009879195 [0,1,0,0,0,0|3,0,0]=4 15 B16R2.140 COC(C)Sc1csc2c1ncnc2N 62a_100009879195_100010254332 [0,1,0,0,0,0|3,0,0]=4 16 B16R2.140 COC(C)Sc1csc2c1ncnc2N 62a_100010254332_100009879195 [0,1,0,0,0,0|3,0,0]=4 17 B16R2.140 C[C@H](CO)Sc1cnc2n1ncnc2N 62a_100010391501_100016084084 [0,1,0,0,0,0|3,0,0]=4 18 B16R2.140 C[C@H](CO)Sc1cnc2n1ncnc2N 62a_100016084084_100010391501 [0,1,0,0,0,0|3,0,0]=4 19 B16R2.140 C[C@H](CO)Sc1csc2c1ncnc2N 62a_100010254332_100016084084 [0,1,0,0,0,0|3,0,0]=4 20 B16R2.140 C[C@H](CO)Sc1csc2c1ncnc2N 62a_100016084084_100010254332 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.118 CC(C)CNc1ncnc(c1C#N)N 27a_100000210953_100000086035 [0,0,1,0,0,0|3,0,0]=4 22 B14R1.118 CC(O)CNc1ncnc(c1C#N)N 27a_100000210904_100000086035 [0,0,1,0,0,0|2,0,0]=3 23 B14R1.118 CC(O)CSc1ncnc(c1C#N)N 62a_100011218427_100000086035 [0,0,1,0,0,0|3,0,0]=4 24 B14R1.118 CC(O)CSc1ncnc(c1C=O)N 62a_100000765549_100011218427 [0,0,1,0,0,0|3,0,0]=4 25 B14R1.118 CC(O)CSc1ncnc(c1C=O)N 62a_100011218427_100000765549 [0,0,1,0,0,0|3,0,0]=4 26 B14R1.118 COc1c(ncnc1NCC(C)C)N 27a_100000210953_100011998528 [0,0,1,0,0,0|2,0,1]=4 27 B14R1.118 COc1c(ncnc1NCC(C)O)N 27a_100000210904_100011998528 [0,0,1,0,0,0|1,0,1]=3 28 B14R1.118 COc1c(ncnc1SCC(C)O)N 62a_100011218427_100011998528 [0,0,1,0,0,0|2,0,1]=4 29 B14R1.118 COc1c(ncnc1SCC(C)O)N 62a_100011998528_100011218427 [0,0,1,0,0,0|2,0,1]=4 30 B14R1.118 COc1c(ncnc1SC[C@@H](C)O)N 62a_100009817552_100011998528 [0,0,1,0,0,0|2,0,1]=4 31 B14R1.118 COc1c(ncnc1SC[C@@H](C)O)N 62a_100011998528_100009817552 [0,0,1,0,0,0|2,0,1]=4 32 B14R1.118 C[C@@H](O)CSc1ncnc(c1C#N)N 62a_100009817552_100000086035 [0,0,1,0,0,0|3,0,0]=4 33 B14R1.118 C[C@@H](O)CSc1ncnc(c1C=O)N 62a_100000765549_100009817552 [0,0,1,0,0,0|3,0,0]=4 34 B14R1.118 C[C@@H](O)CSc1ncnc(c1C=O)N 62a_100009817552_100000765549 [0,0,1,0,0,0|3,0,0]=4 35 B14R1.152 CC(C)CN(C)c1ncnc(c1F)N 27a_100000747067_100000126652 [0,0,1,0,0,0|2,0,1]=4 36 B14R1.152 CC(O)CN(C)c1ncnc(c1F)N 27a_100000227577_100000126652 [0,0,1,0,0,0|1,0,1]=3 37 B14R1.152 Cc1c(ncnc1N(C)CC(C)C)N 27a_100000747067_100011913465 [0,0,1,0,0,0|2,0,1]=4 38 B14R1.152 Cc1c(ncnc1N(C)CC(C)O)N 27a_100000227577_100011913465 [0,0,1,0,0,0|1,0,1]=3 39 B14R1.152 Cc1c(ncnc1N(C)CC(C)O)O 27a_100000227577_100011912821 [0,0,1,0,0,0|2,0,1]=4 40 B14R1.152 Cc1ncnc(c1C)N(C)CC(C)O 27a_100000227577_100011438038 [0,0,1,0,0,0|2,0,1]=4 41 B14R1.152 Cc1ncnc(c1F)N(C)CC(C)O 27a_100000227577_100011671633 [0,0,1,0,0,0|2,0,1]=4 42 B14R1.159 CC(O)CCCOc1cncnc1N 7a_100000112926_200000718107 [0,0,1,0,0,0|2,0,1]=4 43 B14R1.159 CC(O)CCCSc1cncnc1N 62a_100011996079_200000718107 [0,0,1,0,0,0|2,0,1]=4 44 B14R1.159 CC(O)CCCSc1cncnc1N 62a_200000718107_100011996079 [0,0,1,0,0,0|2,0,1]=4 45 B14R1.1020 CCN(CC(C)C)c1cc(ncn1)N 27a_100000738554_100000701291 [0,0,1,0,0,0|2,0,1]=4 46 B14R1.1020 CCN(C[C@H](C)O)c1cc(ncn1)C 27a_100000729506_100000744208 [0,0,1,0,0,0|2,0,1]=4 47 B14R1.1020 CCN(C[C@H](C)O)c1cc(ncn1)F 27a_100000729506_200009880791 [0,0,1,0,0,0|2,0,1]=4 48 B14R1.1020 CCN(C[C@H](C)O)c1cc(ncn1)N 27a_100000729506_100000701291 [0,0,1,0,0,0|1,0,1]=3 49 B14R1.1020 CCN(C[C@H](C)O)c1cc(ncn1)O 27a_100000729506_100000765262 [0,0,1,0,0,0|2,0,1]=4 50 B14R1.1020 CCN(C[C@H](C)O)c1ncnc(n1)N 27a_100000729506_100000123831 [0,0,1,0,0,0|2,0,1]=4 51 B14R2.8032 CC(C)n1ccc2c1ncnc2O 271570a_203496583355_100010282261 [0,0,0,0,1,0|3,0,0]=4 52 B14R2.8032 CC(C)n1cnc2c1ncnc2O 271570a_203496583355_100000085902 [0,0,0,0,1,0|2,0,0]=3 53 B16R2.22833 CC(C)CSc1cnc2n1ncnc2N 62a_100000210624_100010391501 [0,0,0,0,0,1|3,0,0]=4 54 B16R2.22833 CC(C)CSc1cnc2n1ncnc2N 62a_100010391501_100000210760 [0,0,0,0,0,1|3,0,0]=4 55 B16R2.22833 CC(C)CSc1csc2c1ncnc2N 62a_100000210624_100010254332 [0,0,0,0,0,1|3,0,0]=4 56 B16R2.22833 CC(C)CSc1csc2c1ncnc2N 62a_100010254332_100000210760 [0,0,0,0,0,1|3,0,0]=4 57 B16R2.22833 CC(O)C=Cc1cnc2n1ncnc2N 271570a_200011019289_100010391501 [0,0,0,0,0,1|2,0,1]=4 58 B16R2.22833 CC(O)C=Cc1csc2c1ncnc2N 271570a_200011019289_100010254332 [0,0,0,0,0,1|2,0,1]=4 59 B16R2.22833 CC(O)CSc1c[nH]c2c1ncnc2Cl 62a_100011218427_100010988924 [0,0,0,0,0,1|2,0,1]=4 60 B16R2.22833 CC(O)CSc1ccc2n1ncnc2N 62a_100010200936_100011218427 [0,0,0,0,0,1|3,0,0]=4 61 B16R2.22833 CC(O)CSc1cnc2n1ccnc2N 62a_100010204652_100011218427 [0,0,0,0,0,1|3,0,0]=4 62 B16R2.22833 CC(O)CSc1cnc2n1ccnc2N 62a_100011218427_100010204652 [0,0,0,0,0,1|3,0,0]=4 63 B16R2.22833 CC(O)CSc1cnc2n1ncnc2N 62a_100010391501_100011218427 [0,0,0,0,0,1|2,0,0]=3 64 B16R2.22833 CC(O)CSc1cnc2n1ncnc2N 62a_100011218427_100010391501 [0,0,0,0,0,1|2,0,0]=3 65 B16R2.22833 CC(O)CSc1csc2c1ncnc2N 62a_100010254332_100011218427 [0,0,0,0,0,1|2,0,0]=3 66 B16R2.22833 CC(O)CSc1csc2c1ncnc2N 62a_100011218427_100010254332 [0,0,0,0,0,1|2,0,0]=3 67 B16R2.22833 CC(O)CSc1csc2c1ncnc2O 62a_100011218427_100010075196 [0,0,0,0,0,1|3,0,0]=4 68 B16R2.22833 C[C@@H](O)CSc1c[nH]c2c1ncnc2Cl 62a_100009817552_100010988924 [0,0,0,0,0,1|2,0,1]=4 69 B16R2.22833 C[C@@H](O)CSc1ccc2n1ncnc2N 62a_100010200936_100009817552 [0,0,0,0,0,1|3,0,0]=4 70 B16R2.22833 C[C@@H](O)CSc1cnc2n1ccnc2N 62a_100009817552_100010204652 [0,0,0,0,0,1|3,0,0]=4 71 B16R2.22833 C[C@@H](O)CSc1cnc2n1ccnc2N 62a_100010204652_100009817552 [0,0,0,0,0,1|3,0,0]=4 72 B16R2.22833 C[C@@H](O)CSc1cnc2n1ncnc2N 62a_100009817552_100010391501 [0,0,0,0,0,1|2,0,0]=3 73 B16R2.22833 C[C@@H](O)CSc1cnc2n1ncnc2N 62a_100010391501_100009817552 [0,0,0,0,0,1|2,0,0]=3 74 B16R2.22833 C[C@@H](O)CSc1csc2c1ncnc2N 62a_100009817552_100010254332 [0,0,0,0,0,1|2,0,0]=3 75 B16R2.22833 C[C@@H](O)CSc1csc2c1ncnc2N 62a_100010254332_100009817552 [0,0,0,0,0,1|2,0,0]=3 76 B16R2.22833 C[C@@H](O)CSc1csc2c1ncnc2O 62a_100009817552_100010075196 [0,0,0,0,0,1|3,0,0]=4 77 B13R1.90 CC(O)CNc1ncncc1C#N 27a_100000210904_100000687955 [1,0,1,0,0,0|2,0,0]=4 78 B13R1.90 CCc1cncnc1NCC(C)O 27a_100000210904_200000100055 [1,0,1,0,0,0|1,0,1]=4 79 B13R1.90 COc1cncnc1NCC(C)O 27a_100000210904_100012001275 [1,0,1,0,0,0|1,0,1]=4 80 B13R1.150 CC(C)CNc1ncnc(c1F)N 27a_100000210953_100000126652 [1,0,1,0,0,0|2,0,0]=4 81 B13R1.150 CC(O)CNc1ncnc(c1F)N 27a_100000210904_100000126652 [1,0,1,0,0,0|1,0,0]=3 82 B13R1.150 CC(O)CSc1ncnc(c1F)N 62a_100000126652_100011218427 [1,0,1,0,0,0|2,0,0]=4 83 B13R1.150 CC(O)CSc1ncnc(c1F)N 62a_100011218427_100000126652 [1,0,1,0,0,0|2,0,0]=4 84 B13R1.150 CC(O)CSc1ncnc(c1N)N 62a_100000766367_100011218427 [1,0,1,0,0,0|1,0,1]=4 85 B13R1.150 CC(O)CSc1ncnc(c1N)N 62a_100011218427_100000766367 [1,0,1,0,0,0|1,0,1]=4 86 B13R1.150 CC(O)CSc1ncnc(c1O)N 62a_100011218427_100000124137 [1,0,1,0,0,0|2,0,0]=4 87 B13R1.150 C[C@@H](O)CSc1ncnc(c1F)N 62a_100000126652_100009817552 [1,0,1,0,0,0|2,0,0]=4 88 B13R1.150 C[C@@H](O)CSc1ncnc(c1F)N 62a_100009817552_100000126652 [1,0,1,0,0,0|2,0,0]=4 89 B13R1.150 C[C@@H](O)CSc1ncnc(c1N)N 62a_100000766367_100009817552 [1,0,1,0,0,0|1,0,1]=4 90 B13R1.150 C[C@@H](O)CSc1ncnc(c1N)N 62a_100009817552_100000766367 [1,0,1,0,0,0|1,0,1]=4 91 B13R1.150 C[C@@H](O)CSc1ncnc(c1O)N 62a_100009817552_100000124137 [1,0,1,0,0,0|2,0,0]=4 92 B13R1.150 Cc1c(ncnc1NCC(C)C)N 27a_100000210953_100011913465 [1,0,1,0,0,0|1,0,1]=4 93 B13R1.150 Cc1c(ncnc1NCC(C)O)N 27a_100000210904_100011913465 [1,0,1,0,0,0|0,0,1]=3 94 B13R1.150 Cc1c(ncnc1NCC(C)O)O 27a_100000210904_100011912821 [1,0,1,0,0,0|1,0,1]=4 95 B13R1.150 Cc1c(ncnc1SCC(C)O)N 62a_100011218427_100011913465 [1,0,1,0,0,0|1,0,1]=4 96 B13R1.150 Cc1c(ncnc1SCC(C)O)N 62a_100011913465_100011218427 [1,0,1,0,0,0|1,0,1]=4 97 B13R1.150 Cc1c(ncnc1SC[C@@H](C)O)N 62a_100009817552_100011913465 [1,0,1,0,0,0|1,0,1]=4 98 B13R1.150 Cc1c(ncnc1SC[C@@H](C)O)N 62a_100011913465_100009817552 [1,0,1,0,0,0|1,0,1]=4 99 B13R1.150 Cc1ncnc(c1C)NCC(C)O 27a_100000210904_100011438038 [1,0,1,0,0,0|1,0,1]=4 100 B13R1.150 Cc1ncnc(c1F)NCC(C)O 27a_100000210904_100011671633 [1,0,1,0,0,0|2,0,0]=4 101 B13R1.3516 COc1c(ncnc1NCCO)N 27a_100000210304_100011998528 [1,0,1,0,0,0|1,0,1]=4 102 B13R1.3516 N#Cc1c(ncnc1NCCO)N 27a_100000210304_100000086035 [1,0,1,0,0,0|2,0,0]=4 103 B13R1.12 CCCN(C)c1ncnc(c1C)N 27a_100000747261_100011913465 [1,0,1,0,0,0|1,0,1]=4 104 B13R1.12 CCCN(C)c1ncnc(c1F)N 27a_100000747261_100000126652 [1,0,1,0,0,0|1,0,1]=4 105 B13R1.12 CN(CCO)c1ncnc(c1F)N 27a_100000210263_100000126652 [1,0,1,0,0,0|1,0,1]=4 106 B13R1.12 Cc1c(ncnc1N(C)CCO)N 27a_100000210263_100011913465 [1,0,1,0,0,0|1,0,1]=4 107 B13R1.147 CC(C)CN(C)c1cc(ncn1)N 27a_100000747067_100000701291 [1,0,1,0,0,0|1,0,1]=4 108 B13R1.147 CC(O)CN(C)c1cc(ncn1)F 27a_100000227577_200009880791 [1,0,1,0,0,0|1,0,1]=4 109 B13R1.147 CC(O)CN(C)c1cc(ncn1)N 27a_100000227577_100000701291 [1,0,1,0,0,0|0,0,1]=3 110 B13R1.147 CC(O)CN(C)c1cc(ncn1)O 27a_100000227577_100000765262 [1,0,1,0,0,0|1,0,1]=4 111 B13R1.147 CC(O)CN(C)c1ncnc(n1)N 27a_100000227577_100000123831 [1,0,1,0,0,0|1,0,1]=4 112 B13R1.147 Cc1cc(ncn1)N(C)CC(C)O 27a_100000227577_100000744208 [1,0,1,0,0,0|1,0,1]=4 113 B13R1.201 CC(O)CN(C)c1ncncc1F 27a_100000227577_100000069762 [1,0,1,0,0,0|1,0,1]=4 114 B13R1.201 CC(O)CN(C)c1ncncc1N 27a_100000227577_100000709731 [1,0,1,0,0,0|0,0,2]=4 115 B13R1.201 Cc1cncnc1N(C)CC(C)O 27a_100000227577_100011998708 [1,0,1,0,0,0|1,0,1]=4 116 B13R1.337 CC(O)CNN=Cc1cncnc1 4a_200000730056_100000749868 [1,0,1,0,0,0|2,0,0]=4 117 B13R1.555 CCCCC=Cc1cncnc1N 271570a_100016275911_100011996079 [1,0,1,0,0,0|2,0,0]=4 118 B13R1.2 CCCN(CC)c1cc(ncn1)N 27a_100000226822_100000701291 [1,0,1,0,0,0|1,0,1]=4 119 B13R1.2 CCN(CCO)c1cc(ncn1)N 27a_100000210973_100000701291 [1,0,1,0,0,0|1,0,1]=4 120 B13R1.713 CCN(C[C@H](C)O)c1ccncn1 27a_100000729506_100000703185 [1,0,1,0,0,0|1,0,1]=4 121 B13R2.9 CCn1cnc2c1ncnc2O 271570a_203496583355_100000058139 [2,0,0,0,0,0|1,0,0]=3 122 B15R1.1579 CNc1ncnc(c1C=O)NCC(C)O 27a_100000210904_200012279091 [0,1,1,0,0,0|2,0,0]=4 123 B15R1.4803 CC(C)(O)CNc1ncnc(c1C#N)N 27a_100000751335_100000086035 [0,1,1,0,0,0|2,0,0]=4 124 B15R1.4803 COc1c(ncnc1NCC(C)(C)O)N 27a_100000751335_100011998528 [0,1,1,0,0,0|1,0,1]=4 125 B15R1.4804 CC(CO)CNc1ncnc(c1C#N)N 27a_100000744482_100000086035 [0,1,1,0,0,0|2,0,0]=4 126 B15R1.4804 CCC(O)CNc1ncnc(c1C#N)N 27a_100011218483_100000086035 [0,1,1,0,0,0|2,0,0]=4 127 B15R1.4804 CCC(O)CNc1ncnc(c1OC)N 27a_100011218483_100011998528 [0,1,1,0,0,0|1,0,1]=4 128 B15R1.4804 CO[C@H](C)CNc1ncnc(c1C#N)N 27a_100020591295_100000086035 [0,1,1,0,0,0|2,0,0]=4 129 B15R1.4804 COc1c(ncnc1NCC(C)CO)N 27a_100000744482_100011998528 [0,1,1,0,0,0|1,0,1]=4 130 B15R1.4804 COc1c(ncnc1NC[C@@H](C)OC)N 27a_100020591295_100011998528 [0,1,1,0,0,0|1,0,1]=4 131 B15R1.4804 COc1c(ncnc1NC[C@H](O)CO)N 27a_100020644852_100011998528 [0,1,1,0,0,0|1,0,1]=4 132 B15R1.4804 N#Cc1c(ncnc1NC[C@H](O)CO)N 27a_100020644852_100000086035 [0,1,1,0,0,0|2,0,0]=4 133 B15R1.4809 CC(O)CN(C)c1ncnc(c1C#N)N 27a_100000227577_100000086035 [0,1,1,0,0,0|2,0,0]=4 134 B15R1.4809 COc1c(ncnc1N(C)CC(C)O)N 27a_100000227577_100011998528 [0,1,1,0,0,0|1,0,1]=4 135 B15R1.4935 CC(O)CNc1nc(nc(c1C#N)N)N 27a_100000210904_100010978646 [0,1,1,0,0,0|2,0,0]=4 136 B15R1.10 CN(CC(O)CO)c1ncnc(c1F)N 27a_100011216503_100000126652 [0,1,1,0,0,0|1,0,1]=4 137 B15R1.10 Cc1c(ncnc1N(C)CC(O)CO)N 27a_100011216503_100011913465 [0,1,1,0,0,0|1,0,1]=4 138 B15R1.68 CNc1ncnc(c1C)N(C)CC(C)O 27a_100000227577_200011913118 [0,1,1,0,0,0|1,0,1]=4 139 B15R1.1360 CCN(C[C@H](C)O)c1ncnc(c1C)N 27a_100000729506_100011913465 [0,1,1,0,0,0|1,0,1]=4 140 B15R1.1360 CCN(C[C@H](C)O)c1ncnc(c1F)N 27a_100000729506_100000126652 [0,1,1,0,0,0|1,0,1]=4 141 B15R1.3555 Cc1nc(c(c(n1)N(C)CC(C)O)C)N 27a_100000227577_200000700166 [0,1,1,0,0,0|1,0,1]=4 142 B15R1.3555 Cc1nc(c(c(n1)N(C)CC(C)O)F)N 27a_100000227577_100000117604 [0,1,1,0,0,0|1,0,1]=4 143 B15R1.8318 CN(CC(C)(C)O)c1ncnc(c1F)N 27a_100000755907_100000126652 [0,1,1,0,0,0|1,0,1]=4 144 B15R1.8318 Cc1c(ncnc1N(C)CC(C)(C)O)N 27a_100000755907_100011913465 [0,1,1,0,0,0|1,0,1]=4 145 B15R1.62 CCN(C[C@H](C)O)c1cc(ncn1)NC 27a_100000729506_100000756605 [0,1,1,0,0,0|1,0,1]=4 146 B15R1.62 CCN(C[C@H](C)O)c1cc(ncn1)NN 27a_100000729506_100000242035 [0,1,1,0,0,0|1,0,1]=4 147 B15R1.626 CC(O)CN(CCO)c1cc(ncn1)N 27a_100000731851_100000701291 [0,1,1,0,0,0|1,0,1]=4 148 B15R1.666 CCN(CC(C)(C)O)c1cc(ncn1)N 27a_100000755687_100000701291 [0,1,1,0,0,0|1,0,1]=4 149 B15R1.3122 CCN(C[C@H](C)O)c1cc(nc(n1)C)N 27a_100000729506_100000761517 [0,1,1,0,0,0|1,0,1]=4 150 B15R1.3827 CCC(O)CN(CC)c1cc(ncn1)N 27a_100011365200_100000701291 [0,1,1,0,0,0|1,0,1]=4 151 B15R2.12 CNc1ncnc2c1cnn2CCO 27a_100102657272_100000749131 [1,1,0,0,0,0|2,0,0]=4 152 B15R2.65 CCCCc1cnc2n1ncnc2N 271570a_100020621405_100010391501 [1,1,0,0,0,0|2,0,0]=4 153 B15R2.65 CCCCc1csc2c1ncnc2N 271570a_100020621405_100010254332 [1,1,0,0,0,0|2,0,0]=4 154 B15R2.65 CCCCn1cnc2c1ncnc2O 271570a_203496583355_200010365793 [1,1,0,0,0,0|1,0,0]=3 155 B15R2.65 CCCSc1cnc2n1ncnc2N 62a_100000210303_100010391501 [1,1,0,0,0,0|2,0,0]=4 156 B15R2.65 CCCSc1cnc2n1ncnc2N 62a_100010391501_100000210303 [1,1,0,0,0,0|2,0,0]=4 157 B15R2.65 CCCSc1csc2c1ncnc2N 62a_100000210303_100010254332 [1,1,0,0,0,0|2,0,0]=4 158 B15R2.65 CCCSc1csc2c1ncnc2N 62a_100010254332_100000210303 [1,1,0,0,0,0|2,0,0]=4 159 B15R2.65 Nc1ncnc2c1scc2SCCO 62a_100000211926_100010254332 [1,1,0,0,0,0|2,0,0]=4 160 B15R2.65 Nc1ncnc2c1scc2SCCO 62a_100010254332_100000211926 [1,1,0,0,0,0|2,0,0]=4 161 B15R2.65 Nc1ncnn2c1ncc2SCCO 62a_100000211926_100010391501 [1,1,0,0,0,0|2,0,0]=4 162 B15R2.65 Nc1ncnn2c1ncc2SCCO 62a_100010391501_100000211926 [1,1,0,0,0,0|2,0,0]=4 163 B15R2.20917 C=Cc1ncnc2c1ncn2C(C)C 271570a_100011290941_100000085902 [0,1,0,0,1,0|2,0,0]=4 164 B15R2.20917 CC(C)n1cnc2c1ncnc2S[13CH3] 62a_200025704644_100000085902 [0,1,0,0,1,0|2,0,0]=4 165 B15R2.20917 CNc1ncnc2c1ccn2C(C)C 27a_100102657272_100010282261 [0,1,0,0,1,0|2,0,0]=4 166 B15R2.20917 CNc1ncnc2c1ncn2C(C)C 27a_100102657272_100000085902 [0,1,0,0,1,0|1,0,0]=3 167 B15R2.20917 CSc1ncnc2c1ncn2C(C)C 62a_200000210301_100000085902 [0,1,0,0,1,0|2,0,0]=4 168 B17R2.2442 CCC(O)CSc1cnc2n1ncnc2N 62a_100010391501_100011218378 [0,1,0,0,0,1|2,0,0]=4 169 B17R2.2442 CCC(O)CSc1cnc2n1ncnc2N 62a_100011218378_100010391501 [0,1,0,0,0,1|2,0,0]=4 170 B17R2.2442 CCC(O)CSc1csc2c1ncnc2N 62a_100010254332_100011218378 [0,1,0,0,0,1|2,0,0]=4 171 B17R2.2442 CCC(O)CSc1csc2c1ncnc2N 62a_100011218378_100010254332 [0,1,0,0,0,1|2,0,0]=4 172 B17R2.2442 C[C@@H](CO)CSc1cnc2n1ncnc2N 62a_100000059175_100010391501 [0,1,0,0,0,1|2,0,0]=4 173 B17R2.2442 C[C@@H](CO)CSc1cnc2n1ncnc2N 62a_100010391501_100000059175 [0,1,0,0,0,1|2,0,0]=4 174 B17R2.2442 C[C@@H](CO)CSc1csc2c1ncnc2N 62a_100000059175_100010254332 [0,1,0,0,0,1|2,0,0]=4 175 B17R2.2442 C[C@@H](CO)CSc1csc2c1ncnc2N 62a_100010254332_100000059175 [0,1,0,0,0,1|2,0,0]=4 176 B17R2.2442 Nc1ncnc2c1scc2SCC(O)CO 62a_100010254332_100011219619 [0,1,0,0,0,1|2,0,0]=4 177 B17R2.2442 Nc1ncnc2c1scc2SCC(O)CO 62a_100011219619_100010254332 [0,1,0,0,0,1|2,0,0]=4 178 B17R2.2442 Nc1ncnc2c1scc2SC[C@@H](O)CF 62a_100010254332_100015614560 [0,1,0,0,0,1|2,0,0]=4 179 B17R2.2442 Nc1ncnc2c1scc2SC[C@@H](O)CF 62a_100015614560_100010254332 [0,1,0,0,0,1|2,0,0]=4 180 B17R2.2442 Nc1ncnc2c1scc2SC[C@@H](O)CO 62a_100009815848_100010254332 [0,1,0,0,0,1|2,0,0]=4 181 B17R2.2442 Nc1ncnc2c1scc2SC[C@@H](O)CO 62a_100010254332_100009815848 [0,1,0,0,0,1|2,0,0]=4 182 B17R2.2442 Nc1ncnn2c1ncc2SCC(O)CO 62a_100010391501_100011219619 [0,1,0,0,0,1|2,0,0]=4 183 B17R2.2442 Nc1ncnn2c1ncc2SCC(O)CO 62a_100011219619_100010391501 [0,1,0,0,0,1|2,0,0]=4 184 B17R2.2442 Nc1ncnn2c1ncc2SC[C@@H](O)CF 62a_100010391501_100015614560 [0,1,0,0,0,1|2,0,0]=4 185 B17R2.2442 Nc1ncnn2c1ncc2SC[C@@H](O)CF 62a_100015614560_100010391501 [0,1,0,0,0,1|2,0,0]=4 186 B17R2.2442 Nc1ncnn2c1ncc2SC[C@@H](O)CO 62a_100009815848_100010391501 [0,1,0,0,0,1|2,0,0]=4 187 B17R2.2442 Nc1ncnn2c1ncc2SC[C@@H](O)CO 62a_100010391501_100009815848 [0,1,0,0,0,1|2,0,0]=4 188 B17R2.37439 CC(C)(O)CSc1cnc2n1ncnc2N 62a_100000764493_100010391501 [0,1,0,0,0,1|2,0,0]=4 189 B17R2.37439 CC(C)(O)CSc1cnc2n1ncnc2N 62a_100010391501_100000764493 [0,1,0,0,0,1|2,0,0]=4 190 B17R2.37439 CC(C)(O)CSc1csc2c1ncnc2N 62a_100000764493_100010254332 [0,1,0,0,0,1|2,0,0]=4 191 B17R2.37439 CC(C)(O)CSc1csc2c1ncnc2N 62a_100010254332_100000764493 [0,1,0,0,0,1|2,0,0]=4 192 B15R2.19753 CC(C)CNc1ccnc2c1nc[nH]2 27a_100000210953_100009820729 [0,0,1,1,0,0|2,0,0]=4 193 B15R2.19753 CC(C)CNc1ncnc2c1ncs2 27a_100000210953_100009860286 [0,0,1,1,0,0|2,0,0]=4 194 B15R2.19753 CC(O)CNc1ccnc2c1nc[nH]2 27a_100000210904_100009820729 [0,0,1,1,0,0|1,0,0]=3 195 B15R2.19753 CC(O)CNc1ccnc2c1nn[nH]2 27a_100000210904_100009853804 [0,0,1,1,0,0|2,0,0]=4 196 B15R2.19753 CC(O)CNc1ncnc2c1CCN2 27a_100000210904_200000104052 [0,0,1,1,0,0|1,0,1]=4 197 B15R2.19753 CC(O)CNc1ncnc2c1[nH]cc2 27a_100000210904_100000084117 [0,0,1,1,0,0|1,0,1]=4 198 B15R2.19753 CC(O)CNc1ncnc2c1[nH]cn2 27a_100000210904_100011215200 [0,0,1,1,0,0|0,0,2]=4 199 B15R2.19753 CC(O)CNc1ncnc2c1cco2 27a_100000210904_100000094286 [0,0,1,1,0,0|2,0,0]=4 200 B15R2.19753 CC(O)CNc1ncnc2c1ccs2 27a_100000210904_100000183654 [0,0,1,1,0,0|2,0,0]=4 201 B15R2.19753 CC(O)CNc1ncnc2c1cn[nH]2 27a_100000210904_100000735611 [0,0,1,1,0,0|2,0,0]=4 202 B15R2.19753 CC(O)CNc1ncnc2c1ncs2 27a_100000210904_100009860286 [0,0,1,1,0,0|1,0,0]=3 203 B15R2.19753 CC(O)CNc1ncnc2c1scc2 27a_100000210904_100000234879 [0,0,1,1,0,0|2,0,0]=4 204 B15R2.19753 CC(O)CSc1ccnc2c1nc[nH]2 62a_100011218427_100009820729 [0,0,1,1,0,0|2,0,0]=4 205 B15R2.19753 CC(O)CSc1nccc2c1nc[nH]2 62a_100011218427_100009820035 [0,0,1,1,0,0|2,0,0]=4 206 B15R2.19753 CC(O)CSc1ncnc2c1ncs2 62a_100011218427_100009860286 [0,0,1,1,0,0|2,0,0]=4 207 B15R2.19753 C[C@@H](O)CSc1ccnc2c1nc[nH]2 62a_100009817552_100009820729 [0,0,1,1,0,0|2,0,0]=4 208 B15R2.19753 C[C@@H](O)CSc1nccc2c1nc[nH]2 62a_100009817552_100009820035 [0,0,1,1,0,0|2,0,0]=4 209 B15R2.19753 C[C@@H](O)CSc1ncnc2c1ncs2 62a_100009817552_100009860286 [0,0,1,1,0,0|2,0,0]=4 210 B15R2.36417 COc1c(ncnc1N2CC(C2)O)N 27a_100000749847_100011998528 [0,0,1,1,0,0|1,0,1]=4 211 B15R2.36417 N#Cc1c(ncnc1N2CC(C2)O)N 27a_100000749847_100000086035 [0,0,1,1,0,0|2,0,0]=4 212 B15R2.303 Cc1c(ncnc1N2CCC(C2)O)N 27a_100011215560_100011913465 [0,0,1,1,0,0|1,0,1]=4 213 B15R2.303 Nc1ncnc(c1F)N2CCC(C2)O 27a_100011215560_100000126652 [0,0,1,1,0,0|1,0,1]=4 214 B15R2.7157 CC1(CN(C1)c2ncnc(c2F)N)O 27a_100000718560_100000126652 [0,0,1,1,0,0|1,0,1]=4 215 B15R2.7157 Cc1c(ncnc1N2CC(C2)(C)O)N 27a_100000718560_100011913465 [0,0,1,1,0,0|1,0,1]=4 216 B15R2.1660 CC(O)CNc1nc2ccccc2[nH]1 27a_100000210904_100009814255 [0,0,1,1,0,0|2,0,0]=4 217 B15R2.1660 CC(O)CNc1nc2cccnc2s1 27a_100000210904_100010188088 [0,0,1,1,0,0|2,0,0]=4 218 B15R2.30 CC1CN(CCO1)c2cc(ncn2)N 27a_100000729577_100000701291 [0,0,1,1,0,0|1,0,1]=4 219 B15R2.30 Nc1cc(ncn1)N2CCCC(C2)O 27a_100000211013_100000701291 [0,0,1,1,0,0|1,0,1]=4 220 B15R2.65026 CC1(CCN(C1)c2cc(ncn2)N)O 27a_100000718628_100000701291 [0,0,1,1,0,0|1,0,1]=4 221 B15R3.15451 Nc1ncnc2c1scc2C3CC3 271570a_100011220607_100010254332 [1,0,0,1,0,0|2,0,0]=4 222 B15R3.15451 Nc1ncnn2c1ncc2C3CC3 271570a_100011220607_100010391501 [1,0,0,1,0,0|2,0,0]=4 223 B17R3.4452 Nc1ncnc2c1scc2SCC3CO3 62a_100010254332_102125554688 [0,0,0,1,0,1|2,0,0]=4 224 B17R3.4452 Nc1ncnc2c1scc2SCC3CO3 62a_102125554688_100010254332 [0,0,0,1,0,1|2,0,0]=4 225 B17R3.4452 Nc1ncnc2c1scc2SC[C@@H]3CO3 62a_100000745022_100010254332 [0,0,0,1,0,1|2,0,0]=4 226 B17R3.4452 Nc1ncnc2c1scc2SC[C@@H]3CO3 62a_100010254332_100000745022 [0,0,0,1,0,1|2,0,0]=4 227 B17R3.4452 Nc1ncnn2c1ncc2SCC3CO3 62a_100010391501_102125554688 [0,0,0,1,0,1|2,0,0]=4 228 B17R3.4452 Nc1ncnn2c1ncc2SCC3CO3 62a_102125554688_100010391501 [0,0,0,1,0,1|2,0,0]=4 229 B17R3.4452 Nc1ncnn2c1ncc2SC[C@@H]3CO3 62a_100000745022_100010391501 [0,0,0,1,0,1|2,0,0]=4 230 B17R3.4452 Nc1ncnn2c1ncc2SC[C@@H]3CO3 62a_100010391501_100000745022 [0,0,0,1,0,1|2,0,0]=4 231 B13R1.158 CC(C)CC=Cc1cncnc1N 271570a_100016259101_100011996079 [0,0,1,0,1,0|2,0,0]=4 232 B13R1.158 CC(O)CCOc1cncnc1N 7a_100000112926_100012276601 [0,0,1,0,1,0|1,0,1]=4 233 B13R1.158 CC(O)CCSc1cncnc1N 62a_100011996079_100012276601 [0,0,1,0,1,0|1,0,1]=4 234 B13R1.158 CC(O)CCSc1cncnc1N 62a_100012276601_100011996079 [0,0,1,0,1,0|1,0,1]=4 235 B15R1.4802 CC(O)CCNc1ncnc(c1C#N)N 27a_200000755665_100000086035 [0,0,1,0,0,1|2,0,0]=4 236 B15R1.4802 COc1c(ncnc1NCCC(C)O)N 27a_200000755665_100011998528 [0,0,1,0,0,1|1,0,1]=4 237 B17R2.37440 CC(O)CCSc1cnc2n1ncnc2N 62a_100010391501_100012276601 [0,0,0,0,0,2|2,0,0]=4 238 B17R2.37440 CC(O)CCSc1cnc2n1ncnc2N 62a_100012276601_100010391501 [0,0,0,0,0,2|2,0,0]=4 239 B17R2.37440 CC(O)CCSc1csc2c1ncnc2N 62a_100010254332_100012276601 [0,0,0,0,0,2|2,0,0]=4 240 B17R2.37440 CC(O)CCSc1csc2c1ncnc2N 62a_100012276601_100010254332 [0,0,0,0,0,2|2,0,0]=4 241 B17R2.37485 CC(O)CNc1ccc2c(ncnc2c1)N 27a_100000210904_100010199758 [0,0,0,0,0,2|2,0,0]=4 242 B17R2.37485 CC(O)CSc1ccc2c(ncnc2c1)N 62a_100010199758_100011218427 [0,0,0,0,0,2|2,0,0]=4 243 B17R2.37485 CC(O)CSc1ccc2c(ncnc2c1)N 62a_100011218427_100010199758 [0,0,0,0,0,2|2,0,0]=4 244 B17R2.37485 C[C@@H](O)CSc1ccc2c(ncnc2c1)N 62a_100009817552_100010199758 [0,0,0,0,0,2|2,0,0]=4 245 B17R2.37485 C[C@@H](O)CSc1ccc2c(ncnc2c1)N 62a_100010199758_100009817552 [0,0,0,0,0,2|2,0,0]=4 246 B17R2.37520 CC(O)CNc1cccc2c1ncnc2N 27a_100000210904_100010199759 [0,0,0,0,0,2|2,0,0]=4 247 B17R2.37520 CC(O)CSc1cccc2c1ncnc2N 62a_100010199759_100011218427 [0,0,0,0,0,2|2,0,0]=4 248 B17R2.37520 CC(O)CSc1cccc2c1ncnc2N 62a_100011218427_100010199759 [0,0,0,0,0,2|2,0,0]=4 249 B17R2.37520 C[C@@H](O)CSc1cccc2c1ncnc2N 62a_100009817552_100010199759 [0,0,0,0,0,2|2,0,0]=4 250 B17R2.37520 C[C@@H](O)CSc1cccc2c1ncnc2N 62a_100010199759_100009817552 [0,0,0,0,0,2|2,0,0]=4