0 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.53 C=C(C)c1cccnc1C#N 271570a_100000694244_100000685805 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.53 C=C(C)c1cccnc1C=O 271570a_100000694244_100011934733 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.53 C=C(C)c1cccnc1CN 271570a_100000694244_100020591323 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.53 C=C(C)c1cccnc1CO 271570a_100000694244_100011996772 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.53 C=C(C)c1cccnc1NN 271570a_100000694244_100011464834 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.53 C=C(C)c1cccnc1SC 271570a_100000694244_100011465278 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.53 C=C(C)c1ccncc1CC 271570a_100000694244_100025704421 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.53 C=C(C)c1cnccc1CC 271570a_100000694244_100009819861 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.53 C=C(C)c1cncnc1CC 271570a_100000694244_100009816992 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.53 C=C(C)c1cncnc1NC 271570a_100000694244_200012180720 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.53 C=C(C)c1cncnc1OC 271570a_100000694244_100000719902 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.53 C=C(C)c1ncccc1C#N 271570a_100000694244_100000211984 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.53 C=C(C)c1ncccc1C=O 271570a_100000694244_100009816751 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.53 C=C(C)c1ncccc1CN 271570a_100000694244_100015189234 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.53 C=C(C)c1nccnc1C#N 271570a_100000694244_100000040484 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [0,0,0,0,0,0|1,0,0]=1 32 B11R1.53 C=C(C)c1nccnc1CN 271570a_100000694244_100000729963 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.53 C=C(C)c1nccnc1CO 271570a_100000694244_100000057004 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.53 C=C(C)c1nccnc1NC 271570a_100000694244_100011529439 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.53 C=C(C)c1nccnc1NN 271570a_100000694244_100000755098 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.53 C=C(C)c1ncncc1CC 271570a_100000694244_200000100055 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.53 C=C(C)c1ncncc1OC 271570a_100000694244_100012001275 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,0,0,0,0,0|2,0,2]=4 40 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,0,0,0,0,0|2,0,2]=4 41 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,0,0,0,0,0|2,0,2]=4 42 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,0,0,0,0,0|1,0,2]=3 43 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,0,0,0,0,0|2,0,2]=4 44 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,0,0,0,0,0|1,0,2]=3 45 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [0,0,0,0,0,0|2,0,2]=4 46 B11R1.53 C=Cc1nccnc1C(=O)C 271570a_100011290941_100000099859 [0,0,0,0,0,0|0,0,2]=2 47 B11R1.53 C=Cc1nccnc1C(=O)N 271570a_100011290941_100000094861 [0,0,0,0,0,0|1,0,2]=3 48 B11R1.53 C=Cc1nccnc1N(C)C 271570a_100011290941_100000703087 [0,0,0,0,0,0|2,0,2]=4 49 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,0,0,0,0,0|2,0,0]=2 54 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,0,0,0,0,0|2,0,0]=2 55 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,0,0,0,0,0|2,0,0]=2 62 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,0,0,0,0,0|2,0,0]=2 63 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,0,0,0,0,0|2,0,0]=2 64 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,0,0,0,0,0|1,0,0]=1 65 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,0,0,0,0,0|1,0,0]=1 66 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [0,0,0,0,0,0|2,0,2]=4 73 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [0,0,0,0,0,0|2,0,2]=4 74 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,0,0,0,0,0|2,0,0]=2 75 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,0,0,0,0,0|2,0,0]=2 76 B11R1.53 CCc1cncnc1N(C)C 27a_100102631434_200000100055 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.53 CCc1nccnc1N(C)C 27a_100102631434_100011995844 [0,0,0,0,0,0|2,0,0]=2 78 B11R1.53 CCc1ncncc1N(C)C 27a_100102631434_100009816992 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_100011465059_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_200025704644_100011465059 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.53 CN(C)c1nccnc1C#N 27a_100102631434_100000040484 [0,0,0,0,0,0|3,0,1]=4 82 B11R1.53 CN(C)c1nccnc1S[13CH3] 62a_200025704644_100000703087 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [0,0,0,0,0,0|4,0,0]=4 84 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,0,0,0,0,0|2,0,0]=2 87 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [0,0,0,0,0,0|3,0,0]=3 88 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,0,0,0,0,0|1,0,0]=1 89 B11R1.53 CNc1nccnc1C(=O)N 27a_100102657272_100000094861 [0,0,0,0,0,0|2,0,0]=2 90 B11R1.53 CNc1nccnc1N(C)C 27a_100102657272_100000703087 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,0,0,0,0,0|4,0,0]=4 93 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,0,0,0,0,0|3,0,0]=3 95 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,0,0,0,0,0|2,0,0]=2 97 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,0,0,0,0,0|2,0,0]=2 98 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,0,0,0,0,0|3,0,0]=3 99 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,0,0,0,0,0|3,0,0]=3 100 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [0,0,0,0,0,0|3,0,1]=4 101 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [0,0,0,0,0,0|3,0,1]=4 102 B11R1.53 COc1cccnc1[N+](=O)[O-] 7a_100000183951_200000210301 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [0,0,0,0,0,0|2,0,0]=2 105 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,0,0,0,0,0|4,0,0]=4 113 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,0,0,0,0,0|3,0,0]=3 114 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,0,0,0,0,0|2,0,0]=2 116 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,0,0,0,0,0|2,0,0]=2 117 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [0,0,0,0,0,0|3,0,0]=3 119 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [0,0,0,0,0,0|3,0,1]=4 120 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [0,0,0,0,0,0|3,0,1]=4 121 B11R1.53 CSc1cccnc1N(C)C 62a_100011465059_200000210301 [0,0,0,0,0,0|4,0,0]=4 122 B11R1.53 CSc1cccnc1N(C)C 62a_200000210301_100011465059 [0,0,0,0,0,0|4,0,0]=4 123 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [0,0,0,0,0,0|2,0,2]=4 124 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [0,0,0,0,0,0|2,0,2]=4 125 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,0,0,0,0,0|4,0,0]=4 126 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [0,0,0,0,0,0|4,0,0]=4 128 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [0,0,0,0,0,0|4,0,0]=4 129 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,0,0,0,0,0|2,0,0]=2 130 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,0,0,0,0,0|2,0,0]=2 131 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [0,0,0,0,0,0|3,0,0]=3 132 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [0,0,0,0,0,0|3,0,0]=3 133 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [0,0,0,0,0,0|3,0,1]=4 134 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [0,0,0,0,0,0|3,0,1]=4 135 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [0,0,0,0,0,0|2,0,2]=4 136 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [0,0,0,0,0,0|2,0,2]=4 137 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,0,0,0,0,0|1,0,0]=1 138 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,0,0,0,0,0|1,0,0]=1 139 B11R1.53 CSc1nccnc1C(=O)N 62a_100000094861_200000210301 [0,0,0,0,0,0|2,0,0]=2 140 B11R1.53 CSc1nccnc1C(=O)N 62a_200000210301_100000094861 [0,0,0,0,0,0|2,0,0]=2 141 B11R1.53 CSc1nccnc1N(C)C 62a_200000210301_100000703087 [0,0,0,0,0,0|3,0,0]=3 142 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [0,0,0,0,0,0|2,0,2]=4 143 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [0,0,0,0,0,0|2,0,2]=4 144 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,0,0,0,0,0|3,0,1]=4 145 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,0,0,0,0,0|3,0,0]=3 146 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,0,0,0,0,0|4,0,0]=4 147 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [0,0,0,0,0,0|4,0,0]=4 148 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,0,0,0,0,0|4,0,0]=4 149 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,0,0,0,0,0|4,0,0]=4 150 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,0,0,0,0,0|4,0,0]=4 151 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,0,0,0,0,0|3,0,0]=3 152 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,0,0,0,0,0|3,0,0]=3 153 B11R1.53 [13CH3]Oc1cccnc1[N+](=O)[O-] 7a_100000183951_200025704644 [0,0,0,0,0,0|4,0,0]=4 154 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [0,0,0,0,0,0|2,0,0]=2 155 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [0,0,0,0,0,0|4,0,0]=4 156 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [0,0,0,0,0,0|4,0,0]=4 157 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,0,0,0,0,0|4,0,0]=4 158 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,0,0,0,0,0|4,0,0]=4 159 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [0,0,0,0,0,0|3,0,0]=3 160 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [0,0,0,0,0,0|3,0,0]=3 161 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [0,0,0,0,0,0|3,0,0]=3 162 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [0,0,0,0,0,0|3,0,0]=3 163 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_100000094861_200025704644 [0,0,0,0,0,0|2,0,0]=2 164 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_200025704644_100000094861 [0,0,0,0,0,0|2,0,0]=2 165 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [1,0,0,0,0,0|1,0,2]=4 167 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [1,0,0,0,0,0|1,0,1]=3 168 B10R1.20 C=Cc1cccnc1CN 271570a_100011290941_100020591323 [1,0,0,0,0,0|2,0,1]=4 169 B10R1.20 C=Cc1cccnc1CO 271570a_100011290941_100011996772 [1,0,0,0,0,0|2,0,1]=4 170 B10R1.20 C=Cc1cccnc1NC 271570a_100011290941_100000700899 [1,0,0,0,0,0|2,0,1]=4 171 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [1,0,0,0,0,0|2,0,1]=4 172 B10R1.20 C=Cc1cccnc1SC 271570a_100011290941_100011465278 [1,0,0,0,0,0|2,0,1]=4 173 B10R1.20 C=Cc1cncnc1CC 271570a_100011290941_100009816992 [1,0,0,0,0,0|2,0,1]=4 174 B10R1.20 C=Cc1ncccc1C=O 271570a_100011290941_100009816751 [1,0,0,0,0,0|1,0,2]=4 175 B10R1.20 C=Cc1ncccc1CN 271570a_100011290941_100015189234 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.20 C=Cc1ncccc1CO 271570a_100011290941_100000748726 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.20 C=Cc1ncccc1NC 271570a_100011290941_200011806188 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.20 C=Cc1nccnc1C#N 271570a_100011290941_100000040484 [1,0,0,0,0,0|1,0,2]=4 180 B10R1.20 C=Cc1nccnc1CC 271570a_100011290941_100011995844 [1,0,0,0,0,0|0,0,1]=2 181 B10R1.20 C=Cc1nccnc1CN 271570a_100011290941_100000729963 [1,0,0,0,0,0|1,0,1]=3 182 B10R1.20 C=Cc1nccnc1CO 271570a_100011290941_100000057004 [1,0,0,0,0,0|1,0,1]=3 183 B10R1.20 C=Cc1nccnc1NC 271570a_100011290941_100011529439 [1,0,0,0,0,0|1,0,1]=3 184 B10R1.20 C=Cc1nccnc1NN 271570a_100011290941_100000755098 [1,0,0,0,0,0|2,0,1]=4 185 B10R1.20 C=Cc1nccnc1OC 271570a_100011290941_100000749998 [1,0,0,0,0,0|1,0,1]=3 186 B10R1.20 C=Cc1ncncc1CC 271570a_100011290941_200000100055 [1,0,0,0,0,0|2,0,1]=4 187 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.20 CCc1cncnc1NC 27a_100102657272_200000100055 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.20 CCc1cncnc1SC 62a_200000100055_200000210301 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.20 CCc1cncnc1SC 62a_200000210301_200000100055 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.20 CCc1cncnc1S[13CH3] 62a_200000100055_200025704644 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.20 CCc1cncnc1S[13CH3] 62a_200025704644_200000100055 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.20 CCc1nccnc1NC 27a_100102657272_100011995844 [1,0,0,0,0,0|1,0,0]=2 211 B10R1.20 CCc1nccnc1SC 62a_100011995844_200000210301 [1,0,0,0,0,0|1,0,0]=2 212 B10R1.20 CCc1nccnc1SC 62a_200000210301_100011995844 [1,0,0,0,0,0|1,0,0]=2 213 B10R1.20 CCc1nccnc1S[13CH3] 62a_100011995844_200025704644 [1,0,0,0,0,0|1,0,0]=2 214 B10R1.20 CCc1nccnc1S[13CH3] 62a_200025704644_100011995844 [1,0,0,0,0,0|1,0,0]=2 215 B10R1.20 CCc1ncncc1NC 27a_100102657272_100009816992 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.20 CCc1ncncc1SC 62a_100009816992_200000210301 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.20 CCc1ncncc1SC 62a_200000210301_100009816992 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.20 CCc1ncncc1S[13CH3] 62a_100009816992_200025704644 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.20 CCc1ncncc1S[13CH3] 62a_200025704644_100009816992 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.20 CNc1cccnc1SC 62a_200000210301_200011806188 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.20 CNc1cccnc1S[13CH3] 62a_200025704644_200011806188 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.20 CNc1ncccc1SC 62a_100000700899_200000210301 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.20 CNc1ncccc1SC 62a_200000210301_100000700899 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.20 CNc1ncccc1S[13CH3] 62a_100000700899_200025704644 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.20 CNc1ncccc1S[13CH3] 62a_200025704644_100000700899 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.20 CNc1nccnc1C#N 27a_100102657272_100000040484 [1,0,0,0,0,0|2,0,1]=4 227 B10R1.20 CNc1nccnc1OC 27a_100102657272_100009858322 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.20 CNc1nccnc1SC 62a_200000210301_100011529439 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.20 CNc1nccnc1S[13CH3] 62a_200025704644_100011529439 [1,0,0,0,0,0|2,0,0]=3 230 B10R1.20 COc1cccnc1CBr 34a_200020655725_200000210301 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.20 COc1cccnc1CBr 7a_200020655725_200000210301 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.20 COc1nccnc1SC 62a_100009858322_200000210301 [1,0,0,0,0,0|2,0,0]=3 248 B10R1.20 COc1nccnc1SC 62a_200000210301_100000749998 [1,0,0,0,0,0|2,0,0]=3 249 B10R1.20 COc1nccnc1S[13CH3] 62a_100009858322_200025704644 [1,0,0,0,0,0|2,0,0]=3 250 B10R1.20 COc1nccnc1S[13CH3] 62a_200025704644_100000749998 [1,0,0,0,0,0|2,0,0]=3 251 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [1,0,0,0,0,0|2,0,0]=3 254 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [1,0,0,0,0,0|2,0,0]=3 255 B10R1.20 CSc1cccnc1CN 62a_100020591323_200000210301 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.20 CSc1cccnc1CN 62a_200000210301_100020591323 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.20 CSc1cccnc1CO 62a_100011996772_200000210301 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.20 CSc1cccnc1CO 62a_200000210301_100011996772 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.20 CSc1cccnc1SC 62a_100011465278_200000210301 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.20 CSc1cccnc1SC 62a_200000210301_100011465278 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.20 CSc1ncccc1C=O 62a_100009816751_200000210301 [1,0,0,0,0,0|2,0,0]=3 262 B10R1.20 CSc1ncccc1C=O 62a_200000210301_100009816751 [1,0,0,0,0,0|2,0,0]=3 263 B10R1.20 CSc1ncccc1CN 62a_100015189234_200000210301 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.20 CSc1ncccc1CN 62a_200000210301_100015189234 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.20 CSc1ncccc1CO 62a_100000748726_200000210301 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.20 CSc1ncccc1CO 62a_200000210301_100000748726 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.20 CSc1ncccc1S[13CH3] 62a_100011465278_200025704644 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.20 CSc1ncccc1S[13CH3] 62a_200025704644_100011465278 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.20 CSc1nccnc1C#N 62a_200000210301_100000040484 [1,0,0,0,0,0|2,0,1]=4 270 B10R1.20 CSc1nccnc1C=O 62a_100000051000_200000210301 [1,0,0,0,0,0|1,0,0]=2 271 B10R1.20 CSc1nccnc1C=O 62a_200000210301_100000051000 [1,0,0,0,0,0|1,0,0]=2 272 B10R1.20 CSc1nccnc1CN 62a_100000729963_200000210301 [1,0,0,0,0,0|2,0,0]=3 273 B10R1.20 CSc1nccnc1CN 62a_200000210301_100000729963 [1,0,0,0,0,0|2,0,0]=3 274 B10R1.20 CSc1nccnc1CO 62a_100000057004_200000210301 [1,0,0,0,0,0|2,0,0]=3 275 B10R1.20 CSc1nccnc1CO 62a_200000210301_100000057004 [1,0,0,0,0,0|2,0,0]=3 276 B10R1.20 CSc1nccnc1NN 62a_200000210301_100000755098 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.20 [13CH3]Oc1cccnc1CBr 34a_200020655725_200025704644 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.20 [13CH3]Oc1cccnc1CBr 7a_200020655725_200025704644 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.20 [13CH3]Sc1cccnc1CN 62a_100020591323_200025704644 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.20 [13CH3]Sc1cccnc1CN 62a_200025704644_100020591323 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.20 [13CH3]Sc1cccnc1CO 62a_100011996772_200025704644 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.20 [13CH3]Sc1cccnc1CO 62a_200025704644_100011996772 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_100009816751_200025704644 [1,0,0,0,0,0|2,0,0]=3 289 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_200025704644_100009816751 [1,0,0,0,0,0|2,0,0]=3 290 B10R1.20 [13CH3]Sc1ncccc1CN 62a_100015189234_200025704644 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.20 [13CH3]Sc1ncccc1CN 62a_200025704644_100015189234 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.20 [13CH3]Sc1ncccc1CO 62a_100000748726_200025704644 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.20 [13CH3]Sc1ncccc1CO 62a_200025704644_100000748726 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.20 [13CH3]Sc1nccnc1C#N 62a_200025704644_100000040484 [1,0,0,0,0,0|2,0,1]=4 295 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_100000051000_200025704644 [1,0,0,0,0,0|1,0,0]=2 296 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_200025704644_100000051000 [1,0,0,0,0,0|1,0,0]=2 297 B10R1.20 [13CH3]Sc1nccnc1CN 62a_100000729963_200025704644 [1,0,0,0,0,0|2,0,0]=3 298 B10R1.20 [13CH3]Sc1nccnc1CN 62a_200025704644_100000729963 [1,0,0,0,0,0|2,0,0]=3 299 B10R1.20 [13CH3]Sc1nccnc1CO 62a_100000057004_200025704644 [1,0,0,0,0,0|2,0,0]=3 300 B10R1.20 [13CH3]Sc1nccnc1CO 62a_200025704644_100000057004 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.20 [13CH3]Sc1nccnc1NN 62a_200025704644_100000755098 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.61 C=C(C)c1cncnc1C 271570a_100000694244_100009819671 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.61 C=C(C)c1ncc[nH]c1=O 271570a_100000694244_100000763361 [1,0,0,0,0,0|2,0,1]=4 310 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,0,0,0,0,0|2,0,0]=3 312 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [1,0,0,0,0,0|1,0,0]=2 317 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [1,0,0,0,0,0|2,0,0]=3 318 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [1,0,0,0,0,0|2,0,0]=3 319 B10R1.61 C=C(C)c1ncncc1C 271570a_100000694244_100011998708 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.61 C=C(C)c1nnccc1C 271570a_100000694244_100000089043 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,0,0,0,0,0|3,0,0]=4 322 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,0,0,0,0,0|2,0,0]=3 323 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,0,0,0,0,0|3,0,0]=4 325 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,0,0,0,0,0|3,0,0]=4 326 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,0,0,0,0,0|3,0,0]=4 329 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,0,0,0,0,0|2,0,0]=3 330 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,0,0,0,0,0|2,0,0]=3 331 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,0,0,0,0,0|1,0,0]=2 332 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,0,0,0,0,0|2,0,0]=3 335 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [1,0,0,0,0,0|2,0,0]=3 336 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [1,0,0,0,0,0|2,0,0]=3 339 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,0,0,0,0,0|3,0,0]=4 340 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,0,0,0,0,0|3,0,0]=4 341 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,0,0,0,0,0|3,0,0]=4 342 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,0,0,0,0,0|3,0,0]=4 343 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,0,0,0,0,0|3,0,0]=4 344 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,0,0,0,0,0|3,0,0]=4 345 B12R1.46 C=C(C)c1cc(cnc1CC)N 271570a_100000694244_100013085292 [0,1,0,0,0,0|2,0,0]=3 346 B12R1.46 C=C(C)c1cc(cnc1OC)Br 271570a_100000694244_100009814608 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.46 C=C(C)c1cc(cnc1OC)C 271570a_100000694244_100012353929 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.46 C=C(C)c1cc(cnc1OC)F 271570a_100000694244_100009828472 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.46 C=C(C)c1cc(cnc1OC)N 271570a_100000694244_100012351452 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.46 C=C(C)c1nc(ccc1CO)C 271570a_100000694244_102495338573 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.46 C=C(C)c1nc(ccc1OC)C 271570a_100000694244_100009820875 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.46 C=C(C)c1nc(ccc1OC)N 271570a_100000694244_100010172607 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.46 C=C(C)c1nc(cnc1C#N)N 271570a_100000694244_100000099870 [0,1,0,0,0,0|2,0,1]=4 354 B12R1.46 C=C(C)c1nc(ncc1CC)C 271570a_100000694244_200000069817 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.46 C=Cc1ncc(cc1C(=O)C)F 271570a_100011290941_100000118324 [0,1,0,0,0,0|1,0,2]=4 356 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])Br 62a_100012349576_200025704644 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,1,0,0,0,0|3,0,0]=4 368 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_100012353695_200025704644 [0,1,0,0,0,0|3,0,0]=4 369 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100010200798 [0,1,0,0,0,0|3,0,0]=4 370 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])N 62a_100012349454_200025704644 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_100000118324_200025704644 [0,1,0,0,0,0|2,0,0]=3 372 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100000118324 [0,1,0,0,0,0|2,0,0]=3 373 B12R1.46 CCc1ccc(cc1C(=O)C)Br 1458a_100012343961_200000210301 [0,1,0,0,0,0|2,0,0]=3 374 B12R1.46 CCc1ccc(cc1C(=O)[13CH3])Br 1458a_100012343961_200025704644 [0,1,0,0,0,0|2,0,0]=3 375 B12R1.46 CNc1ncc(cc1C(=O)N)F 27a_100102657272_100012183597 [0,1,0,0,0,0|3,0,0]=4 376 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,1,0,0,0,0|3,0,0]=4 377 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,1,0,0,0,0|3,0,0]=4 383 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,1,0,0,0,0|3,0,0]=4 384 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,1,0,0,0,0|3,0,0]=4 385 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,1,0,0,0,0|3,0,0]=4 386 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,1,0,0,0,0|3,0,0]=4 393 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,1,0,0,0,0|3,0,0]=4 397 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,1,0,0,0,0|2,0,0]=3 399 B12R1.46 CSc1ccc(cc1C(=O)C)Br 62a_100012349576_200000210301 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,1,0,0,0,0|3,0,0]=4 401 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,1,0,0,0,0|3,0,0]=4 402 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_100012353695_200000210301 [0,1,0,0,0,0|3,0,0]=4 403 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_200000210301_100010200798 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.46 CSc1ccc(cc1C(=O)C)N 62a_100012349454_200000210301 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_100000118324_200000210301 [0,1,0,0,0,0|2,0,0]=3 406 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_200000210301_100000118324 [0,1,0,0,0,0|2,0,0]=3 407 B12R1.46 CSc1ncc(cc1C(=O)N)F 62a_100012183597_200000210301 [0,1,0,0,0,0|3,0,0]=4 408 B12R1.46 CSc1ncc(cc1C(=O)N)F 62a_200000210301_100012183597 [0,1,0,0,0,0|3,0,0]=4 409 B12R1.46 [13CH3]Sc1ncc(cc1C(=O)N)F 62a_100012183597_200025704644 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.46 [13CH3]Sc1ncc(cc1C(=O)N)F 62a_200025704644_100012183597 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.57 C=C(C)c1ccc(cc1CC)Br 271570a_100000694244_100011216195 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.57 C=C(C)c1ccc(cc1CC)N 271570a_100000694244_100010109747 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.57 C=C(C)c1ccc(nc1CO)C 271570a_100000694244_100010074375 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.57 C=C(C)c1ccc(nc1CO)F 271570a_100000694244_100000701195 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.57 C=C(C)c1ccc(nc1OC)C 271570a_100000694244_100010138632 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.57 C=C(C)c1ccc(nc1OC)N 271570a_100000694244_100010187630 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.57 C=C(C)c1ncc(cc1CN)F 271570a_100000694244_100010760786 [0,1,0,0,0,0|3,0,0]=4 418 B12R1.57 C=C(C)c1ncc(cc1CO)C 271570a_100000694244_100000118064 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.57 C=C(C)c1ncc(cc1CO)F 271570a_100000694244_100000079972 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.57 C=C(C)c1ncc(cc1OC)C 271570a_100000694244_200000118316 [0,1,0,0,0,0|3,0,0]=4 421 B12R1.57 C=C(C)c1ncc(cc1OC)F 271570a_100000694244_100009867738 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.57 C=C(C)c1ncc(cc1OC)N 271570a_100000694244_100000097218 [0,1,0,0,0,0|3,0,0]=4 423 B12R1.57 C=C(C)c1ncc(cc1SC)C 271570a_100000694244_100010884634 [0,1,0,0,0,0|3,0,0]=4 424 B12R1.57 C=C(C)c1ncc(nc1OC)Br 271570a_100000694244_100010214903 [0,1,0,0,0,0|2,0,0]=3 425 B12R1.57 C=C(C)c1ncc(nc1OC)N 271570a_100000694244_100010128448 [0,1,0,0,0,0|2,0,0]=3 426 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [0,1,0,0,0,0|3,0,0]=4 427 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [0,1,0,0,0,0|3,0,0]=4 428 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [0,1,0,0,0,0|3,0,0]=4 429 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,1,0,0,0,0|3,0,0]=4 430 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,1,0,0,0,0|3,0,0]=4 431 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,1,0,0,0,0|3,0,0]=4 433 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [0,1,0,0,0,0|3,0,0]=4 438 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [0,1,0,0,0,0|2,0,0]=3 439 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [0,1,0,0,0,0|2,0,0]=3 440 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.57 CNc1nc(ccc1C(=O)N)C 27a_100102657272_100000041523 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.57 CNc1nc(cnc1C(C)C)C 27a_100102657272_100015629263 [0,1,0,0,0,0|2,0,1]=4 443 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [0,1,0,0,0,0|3,0,0]=4 444 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,1,0,0,0,0|3,0,0]=4 447 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,1,0,0,0,0|3,0,0]=4 451 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [0,1,0,0,0,0|3,0,0]=4 452 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [0,1,0,0,0,0|3,0,0]=4 459 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [0,1,0,0,0,0|3,0,0]=4 460 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [0,1,0,0,0,0|2,0,0]=3 461 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [0,1,0,0,0,0|3,0,0]=4 465 B12R1.57 CSc1nc(ccc1C(=O)N)C 62a_100000041523_200000210301 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.57 CSc1nc(ccc1C(=O)N)C 62a_200000210301_100000041523 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_100015629263_200000210301 [0,1,0,0,0,0|2,0,1]=4 468 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_200000210301_100015629263 [0,1,0,0,0,0|2,0,1]=4 469 B12R1.57 Cc1ccc(c(n1)S[13CH3])C(=O)N 62a_100000041523_200025704644 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.57 Cc1ccc(c(n1)S[13CH3])C(=O)N 62a_200025704644_100000041523 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_100015629263_200025704644 [0,1,0,0,0,0|2,0,1]=4 472 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_200025704644_100015629263 [0,1,0,0,0,0|2,0,1]=4 473 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.76 CS(=O)(=O)c1ncccc1S[13CH3] 62a_100009830116_200025704644 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.76 CS(=O)(=O)c1ncccc1S[13CH3] 62a_200025704644_100009830116 [0,1,0,0,0,0|3,0,0]=4 477 B12R1.76 CSc1cccnc1S(=O)(=O)C 62a_100009830116_200000210301 [0,1,0,0,0,0|3,0,0]=4 478 B12R1.76 CSc1cccnc1S(=O)(=O)C 62a_200000210301_100009830116 [0,1,0,0,0,0|3,0,0]=4 479 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [0,1,0,0,0,0|1,0,2]=4 480 B12R1.77 C=Cc1ncccc1C(=O)NC 271570a_100011290941_100000159833 [0,1,0,0,0,0|1,0,2]=4 481 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [0,1,0,0,0,0|1,0,2]=4 482 B12R1.77 C=Cc1nccnc1C(=O)OC 271570a_100011290941_100000688410 [0,1,0,0,0,0|0,0,2]=3 483 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,1,0,0,0,0|2,0,0]=3 484 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [0,1,0,0,0,0|2,0,0]=3 490 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [0,1,0,0,0,0|2,0,0]=3 491 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [0,1,0,0,0,0|2,0,0]=3 492 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [0,1,0,0,0,0|2,0,0]=3 493 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [0,1,0,0,0,0|2,0,0]=3 494 B12R1.77 CCc1nccnc1C(C)NC 269862a_106832991636_100000033879 [0,1,0,0,0,0|1,0,1]=3 495 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [0,1,0,0,0,0|3,0,0]=4 497 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,1,0,0,0,0|3,0,0]=4 506 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [0,1,0,0,0,0|3,0,0]=4 508 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [0,1,0,0,0,0|3,0,0]=4 509 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [0,1,0,0,0,0|3,0,0]=4 510 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.77 CNC(=O)c1cccnc1NC 27a_100102657272_100000159833 [0,1,0,0,0,0|2,0,0]=3 515 B12R1.77 CNC(=O)c1cccnc1SC 62a_100000159833_200000210301 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.77 CNC(=O)c1cccnc1SC 62a_200000210301_100000159833 [0,1,0,0,0,0|2,0,0]=3 517 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_100000159833_200025704644 [0,1,0,0,0,0|2,0,0]=3 518 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159833 [0,1,0,0,0,0|2,0,0]=3 519 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [0,1,0,0,0,0|2,0,0]=3 520 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [0,1,0,0,0,0|2,0,0]=3 521 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [0,1,0,0,0,0|2,0,0]=3 522 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [0,1,0,0,0,0|2,0,0]=3 523 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [0,1,0,0,0,0|2,0,0]=3 524 B12R1.77 CNc1nccnc1C(=O)OC 27a_100102657272_100000079898 [0,1,0,0,0,0|1,0,0]=2 525 B12R1.77 CNc1ncncc1C(=O)OC 27a_100102657272_100000726419 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [0,1,0,0,0,0|2,0,0]=3 533 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [0,1,0,0,0,0|2,0,0]=3 534 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [0,1,0,0,0,0|2,0,0]=3 535 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [0,1,0,0,0,0|2,0,0]=3 536 B12R1.77 COC(=O)c1cncnc1SC 62a_100000726419_200000210301 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.77 COC(=O)c1cncnc1SC 62a_200000210301_100000726419 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.77 COC(=O)c1cncnc1S[13CH3] 62a_100000726419_200025704644 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.77 COC(=O)c1cncnc1S[13CH3] 62a_200025704644_100000726419 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [0,1,0,0,0,0|2,0,0]=3 541 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [0,1,0,0,0,0|2,0,0]=3 542 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [0,1,0,0,0,0|2,0,0]=3 543 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [0,1,0,0,0,0|2,0,0]=3 544 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [0,1,0,0,0,0|2,0,0]=3 545 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [0,1,0,0,0,0|2,0,0]=3 546 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [0,1,0,0,0,0|2,0,0]=3 547 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.77 COC(=O)c1nccnc1SC 62a_100000688410_200000210301 [0,1,0,0,0,0|1,0,0]=2 549 B12R1.77 COC(=O)c1nccnc1SC 62a_200000210301_100000079898 [0,1,0,0,0,0|1,0,0]=2 550 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_100000688410_200025704644 [0,1,0,0,0,0|1,0,0]=2 551 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000079898 [0,1,0,0,0,0|1,0,0]=2 552 B12R1.77 COC(=O)c1ncncc1SC 62a_100012360100_200000210301 [0,1,0,0,0,0|3,0,0]=4 553 B12R1.77 COC(=O)c1ncncc1SC 62a_200000210301_100012360100 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.77 COC(=O)c1ncncc1S[13CH3] 62a_100012360100_200025704644 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.77 COC(=O)c1ncncc1S[13CH3] 62a_200025704644_100012360100 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.87 C=C(C)c1nccc(c1OC)N 271570a_100000694244_100000104429 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.87 C=C(C)c1nccc(c1OC)O 271570a_100000694244_100000104430 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_100012362612_200025704644 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012362612 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.87 CCc1c(cccc1C(=O)C)Br 1458a_100010125490_200000210301 [0,1,0,0,0,0|2,0,0]=3 572 B12R1.87 CCc1c(cccc1C(=O)[13CH3])Br 1458a_100010125490_200025704644 [0,1,0,0,0,0|2,0,0]=3 573 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [0,1,0,0,0,0|3,0,0]=4 574 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,1,0,0,0,0|3,0,0]=4 575 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,1,0,0,0,0|3,0,0]=4 577 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [0,1,0,0,0,0|3,0,0]=4 579 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [0,1,0,0,0,0|3,0,0]=4 580 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_100012362612_200000210301 [0,1,0,0,0,0|3,0,0]=4 591 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_200000210301_100012362612 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [0,1,0,0,0,0|2,0,1]=4 593 B12R1.261 C=C(C)c1ccccc1C(C)C 271570a_100000694244_100011218076 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.261 C=C(C)c1ccccc1C(C)N 271570a_100000694244_100000181357 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.261 C=C(C)c1ccccc1C(C)O 271570a_100000694244_100000702211 [0,1,0,0,0,0|3,0,0]=4 596 B12R1.261 C=C(C)c1cccnc1C(=O)C 271570a_100000694244_100012348690 [0,1,0,0,0,0|1,0,1]=3 597 B12R1.261 C=C(C)c1cccnc1C(=O)N 271570a_100000694244_200012359670 [0,1,0,0,0,0|2,0,1]=4 598 B12R1.261 C=C(C)c1cccnc1C(C)N 271570a_100000694244_100159271932 [0,1,0,0,0,0|2,0,0]=3 599 B12R1.261 C=C(C)c1cccnc1C(F)F 271570a_100000694244_100010079810 [0,1,0,0,0,0|3,0,0]=4 600 B12R1.261 C=C(C)c1cccnc1N(C)C 271570a_100000694244_100011465059 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.261 C=C(C)c1cccnc1[C@H](C)O 271570a_100000694244_100013325542 [0,1,0,0,0,0|2,0,0]=3 602 B12R1.261 C=C(C)c1cncnc1C(C)C 271570a_100000694244_100009816988 [0,1,0,0,0,0|3,0,0]=4 603 B12R1.261 C=C(C)c1ncccc1C(=O)C 271570a_100000694244_100000753718 [0,1,0,0,0,0|1,0,1]=3 604 B12R1.261 C=C(C)c1ncccc1C(=O)N 271570a_100000694244_100000162199 [0,1,0,0,0,0|2,0,1]=4 605 B12R1.261 C=C(C)c1ncccc1C(C)C 271570a_100000694244_200010382935 [0,1,0,0,0,0|2,0,0]=3 606 B12R1.261 C=C(C)c1ncccc1C(C)O 271570a_100000694244_100009865335 [0,1,0,0,0,0|2,0,0]=3 607 B12R1.261 C=C(C)c1ncccc1C(F)F 271570a_100000694244_100010136063 [0,1,0,0,0,0|3,0,0]=4 608 B12R1.261 C=C(C)c1nccnc1C(=O)C 271570a_100000694244_100000099859 [0,1,0,0,0,0|0,0,1]=2 609 B12R1.261 C=C(C)c1nccnc1C(=O)N 271570a_100000694244_100000094861 [0,1,0,0,0,0|1,0,1]=3 610 B12R1.261 C=C(C)c1nccnc1N(C)C 271570a_100000694244_100000703087 [0,1,0,0,0,0|2,0,0]=3 611 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [0,1,0,0,0,0|2,0,0]=3 612 B12R1.261 CC(=O)c1ccccc1C(F)F 1458a_100009872251_200000210301 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.261 CC(=O)c1cccnc1N(C)C 27a_100102631434_100009816689 [0,1,0,0,0,0|2,0,0]=3 616 B12R1.261 CC(=O)c1nccnc1N(C)C 27a_100102631434_100000099859 [0,1,0,0,0,0|1,0,0]=2 617 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [0,1,0,0,0,0|2,0,0]=3 618 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.261 CN(C)c1cccnc1C(=O)N 27a_100102631434_200012359670 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.261 CN(C)c1ncccc1C(=O)N 27a_100102631434_100000162199 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.261 CN(C)c1nccnc1C(=O)N 27a_100102631434_100000094861 [0,1,0,0,0,0|2,0,0]=3 622 B12R1.261 CN(C)c1nccnc1N(C)C 27a_100102631434_100000703087 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.261 [13CH3]C(=O)c1ccccc1C(F)F 1458a_100009872251_200025704644 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.283 C=C(C)c1ccccc1CCN 271570a_100000694244_100000747383 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.283 C=C(C)c1ccccc1CCO 271570a_100000694244_100000731337 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.283 C=C(C)c1ccccc1CNC 271570a_100000694244_100000184654 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.283 C=C(C)c1ccccc1CSC 271570a_100000694244_100000148299 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.283 C=C(C)c1ccccc1NCC 271570a_100000694244_114873767003 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.283 C=C(C)c1ccccc1NCC 34a_100000037685_100000210202 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.283 C=C(C)c1ccccc1SCC 271570a_100000694244_100000230856 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.283 C=C(C)c1cccnc1CC#N 271570a_100000694244_100011824415 [0,1,0,0,0,0|2,0,1]=4 635 B12R1.283 C=C(C)c1cccnc1OCC 271570a_100000694244_100011465154 [0,1,0,0,0,0|2,0,0]=3 636 B12R1.283 C=C(C)c1cncnc1CCC 271570a_100000694244_100009816987 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.283 C=C(C)c1ncccc1CC#N 271570a_100000694244_100000096391 [0,1,0,0,0,0|2,0,1]=4 638 B12R1.283 C=C(C)c1ncccc1CNC 271570a_100000694244_103496529121 [0,1,0,0,0,0|2,0,0]=3 639 B12R1.283 C=C(C)c1ncccc1OCC 271570a_100000694244_100011597540 [0,1,0,0,0,0|2,0,0]=3 640 B12R1.283 C=C(C)c1nccnc1OCC 271570a_100000694244_200010128176 [0,1,0,0,0,0|1,0,0]=2 641 B12R1.283 C=C=Cc1cccnc1C(=O)C 271570a_100015277604_100012348690 [0,1,0,0,0,0|1,0,2]=4 642 B12R1.283 C=C=Cc1ncccc1C(=O)C 271570a_100015277604_100000753718 [0,1,0,0,0,0|1,0,2]=4 643 B12R1.283 C=C=Cc1nccnc1C(=O)C 271570a_100015277604_100000099859 [0,1,0,0,0,0|0,0,2]=3 644 B12R1.283 C=C=Cc1nccnc1C(=O)N 271570a_100015277604_100000094861 [0,1,0,0,0,0|1,0,2]=4 645 B12R1.283 CC(=O)c1ccccc1CC#N 1458a_100000010604_200000210301 [0,1,0,0,0,0|2,0,1]=4 646 B12R1.283 CC(=O)c1ccccc1SCF 62a_100000751169_100015361967 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.283 CC(=O)c1cccnc1SCF 62a_100000753718_100015361967 [0,1,0,0,0,0|2,0,0]=3 648 B12R1.283 CC(=O)c1cccnc1SCF 62a_100015361967_100000753718 [0,1,0,0,0,0|2,0,0]=3 649 B12R1.283 CC(=O)c1ncccc1OCF 34a_100000087166_100015361967 [0,1,0,0,0,0|2,0,0]=3 650 B12R1.283 CC(=O)c1ncccc1OCF 7a_100000087166_100015361967 [0,1,0,0,0,0|2,0,0]=3 651 B12R1.283 CC(=O)c1ncccc1SCF 62a_100012348690_100015361967 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.283 CC(=O)c1ncccc1SCF 62a_100015361967_100012348690 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.283 CC(=O)c1nccnc1SCF 62a_100000099859_100015361967 [0,1,0,0,0,0|1,0,0]=2 654 B12R1.283 CC(=O)c1nccnc1SCF 62a_100015361967_100000099859 [0,1,0,0,0,0|1,0,0]=2 655 B12R1.283 CC(C)c1cccnc1CO[13CH3] 34a_200009878718_200025704644 [0,1,0,0,0,0|2,0,1]=4 656 B12R1.283 CC(C)c1cccnc1CS[13CH3] 62a_200025704644_200134614246 [0,1,0,0,0,0|2,0,1]=4 657 B12R1.283 CC(C)c1cccnc1CS[13CH3] 62a_200134614246_200025704644 [0,1,0,0,0,0|2,0,1]=4 658 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,1,0,0,0,0|2,0,1]=4 659 B12R1.283 CC=Cc1cccnc1C(=O)C 271570a_100016259895_100012348690 [0,1,0,0,0,0|1,0,1]=3 660 B12R1.283 CC=Cc1cccnc1C(=O)N 271570a_100016259895_200012359670 [0,1,0,0,0,0|2,0,1]=4 661 B12R1.283 CC=Cc1ncccc1C(=O)C 271570a_100016259895_100000753718 [0,1,0,0,0,0|1,0,1]=3 662 B12R1.283 CC=Cc1ncccc1C(=O)N 271570a_100016259895_100000162199 [0,1,0,0,0,0|2,0,1]=4 663 B12R1.283 CC=Cc1nccnc1C(=O)C 271570a_100016259895_100000099859 [0,1,0,0,0,0|0,0,1]=2 664 B12R1.283 CC=Cc1nccnc1C(=O)N 271570a_100016259895_100000094861 [0,1,0,0,0,0|1,0,1]=3 665 B12R1.283 CC=Cc1nccnc1N(C)C 271570a_100016259895_100000703087 [0,1,0,0,0,0|2,0,1]=4 666 B12R1.283 CCNc1ccccc1C(=O)N 34a_100000185089_100000210202 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.283 CCNc1cccnc1C(=O)N 27a_100015525214_200012359670 [0,1,0,0,0,0|2,0,0]=3 668 B12R1.283 CCNc1ccncc1C(=O)C 27a_100015525214_100160469449 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.283 CCNc1ncccc1C(=O)C 27a_100015525214_100009816689 [0,1,0,0,0,0|1,0,0]=2 670 B12R1.283 CCNc1ncccc1C(=O)N 27a_100015525214_100000162199 [0,1,0,0,0,0|2,0,0]=3 671 B12R1.283 CCNc1nccnc1C(=O)C 27a_100015525214_100000099859 [0,1,0,0,0,0|0,0,0]=1 672 B12R1.283 CCNc1nccnc1C(=O)N 27a_100015525214_100000094861 [0,1,0,0,0,0|1,0,0]=2 673 B12R1.283 CCNc1nccnc1N(C)C 27a_100015525214_100000703087 [0,1,0,0,0,0|2,0,0]=3 674 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,1,0,0,0,0|2,0,0]=3 675 B12R1.283 CCOc1ccccc1C(=O)N 34a_100000192804_100000210202 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.283 CCOc1ccccc1C(=O)N 7a_100000192804_100000210202 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,1,0,0,0,0|2,0,0]=3 678 B12R1.283 CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210202 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [0,1,0,0,0,0|1,0,0]=2 680 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [0,1,0,0,0,0|1,0,0]=2 681 B12R1.283 CCOc1cccnc1C(=O)N 34a_200011215183_100000210202 [0,1,0,0,0,0|2,0,0]=3 682 B12R1.283 CCOc1cccnc1C(=O)N 7a_200011215183_100000210202 [0,1,0,0,0,0|2,0,0]=3 683 B12R1.283 CCOc1cccnc1C(C)C 34a_100012183336_100000210202 [0,1,0,0,0,0|2,0,1]=4 684 B12R1.283 CCOc1cccnc1C(C)C 7a_100012183336_100000210202 [0,1,0,0,0,0|2,0,1]=4 685 B12R1.283 CCOc1cccnc1[N+](=O)[O-] 7a_100000183951_100000210202 [0,1,0,0,0,0|3,0,0]=4 686 B12R1.283 CCOc1cnccc1C(=O)C 7a_100009872882_100000210202 [0,1,0,0,0,0|3,0,0]=4 687 B12R1.283 CCOc1nccnc1C(=O)N 34a_100011830332_100000210202 [0,1,0,0,0,0|1,0,0]=2 688 B12R1.283 CCOc1nccnc1N(C)C 27a_100102631434_200010128176 [0,1,0,0,0,0|2,0,0]=3 689 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [0,1,0,0,0,0|2,0,0]=3 690 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [0,1,0,0,0,0|2,0,0]=3 691 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000162227_100000210202 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000210202_100000162227 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [0,1,0,0,0,0|2,0,0]=3 696 B12R1.283 CCSc1ccccc1S(=O)C 62a_100000734199_100000210202 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.283 CCSc1cccnc1C(=O)C 62a_100000210202_100012348690 [0,1,0,0,0,0|1,0,0]=2 698 B12R1.283 CCSc1cccnc1C(=O)C 62a_100012348690_100000210202 [0,1,0,0,0,0|1,0,0]=2 699 B12R1.283 CCSc1cccnc1C(=O)N 62a_100000210202_200012359670 [0,1,0,0,0,0|2,0,0]=3 700 B12R1.283 CCSc1cccnc1C(=O)N 62a_200012359670_100000210202 [0,1,0,0,0,0|2,0,0]=3 701 B12R1.283 CCSc1cccnc1C(C)N 62a_100000210202_100159271932 [0,1,0,0,0,0|2,0,1]=4 702 B12R1.283 CCSc1cccnc1C(C)N 62a_100159271932_100000210202 [0,1,0,0,0,0|2,0,1]=4 703 B12R1.283 CCSc1cccnc1N(C)C 62a_100000210202_100011465059 [0,1,0,0,0,0|3,0,0]=4 704 B12R1.283 CCSc1cccnc1N(C)C 62a_100011465059_100000210202 [0,1,0,0,0,0|3,0,0]=4 705 B12R1.283 CCSc1cccnc1[C@H](C)O 62a_100000210202_100013325542 [0,1,0,0,0,0|1,0,2]=4 706 B12R1.283 CCSc1cccnc1[C@H](C)O 62a_100013325542_100000210202 [0,1,0,0,0,0|1,0,2]=4 707 B12R1.283 CCSc1ccncc1C(=O)C 62a_100000210202_100160469449 [0,1,0,0,0,0|3,0,0]=4 708 B12R1.283 CCSc1ccncc1C(=O)C 62a_100160469449_100000210202 [0,1,0,0,0,0|3,0,0]=4 709 B12R1.283 CCSc1cnccc1C(=O)C 62a_100000210202_100009993184 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.283 CCSc1cnccc1C(=O)C 62a_100009993184_100000210202 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000210202_100000753718 [0,1,0,0,0,0|1,0,0]=2 712 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000753718_100000210202 [0,1,0,0,0,0|1,0,0]=2 713 B12R1.283 CCSc1ncccc1C(=O)N 62a_100000162199_100000210202 [0,1,0,0,0,0|2,0,0]=3 714 B12R1.283 CCSc1ncccc1C(=O)N 62a_100000210202_100000162199 [0,1,0,0,0,0|2,0,0]=3 715 B12R1.283 CCSc1ncccc1C(C)C 62a_100000210202_200010382935 [0,1,0,0,0,0|2,0,1]=4 716 B12R1.283 CCSc1ncccc1C(C)C 62a_200010382935_100000210202 [0,1,0,0,0,0|2,0,1]=4 717 B12R1.283 CCSc1ncccc1C(C)O 62a_100000210202_100009865335 [0,1,0,0,0,0|1,0,2]=4 718 B12R1.283 CCSc1ncccc1C(C)O 62a_100009865335_100000210202 [0,1,0,0,0,0|1,0,2]=4 719 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000099859_100000210202 [0,1,0,0,0,0|0,0,0]=1 720 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000210202_100000099859 [0,1,0,0,0,0|0,0,0]=1 721 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000094861_100000210202 [0,1,0,0,0,0|1,0,0]=2 722 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000210202_100000094861 [0,1,0,0,0,0|1,0,0]=2 723 B12R1.283 CCSc1nccnc1N(C)C 62a_100000210202_100000703087 [0,1,0,0,0,0|2,0,0]=3 724 B12R1.283 CN(C)c1nccnc1SCF 62a_100015361967_100000703087 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.283 CNCc1cccnc1N(C)C 207a_100102657272_100000731630 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.283 CNCc1cccnc1N(C)C 270004a_106832991635_100000731630 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.283 CNCc1ncccc1C(C)C 2230a_106832991635_200134614246 [0,1,0,0,0,0|2,0,1]=4 729 B12R1.283 CNCc1ncccc1C(C)C 34a_100102657272_200134614246 [0,1,0,0,0,0|2,0,1]=4 730 B12R1.283 CNCc1ncccc1C(C)C 7a_106832991635_200134614246 [0,1,0,0,0,0|2,0,1]=4 731 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [0,1,0,0,0,0|2,0,0]=3 732 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [0,1,0,0,0,0|2,0,0]=3 733 B12R1.283 COCc1ncccc1C(C)C 34a_100138415774_200134614246 [0,1,0,0,0,0|2,0,1]=4 734 B12R1.283 COCc1ncccc1C(C)C 34a_200009878718_200000210301 [0,1,0,0,0,0|2,0,1]=4 735 B12R1.283 CSCc1ncccc1C(C)C 62a_200000210301_200134614246 [0,1,0,0,0,0|2,0,1]=4 736 B12R1.283 CSCc1ncccc1C(C)C 62a_200134614246_200000210301 [0,1,0,0,0,0|2,0,1]=4 737 B12R1.283 NC(=O)c1cccnc1SCF 62a_100000162199_100015361967 [0,1,0,0,0,0|3,0,0]=4 738 B12R1.283 NC(=O)c1cccnc1SCF 62a_100015361967_100000162199 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.283 NC(=O)c1ncccc1OCF 34a_200011215183_100015361967 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.283 NC(=O)c1ncccc1OCF 7a_200011215183_100015361967 [0,1,0,0,0,0|3,0,0]=4 741 B12R1.283 NC(=O)c1ncccc1SCF 62a_100015361967_200012359670 [0,1,0,0,0,0|3,0,0]=4 742 B12R1.283 NC(=O)c1ncccc1SCF 62a_200012359670_100015361967 [0,1,0,0,0,0|3,0,0]=4 743 B12R1.283 NC(=O)c1nccnc1OCF 34a_100011830332_100015361967 [0,1,0,0,0,0|2,0,0]=3 744 B12R1.283 NC(=O)c1nccnc1SCF 62a_100000094861_100015361967 [0,1,0,0,0,0|2,0,0]=3 745 B12R1.283 NC(=O)c1nccnc1SCF 62a_100015361967_100000094861 [0,1,0,0,0,0|2,0,0]=3 746 B12R1.283 [13CH3]C(=O)c1ccccc1CC#N 1458a_100000010604_200025704644 [0,1,0,0,0,0|2,0,1]=4 747 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [0,1,0,0,0,0|3,0,0]=4 748 B12R1.437 C=C(C)c1c(cccc1CC)C 271570a_100000694244_100000036235 [0,1,0,0,0,0|3,0,0]=4 749 B12R1.437 C=C(C)c1c(ccnc1OC)C 271570a_100000694244_100012353928 [0,1,0,0,0,0|3,0,0]=4 750 B12R1.437 C=C(C)c1c(ccnc1OC)N 271570a_100000694244_100010243811 [0,1,0,0,0,0|3,0,0]=4 751 B12R1.437 C=Cc1nccc(c1C(=O)C)N 271570a_100011290941_200010729368 [0,1,0,0,0,0|1,0,2]=4 752 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 34a_100010174959_200025704644 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 7a_100010174959_200025704644 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 34a_100009860897_200025704644 [0,1,0,0,0,0|3,0,0]=4 755 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 7a_100009860897_200025704644 [0,1,0,0,0,0|3,0,0]=4 756 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 34a_100000730630_200025704644 [0,1,0,0,0,0|3,0,0]=4 757 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 7a_100000730630_200025704644 [0,1,0,0,0,0|3,0,0]=4 758 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 34a_100011216272_200025704644 [0,1,0,0,0,0|3,0,0]=4 759 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 7a_100011216272_200025704644 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.437 CC(=O)c1c(cccc1S[13CH3])F 62a_100012351873_200025704644 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.437 CC(=O)c1c(ccnc1S[13CH3])N 62a_200010729368_200025704644 [0,1,0,0,0,0|2,0,0]=3 762 B12R1.437 CC(=O)c1c(ccnc1S[13CH3])N 62a_200025704644_200010729368 [0,1,0,0,0,0|2,0,0]=3 763 B12R1.437 COc1cccc(c1C(=O)C)Br 1458a_100011593405_200000210301 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.437 COc1cccc(c1C(=O)C)Br 34a_100010174959_200000210301 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.437 COc1cccc(c1C(=O)C)Br 7a_100010174959_200000210301 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.437 COc1cccc(c1C(=O)C)C 1458a_100000066212_200000210301 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.437 COc1cccc(c1C(=O)C)C 34a_100009860897_200000210301 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.437 COc1cccc(c1C(=O)C)C 7a_100009860897_200000210301 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.437 COc1cccc(c1C(=O)C)Cl 1458a_100000743539_200000210301 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.437 COc1cccc(c1C(=O)C)Cl 34a_100000730630_200000210301 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.437 COc1cccc(c1C(=O)C)Cl 7a_100000730630_200000210301 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.437 COc1cccc(c1C(=O)C)F 1458a_100000759380_200000210301 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.437 COc1cccc(c1C(=O)C)F 34a_100011216272_200000210301 [0,1,0,0,0,0|3,0,0]=4 774 B12R1.437 COc1cccc(c1C(=O)C)F 7a_100011216272_200000210301 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.437 COc1cccc(c1C(=O)C)I 1458a_100010179659_200000210301 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.437 COc1cccc(c1C(=O)C)O 1458a_100000043310_200000210301 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.437 COc1cccc(c1C(=O)C)O 271570a_203496583355_100010725609 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.437 COc1cccc(c1C(=O)[13CH3])Br 1458a_100011593405_200025704644 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.437 COc1cccc(c1C(=O)[13CH3])C 1458a_100000066212_200025704644 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.437 COc1cccc(c1C(=O)[13CH3])Cl 1458a_100000743539_200025704644 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.437 COc1cccc(c1C(=O)[13CH3])F 1458a_100000759380_200025704644 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.437 COc1cccc(c1C(=O)[13CH3])I 1458a_100010179659_200025704644 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.437 COc1cccc(c1C(=O)[13CH3])O 1458a_100000043310_200025704644 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.437 CSc1cccc(c1C(=O)C)F 62a_100012351873_200000210301 [0,1,0,0,0,0|3,0,0]=4 785 B12R1.437 CSc1nccc(c1C(=O)C)N 62a_200000210301_200010729368 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.437 CSc1nccc(c1C(=O)C)N 62a_200010729368_200000210301 [0,1,0,0,0,0|2,0,0]=3 787 B10R0.4 CC=CC=CC=NNC(=O)C 4a_100000189765_100000691131 [0,0,1,0,0,0|2,0,1]=4 788 B10R0.4 CCCC=CC=NNC(=O)C 4a_100000189765_100016266791 [0,0,1,0,0,0|2,0,1]=4 789 B12R2.2048 CCc1ncccc1C2CC2 271570a_100011220607_100009877225 [0,0,0,1,0,0|2,0,1]=4 790 B12R2.2048 CCc1nccnc1C2CC2 271570a_100011220607_100011995844 [0,0,0,1,0,0|1,0,1]=3 791 B12R2.2048 CNc1nccnc1C2CC2 271570a_100011220607_100011529439 [0,0,0,1,0,0|2,0,1]=4 792 B12R2.2048 COc1nccnc1C2CC2 271570a_100011220607_100000749998 [0,0,0,1,0,0|2,0,1]=4 793 B12R2.2048 NCc1nccnc1C2CC2 271570a_100011220607_100000729963 [0,0,0,1,0,0|2,0,1]=4 794 B12R2.2048 OCc1nccnc1C2CC2 271570a_100011220607_100000057004 [0,0,0,1,0,0|2,0,1]=4 795 B10R1.39 C=C(C)c1c[nH]nc1OC 271570a_100000694244_100010982843 [0,0,0,0,1,0|3,0,0]=4 796 B10R1.39 C=C(C)c1ccnn1CC 271570a_100000694244_100000728327 [0,0,0,0,1,0|2,0,0]=3 797 B10R1.39 C=C(C)c1ccsc1CO 271570a_100000694244_100000702026 [0,0,0,0,1,0|3,0,0]=4 798 B10R1.39 C=C(C)c1ccsc1SC 271570a_100000694244_200010341309 [0,0,0,0,1,0|3,0,0]=4 799 B10R1.39 C=C(C)c1cscc1CC 271570a_100000694244_100011068457 [0,0,0,0,1,0|3,0,0]=4 800 B10R1.39 C=C(C)c1nccn1CC 271570a_100000694244_100011617267 [0,0,0,0,1,0|2,0,0]=3 801 B10R1.39 C=C(C)c1ncnn1CC 271570a_100000694244_100009879425 [0,0,0,0,1,0|2,0,0]=3 802 B10R1.39 C=C(C)c1ncsc1CO 271570a_100000694244_100012000948 [0,0,0,0,1,0|3,0,0]=4 803 B10R1.39 C=C(C)c1sccc1CC 271570a_100000694244_200009875468 [0,0,0,0,1,0|2,0,0]=3 804 B10R1.39 C=C(C)c1sccc1CN 271570a_100000694244_100000727803 [0,0,0,0,1,0|3,0,0]=4 805 B10R1.39 C=C(C)c1sccc1CO 271570a_100000694244_100009816922 [0,0,0,0,1,0|3,0,0]=4 806 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,0,0,0,1,0|1,0,2]=4 807 B10R1.39 C=Cc1ncsc1C(=O)C 271570a_100011290941_200010339033 [0,0,0,0,1,0|1,0,2]=4 808 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,0,0,0,1,0|2,0,0]=3 809 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200010339033_200025704644 [0,0,0,0,1,0|2,0,0]=3 810 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200025704644_200010339033 [0,0,0,0,1,0|2,0,0]=3 811 B10R1.39 CCC1C=CCN1C(=O)C 11a_100000730860_100015343762 [0,0,0,0,1,0|2,0,1]=4 812 B10R1.39 CCC1C=CCN1C(=O)C 1626a_100000730860_100015343762 [0,0,0,0,1,0|2,0,1]=4 813 B10R1.39 CCC1C=CCN1C(=O)C 240690a_100000730860_100015343762 [0,0,0,0,1,0|2,0,1]=4 814 B10R1.39 CCC1C=CCN1C(=O)C 527a_100000730860_100103153847 [0,0,0,0,1,0|2,0,1]=4 815 B10R1.39 CCn1ncnc1N(C)C 27a_100102631434_100009879425 [0,0,0,0,1,0|3,0,0]=4 816 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,0,0,0,1,0|2,0,0]=3 817 B10R1.39 CSc1ncsc1C(=O)C 62a_200000210301_200010339033 [0,0,0,0,1,0|2,0,0]=3 818 B10R1.39 CSc1ncsc1C(=O)C 62a_200010339033_200000210301 [0,0,0,0,1,0|2,0,0]=3 819 B12R1.75 C=Cc1ncccc1OC(=O)C 271570a_100011290941_200009815371 [0,0,0,0,0,1|1,0,2]=4 820 B12R1.75 CC(=Cc1cccnc1CN)C 271570a_100102525489_100020591323 [0,0,0,0,0,1|3,0,0]=4 821 B12R1.75 CC(=Cc1cccnc1CO)C 271570a_100102525489_100011996772 [0,0,0,0,0,1|3,0,0]=4 822 B12R1.75 CC(=Cc1ncccc1CN)C 271570a_100102525489_100015189234 [0,0,0,0,0,1|3,0,0]=4 823 B12R1.75 CC(=Cc1ncccc1CO)C 271570a_100102525489_100000748726 [0,0,0,0,0,1|3,0,0]=4 824 B12R1.75 CC(=Cc1nccnc1C#N)C 271570a_100102525489_100000040484 [0,0,0,0,0,1|2,0,1]=4 825 B12R1.75 CC(=Cc1nccnc1CN)C 271570a_100102525489_100000729963 [0,0,0,0,0,1|2,0,0]=3 826 B12R1.75 CC(=Cc1nccnc1CO)C 271570a_100102525489_100000057004 [0,0,0,0,0,1|2,0,0]=3 827 B12R1.75 CC(=Cc1nccnc1NN)C 271570a_100102525489_100000755098 [0,0,0,0,0,1|3,0,0]=4 828 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,0,0,0,0,1|3,0,0]=4 829 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,0,0,0,0,1|3,0,0]=4 830 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,0,0,0,0,1|3,0,0]=4 831 B12R1.75 CC(=O)Cc1cccnc1C#N 1458a_100000070787_100011768898 [0,0,0,0,0,1|2,0,1]=4 832 B12R1.75 CC(=O)Cc1ncccc1C#N 1458a_100000070787_100000099805 [0,0,0,0,0,1|2,0,1]=4 833 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,0,0,0,0,1|3,0,0]=4 834 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,0,0,0,0,1|3,0,0]=4 835 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,0,0,0,0,1|3,0,0]=4 836 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,0,0,0,0,1|3,0,0]=4 837 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,0,0,0,0,1|3,0,0]=4 838 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,0,0,0,0,1|2,0,0]=3 839 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,0,0,0,0,1|2,0,0]=3 840 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,0,0,0,0,1|3,0,0]=4 841 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,0,0,0,0,1|3,0,0]=4 842 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [0,0,0,0,0,1|2,0,0]=3 843 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [0,0,0,0,0,1|2,0,0]=3 844 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000210206_100000729963 [0,0,0,0,0,1|2,0,1]=4 845 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000729963_100000210206 [0,0,0,0,0,1|2,0,1]=4 846 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000057004_100000210206 [0,0,0,0,0,1|2,0,1]=4 847 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000210206_100000057004 [0,0,0,0,0,1|2,0,1]=4 848 B12R1.75 CCc1ccccc1C=C(C)C 271570a_100102525489_100011215823 [0,0,0,0,0,1|3,0,0]=4 849 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,0,0,0,0,1|2,0,0]=3 850 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,0,0,0,0,1|2,0,0]=3 851 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,0,0,0,0,1|2,0,0]=3 852 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,0,0,0,0,1|2,0,0]=3 853 B12R1.75 CCc1cncnc1C=C(C)C 271570a_100102525489_200000100055 [0,0,0,0,0,1|3,0,0]=4 854 B12R1.75 CCc1ncccc1C=C(C)C 271570a_100102525489_100009877225 [0,0,0,0,0,1|2,0,0]=3 855 B12R1.75 CCc1ncccc1SC(C)C 62a_100000210206_100009877225 [0,0,0,0,0,1|2,0,1]=4 856 B12R1.75 CCc1ncccc1SC(C)C 62a_100009877225_100000210206 [0,0,0,0,0,1|2,0,1]=4 857 B12R1.75 CCc1nccnc1C=C(C)C 271570a_100102525489_100011995844 [0,0,0,0,0,1|1,0,0]=2 858 B12R1.75 CCc1nccnc1NC(C)C 27a_100138425928_100011995844 [0,0,0,0,0,1|1,0,1]=3 859 B12R1.75 CCc1nccnc1SC(C)C 62a_100000210206_100011995844 [0,0,0,0,0,1|1,0,1]=3 860 B12R1.75 CCc1nccnc1SC(C)C 62a_100011995844_100000210206 [0,0,0,0,0,1|1,0,1]=3 861 B12R1.75 CCc1ncncc1C=C(C)C 271570a_100102525489_100009816992 [0,0,0,0,0,1|3,0,0]=4 862 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,0,0,0,0,1|3,0,0]=4 863 B12R1.75 CNc1cccnc1C=C(C)C 271570a_100102525489_200011806188 [0,0,0,0,0,1|3,0,0]=4 864 B12R1.75 CNc1ncccc1C=C(C)C 271570a_100102525489_100000700899 [0,0,0,0,0,1|3,0,0]=4 865 B12R1.75 CNc1nccnc1C=C(C)C 271570a_100102525489_100011529439 [0,0,0,0,0,1|2,0,0]=3 866 B12R1.75 CNc1nccnc1SC(C)C 62a_100000210206_100011529439 [0,0,0,0,0,1|2,0,1]=4 867 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,0,0,0,0,1|3,0,0]=4 868 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,0,0,0,0,1|3,0,0]=4 869 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,0,0,0,0,1|3,0,0]=4 870 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,0,0,0,0,1|3,0,0]=4 871 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,0,0,0,0,1|3,0,0]=4 872 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,0,0,0,0,1|3,0,0]=4 873 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,0,0,0,0,1|3,0,0]=4 874 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,0,0,0,0,1|3,0,0]=4 875 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,0,0,0,0,1|3,0,0]=4 876 B12R1.75 COc1cccnc1C=C(C)C 271570a_100102525489_100000690851 [0,0,0,0,0,1|3,0,0]=4 877 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,0,0,0,0,1|2,0,0]=3 878 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,0,0,0,0,1|2,0,0]=3 879 B12R1.75 COc1ncccc1C=C(C)C 271570a_100102525489_100000047025 [0,0,0,0,0,1|3,0,0]=4 880 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,0,0,0,0,1|2,0,0]=3 881 B12R1.75 COc1nccnc1C=C(C)C 271570a_100102525489_100000749998 [0,0,0,0,0,1|2,0,0]=3 882 B12R1.75 COc1nccnc1NC(C)C 27a_100138425928_100009858322 [0,0,0,0,0,1|2,0,1]=4 883 B12R1.75 COc1nccnc1SC(C)C 62a_100000210206_100000749998 [0,0,0,0,0,1|2,0,1]=4 884 B12R1.75 COc1nccnc1SC(C)C 62a_100009858322_100000210206 [0,0,0,0,0,1|2,0,1]=4 885 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,0,0,0,0,1|3,0,0]=4 886 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,0,0,0,0,1|3,0,0]=4 887 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,0,0,0,0,1|3,0,0]=4 888 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,0,0,0,0,1|3,0,0]=4 889 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,0,0,0,0,1|3,0,0]=4 890 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,0,0,0,0,1|3,0,0]=4 891 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,0,0,0,0,1|3,0,0]=4 892 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,0,0,0,0,1|3,0,0]=4 893 B12R1.75 CSc1ncccc1C=C(C)C 271570a_100102525489_100011465278 [0,0,0,0,0,1|3,0,0]=4 894 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [0,0,0,0,0,1|2,0,0]=3 895 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [0,0,0,0,0,1|2,0,0]=3 896 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [1,0,1,0,0,0|1,0,1]=4 897 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [1,0,1,0,0,0|1,0,1]=4 898 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [1,0,1,0,0,0|1,0,0]=3 899 B9R0.45 CC=CC=CC=NNCC 4a_100000756455_100000691131 [1,0,1,0,0,0|2,0,0]=4 900 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [2,0,0,0,0,0|1,0,1]=4 901 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [2,0,0,0,0,0|1,0,1]=4 902 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [2,0,0,0,0,0|0,0,1]=3 903 B9R1.15 C=Cc1nccnc1F 271570a_100011290941_200010125657 [2,0,0,0,0,0|1,0,1]=4 904 B9R1.15 C=Cc1nccnc1N 271570a_100011290941_100000747729 [2,0,0,0,0,0|1,0,1]=4 905 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [2,0,0,0,0,0|1,0,1]=4 906 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [2,0,0,0,0,0|0,0,1]=3 907 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [2,0,0,0,0,0|1,0,0]=3 908 B9R1.15 CNc1nccnc1F 27a_100102657272_200010125657 [2,0,0,0,0,0|2,0,0]=4 909 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [2,0,0,0,0,0|1,0,1]=4 910 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [2,0,0,0,0,0|2,0,0]=4 911 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [2,0,0,0,0,0|2,0,0]=4 912 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [2,0,0,0,0,0|1,0,0]=3 913 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [2,0,0,0,0,0|1,0,1]=4 914 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [2,0,0,0,0,0|2,0,0]=4 915 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [2,0,0,0,0,0|2,0,0]=4 916 B9R1.15 CSc1ncc[nH]c1=O 62a_200000210301_100000763361 [2,0,0,0,0,0|1,0,1]=4 917 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [2,0,0,0,0,0|2,0,0]=4 918 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [2,0,0,0,0,0|2,0,0]=4 919 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [2,0,0,0,0,0|1,0,0]=3 920 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [2,0,0,0,0,0|1,0,0]=3 921 B9R1.15 CSc1nccnc1Cl 62a_100010886584_200000210301 [2,0,0,0,0,0|2,0,0]=4 922 B9R1.15 CSc1nccnc1Cl 62a_200000210301_100010886584 [2,0,0,0,0,0|2,0,0]=4 923 B9R1.15 CSc1nccnc1F 62a_200000210301_200010125657 [2,0,0,0,0,0|2,0,0]=4 924 B9R1.15 CSc1nccnc1F 62a_200010125657_200000210301 [2,0,0,0,0,0|2,0,0]=4 925 B9R1.15 CSc1nccnc1N 62a_100000747729_200000210301 [2,0,0,0,0,0|2,0,0]=4 926 B9R1.15 CSc1nccnc1N 62a_200000210301_100000747729 [2,0,0,0,0,0|2,0,0]=4 927 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [2,0,0,0,0,0|2,0,0]=4 928 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [2,0,0,0,0,0|2,0,0]=4 929 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [2,0,0,0,0,0|2,0,0]=4 930 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [2,0,0,0,0,0|2,0,0]=4 931 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [2,0,0,0,0,0|2,0,0]=4 932 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [2,0,0,0,0,0|2,0,0]=4 933 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [2,0,0,0,0,0|1,0,0]=3 934 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [2,0,0,0,0,0|1,0,0]=3 935 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [2,0,0,0,0,0|1,0,0]=3 936 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [2,0,0,0,0,0|1,0,1]=4 937 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [2,0,0,0,0,0|2,0,0]=4 938 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [2,0,0,0,0,0|2,0,0]=4 939 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [2,0,0,0,0,0|1,0,1]=4 940 B9R1.15 [13CH3]Sc1ncc[nH]c1=O 62a_200025704644_100000763361 [2,0,0,0,0,0|1,0,1]=4 941 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_100010886584_200025704644 [2,0,0,0,0,0|2,0,0]=4 942 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_200025704644_100010886584 [2,0,0,0,0,0|2,0,0]=4 943 B9R1.15 [13CH3]Sc1nccnc1F 62a_200010125657_200025704644 [2,0,0,0,0,0|2,0,0]=4 944 B9R1.15 [13CH3]Sc1nccnc1F 62a_200025704644_200010125657 [2,0,0,0,0,0|2,0,0]=4 945 B9R1.15 [13CH3]Sc1nccnc1N 62a_100000747729_200025704644 [2,0,0,0,0,0|2,0,0]=4 946 B9R1.15 [13CH3]Sc1nccnc1N 62a_200025704644_100000747729 [2,0,0,0,0,0|2,0,0]=4 947 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [2,0,0,0,0,0|2,0,0]=4 948 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [2,0,0,0,0,0|2,0,0]=4 949 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [2,0,0,0,0,0|1,0,0]=3 950 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|2,0,0]=4 951 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [2,0,0,0,0,0|2,0,0]=4 952 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|2,0,0]=4 953 B11R0.148 CCC=CC=CC=NNC(=O)C 4a_100000189765_100103038579 [0,1,1,0,0,0|2,0,0]=4 954 B11R1.37 C=Cc1cc(cnc1CC)N 271570a_100011290941_100013085292 [1,1,0,0,0,0|1,0,1]=4 955 B11R1.37 C=Cc1ncc(nc1OC)Br 271570a_100011290941_100010214903 [1,1,0,0,0,0|1,0,1]=4 956 B11R1.37 C=Cc1ncc(nc1OC)N 271570a_100011290941_100010128448 [1,1,0,0,0,0|1,0,1]=4 957 B11R1.37 CCc1cc(ccc1C=O)O 271570a_203496583355_100010209654 [1,1,0,0,0,0|2,0,0]=4 958 B11R1.37 CCc1nc(ccc1OC)C 34a_100000718140_200000210301 [1,1,0,0,0,0|2,0,0]=4 959 B11R1.37 CCc1nc(ccc1OC)C 7a_100000718140_200000210301 [1,1,0,0,0,0|2,0,0]=4 960 B11R1.37 CCc1nc(ccc1O[13CH3])C 34a_100000718140_200025704644 [1,1,0,0,0,0|2,0,0]=4 961 B11R1.37 CCc1nc(ccc1O[13CH3])C 7a_100000718140_200025704644 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.37 CCc1ncc(cc1SC)N 62a_100013085292_200000210301 [1,1,0,0,0,0|2,0,0]=4 963 B11R1.37 CCc1ncc(cc1SC)N 62a_200000210301_100013085292 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_100013085292_200025704644 [1,1,0,0,0,0|2,0,0]=4 965 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_200025704644_100013085292 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.37 CNc1nc(ccc1C=O)F 27a_100102657272_100009846357 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.37 COc1cc(cnc1C=O)O 271570a_203496583355_100010246152 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.37 COc1nc(ccc1C=O)O 271570a_203496583355_100009864722 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.37 COc1nc(cnc1SC)Br 62a_100010214903_200000210301 [1,1,0,0,0,0|2,0,0]=4 970 B11R1.37 COc1nc(cnc1SC)Br 62a_200000210301_100010214903 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.37 COc1nc(cnc1SC)N 62a_100010128448_200000210301 [1,1,0,0,0,0|2,0,0]=4 972 B11R1.37 COc1nc(cnc1SC)N 62a_200000210301_100010128448 [1,1,0,0,0,0|2,0,0]=4 973 B11R1.37 COc1nc(cnc1S[13CH3])Br 62a_100010214903_200025704644 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.37 COc1nc(cnc1S[13CH3])Br 62a_200025704644_100010214903 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.37 COc1nc(cnc1S[13CH3])N 62a_100010128448_200025704644 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.37 COc1nc(cnc1S[13CH3])N 62a_200025704644_100010128448 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.37 COc1ncc(cc1C=O)O 271570a_203496583355_100009814609 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.37 COc1ncc(nc1OC)O 271570a_203496583355_100010132954 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.37 CSc1ccc(nc1C=O)C 62a_100010173661_200000210301 [1,1,0,0,0,0|2,0,0]=4 980 B11R1.37 CSc1ccc(nc1C=O)C 62a_200000210301_100010173661 [1,1,0,0,0,0|2,0,0]=4 981 B11R1.37 CSc1nc(ccc1C=O)C 62a_100000085379_200000210301 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.37 CSc1nc(ccc1C=O)C 62a_200000210301_100000085379 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.37 CSc1nc(ccc1C=O)F 62a_100009846357_200000210301 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.37 CSc1nc(ccc1C=O)F 62a_200000210301_100009846357 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.37 CSc1ncc(cc1C=O)C 62a_200000210301_100000050350 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.37 CSc1ncc(cc1C=O)F 62a_100000079965_200000210301 [1,1,0,0,0,0|2,0,0]=4 987 B11R1.37 CSc1ncc(cc1C=O)F 62a_200000210301_100000079965 [1,1,0,0,0,0|2,0,0]=4 988 B11R1.37 Cc1ccc(c(n1)C=O)S[13CH3] 62a_100010173661_200025704644 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.37 Cc1ccc(c(n1)C=O)S[13CH3] 62a_200025704644_100010173661 [1,1,0,0,0,0|2,0,0]=4 990 B11R1.37 Cc1ccc(c(n1)S[13CH3])C=O 62a_100000085379_200025704644 [1,1,0,0,0,0|2,0,0]=4 991 B11R1.37 Cc1ccc(c(n1)S[13CH3])C=O 62a_200025704644_100000085379 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.37 Cc1cnc(c(c1)C=O)S[13CH3] 62a_200025704644_100000050350 [1,1,0,0,0,0|2,0,0]=4 993 B11R1.37 [13CH3]Sc1nc(ccc1C=O)F 62a_100009846357_200025704644 [1,1,0,0,0,0|2,0,0]=4 994 B11R1.37 [13CH3]Sc1nc(ccc1C=O)F 62a_200025704644_100009846357 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.37 [13CH3]Sc1ncc(cc1C=O)F 62a_100000079965_200025704644 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.37 [13CH3]Sc1ncc(cc1C=O)F 62a_200025704644_100000079965 [1,1,0,0,0,0|2,0,0]=4 997 B11R1.41 C=C=Cc1cccnc1CC 271570a_100015277604_100009877225 [1,1,0,0,0,0|1,0,1]=4 998 B11R1.41 C=C=Cc1nccnc1CC 271570a_100015277604_100011995844 [1,1,0,0,0,0|0,0,1]=3 999 B11R1.41 C=C=Cc1nccnc1CN 271570a_100015277604_100000729963 [1,1,0,0,0,0|1,0,1]=4 1000 B11R1.41 C=C=Cc1nccnc1CO 271570a_100015277604_100000057004 [1,1,0,0,0,0|1,0,1]=4 1001 B11R1.41 C=C=Cc1nccnc1NC 271570a_100015277604_100011529439 [1,1,0,0,0,0|1,0,1]=4 1002 B11R1.41 C=C=Cc1nccnc1OC 271570a_100015277604_100000749998 [1,1,0,0,0,0|1,0,1]=4 1003 B11R1.41 C=Cc1cccnc1OCC 271570a_100011290941_100011465154 [1,1,0,0,0,0|1,0,1]=4 1004 B11R1.41 C=Cc1ncccc1CNC 271570a_100011290941_103496529121 [1,1,0,0,0,0|1,0,1]=4 1005 B11R1.41 C=Cc1ncccc1OCC 271570a_100011290941_100011597540 [1,1,0,0,0,0|1,0,1]=4 1006 B11R1.41 C=Cc1nccnc1OCC 271570a_100011290941_200010128176 [1,1,0,0,0,0|0,0,1]=3 1007 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [1,1,0,0,0,0|2,0,0]=4 1008 B11R1.41 CC=Cc1cccnc1C=O 271570a_100016259895_100011934733 [1,1,0,0,0,0|1,0,1]=4 1009 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [1,1,0,0,0,0|1,0,0]=3 1010 B11R1.41 CC=Cc1cccnc1CN 271570a_100016259895_100020591323 [1,1,0,0,0,0|2,0,0]=4 1011 B11R1.41 CC=Cc1cccnc1CO 271570a_100016259895_100011996772 [1,1,0,0,0,0|2,0,0]=4 1012 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [1,1,0,0,0,0|2,0,0]=4 1013 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.41 CC=Cc1cccnc1SC 271570a_100016259895_100011465278 [1,1,0,0,0,0|2,0,0]=4 1015 B11R1.41 CC=Cc1cncnc1CC 271570a_100016259895_100009816992 [1,1,0,0,0,0|2,0,0]=4 1016 B11R1.41 CC=Cc1ncccc1C=O 271570a_100016259895_100009816751 [1,1,0,0,0,0|1,0,1]=4 1017 B11R1.41 CC=Cc1ncccc1CN 271570a_100016259895_100015189234 [1,1,0,0,0,0|2,0,0]=4 1018 B11R1.41 CC=Cc1ncccc1CO 271570a_100016259895_100000748726 [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [1,1,0,0,0,0|2,0,0]=4 1021 B11R1.41 CC=Cc1nccnc1C#N 271570a_100016259895_100000040484 [1,1,0,0,0,0|1,0,1]=4 1022 B11R1.41 CC=Cc1nccnc1CC 271570a_100016259895_100011995844 [1,1,0,0,0,0|0,0,0]=2 1023 B11R1.41 CC=Cc1nccnc1CN 271570a_100016259895_100000729963 [1,1,0,0,0,0|1,0,0]=3 1024 B11R1.41 CC=Cc1nccnc1CO 271570a_100016259895_100000057004 [1,1,0,0,0,0|1,0,0]=3 1025 B11R1.41 CC=Cc1nccnc1NC 271570a_100016259895_100011529439 [1,1,0,0,0,0|1,0,0]=3 1026 B11R1.41 CC=Cc1nccnc1NN 271570a_100016259895_100000755098 [1,1,0,0,0,0|2,0,0]=4 1027 B11R1.41 CC=Cc1nccnc1OC 271570a_100016259895_100000749998 [1,1,0,0,0,0|1,0,0]=3 1028 B11R1.41 CC=Cc1ncncc1CC 271570a_100016259895_200000100055 [1,1,0,0,0,0|2,0,0]=4 1029 B11R1.41 CCNc1nccnc1C#N 27a_100015525214_100000040484 [1,1,0,0,0,0|1,0,1]=4 1030 B11R1.41 CCNc1nccnc1CC 27a_100015525214_100011995844 [1,1,0,0,0,0|0,0,1]=3 1031 B11R1.41 CCNc1nccnc1OC 27a_100015525214_100009858322 [1,1,0,0,0,0|1,0,0]=3 1032 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [1,1,0,0,0,0|2,0,0]=4 1034 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [1,1,0,0,0,0|2,0,0]=4 1038 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [1,1,0,0,0,0|2,0,0]=4 1039 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [1,1,0,0,0,0|2,0,0]=4 1040 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [1,1,0,0,0,0|2,0,0]=4 1041 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [1,1,0,0,0,0|2,0,0]=4 1043 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [1,1,0,0,0,0|2,0,0]=4 1044 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [1,1,0,0,0,0|2,0,0]=4 1045 B11R1.41 CCOc1nccnc1NC 27a_100102657272_200010128176 [1,1,0,0,0,0|1,0,0]=3 1046 B11R1.41 CCOc1nccnc1SC 62a_200000210301_200010128176 [1,1,0,0,0,0|1,0,0]=3 1047 B11R1.41 CCOc1nccnc1SC 62a_200010128176_200000210301 [1,1,0,0,0,0|1,0,0]=3 1048 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200010128176_200025704644 [1,1,0,0,0,0|1,0,0]=3 1049 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200025704644_200010128176 [1,1,0,0,0,0|1,0,0]=3 1050 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [1,1,0,0,0,0|2,0,0]=4 1051 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [1,1,0,0,0,0|2,0,0]=4 1052 B11R1.41 CCSc1cccnc1C=O 62a_100000210202_100011934733 [1,1,0,0,0,0|1,0,0]=3 1053 B11R1.41 CCSc1cccnc1C=O 62a_100011934733_100000210202 [1,1,0,0,0,0|1,0,0]=3 1054 B11R1.41 CCSc1cccnc1CC 62a_100000210202_100009877225 [1,1,0,0,0,0|1,0,1]=4 1055 B11R1.41 CCSc1cccnc1CC 62a_100009877225_100000210202 [1,1,0,0,0,0|1,0,1]=4 1056 B11R1.41 CCSc1cccnc1NC 62a_100000210202_100000700899 [1,1,0,0,0,0|2,0,0]=4 1057 B11R1.41 CCSc1cccnc1NC 62a_100000700899_100000210202 [1,1,0,0,0,0|2,0,0]=4 1058 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [1,1,0,0,0,0|2,0,0]=4 1059 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [1,1,0,0,0,0|2,0,0]=4 1060 B11R1.41 CCSc1cccnc1SC 62a_100000210202_100011465278 [1,1,0,0,0,0|2,0,0]=4 1061 B11R1.41 CCSc1cccnc1SC 62a_100011465278_100000210202 [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.41 CCSc1ncccc1C=O 62a_100000210202_100009816751 [1,1,0,0,0,0|1,0,0]=3 1063 B11R1.41 CCSc1ncccc1C=O 62a_100009816751_100000210202 [1,1,0,0,0,0|1,0,0]=3 1064 B11R1.41 CCSc1ncccc1NC 62a_100000210202_200011806188 [1,1,0,0,0,0|2,0,0]=4 1065 B11R1.41 CCSc1ncccc1OC 62a_100000210202_100000690851 [1,1,0,0,0,0|2,0,0]=4 1066 B11R1.41 CCSc1ncccc1OC 62a_100000767102_100000210202 [1,1,0,0,0,0|2,0,0]=4 1067 B11R1.41 CCSc1nccnc1C#N 62a_100000210202_100000040484 [1,1,0,0,0,0|1,0,1]=4 1068 B11R1.41 CCSc1nccnc1C=O 62a_100000051000_100000210202 [1,1,0,0,0,0|0,0,0]=2 1069 B11R1.41 CCSc1nccnc1C=O 62a_100000210202_100000051000 [1,1,0,0,0,0|0,0,0]=2 1070 B11R1.41 CCSc1nccnc1CC 62a_100000210202_100011995844 [1,1,0,0,0,0|0,0,1]=3 1071 B11R1.41 CCSc1nccnc1CC 62a_100011995844_100000210202 [1,1,0,0,0,0|0,0,1]=3 1072 B11R1.41 CCSc1nccnc1CN 62a_100000210202_100000729963 [1,1,0,0,0,0|1,0,1]=4 1073 B11R1.41 CCSc1nccnc1CN 62a_100000729963_100000210202 [1,1,0,0,0,0|1,0,1]=4 1074 B11R1.41 CCSc1nccnc1CO 62a_100000057004_100000210202 [1,1,0,0,0,0|0,0,2]=4 1075 B11R1.41 CCSc1nccnc1CO 62a_100000210202_100000057004 [1,1,0,0,0,0|0,0,2]=4 1076 B11R1.41 CCSc1nccnc1NC 62a_100000210202_100011529439 [1,1,0,0,0,0|1,0,0]=3 1077 B11R1.41 CCSc1nccnc1NN 62a_100000210202_100000755098 [1,1,0,0,0,0|2,0,0]=4 1078 B11R1.41 CCSc1nccnc1OC 62a_100000210202_100000749998 [1,1,0,0,0,0|1,0,0]=3 1079 B11R1.41 CCSc1nccnc1OC 62a_100009858322_100000210202 [1,1,0,0,0,0|1,0,0]=3 1080 B11R1.41 CCc1ncccc1SCF 62a_100009877225_100015361967 [1,1,0,0,0,0|2,0,0]=4 1081 B11R1.41 CCc1ncccc1SCF 62a_100015361967_100009877225 [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.41 CCc1nccnc1SCF 62a_100011995844_100015361967 [1,1,0,0,0,0|1,0,0]=3 1083 B11R1.41 CCc1nccnc1SCF 62a_100015361967_100011995844 [1,1,0,0,0,0|1,0,0]=3 1084 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [1,1,0,0,0,0|2,0,0]=4 1085 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [1,1,0,0,0,0|2,0,0]=4 1086 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [1,1,0,0,0,0|2,0,0]=4 1089 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [1,1,0,0,0,0|2,0,0]=4 1091 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [1,1,0,0,0,0|2,0,0]=4 1092 B11R1.41 CNCc1cccnc1SC 62a_103496529121_200000210301 [1,1,0,0,0,0|2,0,0]=4 1093 B11R1.41 CNCc1cccnc1SC 62a_200000210301_103496529121 [1,1,0,0,0,0|2,0,0]=4 1094 B11R1.41 CNCc1cccnc1S[13CH3] 62a_103496529121_200025704644 [1,1,0,0,0,0|2,0,0]=4 1095 B11R1.41 CNCc1cccnc1S[13CH3] 62a_200025704644_103496529121 [1,1,0,0,0,0|2,0,0]=4 1096 B11R1.41 CNCc1ncccc1OC 207a_100102657272_100011912573 [1,1,0,0,0,0|2,0,0]=4 1097 B11R1.41 CNCc1ncccc1OC 270004a_106832991635_100011912573 [1,1,0,0,0,0|2,0,0]=4 1098 B11R1.41 CNc1nccnc1SCF 62a_100015361967_100011529439 [1,1,0,0,0,0|2,0,0]=4 1099 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [1,1,0,0,0,0|2,0,0]=4 1100 B11R1.41 COCc1cccnc1OC 34a_100000717863_200000210301 [1,1,0,0,0,0|2,0,0]=4 1101 B11R1.41 COCc1cccnc1OC 34a_100138415774_100020631285 [1,1,0,0,0,0|2,0,0]=4 1102 B11R1.41 COCc1ncccc1OC 34a_100011998681_200000210301 [1,1,0,0,0,0|2,0,0]=4 1103 B11R1.41 COc1cccnc1CO[13CH3] 34a_100011998681_200025704644 [1,1,0,0,0,0|2,0,0]=4 1104 B11R1.41 COc1ncccc1CO[13CH3] 34a_100000717863_200025704644 [1,1,0,0,0,0|2,0,0]=4 1105 B11R1.41 COc1ncccc1CSC 62a_100020631285_200000210301 [1,1,0,0,0,0|2,0,0]=4 1106 B11R1.41 COc1ncccc1CSC 62a_200000210301_100020631285 [1,1,0,0,0,0|2,0,0]=4 1107 B11R1.41 COc1ncccc1CS[13CH3] 62a_100020631285_200025704644 [1,1,0,0,0,0|2,0,0]=4 1108 B11R1.41 COc1ncccc1CS[13CH3] 62a_200025704644_100020631285 [1,1,0,0,0,0|2,0,0]=4 1109 B11R1.41 COc1nccnc1SCF 62a_100009858322_100015361967 [1,1,0,0,0,0|2,0,0]=4 1110 B11R1.41 COc1nccnc1SCF 62a_100015361967_100000749998 [1,1,0,0,0,0|2,0,0]=4 1111 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [1,1,0,0,0,0|2,0,0]=4 1113 B11R1.41 NCc1nccnc1SCF 62a_100000729963_100015361967 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.41 NCc1nccnc1SCF 62a_100015361967_100000729963 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.41 O=Cc1cccnc1SCF 62a_100009816751_100015361967 [1,1,0,0,0,0|2,0,0]=4 1116 B11R1.41 O=Cc1cccnc1SCF 62a_100015361967_100009816751 [1,1,0,0,0,0|2,0,0]=4 1117 B11R1.41 O=Cc1ncccc1SCF 62a_100011934733_100015361967 [1,1,0,0,0,0|2,0,0]=4 1118 B11R1.41 O=Cc1ncccc1SCF 62a_100015361967_100011934733 [1,1,0,0,0,0|2,0,0]=4 1119 B11R1.41 O=Cc1nccnc1SCF 62a_100000051000_100015361967 [1,1,0,0,0,0|1,0,0]=3 1120 B11R1.41 O=Cc1nccnc1SCF 62a_100015361967_100000051000 [1,1,0,0,0,0|1,0,0]=3 1121 B11R1.41 OCc1nccnc1SCF 62a_100000057004_100015361967 [1,1,0,0,0,0|2,0,0]=4 1122 B11R1.41 OCc1nccnc1SCF 62a_100015361967_100000057004 [1,1,0,0,0,0|2,0,0]=4 1123 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [1,1,0,0,0,0|2,0,0]=4 1124 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.265 COc1nccc(c1C=O)O 271570a_203496583355_100010160771 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.265 CSc1nccc(c1C=O)N 62a_100000050385_200000210301 [1,1,0,0,0,0|2,0,0]=4 1127 B11R1.265 CSc1nccc(c1C=O)N 62a_200000210301_100000050385 [1,1,0,0,0,0|2,0,0]=4 1128 B11R1.265 CSc1nccc(c1C=O)O 62a_200010729673_200000210301 [1,1,0,0,0,0|2,0,0]=4 1129 B11R1.265 [13CH3]Sc1nccc(c1C=O)N 62a_100000050385_200025704644 [1,1,0,0,0,0|2,0,0]=4 1130 B11R1.265 [13CH3]Sc1nccc(c1C=O)N 62a_200025704644_100000050385 [1,1,0,0,0,0|2,0,0]=4 1131 B11R1.265 [13CH3]Sc1nccc(c1C=O)O 62a_200010729673_200025704644 [1,1,0,0,0,0|2,0,0]=4 1132 B11R1.156 C=C(C)c1c(ccnc1C)C 271570a_100000694244_100012000501 [1,1,0,0,0,0|2,0,0]=4 1133 B11R1.156 C=C(C)c1c(ccnc1C)N 271570a_100000694244_100010243816 [1,1,0,0,0,0|2,0,0]=4 1134 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [1,1,0,0,0,0|2,0,0]=4 1135 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [1,1,0,0,0,0|2,0,0]=4 1136 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [1,1,0,0,0,0|2,0,0]=4 1137 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [1,1,0,0,0,0|2,0,0]=4 1138 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1139 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [1,1,0,0,0,0|2,0,0]=4 1140 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [1,1,0,0,0,0|2,0,0]=4 1141 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [1,1,0,0,0,0|2,0,0]=4 1142 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [1,1,0,0,0,0|2,0,0]=4 1143 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [1,1,0,0,0,0|2,0,0]=4 1144 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [1,1,0,0,0,0|2,0,0]=4 1145 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [1,1,0,0,0,0|2,0,0]=4 1147 B11R1.159 C=C(C)c1nccc(c1C)C 271570a_100000694244_100009847204 [1,1,0,0,0,0|2,0,0]=4 1148 B11R1.159 C=C(C)c1nccc(c1C)F 271570a_100000694244_100009846374 [1,1,0,0,0,0|2,0,0]=4 1149 B11R1.159 C=C(C)c1nccc(c1C)N 271570a_100000694244_100009980296 [1,1,0,0,0,0|2,0,0]=4 1150 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [1,1,0,0,0,0|2,0,0]=4 1151 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [1,1,0,0,0,0|2,0,0]=4 1152 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [1,1,0,0,0,0|2,0,0]=4 1153 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [1,1,0,0,0,0|2,0,0]=4 1154 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [1,1,0,0,0,0|2,0,0]=4 1155 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [1,1,0,0,0,0|2,0,0]=4 1156 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [1,1,0,0,0,0|2,0,0]=4 1157 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [1,1,0,0,0,0|2,0,0]=4 1158 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [1,1,0,0,0,0|2,0,0]=4 1159 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [1,1,0,0,0,0|2,0,0]=4 1160 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [1,1,0,0,0,0|2,0,0]=4 1161 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [1,1,0,0,0,0|2,0,0]=4 1162 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [1,1,0,0,0,0|2,0,0]=4 1163 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [1,1,0,0,0,0|2,0,0]=4 1164 B11R1.166 C=C(C)c1ccc(nc1C)C 271570a_100000694244_100009813853 [1,1,0,0,0,0|2,0,0]=4 1165 B11R1.166 C=C(C)c1ccc(nc1C)Cl 271570a_100000694244_100000062408 [1,1,0,0,0,0|2,0,0]=4 1166 B11R1.166 C=C(C)c1ccc(nc1C)F 271570a_100000694244_100000688911 [1,1,0,0,0,0|2,0,0]=4 1167 B11R1.166 C=C(C)c1ccc(nc1C)N 271570a_100000694244_100000013003 [1,1,0,0,0,0|2,0,0]=4 1168 B11R1.166 C=C(C)c1ccc(nc1C)O 271570a_100000694244_100000691680 [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.166 C=C(C)c1ncc(cc1C)Br 271570a_100000694244_100012353652 [1,1,0,0,0,0|2,0,0]=4 1170 B11R1.166 C=C(C)c1ncc(cc1C)C 271570a_100000694244_100009864548 [1,1,0,0,0,0|2,0,0]=4 1171 B11R1.166 C=C(C)c1ncc(cc1C)F 271570a_100000694244_100009817009 [1,1,0,0,0,0|2,0,0]=4 1172 B11R1.166 C=C(C)c1ncc(cc1C)N 271570a_100000694244_100000761747 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.166 C=C(C)c1ncc(cc1C)O 271570a_100000694244_100012000486 [1,1,0,0,0,0|2,0,0]=4 1174 B11R1.166 C=C(C)c1ncc(nc1C)C 271570a_100000694244_100000065684 [1,1,0,0,0,0|1,0,0]=3 1175 B11R1.166 C=C(C)c1ncc(nc1C)N 271570a_100000694244_100009818570 [1,1,0,0,0,0|1,0,0]=3 1176 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [1,1,0,0,0,0|2,0,0]=4 1177 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,1,0,0,0,0|2,0,0]=4 1178 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [1,1,0,0,0,0|2,0,0]=4 1179 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [1,1,0,0,0,0|2,0,0]=4 1181 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|2,0,0]=4 1183 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [1,1,0,0,0,0|2,0,0]=4 1184 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [1,1,0,0,0,0|2,0,0]=4 1185 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [1,1,0,0,0,0|2,0,0]=4 1186 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [1,1,0,0,0,0|2,0,0]=4 1187 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [1,1,0,0,0,0|2,0,0]=4 1188 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|2,0,0]=4 1189 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,1,0,0,0,0|2,0,0]=4 1190 B11R1.167 C=C(C)c1cc(cnc1C)Br 271570a_100000694244_200010090566 [1,1,0,0,0,0|2,0,0]=4 1191 B11R1.167 C=C(C)c1cc(cnc1C)C 271570a_100000694244_100009817436 [1,1,0,0,0,0|2,0,0]=4 1192 B11R1.167 C=C(C)c1cc(cnc1C)F 271570a_100000694244_100009860710 [1,1,0,0,0,0|2,0,0]=4 1193 B11R1.167 C=C(C)c1cc(cnc1C)N 271570a_100000694244_100011998591 [1,1,0,0,0,0|2,0,0]=4 1194 B11R1.167 C=C(C)c1cc(cnc1C)O 271570a_100000694244_100009819603 [1,1,0,0,0,0|2,0,0]=4 1195 B11R1.167 C=C(C)c1nc(ccc1C)C 271570a_100000694244_100009854376 [1,1,0,0,0,0|2,0,0]=4 1196 B11R1.167 C=C(C)c1nc(ccc1C)N 271570a_100000694244_100000126722 [1,1,0,0,0,0|2,0,0]=4 1197 B11R1.167 C=C(C)c1nc(cnc1C)C 271570a_100000694244_100000211308 [1,1,0,0,0,0|1,0,0]=3 1198 B11R1.167 C=C(C)c1nc(cnc1C)N 271570a_100000694244_100009877824 [1,1,0,0,0,0|1,0,0]=3 1199 B11R1.167 C=C(C)c1nc(cnc1N)Br 271570a_100000694244_100010988662 [1,1,0,0,0,0|2,0,0]=4 1200 B11R1.167 C=C(C)c1nc(cnc1N)C 271570a_100000694244_100009819049 [1,1,0,0,0,0|2,0,0]=4 1201 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [1,1,0,0,0,0|2,0,0]=4 1202 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1203 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [1,1,0,0,0,0|2,0,0]=4 1204 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [1,1,0,0,0,0|2,0,0]=4 1205 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [1,1,0,0,0,0|2,0,0]=4 1206 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [1,1,0,0,0,0|2,0,0]=4 1207 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [1,1,0,0,0,0|2,0,0]=4 1208 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [1,1,0,0,0,0|1,0,0]=3 1209 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [1,1,0,0,0,0|2,0,0]=4 1210 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [1,1,0,0,0,0|2,0,0]=4 1211 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [1,1,0,0,0,0|2,0,0]=4 1213 B11R1.167 CC(=O)c1nc(ncc1C)O 271570a_203496583355_100010687370 [1,1,0,0,0,0|2,0,0]=4 1214 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1215 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [1,1,0,0,0,0|2,0,0]=4 1216 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [1,1,0,0,0,0|2,0,0]=4 1217 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [1,1,0,0,0,0|2,0,0]=4 1218 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [1,1,0,0,0,0|2,0,0]=4 1219 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [1,1,0,0,0,0|2,0,0]=4 1220 B11R1.167 Cc1cnc(c(n1)N(C)C)C 27a_100102631434_100000211308 [1,1,0,0,0,0|2,0,0]=4 1221 B11R1.167 NC(=O)c1nc(cnc1N)O 271570a_203496583355_100010179960 [1,1,0,0,0,0|2,0,0]=4 1222 B11R1.167 NC(=O)c1nc(cnc1O)O 271570a_203496583355_100010272261 [1,1,0,0,0,0|2,0,0]=4 1223 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|2,0,0]=4 1224 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,1,0,0,0,0|2,0,0]=4 1225 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,1,0,0,0,0|2,0,0]=4 1226 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,1,0,0,0,0|2,0,0]=4 1227 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,1,0,0,0,0|2,0,0]=4 1228 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [1,1,0,0,0,0|2,0,0]=4 1229 B11R1.222 CNC(C)c1nccnc1C 269862a_106832991636_100000702048 [1,1,0,0,0,0|1,0,1]=4 1230 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [1,1,0,0,0,0|2,0,0]=4 1231 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [1,1,0,0,0,0|2,0,0]=4 1232 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [1,1,0,0,0,0|1,0,0]=3 1233 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [1,1,0,0,0,0|2,0,0]=4 1234 B11R1.49 C=C(C)c1cn(nc1CC)C 271570a_100000694244_100012396458 [0,1,0,0,1,0|2,0,0]=4 1235 B11R1.59 COC(=O)c1[nH]ccc1OC 34a_100000131702_200000210301 [0,1,0,0,1,0|1,0,1]=4 1236 B11R1.59 COC(=O)c1[nH]ccc1O[13CH3] 34a_100000131702_200025704644 [0,1,0,0,1,0|1,0,1]=4 1237 B11R1.59 COC(=O)c1[nH]ccc1SC 62a_200000210301_100102525103 [0,1,0,0,1,0|1,0,1]=4 1238 B11R1.59 COC(=O)c1[nH]ccc1S[13CH3] 62a_200025704644_100102525103 [0,1,0,0,1,0|1,0,1]=4 1239 B11R1.59 COC(=O)c1[nH]cnc1SC 62a_200000210301_100010290838 [0,1,0,0,1,0|1,0,1]=4 1240 B11R1.59 COC(=O)c1[nH]cnc1S[13CH3] 62a_200025704644_100010290838 [0,1,0,0,1,0|1,0,1]=4 1241 B11R1.59 COC(=O)c1ccoc1SC 62a_200000210301_100011935261 [0,1,0,0,1,0|2,0,0]=4 1242 B11R1.59 COC(=O)c1ccoc1S[13CH3] 62a_200025704644_100011935261 [0,1,0,0,1,0|2,0,0]=4 1243 B11R1.59 COC(=O)c1ccsc1SC 62a_100009822520_200000210301 [0,1,0,0,1,0|2,0,0]=4 1244 B11R1.59 COC(=O)c1ccsc1SC 62a_200000210301_100009822520 [0,1,0,0,1,0|2,0,0]=4 1245 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_100009822520_200025704644 [0,1,0,0,1,0|2,0,0]=4 1246 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_200025704644_100009822520 [0,1,0,0,1,0|2,0,0]=4 1247 B11R1.59 COC(=O)c1ncsc1SC 62a_100009816836_200000210301 [0,1,0,0,1,0|2,0,0]=4 1248 B11R1.59 COC(=O)c1ncsc1SC 62a_200000210301_100009816836 [0,1,0,0,1,0|2,0,0]=4 1249 B11R1.59 COC(=O)c1ncsc1S[13CH3] 62a_100009816836_200025704644 [0,1,0,0,1,0|2,0,0]=4 1250 B11R1.59 COC(=O)c1ncsc1S[13CH3] 62a_200025704644_100009816836 [0,1,0,0,1,0|2,0,0]=4 1251 B11R1.59 COC(=O)c1nsnc1SC 62a_200000210301_200010229606 [0,1,0,0,1,0|2,0,0]=4 1252 B11R1.59 COC(=O)c1nsnc1SC 62a_200010229606_200000210301 [0,1,0,0,1,0|2,0,0]=4 1253 B11R1.59 COC(=O)c1nsnc1S[13CH3] 62a_200010229606_200025704644 [0,1,0,0,1,0|2,0,0]=4 1254 B11R1.59 COC(=O)c1nsnc1S[13CH3] 62a_200025704644_200010229606 [0,1,0,0,1,0|2,0,0]=4 1255 B11R1.59 COC(=O)c1occc1SC 62a_200000210301_100012676306 [0,1,0,0,1,0|2,0,0]=4 1256 B11R1.59 COC(=O)c1occc1S[13CH3] 62a_200025704644_100012676306 [0,1,0,0,1,0|2,0,0]=4 1257 B11R1.59 COC(=O)c1sccc1OC 7a_100000043449_200000210301 [0,1,0,0,1,0|2,0,0]=4 1258 B11R1.59 COC(=O)c1sccc1O[13CH3] 7a_100000043449_200025704644 [0,1,0,0,1,0|2,0,0]=4 1259 B11R1.59 COC(=O)c1sccc1SC 62a_200000210301_100000730364 [0,1,0,0,1,0|2,0,0]=4 1260 B11R1.59 COC(=O)c1sccc1S[13CH3] 62a_200025704644_100000730364 [0,1,0,0,1,0|2,0,0]=4 1261 B11R1.59 COC(=O)c1scnc1SC 62a_200000210301_100013370767 [0,1,0,0,1,0|2,0,0]=4 1262 B11R1.59 COC(=O)c1scnc1S[13CH3] 62a_200025704644_100013370767 [0,1,0,0,1,0|2,0,0]=4 1263 B11R1.178 C=C(C)c1ccnn1C(C)C 271570a_100000694244_100010264481 [0,1,0,0,1,0|2,0,0]=4 1264 B11R1.178 C=C(C)c1ccsc1C(=O)C 271570a_100000694244_100000738688 [0,1,0,0,1,0|1,0,1]=4 1265 B11R1.178 C=C(C)c1nccn1C(C)C 271570a_100000694244_100009820211 [0,1,0,0,1,0|2,0,0]=4 1266 B11R1.178 C=C(C)c1ncnn1C(C)C 271570a_100000694244_100009989917 [0,1,0,0,1,0|2,0,0]=4 1267 B11R1.178 C=C(C)c1ncsc1C(=O)C 271570a_100000694244_200010339033 [0,1,0,0,1,0|1,0,1]=4 1268 B11R1.178 CC(=O)c1sccc1C(F)F 1458a_100009926068_200000210301 [0,1,0,0,1,0|2,0,0]=4 1269 B11R1.178 [13CH3]C(=O)c1sccc1C(F)F 1458a_100009926068_200025704644 [0,1,0,0,1,0|2,0,0]=4 1270 B11R1.193 C=C(C)c1ccsc1CNC 271570a_100000694244_100000767120 [0,1,0,0,1,0|2,0,0]=4 1271 B11R1.193 C=C(C)c1sccc1CNC 271570a_100000694244_100009817074 [0,1,0,0,1,0|2,0,0]=4 1272 B11R1.193 CC(=O)c1sccc1SCF 62a_100000738688_100015361967 [0,1,0,0,1,0|2,0,0]=4 1273 B11R1.193 CC(=O)c1scnc1SCF 62a_100015361967_200010339033 [0,1,0,0,1,0|2,0,0]=4 1274 B11R1.193 CC(=O)c1scnc1SCF 62a_200010339033_100015361967 [0,1,0,0,1,0|2,0,0]=4 1275 B11R1.193 CC=Cc1ccsc1C(=O)C 271570a_100016259895_100000738688 [0,1,0,0,1,0|1,0,1]=4 1276 B11R1.193 CC=Cc1ncsc1C(=O)C 271570a_100016259895_200010339033 [0,1,0,0,1,0|1,0,1]=4 1277 B11R1.193 CCSc1ccsc1C(=O)C 62a_100000738688_100000210202 [0,1,0,0,1,0|1,0,0]=3 1278 B11R1.193 CCSc1ncsc1C(=O)C 62a_100000210202_200010339033 [0,1,0,0,1,0|1,0,0]=3 1279 B11R1.193 CCSc1ncsc1C(=O)C 62a_200010339033_100000210202 [0,1,0,0,1,0|1,0,0]=3 1280 B13R1.51 CC(=O)Nc1ncc(cc1S[13CH3])C 62a_200025704644_200009816786 [0,1,0,0,0,1|2,0,0]=4 1281 B13R1.51 CCc1cc(ccc1NC(=O)C)Br 11a_100000686106_100015343762 [0,1,0,0,0,1|2,0,0]=4 1282 B13R1.51 CCc1cc(ccc1NC(=O)C)Br 1626a_100000686106_100015343762 [0,1,0,0,0,1|2,0,0]=4 1283 B13R1.51 CCc1cc(ccc1NC(=O)C)Br 22a_100000686106_100000070787 [0,1,0,0,0,1|2,0,0]=4 1284 B13R1.51 CCc1cc(ccc1NC(=O)C)Br 527a_100000686106_100103153847 [0,1,0,0,0,1|2,0,0]=4 1285 B13R1.51 CCc1cc(ccc1NC(=O)C)Cl 11a_100012017146_100015343762 [0,1,0,0,0,1|2,0,0]=4 1286 B13R1.51 CCc1cc(ccc1NC(=O)C)Cl 1626a_100012017146_100015343762 [0,1,0,0,0,1|2,0,0]=4 1287 B13R1.51 CCc1cc(ccc1NC(=O)C)Cl 22a_100012017146_100000070787 [0,1,0,0,0,1|2,0,0]=4 1288 B13R1.51 CCc1cc(ccc1NC(=O)C)I 11a_100000014069_100015343762 [0,1,0,0,0,1|2,0,0]=4 1289 B13R1.51 CCc1cc(ccc1NC(=O)C)I 1626a_100000014069_100015343762 [0,1,0,0,0,1|2,0,0]=4 1290 B13R1.51 CCc1cc(ccc1NC(=O)C)I 22a_100000014069_100000070787 [0,1,0,0,0,1|2,0,0]=4 1291 B13R1.51 CCc1cc(ccc1NC(=O)C)I 527a_100000014069_100103153847 [0,1,0,0,0,1|2,0,0]=4 1292 B13R1.51 COc1nc(ccc1CC(=O)C)Br 1458a_100000070787_100016029037 [0,1,0,0,0,1|2,0,0]=4 1293 B13R1.51 COc1nc(cnc1C=C(C)C)Br 271570a_100102525489_100010214903 [0,1,0,0,0,1|2,0,0]=4 1294 B13R1.51 COc1nc(cnc1C=C(C)C)N 271570a_100102525489_100010128448 [0,1,0,0,0,1|2,0,0]=4 1295 B13R1.51 CSc1cc(cnc1NC(=O)C)C 62a_200000210301_200009816786 [0,1,0,0,0,1|2,0,0]=4 1296 B13R1.89 CC(=C(C)c1nccnc1CN)C 271570a_200000049429_100000729963 [0,1,0,0,0,1|2,0,0]=4 1297 B13R1.89 CC(=C(C)c1nccnc1CO)C 271570a_200000049429_100000057004 [0,1,0,0,0,1|2,0,0]=4 1298 B13R1.89 CCc1ncccc1C(=C(C)C)C 271570a_200000049429_100009877225 [0,1,0,0,0,1|2,0,0]=4 1299 B13R1.89 CCc1nccnc1C(=C(C)C)C 271570a_200000049429_100011995844 [0,1,0,0,0,1|1,0,0]=3 1300 B13R1.89 CCc1nccnc1N(C)C(C)C 27a_200000211004_100011995844 [0,1,0,0,0,1|1,0,1]=4 1301 B13R1.89 CNc1nccnc1C(=C(C)C)C 271570a_200000049429_100011529439 [0,1,0,0,0,1|2,0,0]=4 1302 B13R1.89 COc1nccnc1C(=C(C)C)C 271570a_200000049429_100000749998 [0,1,0,0,0,1|2,0,0]=4 1303 B13R1.91 C#CC(C)Nc1nccnc1CC 27a_100000707721_100011995844 [0,1,0,0,0,1|1,0,1]=4 1304 B13R1.91 C#CC(C)Sc1nccnc1CC 62a_200000035995_100011995844 [0,1,0,0,0,1|1,0,1]=4 1305 B13R1.91 C=CC(C)Sc1nccnc1CC 62a_100011215867_100011995844 [0,1,0,0,0,1|1,0,1]=4 1306 B13R1.91 CCC(=O)Cc1cccnc1OC 1458a_100000210414_100020631285 [0,1,0,0,0,1|2,0,0]=4 1307 B13R1.91 CCC(=O)Nc1ccccc1CC 11a_100000212081_100000210414 [0,1,0,0,0,1|2,0,0]=4 1308 B13R1.91 CCC(=O)Nc1ccccc1CC 1626a_100000212081_100000210414 [0,1,0,0,0,1|2,0,0]=4 1309 B13R1.91 CCC(=O)Nc1ccccc1CC 22a_100000212081_100000210414 [0,1,0,0,0,1|2,0,0]=4 1310 B13R1.91 CCC(=O)Nc1ccccc1CC 527a_100000212081_100000210414 [0,1,0,0,0,1|2,0,0]=4 1311 B13R1.91 CCc1ccccc1NC(=O)CO 22a_100000212081_100000210174 [0,1,0,0,0,1|2,0,0]=4 1312 B13R1.91 CCc1ccccc1NC(=O)CO 527a_100000212081_100000210174 [0,1,0,0,0,1|2,0,0]=4 1313 B13R1.91 CCc1ccccc1NC(=O)NC 2430a_100000212081_100102657272 [0,1,0,0,0,1|2,0,0]=4 1314 B13R1.91 CCc1nccnc1N[C@H](C)CF 27a_100102880703_100011995844 [0,1,0,0,0,1|1,0,1]=4 1315 B13R1.91 CCc1nccnc1N[C@H](C)CO 27a_100000737577_100011995844 [0,1,0,0,0,1|0,0,2]=4 1316 B13R1.91 CCc1nccnc1SC(C)C#N 62a_100000703298_100011995844 [0,1,0,0,0,1|1,0,1]=4 1317 B13R1.91 CCc1nccnc1SC(C)C#N 62a_100011995844_100000703298 [0,1,0,0,0,1|1,0,1]=4 1318 B13R1.91 CCc1nccnc1SC(C)CC 62a_100000758301_100011995844 [0,1,0,0,0,1|1,0,1]=4 1319 B13R1.91 CCc1nccnc1SC(C)CC 62a_100011995844_100000758301 [0,1,0,0,0,1|1,0,1]=4 1320 B13R1.91 CCc1nccnc1SC(C)CO 62a_100012180447_100011995844 [0,1,0,0,0,1|0,0,2]=4 1321 B13R1.91 CCc1nccnc1SC(C)OC 62a_100009879195_100011995844 [0,1,0,0,0,1|0,0,2]=4 1322 B13R1.91 CCc1nccnc1SC(C)OC 62a_100011995844_100009879195 [0,1,0,0,0,1|0,0,2]=4 1323 B13R1.91 CCc1nccnc1S[C@H](C)CO 62a_100011995844_100016084084 [0,1,0,0,0,1|0,0,2]=4 1324 B13R1.91 CCc1nccnc1S[C@H](C)CO 62a_100016084084_100011995844 [0,1,0,0,0,1|0,0,2]=4 1325 B13R1.91 COC(=O)Cc1cccnc1SC 62a_100010293180_200000210301 [0,1,0,0,0,1|2,0,0]=4 1326 B13R1.91 COC(=O)Cc1cccnc1SC 62a_200000210301_100010293180 [0,1,0,0,0,1|2,0,0]=4 1327 B13R1.91 COC(=O)Cc1cccnc1S[13CH3] 62a_100010293180_200025704644 [0,1,0,0,0,1|2,0,0]=4 1328 B13R1.91 COC(=O)Cc1cccnc1S[13CH3] 62a_200025704644_100010293180 [0,1,0,0,0,1|2,0,0]=4 1329 B13R1.91 COC(=O)Cc1ncccc1SC 62a_100012347948_200000210301 [0,1,0,0,0,1|2,0,0]=4 1330 B13R1.91 COC(=O)Cc1ncccc1SC 62a_200000210301_100012347948 [0,1,0,0,0,1|2,0,0]=4 1331 B13R1.91 COC(=O)Cc1ncccc1S[13CH3] 62a_100012347948_200025704644 [0,1,0,0,0,1|2,0,0]=4 1332 B13R1.91 COC(=O)Cc1ncccc1S[13CH3] 62a_200025704644_100012347948 [0,1,0,0,0,1|2,0,0]=4 1333 B13R1.91 COc1ncccc1CC(=O)CO 1458a_100000210174_100020631285 [0,1,0,0,0,1|2,0,0]=4 1334 B13R1.115 COc1c(ccnc1CC(=O)C)Cl 1458a_100000070787_100015371371 [0,1,0,0,0,1|2,0,0]=4 1335 B13R1.380 CC(=O)Nc1ccccc1CCO 22a_100011215289_100000070787 [0,1,0,0,0,1|2,0,0]=4 1336 B13R1.380 CC(=O)Nc1ccccc1CCO 527a_100011215289_100103153847 [0,1,0,0,0,1|2,0,0]=4 1337 B13R1.380 CC(=O)Nc1ccccc1CO[13CH3] 34a_100000192217_200025704644 [0,1,0,0,0,1|2,0,0]=4 1338 B13R1.380 CC(=O)Nc1ccccc1CO[13CH3] 7a_100000192217_200025704644 [0,1,0,0,0,1|2,0,0]=4 1339 B13R1.380 CC(=O)Nc1ncccc1OCF 34a_200000022013_100015361967 [0,1,0,0,0,1|2,0,0]=4 1340 B13R1.380 CC(=O)Nc1ncccc1OCF 7a_200000022013_100015361967 [0,1,0,0,0,1|2,0,0]=4 1341 B13R1.380 CC(=O)Oc1cccnc1SCF 62a_100015361967_200009815371 [0,1,0,0,0,1|2,0,0]=4 1342 B13R1.380 CC(=O)Oc1cccnc1SCF 62a_200009815371_100015361967 [0,1,0,0,0,1|2,0,0]=4 1343 B13R1.380 CC=Cc1ncccc1OC(=O)C 271570a_100016259895_200009815371 [0,1,0,0,0,1|1,0,1]=4 1344 B13R1.380 CCCc1ccccc1NC(=O)C 11a_100000737634_100015343762 [0,1,0,0,0,1|2,0,0]=4 1345 B13R1.380 CCCc1ccccc1NC(=O)C 1626a_100000737634_100015343762 [0,1,0,0,0,1|2,0,0]=4 1346 B13R1.380 CCCc1ccccc1NC(=O)C 22a_100000737634_100000070787 [0,1,0,0,0,1|2,0,0]=4 1347 B13R1.380 CCCc1ccccc1NC(=O)C 527a_100000737634_100103153847 [0,1,0,0,0,1|2,0,0]=4 1348 B13R1.380 CCNc1ccccc1NC(=O)C 34a_100011193560_100000210202 [0,1,0,0,0,1|2,0,0]=4 1349 B13R1.380 CCOc1ccccc1CC(=O)C 1458a_100011247627_200000210301 [0,1,0,0,0,1|2,0,0]=4 1350 B13R1.380 CCOc1ccccc1CC(=O)[13CH3] 1458a_100011247627_200025704644 [0,1,0,0,0,1|2,0,0]=4 1351 B13R1.380 CCOc1ccccc1NC(=O)C 11a_100000211218_100015343762 [0,1,0,0,0,1|2,0,0]=4 1352 B13R1.380 CCOc1ccccc1NC(=O)C 1626a_100000211218_100015343762 [0,1,0,0,0,1|2,0,0]=4 1353 B13R1.380 CCOc1ccccc1NC(=O)C 22a_100000211218_100000070787 [0,1,0,0,0,1|2,0,0]=4 1354 B13R1.380 CCOc1ccccc1NC(=O)C 34a_100000185124_100000210202 [0,1,0,0,0,1|2,0,0]=4 1355 B13R1.380 CCOc1ccccc1NC(=O)C 7a_100000185124_100000210202 [0,1,0,0,0,1|2,0,0]=4 1356 B13R1.380 CCOc1cccnc1C=C(C)C 271570a_100102525489_100011597540 [0,1,0,0,0,1|2,0,0]=4 1357 B13R1.380 CCOc1cccnc1NC(=O)C 34a_200000022013_100000210202 [0,1,0,0,0,1|1,0,0]=3 1358 B13R1.380 CCOc1cccnc1NC(=O)C 7a_200000022013_100000210202 [0,1,0,0,0,1|1,0,0]=3 1359 B13R1.380 CCOc1ncccc1C=C(C)C 271570a_100102525489_100011465154 [0,1,0,0,0,1|2,0,0]=4 1360 B13R1.380 CCOc1nccnc1C=C(C)C 271570a_100102525489_200010128176 [0,1,0,0,0,1|1,0,0]=3 1361 B13R1.380 CCOc1nccnc1NC(C)C 27a_100138425928_200010128176 [0,1,0,0,0,1|1,0,1]=4 1362 B13R1.380 CCOc1nccnc1SC(C)C 62a_100000210206_200010128176 [0,1,0,0,0,1|1,0,1]=4 1363 B13R1.380 CCOc1nccnc1SC(C)C 62a_200010128176_100000210206 [0,1,0,0,0,1|1,0,1]=4 1364 B13R1.380 CCSc1ccccc1CC(=O)C 62a_100000210202_100011350739 [0,1,0,0,0,1|2,0,0]=4 1365 B13R1.380 CCSc1ccccc1CC(=O)C 62a_100011350739_100000210202 [0,1,0,0,0,1|2,0,0]=4 1366 B13R1.380 CCSc1ccccc1NC(=O)C 11a_100011223125_100015343762 [0,1,0,0,0,1|2,0,0]=4 1367 B13R1.380 CCSc1ccccc1NC(=O)C 1626a_100011223125_100015343762 [0,1,0,0,0,1|2,0,0]=4 1368 B13R1.380 CCSc1ccccc1NC(=O)C 22a_100011223125_100000070787 [0,1,0,0,0,1|2,0,0]=4 1369 B13R1.380 CCSc1ccccc1NC(=O)C 62a_100000210202_100000153524 [0,1,0,0,0,1|2,0,0]=4 1370 B13R1.380 CCSc1ccccc1OC(=O)C 62a_100000051690_100000210202 [0,1,0,0,0,1|2,0,0]=4 1371 B13R1.380 CCSc1ccccc1OC(=O)C 62a_100000210202_100000051690 [0,1,0,0,0,1|2,0,0]=4 1372 B13R1.380 CCSc1ncccc1OC(=O)C 62a_100000210202_200009815371 [0,1,0,0,0,1|1,0,0]=3 1373 B13R1.380 CCSc1ncccc1OC(=O)C 62a_200009815371_100000210202 [0,1,0,0,0,1|1,0,0]=3 1374 B13R1.380 CNCc1ccccc1OC(=O)C 270004a_106832991635_100009864558 [0,1,0,0,0,1|2,0,0]=4 1375 B13R1.380 CNCc1cccnc1C=C(C)C 271570a_100102525489_103496529121 [0,1,0,0,0,1|2,0,0]=4 1376 B13R1.380 COCc1ccccc1NC(=O)C 34a_100000192217_200000210301 [0,1,0,0,0,1|2,0,0]=4 1377 B13R1.380 COCc1ccccc1NC(=O)C 7a_100000192217_200000210301 [0,1,0,0,0,1|2,0,0]=4 1378 B13R1.589 C=C(C)c1ncccc1OC(=O)C 271570a_100000694244_200009815371 [0,1,0,0,0,1|1,0,1]=4 1379 B13R1.589 CC(=Cc1cccnc1C(C)N)C 271570a_100102525489_100159271932 [0,1,0,0,0,1|2,0,0]=4 1380 B13R1.589 CC(=Cc1cccnc1[C@H](C)O)C 271570a_100102525489_100013325542 [0,1,0,0,0,1|2,0,0]=4 1381 B13R1.589 CC(=Cc1ncccc1C(C)C)C 271570a_100102525489_200010382935 [0,1,0,0,0,1|2,0,0]=4 1382 B13R1.589 CC(=Cc1ncccc1C(C)O)C 271570a_100102525489_100009865335 [0,1,0,0,0,1|2,0,0]=4 1383 B13R1.589 CC(=Cc1nccnc1N(C)C)C 271570a_100102525489_100000703087 [0,1,0,0,0,1|2,0,0]=4 1384 B13R1.589 CC(=O)Cc1ncccc1C(C)C 1458a_100000070787_200134614246 [0,1,0,0,0,1|1,0,0]=3 1385 B13R1.589 CC(=O)Nc1ccccc1C(C)C 11a_100000210643_100015343762 [0,1,0,0,0,1|2,0,0]=4 1386 B13R1.589 CC(=O)Nc1ccccc1C(C)C 1626a_100000210643_100015343762 [0,1,0,0,0,1|2,0,0]=4 1387 B13R1.589 CC(=O)Nc1ccccc1C(C)C 22a_100000210643_100000070787 [0,1,0,0,0,1|2,0,0]=4 1388 B13R1.589 CC(=O)Nc1ccccc1C(C)C 527a_100000210643_100103153847 [0,1,0,0,0,1|2,0,0]=4 1389 B13R1.589 CC(=O)c1nccnc1C=C(C)C 271570a_100102525489_100000099859 [0,1,0,0,0,1|1,0,1]=4 1390 B13R1.622 CCc1nccnc1SC(C)(C)C 62a_100000211941_100011995844 [0,1,0,0,0,1|1,0,1]=4 1391 B13R1.622 CCc1nccnc1SC(C)(C)C 62a_100011995844_100000211941 [0,1,0,0,0,1|1,0,1]=4 1392 B13R1.2135 CCc1cccc(c1NC(=O)C)C 11a_100000210048_100015343762 [0,1,0,0,0,1|2,0,0]=4 1393 B13R1.2135 CCc1cccc(c1NC(=O)C)C 1626a_100000210048_100015343762 [0,1,0,0,0,1|2,0,0]=4 1394 B13R1.2135 CCc1cccc(c1NC(=O)C)C 22a_100000210048_100000070787 [0,1,0,0,0,1|2,0,0]=4 1395 B13R1.3089 CCc1ccc(cc1NC(=O)C)Br 11a_100012354963_100015343762 [0,1,0,0,0,1|2,0,0]=4 1396 B13R1.3089 CCc1ccc(cc1NC(=O)C)Br 1626a_100012354963_100015343762 [0,1,0,0,0,1|2,0,0]=4 1397 B13R1.3089 CCc1ccc(cc1NC(=O)C)Br 22a_100012354963_100000070787 [0,1,0,0,0,1|2,0,0]=4 1398 B13R1.3089 CCc1ccc(cc1NC(=O)C)Br 527a_100012354963_100103153847 [0,1,0,0,0,1|2,0,0]=4 1399 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl 11a_200012281948_100015343762 [0,1,0,0,0,1|2,0,0]=4 1400 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl 1626a_200012281948_100015343762 [0,1,0,0,0,1|2,0,0]=4 1401 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl 22a_200012281948_100000070787 [0,1,0,0,0,1|2,0,0]=4 1402 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl 527a_200012281948_100103153847 [0,1,0,0,0,1|2,0,0]=4 1403 B13R1.3089 CCc1ncc(cc1C=C(C)C)N 271570a_100102525489_100013085292 [0,1,0,0,0,1|2,0,0]=4 1404 B13R1.3089 COc1ncc(cc1CC(=O)C)Br 1458a_100000070787_100010065838 [0,1,0,0,0,1|2,0,0]=4 1405 B13R1.141 C=C(C)c1cc(cnc1OCC)Br 271570a_100000694244_200010177599 [0,2,0,0,0,0|2,0,0]=4 1406 B13R1.141 CC(=O)c1cc(cnc1SCF)F 62a_100000118324_100015361967 [0,2,0,0,0,0|2,0,0]=4 1407 B13R1.141 CC(=O)c1cc(cnc1SCF)F 62a_100015361967_100000118324 [0,2,0,0,0,0|2,0,0]=4 1408 B13R1.141 CC=Cc1ncc(cc1C(=O)C)F 271570a_100016259895_100000118324 [0,2,0,0,0,0|1,0,1]=4 1409 B13R1.141 CCNc1ncc(cc1C(=O)N)F 27a_100015525214_100012183597 [0,2,0,0,0,0|2,0,0]=4 1410 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 1458a_200000215690_200000210301 [0,2,0,0,0,0|2,0,0]=4 1411 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100000210202 [0,2,0,0,0,0|2,0,0]=4 1412 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 7a_100000212127_100000210202 [0,2,0,0,0,0|2,0,0]=4 1413 B13R1.141 CCOc1ccc(cc1C(=O)C)C 34a_100000195442_100000210202 [0,2,0,0,0,0|2,0,0]=4 1414 B13R1.141 CCOc1ccc(cc1C(=O)C)C 7a_100000195442_100000210202 [0,2,0,0,0,0|2,0,0]=4 1415 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 1458a_200000215692_200000210301 [0,2,0,0,0,0|2,0,0]=4 1416 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100000210202 [0,2,0,0,0,0|2,0,0]=4 1417 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 7a_100000185566_100000210202 [0,2,0,0,0,0|2,0,0]=4 1418 B13R1.141 CCOc1ccc(cc1C(=O)C)F 7a_100000182812_100000210202 [0,2,0,0,0,0|2,0,0]=4 1419 B13R1.141 CCOc1ccc(cc1C(=O)C)I 7a_100010712555_100000210202 [0,2,0,0,0,0|2,0,0]=4 1420 B13R1.141 CCOc1ccc(cc1C(=O)C)N 34a_100011218865_100000210202 [0,2,0,0,0,0|2,0,0]=4 1421 B13R1.141 CCOc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173016 [0,2,0,0,0,0|2,0,0]=4 1422 B13R1.141 CCOc1ccc(cc1C(=O)[13CH3])Br 1458a_200000215690_200025704644 [0,2,0,0,0,0|2,0,0]=4 1423 B13R1.141 CCOc1ccc(cc1C(=O)[13CH3])Cl 1458a_200000215692_200025704644 [0,2,0,0,0,0|2,0,0]=4 1424 B13R1.141 CCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000210202 [0,2,0,0,0,0|2,0,0]=4 1425 B13R1.141 CCSc1ccc(cc1C(=O)C)C 62a_100000210202_100012361225 [0,2,0,0,0,0|2,0,0]=4 1426 B13R1.141 CCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000210202 [0,2,0,0,0,0|2,0,0]=4 1427 B13R1.141 CCSc1ccc(cc1C(=O)C)F 62a_100000210202_100010200798 [0,2,0,0,0,0|2,0,0]=4 1428 B13R1.141 CCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000210202 [0,2,0,0,0,0|2,0,0]=4 1429 B13R1.141 CCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000210202 [0,2,0,0,0,0|2,0,0]=4 1430 B13R1.141 CCSc1ncc(cc1C(=O)C)F 62a_100000118324_100000210202 [0,2,0,0,0,0|1,0,0]=3 1431 B13R1.141 CCSc1ncc(cc1C(=O)C)F 62a_100000210202_100000118324 [0,2,0,0,0,0|1,0,0]=3 1432 B13R1.141 CCSc1ncc(cc1C(=O)N)F 62a_100000210202_100012183597 [0,2,0,0,0,0|2,0,0]=4 1433 B13R1.141 CCSc1ncc(cc1C(=O)N)F 62a_100012183597_100000210202 [0,2,0,0,0,0|2,0,0]=4 1434 B13R1.141 CNCc1ccc(cc1C(=O)C)Br 26a_100102657272_100000212127 [0,2,0,0,0,0|2,0,0]=4 1435 B13R1.165 C=C(C)c1nc(cnc1C(C)C)C 271570a_100000694244_100015629263 [0,2,0,0,0,0|1,0,0]=3 1436 B13R1.165 C=C(C)c1ncc(cc1C(=O)C)F 271570a_100000694244_100000118324 [0,2,0,0,0,0|1,0,1]=4 1437 B13R1.165 CC(=O)c1cc(ccc1C(C)C)C 1458a_200012176289_200000210301 [0,2,0,0,0,0|2,0,0]=4 1438 B13R1.165 Cc1ccc(c(c1)C(=O)[13CH3])C(C)C 1458a_200012176289_200025704644 [0,2,0,0,0,0|2,0,0]=4 1439 B13R1.165 Cc1cnc(c(n1)N(C)C)C(C)C 27a_100102631434_100015629263 [0,2,0,0,0,0|2,0,0]=4 1440 B13R1.2209 CCC(=O)c1cc(ccc1CC)Br 1458a_100012343961_100000210202 [0,2,0,0,0,0|2,0,0]=4 1441 B13R1.2209 CCc1ccc(cc1C(=O)CF)Br 1458a_100012343961_100015361967 [0,2,0,0,0,0|2,0,0]=4 1442 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 11a_106832991635_100012343961 [0,2,0,0,0,0|2,0,0]=4 1443 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 1626a_100102657272_100012343961 [0,2,0,0,0,0|2,0,0]=4 1444 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 240690a_100102657272_100012343961 [0,2,0,0,0,0|2,0,0]=4 1445 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 527a_100102657272_100012343961 [0,2,0,0,0,0|2,0,0]=4 1446 B13R1.2209 CCc1ccc(cc1C(=O)OC)O 271570a_203496583355_100012360140 [0,2,0,0,0,0|2,0,0]=4 1447 B13R1.2209 CNc1ncc(cc1C(=O)OC)C 27a_100102657272_100000085774 [0,2,0,0,0,0|2,0,0]=4 1448 B13R1.2209 COC(=O)c1cc(cnc1OC)O 271570a_203496583355_100000698521 [0,2,0,0,0,0|2,0,0]=4 1449 B13R1.2209 COC(=O)c1cc(cnc1SC)C 62a_100010162703_200000210301 [0,2,0,0,0,0|2,0,0]=4 1450 B13R1.2209 COC(=O)c1cc(cnc1SC)C 62a_200000210301_100000085774 [0,2,0,0,0,0|2,0,0]=4 1451 B13R1.2209 COC(=O)c1cc(cnc1SC)F 62a_100012000215_200000210301 [0,2,0,0,0,0|2,0,0]=4 1452 B13R1.2209 COC(=O)c1cc(cnc1SC)F 62a_200000210301_100012000215 [0,2,0,0,0,0|2,0,0]=4 1453 B13R1.2209 COC(=O)c1cc(cnc1SC)N 62a_200000210301_200012182668 [0,2,0,0,0,0|2,0,0]=4 1454 B13R1.2209 COC(=O)c1cc(cnc1SC)N 62a_200012182668_200000210301 [0,2,0,0,0,0|2,0,0]=4 1455 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])C 62a_100010162703_200025704644 [0,2,0,0,0,0|2,0,0]=4 1456 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])C 62a_200025704644_100000085774 [0,2,0,0,0,0|2,0,0]=4 1457 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])F 62a_100012000215_200025704644 [0,2,0,0,0,0|2,0,0]=4 1458 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100012000215 [0,2,0,0,0,0|2,0,0]=4 1459 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])N 62a_200012182668_200025704644 [0,2,0,0,0,0|2,0,0]=4 1460 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])N 62a_200025704644_200012182668 [0,2,0,0,0,0|2,0,0]=4 1461 B13R1.2209 COC(=O)c1nc(ccc1OC)Br 34a_100000697862_200000210301 [0,2,0,0,0,0|2,0,0]=4 1462 B13R1.2209 COC(=O)c1nc(ccc1OC)Br 7a_100000697862_200000210301 [0,2,0,0,0,0|2,0,0]=4 1463 B13R1.2209 COC(=O)c1nc(ccc1OC)C 34a_100009869402_200000210301 [0,2,0,0,0,0|2,0,0]=4 1464 B13R1.2209 COC(=O)c1nc(ccc1OC)C 7a_100009869402_200000210301 [0,2,0,0,0,0|2,0,0]=4 1465 B13R1.2209 COC(=O)c1nc(ccc1OC)O 271570a_203496583355_100010136180 [0,2,0,0,0,0|2,0,0]=4 1466 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])Br 34a_100000697862_200025704644 [0,2,0,0,0,0|2,0,0]=4 1467 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])Br 7a_100000697862_200025704644 [0,2,0,0,0,0|2,0,0]=4 1468 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])C 34a_100009869402_200025704644 [0,2,0,0,0,0|2,0,0]=4 1469 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])C 7a_100009869402_200025704644 [0,2,0,0,0,0|2,0,0]=4 1470 B13R1.2209 COC(=O)c1nc(ccc1SC)N 62a_100009816986_200000210301 [0,2,0,0,0,0|2,0,0]=4 1471 B13R1.2209 COC(=O)c1nc(ccc1S[13CH3])N 62a_100009816986_200025704644 [0,2,0,0,0,0|2,0,0]=4 1472 B13R1.2209 COC(=O)c1nc(cnc1OC)O 271570a_203496583355_200010231768 [0,2,0,0,0,0|1,0,0]=3 1473 B13R1.2430 C=Cc1cnc(c(c1)C(=O)C)OC 271570a_100011290941_100010135678 [0,2,0,0,0,0|2,0,0]=4 1474 B13R1.2430 COc1ncc(cc1C(=O)C)SC 62a_100010135678_200000210301 [0,2,0,0,0,0|2,0,0]=4 1475 B13R1.2430 COc1ncc(cc1C(=O)C)SC 62a_200000210301_100010135678 [0,2,0,0,0,0|2,0,0]=4 1476 B13R1.2430 COc1ncc(cc1C(=O)C)S[13CH3] 62a_100010135678_200025704644 [0,2,0,0,0,0|2,0,0]=4 1477 B13R1.2430 COc1ncc(cc1C(=O)C)S[13CH3] 62a_200025704644_100010135678 [0,2,0,0,0,0|2,0,0]=4 1478 B13R1.99 C=Cc1cnc(c(c1)OC)C(=O)C 271570a_100011290941_100010137934 [0,2,0,0,0,0|2,0,0]=4 1479 B13R1.99 COc1cc(cnc1C(=O)C)SC 62a_100010137934_200000210301 [0,2,0,0,0,0|2,0,0]=4 1480 B13R1.99 COc1cc(cnc1C(=O)C)SC 62a_200000210301_100010137934 [0,2,0,0,0,0|2,0,0]=4 1481 B13R1.99 COc1cc(cnc1C(=O)C)S[13CH3] 62a_100010137934_200025704644 [0,2,0,0,0,0|2,0,0]=4 1482 B13R1.99 COc1cc(cnc1C(=O)C)S[13CH3] 62a_200025704644_100010137934 [0,2,0,0,0,0|2,0,0]=4 1483 B13R1.356 CCNc1cc(ccc1C(=O)C)F 27a_100015525214_100000686192 [0,2,0,0,0,0|2,0,0]=4 1484 B13R1.356 CCNc1nc(ccc1C(=O)N)C 27a_100015525214_100000041523 [0,2,0,0,0,0|2,0,0]=4 1485 B13R1.356 CCNc1nc(cnc1C(C)C)C 27a_100015525214_100015629263 [0,2,0,0,0,0|1,0,1]=4 1486 B13R1.356 CCOc1cc(ccc1C(=O)C)Br 7a_100000188348_100000210202 [0,2,0,0,0,0|2,0,0]=4 1487 B13R1.356 CCOc1cc(ccc1C(=O)C)C 34a_100000234885_100000210202 [0,2,0,0,0,0|2,0,0]=4 1488 B13R1.356 CCOc1cc(ccc1C(=O)C)C 7a_100000234885_100000210202 [0,2,0,0,0,0|2,0,0]=4 1489 B13R1.356 CCOc1cc(ccc1C(=O)C)Cl 34a_100000061402_100000210202 [0,2,0,0,0,0|2,0,0]=4 1490 B13R1.356 CCOc1cc(ccc1C(=O)C)Cl 7a_100000061402_100000210202 [0,2,0,0,0,0|2,0,0]=4 1491 B13R1.356 CCOc1cc(ccc1C(=O)C)F 7a_100011215782_100000210202 [0,2,0,0,0,0|2,0,0]=4 1492 B13R1.356 CCSc1cc(ccc1C(=O)C)C 62a_100000210202_100012353930 [0,2,0,0,0,0|2,0,0]=4 1493 B13R1.356 CCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000210202 [0,2,0,0,0,0|2,0,0]=4 1494 B13R1.356 CCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000210202 [0,2,0,0,0,0|2,0,0]=4 1495 B13R1.356 CCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000210202 [0,2,0,0,0,0|2,0,0]=4 1496 B13R1.356 CCSc1nc(ccc1C(=O)N)C 62a_100000041523_100000210202 [0,2,0,0,0,0|2,0,0]=4 1497 B13R1.356 CCSc1nc(ccc1C(=O)N)C 62a_100000210202_100000041523 [0,2,0,0,0,0|2,0,0]=4 1498 B13R1.356 CCSc1nc(cnc1C(C)C)C 62a_100000210202_100015629263 [0,2,0,0,0,0|1,0,1]=4 1499 B13R1.356 CCSc1nc(cnc1C(C)C)C 62a_100015629263_100000210202 [0,2,0,0,0,0|1,0,1]=4 1500 B13R1.356 CNCc1cc(ccc1C(=O)C)Br 26a_100102657272_100000188348 [0,2,0,0,0,0|2,0,0]=4 1501 B13R1.2065 C=Cc1nc(cnc1C(=O)OC)C 271570a_100011290941_100000099855 [0,2,0,0,0,0|0,0,2]=4 1502 B13R1.2065 CCC(=O)c1ccc(cc1CC)Br 1458a_200012349896_100000210202 [0,2,0,0,0,0|2,0,0]=4 1503 B13R1.2065 CCc1cc(ccc1C(=O)CF)Br 1458a_200012349896_100015361967 [0,2,0,0,0,0|2,0,0]=4 1504 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 11a_106832991635_200012349896 [0,2,0,0,0,0|2,0,0]=4 1505 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 1626a_100102657272_200012349896 [0,2,0,0,0,0|2,0,0]=4 1506 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 240690a_100102657272_200012349896 [0,2,0,0,0,0|2,0,0]=4 1507 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 527a_100102657272_200012349896 [0,2,0,0,0,0|2,0,0]=4 1508 B13R1.2065 CNc1nc(cnc1C(=O)OC)C 27a_100102657272_100000099855 [0,2,0,0,0,0|1,0,0]=3 1509 B13R1.2065 COC(=O)c1ccc(nc1OC)O 271570a_203496583355_100000703831 [0,2,0,0,0,0|2,0,0]=4 1510 B13R1.2065 COC(=O)c1ccc(nc1SC)C 62a_100000054099_200000210301 [0,2,0,0,0,0|2,0,0]=4 1511 B13R1.2065 COC(=O)c1ccc(nc1SC)C 62a_200000210301_100000054099 [0,2,0,0,0,0|2,0,0]=4 1512 B13R1.2065 COC(=O)c1ccc(nc1SC)N 62a_100009865240_200000210301 [0,2,0,0,0,0|2,0,0]=4 1513 B13R1.2065 COC(=O)c1ccc(nc1SC)N 62a_200000210301_100009865240 [0,2,0,0,0,0|2,0,0]=4 1514 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])C 62a_100000054099_200025704644 [0,2,0,0,0,0|2,0,0]=4 1515 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])C 62a_200025704644_100000054099 [0,2,0,0,0,0|2,0,0]=4 1516 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])N 62a_100009865240_200025704644 [0,2,0,0,0,0|2,0,0]=4 1517 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])N 62a_200025704644_100009865240 [0,2,0,0,0,0|2,0,0]=4 1518 B13R1.2065 COC(=O)c1ncc(cc1OC)Br 34a_100010071521_200000210301 [0,2,0,0,0,0|2,0,0]=4 1519 B13R1.2065 COC(=O)c1ncc(cc1OC)Br 7a_100010071521_200000210301 [0,2,0,0,0,0|2,0,0]=4 1520 B13R1.2065 COC(=O)c1ncc(cc1OC)O 271570a_203496583355_100010254911 [0,2,0,0,0,0|2,0,0]=4 1521 B13R1.2065 COC(=O)c1ncc(cc1O[13CH3])Br 34a_100010071521_200025704644 [0,2,0,0,0,0|2,0,0]=4 1522 B13R1.2065 COC(=O)c1ncc(cc1O[13CH3])Br 7a_100010071521_200025704644 [0,2,0,0,0,0|2,0,0]=4 1523 B13R1.2065 COC(=O)c1ncc(cc1SC)C 62a_100010167497_200000210301 [0,2,0,0,0,0|2,0,0]=4 1524 B13R1.2065 COC(=O)c1ncc(cc1SC)C 62a_200000210301_100010167497 [0,2,0,0,0,0|2,0,0]=4 1525 B13R1.2065 COC(=O)c1ncc(cc1SC)F 62a_100010189631_200000210301 [0,2,0,0,0,0|2,0,0]=4 1526 B13R1.2065 COC(=O)c1ncc(cc1SC)F 62a_200000210301_100010189631 [0,2,0,0,0,0|2,0,0]=4 1527 B13R1.2065 COC(=O)c1ncc(cc1S[13CH3])C 62a_100010167497_200025704644 [0,2,0,0,0,0|2,0,0]=4 1528 B13R1.2065 COC(=O)c1ncc(cc1S[13CH3])C 62a_200025704644_100010167497 [0,2,0,0,0,0|2,0,0]=4 1529 B13R1.2065 COC(=O)c1ncc(cc1S[13CH3])F 62a_100010189631_200025704644 [0,2,0,0,0,0|2,0,0]=4 1530 B13R1.2065 COC(=O)c1ncc(cc1S[13CH3])F 62a_200025704644_100010189631 [0,2,0,0,0,0|2,0,0]=4 1531 B13R1.2065 COC(=O)c1ncc(nc1SC)C 62a_200000210301_100000099855 [0,2,0,0,0,0|1,0,0]=3 1532 B13R1.2065 COC(=O)c1ncc(nc1S[13CH3])C 62a_200025704644_100000099855 [0,2,0,0,0,0|1,0,0]=3 1533 B13R1.349 C=C(C)c1cccnc1C(C)(C)O 271570a_100000694244_200010080787 [0,2,0,0,0,0|2,0,0]=4 1534 B13R1.349 C=C(C)c1ncccc1C(C)(C)O 271570a_100000694244_100010080783 [0,2,0,0,0,0|2,0,0]=4 1535 B13R1.349 C=C(C)c1nccnc1C(F)(F)F 271570a_100000694244_100010291561 [0,2,0,0,0,0|2,0,0]=4 1536 B13R1.349 CC(=O)c1ccccc1C(C)(C)C 1458a_100000690655_200000210301 [0,2,0,0,0,0|2,0,0]=4 1537 B13R1.349 CC(=O)c1cccnc1C(F)(F)F 1458a_100000026853_200000210301 [0,2,0,0,0,0|2,0,0]=4 1538 B13R1.349 CC(=O)c1ncccc1C(F)(F)F 1458a_100000068864_200000210301 [0,2,0,0,0,0|2,0,0]=4 1539 B13R1.349 CC(=O)c1nccnc1C(F)(F)F 1458a_100015438527_200000210301 [0,2,0,0,0,0|1,0,0]=3 1540 B13R1.349 CC(C)(C)c1ccccc1C(=O)[13CH3] 1458a_100000690655_200025704644 [0,2,0,0,0,0|2,0,0]=4 1541 B13R1.349 [13CH3]C(=O)c1cccnc1C(F)(F)F 1458a_100000026853_200025704644 [0,2,0,0,0,0|2,0,0]=4 1542 B13R1.349 [13CH3]C(=O)c1ncccc1C(F)(F)F 1458a_100000068864_200025704644 [0,2,0,0,0,0|2,0,0]=4 1543 B13R1.349 [13CH3]C(=O)c1nccnc1C(F)(F)F 1458a_100015438527_200025704644 [0,2,0,0,0,0|1,0,0]=3 1544 B13R1.381 CCSc1cccnc1S(=O)(=O)C 62a_100000210202_100009830116 [0,2,0,0,0,0|2,0,0]=4 1545 B13R1.381 CCSc1cccnc1S(=O)(=O)C 62a_100009830116_100000210202 [0,2,0,0,0,0|2,0,0]=4 1546 B13R1.92 CCc1nccnc1N(CC)CC 27a_100000724800_100011995844 [0,2,0,0,0,0|2,0,0]=4 1547 B13R1.107 CCC(=O)c1cccc(c1CC)Br 1458a_100010125490_100000210202 [0,2,0,0,0,0|2,0,0]=4 1548 B13R1.107 CCc1c(cccc1C(=O)CF)Br 1458a_100010125490_100015361967 [0,2,0,0,0,0|2,0,0]=4 1549 B13R1.107 CCc1c(cccc1C(=O)NC)Br 11a_106832991635_100010125490 [0,2,0,0,0,0|2,0,0]=4 1550 B13R1.107 CCc1c(cccc1C(=O)NC)Br 1626a_100102657272_100010125490 [0,2,0,0,0,0|2,0,0]=4 1551 B13R1.107 CCc1c(cccc1C(=O)NC)Br 240690a_100102657272_100010125490 [0,2,0,0,0,0|2,0,0]=4 1552 B13R1.107 CCc1c(cccc1C(=O)NC)Br 527a_100102657272_100010125490 [0,2,0,0,0,0|2,0,0]=4 1553 B13R1.382 C=C=Cc1nccnc1C(=O)OC 271570a_100015277604_100000688410 [0,2,0,0,0,0|0,0,2]=4 1554 B13R1.382 CC=Cc1cccnc1C(=O)OC 271570a_100016259895_100011935214 [0,2,0,0,0,0|1,0,1]=4 1555 B13R1.382 CC=Cc1ncccc1C(=O)NC 271570a_100016259895_100000159833 [0,2,0,0,0,0|1,0,1]=4 1556 B13R1.382 CC=Cc1ncccc1C(=O)OC 271570a_100016259895_100000150852 [0,2,0,0,0,0|1,0,1]=4 1557 B13R1.382 CC=Cc1nccnc1C(=O)OC 271570a_100016259895_100000688410 [0,2,0,0,0,0|0,0,1]=3 1558 B13R1.382 CCC(=O)c1ccccc1COC 1458a_100000737999_100000210202 [0,2,0,0,0,0|2,0,0]=4 1559 B13R1.382 CCNc1ccccc1C(=O)NC 27a_100015525214_100000155073 [0,2,0,0,0,0|2,0,0]=4 1560 B13R1.382 CCNc1ccccc1C(=O)NC 34a_100000185696_100000210202 [0,2,0,0,0,0|2,0,0]=4 1561 B13R1.382 CCNc1ncccc1C(=O)NC 27a_100015525214_100000159833 [0,2,0,0,0,0|1,0,0]=3 1562 B13R1.382 CCNc1ncccc1C(=O)OC 27a_100015525214_100000150852 [0,2,0,0,0,0|1,0,0]=3 1563 B13R1.382 CCNc1nccnc1C(=O)OC 27a_100015525214_100000079898 [0,2,0,0,0,0|0,0,0]=2 1564 B13R1.382 CCNc1ncncc1C(=O)OC 27a_100015525214_100000726419 [0,2,0,0,0,0|2,0,0]=4 1565 B13R1.382 CCOc1ccccc1C(=O)CBr 7a_100000188908_100000210202 [0,2,0,0,0,0|2,0,0]=4 1566 B13R1.382 CCOc1ccccc1C(=O)CC 1458a_100000211144_100000210202 [0,2,0,0,0,0|2,0,0]=4 1567 B13R1.382 CCOc1ccccc1C(=O)CC 7a_100000184720_100000210202 [0,2,0,0,0,0|2,0,0]=4 1568 B13R1.382 CCOc1ccccc1C(=O)CF 1458a_100000211144_100015361967 [0,2,0,0,0,0|2,0,0]=4 1569 B13R1.382 CCOc1ccccc1C(=O)NC 11a_106832991635_100000211144 [0,2,0,0,0,0|2,0,0]=4 1570 B13R1.382 CCOc1ccccc1C(=O)NC 1626a_100102657272_100000211144 [0,2,0,0,0,0|2,0,0]=4 1571 B13R1.382 CCOc1ccccc1C(=O)NC 240690a_100102657272_100000211144 [0,2,0,0,0,0|2,0,0]=4 1572 B13R1.382 CCOc1ccccc1C(=O)NC 34a_100000185920_100000210202 [0,2,0,0,0,0|2,0,0]=4 1573 B13R1.382 CCOc1ccccc1C(=O)NC 527a_100102657272_100000211144 [0,2,0,0,0,0|2,0,0]=4 1574 B13R1.382 CCOc1ccccc1C(=O)NC 7a_100000185920_100000210202 [0,2,0,0,0,0|2,0,0]=4 1575 B13R1.382 CCOc1ccccc1C(=O)OC 7a_100000150335_100000210202 [0,2,0,0,0,0|2,0,0]=4 1576 B13R1.382 CCOc1cccnc1C(=O)NC 34a_100011376092_100000210202 [0,2,0,0,0,0|1,0,0]=3 1577 B13R1.382 CCOc1cccnc1C(=O)NC 7a_100011376092_100000210202 [0,2,0,0,0,0|1,0,0]=3 1578 B13R1.382 CCOc1cccnc1C(=O)OC 34a_100000744052_100000210202 [0,2,0,0,0,0|1,0,0]=3 1579 B13R1.382 CCOc1cccnc1C(=O)OC 7a_100000744052_100000210202 [0,2,0,0,0,0|1,0,0]=3 1580 B13R1.382 CCSc1ccccc1C(=O)CC 1458a_100000195471_100000210202 [0,2,0,0,0,0|2,0,0]=4 1581 B13R1.382 CCSc1ccccc1C(=O)CF 1458a_100000195471_100015361967 [0,2,0,0,0,0|2,0,0]=4 1582 B13R1.382 CCSc1ccccc1C(=O)NC 11a_106832991635_100000195471 [0,2,0,0,0,0|2,0,0]=4 1583 B13R1.382 CCSc1ccccc1C(=O)NC 1626a_100102657272_100000195471 [0,2,0,0,0,0|2,0,0]=4 1584 B13R1.382 CCSc1ccccc1C(=O)NC 240690a_100102657272_100000195471 [0,2,0,0,0,0|2,0,0]=4 1585 B13R1.382 CCSc1ccccc1C(=O)NC 527a_100102657272_100000195471 [0,2,0,0,0,0|2,0,0]=4 1586 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000155073_100000210202 [0,2,0,0,0,0|2,0,0]=4 1587 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000210202_100000155073 [0,2,0,0,0,0|2,0,0]=4 1588 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000148710_100000210202 [0,2,0,0,0,0|2,0,0]=4 1589 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000210202_100000148710 [0,2,0,0,0,0|2,0,0]=4 1590 B13R1.382 CCSc1cccnc1C(=O)OC 62a_100000210202_100011935214 [0,2,0,0,0,0|1,0,0]=3 1591 B13R1.382 CCSc1cccnc1C(=O)OC 62a_100011935214_100000210202 [0,2,0,0,0,0|1,0,0]=3 1592 B13R1.382 CCSc1cncnc1C(=O)OC 62a_100000210202_100012360100 [0,2,0,0,0,0|2,0,0]=4 1593 B13R1.382 CCSc1cncnc1C(=O)OC 62a_100012360100_100000210202 [0,2,0,0,0,0|2,0,0]=4 1594 B13R1.382 CCSc1ncccc1C(=O)NC 62a_100000159833_100000210202 [0,2,0,0,0,0|1,0,0]=3 1595 B13R1.382 CCSc1ncccc1C(=O)NC 62a_100000210202_100000159833 [0,2,0,0,0,0|1,0,0]=3 1596 B13R1.382 CCSc1ncccc1C(=O)OC 62a_100000210202_100000150852 [0,2,0,0,0,0|1,0,0]=3 1597 B13R1.382 CCSc1ncccc1C(=O)OC 62a_100011587185_100000210202 [0,2,0,0,0,0|1,0,0]=3 1598 B13R1.382 CCSc1nccnc1C(=O)OC 62a_100000210202_100000079898 [0,2,0,0,0,0|0,0,0]=2 1599 B13R1.382 CCSc1nccnc1C(=O)OC 62a_100000688410_100000210202 [0,2,0,0,0,0|0,0,0]=2 1600 B13R1.382 CCSc1ncncc1C(=O)OC 62a_100000210202_100000726419 [0,2,0,0,0,0|2,0,0]=4 1601 B13R1.382 CCSc1ncncc1C(=O)OC 62a_100000726419_100000210202 [0,2,0,0,0,0|2,0,0]=4 1602 B13R1.382 CNC(=O)c1ccccc1COC 11a_106832991635_100000737999 [0,2,0,0,0,0|2,0,0]=4 1603 B13R1.382 CNC(=O)c1ccccc1COC 1626a_100102657272_100000737999 [0,2,0,0,0,0|2,0,0]=4 1604 B13R1.382 CNC(=O)c1ccccc1COC 240690a_100102657272_100000737999 [0,2,0,0,0,0|2,0,0]=4 1605 B13R1.382 CNC(=O)c1ccccc1COC 34a_100009855793_200000210301 [0,2,0,0,0,0|2,0,0]=4 1606 B13R1.382 CNC(=O)c1ccccc1COC 527a_100102657272_100000737999 [0,2,0,0,0,0|2,0,0]=4 1607 B13R1.382 CNC(=O)c1ccccc1COC 7a_100009855793_200000210301 [0,2,0,0,0,0|2,0,0]=4 1608 B13R1.382 CNC(=O)c1ccccc1CO[13CH3] 34a_100009855793_200025704644 [0,2,0,0,0,0|2,0,0]=4 1609 B13R1.382 CNC(=O)c1ccccc1CO[13CH3] 7a_100009855793_200025704644 [0,2,0,0,0,0|2,0,0]=4 1610 B13R1.382 CNC(=O)c1cccnc1SCF 62a_100000159833_100015361967 [0,2,0,0,0,0|2,0,0]=4 1611 B13R1.382 CNC(=O)c1cccnc1SCF 62a_100015361967_100000159833 [0,2,0,0,0,0|2,0,0]=4 1612 B13R1.382 CNC(=O)c1ncccc1OCF 34a_100011376092_100015361967 [0,2,0,0,0,0|2,0,0]=4 1613 B13R1.382 CNC(=O)c1ncccc1OCF 7a_100011376092_100015361967 [0,2,0,0,0,0|2,0,0]=4 1614 B13R1.382 CNCc1ccccc1C(=O)OC 2230a_106832991635_100000744672 [0,2,0,0,0,0|2,0,0]=4 1615 B13R1.382 CNCc1ccccc1C(=O)OC 34a_100102657272_100000744672 [0,2,0,0,0,0|2,0,0]=4 1616 B13R1.382 CNCc1ccccc1C(=O)OC 7a_106832991635_100000744672 [0,2,0,0,0,0|2,0,0]=4 1617 B13R1.382 CNCc1cccnc1C(=O)OC 2230a_106832991635_100010177730 [0,2,0,0,0,0|1,0,0]=3 1618 B13R1.382 CNCc1cccnc1C(=O)OC 34a_100102657272_100010177730 [0,2,0,0,0,0|1,0,0]=3 1619 B13R1.382 CNCc1cccnc1C(=O)OC 7a_106832991635_100010177730 [0,2,0,0,0,0|1,0,0]=3 1620 B13R1.382 CNCc1ncccc1C(=O)OC 2230a_106832991635_100000709840 [0,2,0,0,0,0|1,0,0]=3 1621 B13R1.382 CNCc1ncccc1C(=O)OC 34a_100102657272_100012347567 [0,2,0,0,0,0|1,0,0]=3 1622 B13R1.382 CNCc1ncccc1C(=O)OC 7a_106832991635_100000709840 [0,2,0,0,0,0|1,0,0]=3 1623 B13R1.382 COC(=O)c1ccccc1CSC 62a_100000744672_200000210301 [0,2,0,0,0,0|2,0,0]=4 1624 B13R1.382 COC(=O)c1ccccc1CSC 62a_200000210301_100000744672 [0,2,0,0,0,0|2,0,0]=4 1625 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_100000744672_200025704644 [0,2,0,0,0,0|2,0,0]=4 1626 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_200025704644_100000744672 [0,2,0,0,0,0|2,0,0]=4 1627 B13R1.382 COC(=O)c1cccnc1CSC 62a_100000709840_200000210301 [0,2,0,0,0,0|1,0,0]=3 1628 B13R1.382 COC(=O)c1cccnc1CSC 62a_200000210301_100000709840 [0,2,0,0,0,0|1,0,0]=3 1629 B13R1.382 COC(=O)c1cccnc1CS[13CH3] 62a_100000709840_200025704644 [0,2,0,0,0,0|1,0,0]=3 1630 B13R1.382 COC(=O)c1cccnc1CS[13CH3] 62a_200025704644_100000709840 [0,2,0,0,0,0|1,0,0]=3 1631 B13R1.382 COC(=O)c1cccnc1SCF 62a_100011587185_100015361967 [0,2,0,0,0,0|2,0,0]=4 1632 B13R1.382 COC(=O)c1cccnc1SCF 62a_100015361967_100000150852 [0,2,0,0,0,0|2,0,0]=4 1633 B13R1.382 COC(=O)c1ncccc1CSC 62a_100010177730_200000210301 [0,2,0,0,0,0|1,0,0]=3 1634 B13R1.382 COC(=O)c1ncccc1CSC 62a_200000210301_100010177730 [0,2,0,0,0,0|1,0,0]=3 1635 B13R1.382 COC(=O)c1ncccc1CS[13CH3] 62a_100010177730_200025704644 [0,2,0,0,0,0|1,0,0]=3 1636 B13R1.382 COC(=O)c1ncccc1CS[13CH3] 62a_200025704644_100010177730 [0,2,0,0,0,0|1,0,0]=3 1637 B13R1.382 COC(=O)c1ncccc1OCF 34a_100000744052_100015361967 [0,2,0,0,0,0|2,0,0]=4 1638 B13R1.382 COC(=O)c1ncccc1OCF 7a_100000744052_100015361967 [0,2,0,0,0,0|2,0,0]=4 1639 B13R1.382 COC(=O)c1ncccc1SCF 62a_100011935214_100015361967 [0,2,0,0,0,0|2,0,0]=4 1640 B13R1.382 COC(=O)c1ncccc1SCF 62a_100015361967_100011935214 [0,2,0,0,0,0|2,0,0]=4 1641 B13R1.382 COC(=O)c1nccnc1SCF 62a_100000688410_100015361967 [0,2,0,0,0,0|1,0,0]=3 1642 B13R1.382 COC(=O)c1nccnc1SCF 62a_100015361967_100000079898 [0,2,0,0,0,0|1,0,0]=3 1643 B13R1.382 COCc1ccccc1C(=O)CF 1458a_100000737999_100015361967 [0,2,0,0,0,0|2,0,0]=4 1644 B13R1.382 COCc1ccccc1C(=O)OC 34a_100138415774_100000744672 [0,2,0,0,0,0|2,0,0]=4 1645 B13R1.382 COCc1cccnc1C(=O)OC 34a_100138415774_100010177730 [0,2,0,0,0,0|1,0,0]=3 1646 B13R1.382 COCc1ncccc1C(=O)OC 34a_100138415774_100012347567 [0,2,0,0,0,0|1,0,0]=3 1647 B13R1.464 C#CCC(=O)c1ccccc1CC 1458a_100000689120_100000184674 [0,2,0,0,0,0|2,0,0]=4 1648 B13R1.464 C#CCN(C)c1nccnc1CC 27a_100000225692_100011995844 [0,2,0,0,0,0|2,0,0]=4 1649 B13R1.464 C=CCC(=O)c1ccccc1CC 1458a_100000689120_100000210623 [0,2,0,0,0,0|2,0,0]=4 1650 B13R1.464 CCCC(=O)c1ccccc1CC 1458a_100000689120_100000210303 [0,2,0,0,0,0|2,0,0]=4 1651 B13R1.464 CCCN(C)c1nccnc1CC 27a_100000747261_100011995844 [0,2,0,0,0,0|2,0,0]=4 1652 B13R1.464 CCNC(=O)c1ccccc1CC 11a_100015525214_100000689120 [0,2,0,0,0,0|2,0,0]=4 1653 B13R1.464 CCNC(=O)c1ccccc1CC 240690a_100015525214_100000689120 [0,2,0,0,0,0|2,0,0]=4 1654 B13R1.464 CCNC(=O)c1ccccc1CC 527a_100015525214_100000689120 [0,2,0,0,0,0|2,0,0]=4 1655 B13R1.464 CCNC(=O)c1cccnc1NC 27a_100102657272_100000160120 [0,2,0,0,0,0|2,0,0]=4 1656 B13R1.464 CCNC(=O)c1cccnc1SC 62a_200000210301_100000160120 [0,2,0,0,0,0|2,0,0]=4 1657 B13R1.464 CCNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000160120 [0,2,0,0,0,0|2,0,0]=4 1658 B13R1.464 CCNC(C)c1nccnc1CC 269862a_100015525214_100000033879 [0,2,0,0,0,0|1,0,1]=4 1659 B13R1.464 CCOC(=O)c1cccnc1NC 27a_100102657272_100000170124 [0,2,0,0,0,0|2,0,0]=4 1660 B13R1.464 CCOC(=O)c1cccnc1SC 62a_100011291640_200000210301 [0,2,0,0,0,0|2,0,0]=4 1661 B13R1.464 CCOC(=O)c1cccnc1SC 62a_200000210301_100000170124 [0,2,0,0,0,0|2,0,0]=4 1662 B13R1.464 CCOC(=O)c1cccnc1S[13CH3] 62a_100011291640_200025704644 [0,2,0,0,0,0|2,0,0]=4 1663 B13R1.464 CCOC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000170124 [0,2,0,0,0,0|2,0,0]=4 1664 B13R1.464 CCOC(=O)c1ncccc1OC 7a_200011376064_200000210301 [0,2,0,0,0,0|2,0,0]=4 1665 B13R1.464 CCOC(=O)c1ncccc1O[13CH3] 7a_200011376064_200025704644 [0,2,0,0,0,0|2,0,0]=4 1666 B13R1.464 CCOC(=O)c1ncccc1SC 62a_100012351660_200000210301 [0,2,0,0,0,0|2,0,0]=4 1667 B13R1.464 CCOC(=O)c1ncccc1SC 62a_200000210301_100012351660 [0,2,0,0,0,0|2,0,0]=4 1668 B13R1.464 CCOC(=O)c1ncccc1S[13CH3] 62a_100012351660_200025704644 [0,2,0,0,0,0|2,0,0]=4 1669 B13R1.464 CCOC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012351660 [0,2,0,0,0,0|2,0,0]=4 1670 B13R1.464 CCOC(=O)c1nccnc1NC 27a_100102657272_100000085455 [0,2,0,0,0,0|1,0,0]=3 1671 B13R1.464 CCOC(=O)c1nccnc1SC 62a_200000210301_100000085455 [0,2,0,0,0,0|1,0,0]=3 1672 B13R1.464 CCOC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000085455 [0,2,0,0,0,0|1,0,0]=3 1673 B13R1.464 CCc1ccccc1C(=O)CC#N 1458a_100000689120_100011214920 [0,2,0,0,0,0|2,0,0]=4 1674 B13R1.464 CCc1ccccc1C(=O)CCF 1458a_100000689120_100011217306 [0,2,0,0,0,0|2,0,0]=4 1675 B13R1.464 CCc1ccccc1C(=O)CCO 1458a_100000689120_100000211926 [0,2,0,0,0,0|2,0,0]=4 1676 B13R1.464 CCc1ccccc1C(=O)NNC 22a_100016993582_100000689120 [0,2,0,0,0,0|2,0,0]=4 1677 B13R1.464 CCc1nccnc1N(C)CCO 27a_100000210263_100011995844 [0,2,0,0,0,0|1,0,1]=4 1678 B13R1.547 C=C(C)c1cccnc1C(=O)OC 271570a_100000694244_100011935214 [0,2,0,0,0,0|1,0,1]=4 1679 B13R1.547 C=C(C)c1cccnc1[C@H](C)OC 271570a_100000694244_106256553109 [0,2,0,0,0,0|2,0,0]=4 1680 B13R1.547 C=C(C)c1ncccc1C(=O)NC 271570a_100000694244_100000159833 [0,2,0,0,0,0|1,0,1]=4 1681 B13R1.547 C=C(C)c1ncccc1C(=O)OC 271570a_100000694244_100000150852 [0,2,0,0,0,0|1,0,1]=4 1682 B13R1.547 C=C(C)c1nccnc1C(=O)OC 271570a_100000694244_100000688410 [0,2,0,0,0,0|0,0,1]=3 1683 B13R1.547 CC(C)c1ccccc1C(=O)CF 1458a_100011941426_100015361967 [0,2,0,0,0,0|2,0,0]=4 1684 B13R1.547 CCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000210202 [0,2,0,0,0,0|2,0,0]=4 1685 B13R1.547 CNC(=O)c1ccccc1C(C)C 11a_106832991635_100011941426 [0,2,0,0,0,0|2,0,0]=4 1686 B13R1.547 CNC(=O)c1ccccc1C(C)C 1626a_100102657272_100011941426 [0,2,0,0,0,0|2,0,0]=4 1687 B13R1.547 CNC(=O)c1ccccc1C(C)C 240690a_100102657272_100011941426 [0,2,0,0,0,0|2,0,0]=4 1688 B13R1.547 CNC(=O)c1ccccc1C(C)C 527a_100102657272_100011941426 [0,2,0,0,0,0|2,0,0]=4 1689 B13R1.547 CNC(=O)c1cccnc1N(C)C 27a_100102631434_100000159833 [0,2,0,0,0,0|2,0,0]=4 1690 B13R1.547 COC(=O)c1cccnc1N(C)C 27a_100102631434_100000150852 [0,2,0,0,0,0|2,0,0]=4 1691 B13R1.547 COC(=O)c1nccnc1N(C)C 27a_100102631434_100000079898 [0,2,0,0,0,0|1,0,0]=3 1692 B13R1.2357 COC(=O)c1c(ccnc1OC)O 271570a_203496583355_100010136349 [0,2,0,0,0,0|2,0,0]=4 1693 B13R1.2357 COC(=O)c1c(ccnc1SC)F 62a_100015560809_200000210301 [0,2,0,0,0,0|2,0,0]=4 1694 B13R1.2357 COC(=O)c1c(ccnc1SC)F 62a_200000210301_100015560809 [0,2,0,0,0,0|2,0,0]=4 1695 B13R1.2357 COC(=O)c1c(ccnc1SC)N 62a_200000210301_100009985557 [0,2,0,0,0,0|2,0,0]=4 1696 B13R1.2357 COC(=O)c1c(ccnc1S[13CH3])F 62a_100015560809_200025704644 [0,2,0,0,0,0|2,0,0]=4 1697 B13R1.2357 COC(=O)c1c(ccnc1S[13CH3])F 62a_200025704644_100015560809 [0,2,0,0,0,0|2,0,0]=4 1698 B13R1.2357 COC(=O)c1c(ccnc1S[13CH3])N 62a_200025704644_100009985557 [0,2,0,0,0,0|2,0,0]=4 1699 B13R1.295 C=C(C)c1nccc(c1C(=O)C)N 271570a_100000694244_200010729368 [0,2,0,0,0,0|1,0,1]=4 1700 B13R1.2137 CCc1c(cccc1C(=O)C)OC 1458a_100000101922_200000210301 [0,2,0,0,0,0|2,0,0]=4 1701 B13R1.2137 CCc1c(cccc1C(=O)[13CH3])OC 1458a_100000101922_200025704644 [0,2,0,0,0,0|2,0,0]=4 1702 B13R1.4012 CCOc1c(cccc1C(=O)C)C 34a_100009847209_100000210202 [0,2,0,0,0,0|2,0,0]=4 1703 B13R1.4012 CCOc1c(cccc1C(=O)C)C 7a_100009847209_100000210202 [0,2,0,0,0,0|2,0,0]=4 1704 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100000210202 [0,2,0,0,0,0|2,0,0]=4 1705 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100000210202 [0,2,0,0,0,0|2,0,0]=4 1706 B13R1.4012 CCOc1c(cccc1C(=O)C)F 34a_100011246037_100000210202 [0,2,0,0,0,0|2,0,0]=4 1707 B13R1.4012 CCOc1c(cccc1C(=O)C)F 7a_100011246037_100000210202 [0,2,0,0,0,0|2,0,0]=4 1708 B13R1.4012 CCSc1c(cccc1C(=O)C)F 62a_100000210202_100012362612 [0,2,0,0,0,0|2,0,0]=4 1709 B13R1.4012 CCSc1c(cccc1C(=O)C)F 62a_100012362612_100000210202 [0,2,0,0,0,0|2,0,0]=4 1710 B13R1.4012 CNCc1c(cccc1C(=O)C)Br 26a_100102657272_100009815558 [0,2,0,0,0,0|2,0,0]=4 1711 B13R1.572 C#CCNc1ncccc1C(=O)C 27a_100000212058_100009816689 [0,2,0,0,0,0|1,0,1]=4 1712 B13R1.572 C#CCNc1nccnc1C(=O)C 27a_100000212058_100000099859 [0,2,0,0,0,0|0,0,1]=3 1713 B13R1.572 C#CCNc1nccnc1C(=O)N 27a_100000212058_100000094861 [0,2,0,0,0,0|1,0,1]=4 1714 B13R1.572 C#CCOc1cccnc1C(=O)C 34a_100000087166_100000184674 [0,2,0,0,0,0|1,0,1]=4 1715 B13R1.572 C#CCOc1cccnc1C(=O)C 7a_100000087166_100000038162 [0,2,0,0,0,0|1,0,1]=4 1716 B13R1.572 C#CCOc1nccnc1C(=O)N 34a_100011830332_100000184674 [0,2,0,0,0,0|1,0,1]=4 1717 B13R1.572 C#CCSc1cccnc1C(=O)C 62a_100000038162_100012348690 [0,2,0,0,0,0|1,0,1]=4 1718 B13R1.572 C#CCSc1ncccc1C(=O)C 62a_100000038162_100000753718 [0,2,0,0,0,0|1,0,1]=4 1719 B13R1.572 C#CCSc1nccnc1C(=O)C 62a_100000038162_100000099859 [0,2,0,0,0,0|0,0,1]=3 1720 B13R1.572 C#CCSc1nccnc1C(=O)N 62a_100000038162_100000094861 [0,2,0,0,0,0|1,0,1]=4 1721 B13R1.572 C=C(C)c1cccnc1NCCO 271570a_100000694244_200011464885 [0,2,0,0,0,0|2,0,0]=4 1722 B13R1.572 C=C(C)c1cccnc1OCCC 271570a_100000694244_200011465209 [0,2,0,0,0,0|2,0,0]=4 1723 B13R1.572 C=C(C)c1ncccc1OCCF 271570a_100000694244_100012814765 [0,2,0,0,0,0|2,0,0]=4 1724 B13R1.572 C=C(C)c1ncccc1OCOC 271570a_100000694244_100011935308 [0,2,0,0,0,0|2,0,0]=4 1725 B13R1.572 C=C(C)c1nccnc1NCCO 271570a_100000694244_200011219046 [0,2,0,0,0,0|1,0,0]=3 1726 B13R1.572 C=CCNc1ncccc1C(=O)C 27a_100020586998_100009816689 [0,2,0,0,0,0|1,0,1]=4 1727 B13R1.572 C=CCNc1nccnc1C(=O)C 27a_100020586998_100000099859 [0,2,0,0,0,0|0,0,1]=3 1728 B13R1.572 C=CCNc1nccnc1C(=O)N 27a_100020586998_100000094861 [0,2,0,0,0,0|1,0,1]=4 1729 B13R1.572 C=CCOc1cccnc1C(=O)C 34a_100000087166_100015514636 [0,2,0,0,0,0|1,0,1]=4 1730 B13R1.572 C=CCOc1cccnc1C(=O)C 7a_100000087166_100015514636 [0,2,0,0,0,0|1,0,1]=4 1731 B13R1.572 C=CCOc1nccnc1C(=O)N 34a_100011830332_100015514636 [0,2,0,0,0,0|1,0,1]=4 1732 B13R1.572 C=CCSc1cccnc1C(=O)C 62a_100000210623_100012348690 [0,2,0,0,0,0|1,0,1]=4 1733 B13R1.572 C=CCSc1cccnc1C(=O)C 62a_100012348690_100000210623 [0,2,0,0,0,0|1,0,1]=4 1734 B13R1.572 C=CCSc1ncccc1C(=O)C 62a_100000210623_100000753718 [0,2,0,0,0,0|1,0,1]=4 1735 B13R1.572 C=CCSc1ncccc1C(=O)C 62a_100000753718_100000210623 [0,2,0,0,0,0|1,0,1]=4 1736 B13R1.572 C=CCSc1nccnc1C(=O)C 62a_100000099859_100000210623 [0,2,0,0,0,0|0,0,1]=3 1737 B13R1.572 C=CCSc1nccnc1C(=O)C 62a_100000210623_100000099859 [0,2,0,0,0,0|0,0,1]=3 1738 B13R1.572 C=CCSc1nccnc1C(=O)N 62a_100000094861_100000210623 [0,2,0,0,0,0|1,0,1]=4 1739 B13R1.572 C=CCSc1nccnc1C(=O)N 62a_100000210623_100000094861 [0,2,0,0,0,0|1,0,1]=4 1740 B13R1.572 CC(=O)c1ccccc1OCCO 1458a_200000217288_200000210301 [0,2,0,0,0,0|2,0,0]=4 1741 B13R1.572 CC(=O)c1ccccc1SCCF 62a_100000751169_100011217306 [0,2,0,0,0,0|2,0,0]=4 1742 B13R1.572 CC(=O)c1ccccc1SCCO 62a_100000751169_100000211926 [0,2,0,0,0,0|2,0,0]=4 1743 B13R1.572 CC(=O)c1cccnc1NCCO 27a_100000210304_100009816689 [0,2,0,0,0,0|1,0,0]=3 1744 B13R1.572 CC(=O)c1cccnc1SCC#N 62a_100000753718_100011215382 [0,2,0,0,0,0|1,0,1]=4 1745 B13R1.572 CC(=O)c1cccnc1SCC#N 62a_100011215382_100000753718 [0,2,0,0,0,0|1,0,1]=4 1746 B13R1.572 CC(=O)c1cccnc1SCC=O 62a_100000753718_200015260668 [0,2,0,0,0,0|1,0,1]=4 1747 B13R1.572 CC(=O)c1cccnc1SCC=O 62a_200015260668_100000753718 [0,2,0,0,0,0|1,0,1]=4 1748 B13R1.572 CC(=O)c1cccnc1SCCF 62a_100000753718_100011217306 [0,2,0,0,0,0|1,0,0]=3 1749 B13R1.572 CC(=O)c1cccnc1SCCF 62a_100011217306_100000753718 [0,2,0,0,0,0|1,0,0]=3 1750 B13R1.572 CC(=O)c1cccnc1SCCO 62a_100000211926_100000753718 [0,2,0,0,0,0|1,0,0]=3 1751 B13R1.572 CC(=O)c1cccnc1SCCO 62a_100000753718_100000211926 [0,2,0,0,0,0|1,0,0]=3 1752 B13R1.572 CC(=O)c1ncccc1OCC#N 7a_100000087166_100011215382 [0,2,0,0,0,0|1,0,1]=4 1753 B13R1.572 CC(=O)c1ncccc1OCC=O 34a_100000087166_200009817547 [0,2,0,0,0,0|1,0,1]=4 1754 B13R1.572 CC(=O)c1ncccc1OCC=O 7a_100000087166_200015260668 [0,2,0,0,0,0|1,0,1]=4 1755 B13R1.572 CC(=O)c1ncccc1OCCF 34a_100000087166_100011217306 [0,2,0,0,0,0|1,0,0]=3 1756 B13R1.572 CC(=O)c1ncccc1OCCF 7a_100000087166_100011217306 [0,2,0,0,0,0|1,0,0]=3 1757 B13R1.572 CC(=O)c1ncccc1OCCO 34a_100000087166_100000211926 [0,2,0,0,0,0|1,0,0]=3 1758 B13R1.572 CC(=O)c1ncccc1OCCO 7a_100000087166_100000211926 [0,2,0,0,0,0|1,0,0]=3 1759 B13R1.572 CC(=O)c1ncccc1SCC#N 62a_100011215382_100012348690 [0,2,0,0,0,0|1,0,1]=4 1760 B13R1.572 CC(=O)c1ncccc1SCC#N 62a_100012348690_100011215382 [0,2,0,0,0,0|1,0,1]=4 1761 B13R1.572 CC(=O)c1ncccc1SCC=O 62a_100012348690_200015260668 [0,2,0,0,0,0|1,0,1]=4 1762 B13R1.572 CC(=O)c1ncccc1SCC=O 62a_200015260668_100012348690 [0,2,0,0,0,0|1,0,1]=4 1763 B13R1.572 CC(=O)c1ncccc1SCCF 62a_100011217306_100012348690 [0,2,0,0,0,0|1,0,0]=3 1764 B13R1.572 CC(=O)c1ncccc1SCCF 62a_100012348690_100011217306 [0,2,0,0,0,0|1,0,0]=3 1765 B13R1.572 CC(=O)c1ncccc1SCCO 62a_100000211926_100012348690 [0,2,0,0,0,0|1,0,0]=3 1766 B13R1.572 CC(=O)c1ncccc1SCCO 62a_100012348690_100000211926 [0,2,0,0,0,0|1,0,0]=3 1767 B13R1.572 CC(=O)c1nccnc1NCCO 27a_100000210304_100000099859 [0,2,0,0,0,0|0,0,0]=2 1768 B13R1.572 CC(=O)c1nccnc1SCC#N 62a_100000099859_100011215382 [0,2,0,0,0,0|0,0,1]=3 1769 B13R1.572 CC(=O)c1nccnc1SCC#N 62a_100011215382_100000099859 [0,2,0,0,0,0|0,0,1]=3 1770 B13R1.572 CC(=O)c1nccnc1SCC=O 62a_100000099859_200015260668 [0,2,0,0,0,0|0,0,1]=3 1771 B13R1.572 CC(=O)c1nccnc1SCC=O 62a_200015260668_100000099859 [0,2,0,0,0,0|0,0,1]=3 1772 B13R1.572 CC(=O)c1nccnc1SCCF 62a_100000099859_100011217306 [0,2,0,0,0,0|0,0,0]=2 1773 B13R1.572 CC(=O)c1nccnc1SCCF 62a_100011217306_100000099859 [0,2,0,0,0,0|0,0,0]=2 1774 B13R1.572 CC(=O)c1nccnc1SCCO 62a_100000099859_100000211926 [0,2,0,0,0,0|0,0,0]=2 1775 B13R1.572 CC(=O)c1nccnc1SCCO 62a_100000211926_100000099859 [0,2,0,0,0,0|0,0,0]=2 1776 B13R1.572 CCCCc1ccccc1C(=O)C 271570a_100020621405_100000751169 [0,2,0,0,0,0|2,0,0]=4 1777 B13R1.572 CCCCc1cccnc1C(=O)C 271570a_100020621405_100012348690 [0,2,0,0,0,0|1,0,0]=3 1778 B13R1.572 CCCCc1cccnc1C(=O)N 271570a_100020621405_200012359670 [0,2,0,0,0,0|2,0,0]=4 1779 B13R1.572 CCCCc1ncccc1C(=O)C 271570a_100020621405_100000753718 [0,2,0,0,0,0|1,0,0]=3 1780 B13R1.572 CCCCc1ncccc1C(=O)N 271570a_100020621405_100000162199 [0,2,0,0,0,0|2,0,0]=4 1781 B13R1.572 CCCCc1nccnc1C(=O)C 271570a_100020621405_100000099859 [0,2,0,0,0,0|0,0,0]=2 1782 B13R1.572 CCCCc1nccnc1C(=O)N 271570a_100020621405_100000094861 [0,2,0,0,0,0|1,0,0]=3 1783 B13R1.572 CCCCc1nccnc1N(C)C 271570a_100020621405_100000703087 [0,2,0,0,0,0|2,0,0]=4 1784 B13R1.572 CCCOc1ccccc1C(=O)C 1458a_100000215688_200000210301 [0,2,0,0,0,0|2,0,0]=4 1785 B13R1.572 CCCOc1ccccc1C(=O)[13CH3] 1458a_100000215688_200025704644 [0,2,0,0,0,0|2,0,0]=4 1786 B13R1.572 CCCOc1cccnc1C(=O)C 34a_100000087166_100000210303 [0,2,0,0,0,0|1,0,0]=3 1787 B13R1.572 CCCOc1cccnc1C(=O)C 7a_100000087166_100000210303 [0,2,0,0,0,0|1,0,0]=3 1788 B13R1.572 CCCOc1cccnc1C(=O)N 34a_200011215183_100000210303 [0,2,0,0,0,0|2,0,0]=4 1789 B13R1.572 CCCOc1cccnc1C(=O)N 7a_200011215183_100000210303 [0,2,0,0,0,0|2,0,0]=4 1790 B13R1.572 CCCOc1nccnc1C(=O)N 34a_100011830332_100000210303 [0,2,0,0,0,0|1,0,0]=3 1791 B13R1.572 CCCSc1ccccc1C(=O)C 1458a_100000217225_200000210301 [0,2,0,0,0,0|2,0,0]=4 1792 B13R1.572 CCCSc1ccccc1C(=O)C 62a_100000751169_100000210303 [0,2,0,0,0,0|2,0,0]=4 1793 B13R1.572 CCCSc1ccccc1C(=O)[13CH3] 1458a_100000217225_200025704644 [0,2,0,0,0,0|2,0,0]=4 1794 B13R1.572 CCCSc1cccnc1C(=O)C 62a_100000210303_100012348690 [0,2,0,0,0,0|1,0,0]=3 1795 B13R1.572 CCCSc1cccnc1C(=O)C 62a_100012348690_100000210303 [0,2,0,0,0,0|1,0,0]=3 1796 B13R1.572 CCCSc1cccnc1C(=O)N 62a_100000210303_200012359670 [0,2,0,0,0,0|2,0,0]=4 1797 B13R1.572 CCCSc1cccnc1C(=O)N 62a_200012359670_100000210303 [0,2,0,0,0,0|2,0,0]=4 1798 B13R1.572 CCCSc1ncccc1C(=O)C 62a_100000210303_100000753718 [0,2,0,0,0,0|1,0,0]=3 1799 B13R1.572 CCCSc1ncccc1C(=O)C 62a_100000753718_100000210303 [0,2,0,0,0,0|1,0,0]=3 1800 B13R1.572 CCCSc1ncccc1C(=O)N 62a_100000162199_100000210303 [0,2,0,0,0,0|2,0,0]=4 1801 B13R1.572 CCCSc1ncccc1C(=O)N 62a_100000210303_100000162199 [0,2,0,0,0,0|2,0,0]=4 1802 B13R1.572 CCCSc1nccnc1C(=O)C 62a_100000099859_100000210303 [0,2,0,0,0,0|0,0,0]=2 1803 B13R1.572 CCCSc1nccnc1C(=O)C 62a_100000210303_100000099859 [0,2,0,0,0,0|0,0,0]=2 1804 B13R1.572 CCCSc1nccnc1C(=O)N 62a_100000094861_100000210303 [0,2,0,0,0,0|1,0,0]=3 1805 B13R1.572 CCCSc1nccnc1C(=O)N 62a_100000210303_100000094861 [0,2,0,0,0,0|1,0,0]=3 1806 B13R1.572 CCCSc1nccnc1N(C)C 62a_100000210303_100000703087 [0,2,0,0,0,0|2,0,0]=4 1807 B13R1.572 CC[Hg]Sc1ccccc1C(=O)C 1458a_100000046266_200000210301 [0,2,0,0,0,0|2,0,0]=4 1808 B13R1.572 CC[Hg]Sc1ccccc1C(=O)[13CH3] 1458a_100000046266_200025704644 [0,2,0,0,0,0|2,0,0]=4 1809 B13R1.572 CN(C)c1nccnc1NCCO 27a_100000210304_100000703087 [0,2,0,0,0,0|2,0,0]=4 1810 B13R1.572 CN(C)c1nccnc1SCCF 62a_100011217306_100000703087 [0,2,0,0,0,0|2,0,0]=4 1811 B13R1.572 CN(C)c1nccnc1SCCO 62a_100000211926_100000703087 [0,2,0,0,0,0|2,0,0]=4 1812 B13R1.572 COCSc1ccccc1C(=O)C 62a_100000751169_100000766300 [0,2,0,0,0,0|2,0,0]=4 1813 B13R1.572 COCSc1cccnc1C(=O)C 62a_100000766300_100012348690 [0,2,0,0,0,0|1,0,0]=3 1814 B13R1.572 COCSc1cccnc1C(=O)C 62a_100012348690_100000766300 [0,2,0,0,0,0|1,0,0]=3 1815 B13R1.572 COCSc1cccnc1C(=O)N 62a_100000766300_200012359670 [0,2,0,0,0,0|2,0,0]=4 1816 B13R1.572 COCSc1cccnc1C(=O)N 62a_200012359670_100000766300 [0,2,0,0,0,0|2,0,0]=4 1817 B13R1.572 COCSc1ncccc1C(=O)C 62a_100000753718_100000766300 [0,2,0,0,0,0|1,0,0]=3 1818 B13R1.572 COCSc1ncccc1C(=O)C 62a_100000766300_100000753718 [0,2,0,0,0,0|1,0,0]=3 1819 B13R1.572 COCSc1ncccc1C(=O)N 62a_100000162199_100000766300 [0,2,0,0,0,0|2,0,0]=4 1820 B13R1.572 COCSc1ncccc1C(=O)N 62a_100000766300_100000162199 [0,2,0,0,0,0|2,0,0]=4 1821 B13R1.572 COCSc1nccnc1C(=O)C 62a_100000099859_100000766300 [0,2,0,0,0,0|0,0,0]=2 1822 B13R1.572 COCSc1nccnc1C(=O)C 62a_100000766300_100000099859 [0,2,0,0,0,0|0,0,0]=2 1823 B13R1.572 COCSc1nccnc1C(=O)N 62a_100000094861_100000766300 [0,2,0,0,0,0|1,0,0]=3 1824 B13R1.572 COCSc1nccnc1C(=O)N 62a_100000766300_100000094861 [0,2,0,0,0,0|1,0,0]=3 1825 B13R1.572 COCSc1nccnc1N(C)C 62a_100000766300_100000703087 [0,2,0,0,0,0|2,0,0]=4 1826 B13R1.572 CSCOc1cccnc1C(=O)C 34a_100000087166_100011218213 [0,2,0,0,0,0|1,0,0]=3 1827 B13R1.572 CSCOc1cccnc1C(=O)N 34a_200011215183_100011218213 [0,2,0,0,0,0|2,0,0]=4 1828 B13R1.572 CSCOc1nccnc1C(=O)N 34a_100011830332_100011218213 [0,2,0,0,0,0|1,0,0]=3 1829 B13R1.572 CSCSc1ccccc1C(=O)C 62a_100000751169_100011218213 [0,2,0,0,0,0|2,0,0]=4 1830 B13R1.572 CSCSc1cccnc1C(=O)C 62a_100011218213_100012348690 [0,2,0,0,0,0|1,0,0]=3 1831 B13R1.572 CSCSc1cccnc1C(=O)C 62a_100012348690_100011218213 [0,2,0,0,0,0|1,0,0]=3 1832 B13R1.572 CSCSc1cccnc1C(=O)N 62a_100011218213_200012359670 [0,2,0,0,0,0|2,0,0]=4 1833 B13R1.572 CSCSc1cccnc1C(=O)N 62a_200012359670_100011218213 [0,2,0,0,0,0|2,0,0]=4 1834 B13R1.572 CSCSc1ncccc1C(=O)C 62a_100000753718_100011218213 [0,2,0,0,0,0|1,0,0]=3 1835 B13R1.572 CSCSc1ncccc1C(=O)C 62a_100011218213_100000753718 [0,2,0,0,0,0|1,0,0]=3 1836 B13R1.572 CSCSc1ncccc1C(=O)N 62a_100000162199_100011218213 [0,2,0,0,0,0|2,0,0]=4 1837 B13R1.572 CSCSc1ncccc1C(=O)N 62a_100011218213_100000162199 [0,2,0,0,0,0|2,0,0]=4 1838 B13R1.572 CSCSc1nccnc1C(=O)C 62a_100000099859_100011218213 [0,2,0,0,0,0|0,0,0]=2 1839 B13R1.572 CSCSc1nccnc1C(=O)C 62a_100011218213_100000099859 [0,2,0,0,0,0|0,0,0]=2 1840 B13R1.572 CSCSc1nccnc1C(=O)N 62a_100000094861_100011218213 [0,2,0,0,0,0|1,0,0]=3 1841 B13R1.572 CSCSc1nccnc1C(=O)N 62a_100011218213_100000094861 [0,2,0,0,0,0|1,0,0]=3 1842 B13R1.572 CSCSc1nccnc1N(C)C 62a_100011218213_100000703087 [0,2,0,0,0,0|2,0,0]=4 1843 B13R1.572 N#CCSc1nccnc1C(=O)N 62a_100000094861_100011215382 [0,2,0,0,0,0|1,0,1]=4 1844 B13R1.572 N#CCSc1nccnc1C(=O)N 62a_100011215382_100000094861 [0,2,0,0,0,0|1,0,1]=4 1845 B13R1.572 NC(=O)c1cccnc1NCCO 27a_100000210304_100000162199 [0,2,0,0,0,0|2,0,0]=4 1846 B13R1.572 NC(=O)c1cccnc1SCCF 62a_100000162199_100011217306 [0,2,0,0,0,0|2,0,0]=4 1847 B13R1.572 NC(=O)c1cccnc1SCCF 62a_100011217306_100000162199 [0,2,0,0,0,0|2,0,0]=4 1848 B13R1.572 NC(=O)c1cccnc1SCCO 62a_100000162199_100000211926 [0,2,0,0,0,0|2,0,0]=4 1849 B13R1.572 NC(=O)c1cccnc1SCCO 62a_100000211926_100000162199 [0,2,0,0,0,0|2,0,0]=4 1850 B13R1.572 NC(=O)c1ncccc1NCCO 27a_100000210304_200012359670 [0,2,0,0,0,0|2,0,0]=4 1851 B13R1.572 NC(=O)c1ncccc1OCCF 34a_200011215183_100011217306 [0,2,0,0,0,0|2,0,0]=4 1852 B13R1.572 NC(=O)c1ncccc1OCCF 7a_200011215183_100011217306 [0,2,0,0,0,0|2,0,0]=4 1853 B13R1.572 NC(=O)c1ncccc1OCCO 34a_200011215183_100000211926 [0,2,0,0,0,0|2,0,0]=4 1854 B13R1.572 NC(=O)c1ncccc1OCCO 7a_200011215183_100000211926 [0,2,0,0,0,0|2,0,0]=4 1855 B13R1.572 NC(=O)c1ncccc1SCCF 62a_100011217306_200012359670 [0,2,0,0,0,0|2,0,0]=4 1856 B13R1.572 NC(=O)c1ncccc1SCCF 62a_200012359670_100011217306 [0,2,0,0,0,0|2,0,0]=4 1857 B13R1.572 NC(=O)c1ncccc1SCCO 62a_100000211926_200012359670 [0,2,0,0,0,0|2,0,0]=4 1858 B13R1.572 NC(=O)c1ncccc1SCCO 62a_200012359670_100000211926 [0,2,0,0,0,0|2,0,0]=4 1859 B13R1.572 NC(=O)c1nccnc1NCCO 27a_100000210304_100000094861 [0,2,0,0,0,0|1,0,0]=3 1860 B13R1.572 NC(=O)c1nccnc1OCC=O 34a_100011830332_200009817547 [0,2,0,0,0,0|1,0,1]=4 1861 B13R1.572 NC(=O)c1nccnc1OCCF 34a_100011830332_100011217306 [0,2,0,0,0,0|1,0,0]=3 1862 B13R1.572 NC(=O)c1nccnc1OCCO 34a_100011830332_100000211926 [0,2,0,0,0,0|1,0,0]=3 1863 B13R1.572 NC(=O)c1nccnc1SCC=O 62a_100000094861_200015260668 [0,2,0,0,0,0|1,0,1]=4 1864 B13R1.572 NC(=O)c1nccnc1SCC=O 62a_200015260668_100000094861 [0,2,0,0,0,0|1,0,1]=4 1865 B13R1.572 NC(=O)c1nccnc1SCCF 62a_100000094861_100011217306 [0,2,0,0,0,0|1,0,0]=3 1866 B13R1.572 NC(=O)c1nccnc1SCCF 62a_100011217306_100000094861 [0,2,0,0,0,0|1,0,0]=3 1867 B13R1.572 NC(=O)c1nccnc1SCCO 62a_100000094861_100000211926 [0,2,0,0,0,0|1,0,0]=3 1868 B13R1.572 NC(=O)c1nccnc1SCCO 62a_100000211926_100000094861 [0,2,0,0,0,0|1,0,0]=3 1869 B13R1.572 [13CH3]C(=O)c1ccccc1OCCO 1458a_200000217288_200025704644 [0,2,0,0,0,0|2,0,0]=4 1870 B13R1.2897 CC(=O)c1c(ccnc1SCF)N 62a_100015361967_200010729368 [0,2,0,0,0,0|2,0,0]=4 1871 B13R1.2897 CC(=O)c1c(ccnc1SCF)N 62a_200010729368_100015361967 [0,2,0,0,0,0|2,0,0]=4 1872 B13R1.2897 CC=Cc1nccc(c1C(=O)C)N 271570a_100016259895_200010729368 [0,2,0,0,0,0|1,0,1]=4 1873 B13R1.2897 CCOc1cccc(c1C(=O)C)Br 34a_100010174959_100000210202 [0,2,0,0,0,0|2,0,0]=4 1874 B13R1.2897 CCOc1cccc(c1C(=O)C)Br 7a_100010174959_100000210202 [0,2,0,0,0,0|2,0,0]=4 1875 B13R1.2897 CCOc1cccc(c1C(=O)C)C 1458a_200009913675_200000210301 [0,2,0,0,0,0|2,0,0]=4 1876 B13R1.2897 CCOc1cccc(c1C(=O)C)C 34a_100009860897_100000210202 [0,2,0,0,0,0|2,0,0]=4 1877 B13R1.2897 CCOc1cccc(c1C(=O)C)C 7a_100009860897_100000210202 [0,2,0,0,0,0|2,0,0]=4 1878 B13R1.2897 CCOc1cccc(c1C(=O)C)Cl 34a_100000730630_100000210202 [0,2,0,0,0,0|2,0,0]=4 1879 B13R1.2897 CCOc1cccc(c1C(=O)C)Cl 7a_100000730630_100000210202 [0,2,0,0,0,0|2,0,0]=4 1880 B13R1.2897 CCOc1cccc(c1C(=O)C)F 34a_100011216272_100000210202 [0,2,0,0,0,0|2,0,0]=4 1881 B13R1.2897 CCOc1cccc(c1C(=O)C)F 7a_100011216272_100000210202 [0,2,0,0,0,0|2,0,0]=4 1882 B13R1.2897 CCOc1cccc(c1C(=O)[13CH3])C 1458a_200009913675_200025704644 [0,2,0,0,0,0|2,0,0]=4 1883 B13R1.2897 CCSc1cccc(c1C(=O)C)F 62a_100012351873_100000210202 [0,2,0,0,0,0|2,0,0]=4 1884 B13R1.2897 CCSc1nccc(c1C(=O)C)N 62a_100000210202_200010729368 [0,2,0,0,0,0|1,0,0]=3 1885 B13R1.2897 CCSc1nccc(c1C(=O)C)N 62a_200010729368_100000210202 [0,2,0,0,0,0|1,0,0]=3 1886 B13R1.2897 CNCc1cccc(c1C(=O)C)Br 26a_100102657272_100010174959 [0,2,0,0,0,0|2,0,0]=4 1887 B13R1.2356 CCc1cccc(c1C(=O)C)CC 1458a_100000092080_200000210301 [0,2,0,0,0,0|2,0,0]=4 1888 B13R1.2356 CCc1cccc(c1C(=O)[13CH3])CC 1458a_100000092080_200025704644 [0,2,0,0,0,0|2,0,0]=4 1889 B11R1.27 CCNN=Cc1ncc(s1)C 4a_100000756455_100011361622 [0,0,1,1,0,0|1,1,0]=4 1890 B11R1.57 CCc1nccn1CC(=O)C 1458a_100000740297_200000210301 [0,0,1,1,0,0|0,0,2]=4 1891 B11R1.57 CCc1nccn1CC(=O)[13CH3] 1458a_100000740297_200025704644 [0,0,1,1,0,0|0,0,2]=4 1892 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,0,1,1,0,0|1,0,1]=4 1893 B11R2.55 Cc1nccnc1C2CC2 271570a_100011220607_100011999405 [1,0,0,1,0,0|1,0,1]=4 1894 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,0,0,1,0,1|2,0,0]=4 1895 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,0,0,1,0,1|2,0,0]=4 1896 B13R2.621 CCc1nccnc1NC2CC2 27a_100000212008_100011995844 [0,0,0,1,0,1|1,0,1]=4 1897 B13R2.621 CCc1nccnc1SC2CC2 62a_100011995844_100000211595 [0,0,0,1,0,1|1,0,1]=4 1898 B13R2.162 O=C1CCCc2c1cc(cc2)O 271570a_203496583355_100000760428 [0,1,0,1,0,0|2,0,0]=4 1899 B13R2.162 O=C1CCCc2c1nc(cc2)O 271570a_203496583355_100000693748 [0,1,0,1,0,0|1,0,0]=3 1900 B13R2.162 O=C1NCCc2c1cc(cn2)O 271570a_203496583355_100010128719 [0,1,0,1,0,0|2,0,0]=4 1901 B13R2.5179 O=C1CCCc2c1ccc(c2)O 271570a_203496583355_100000688402 [0,1,0,1,0,0|2,0,0]=4 1902 B13R2.5179 O=C1CCCc2c1ccc(n2)O 271570a_203496583355_100000089724 [0,1,0,1,0,0|1,0,0]=3 1903 B13R2.5179 O=C1CCNc2c1ccc(n2)O 271570a_203496583355_100010209495 [0,1,0,1,0,0|2,0,0]=4 1904 B13R2.5179 O=C1CCOc2c1ncc(c2)O 271570a_203496583355_100011092978 [0,1,0,1,0,0|2,0,0]=4 1905 B13R2.5179 O=C1NCCc2c1ccc(n2)O 271570a_203496583355_100009858568 [0,1,0,1,0,0|2,0,0]=4 1906 B13R2.2528 CCc1nccnc1N2CCC2 27a_100000754969_100011995844 [0,1,0,1,0,0|2,0,0]=4 1907 B13R2.2931 CNC1CC(=O)c2c1cccc2 2230a_106832991635_100010208147 [0,1,0,1,0,0|2,0,0]=4 1908 B13R2.2931 CNC1CC(=O)c2c1cccc2 7a_106832991635_100010208147 [0,1,0,1,0,0|2,0,0]=4 1909 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_100010208147_200000210301 [0,1,0,1,0,0|2,0,0]=4 1910 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_200000210301_100010208147 [0,1,0,1,0,0|2,0,0]=4 1911 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_100010208147_200025704644 [0,1,0,1,0,0|2,0,0]=4 1912 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_200025704644_100010208147 [0,1,0,1,0,0|2,0,0]=4 1913 B13R2.342 O=C1CCCc2c1cccc2O 271570a_203496583355_100000691372 [0,1,0,1,0,0|2,0,0]=4 1914 B13R2.5569 C=C(C)c1nccc2c1CCN2 271570a_100000694244_100000104060 [0,1,0,1,0,0|2,0,0]=4 1915 B13R2.5569 CC(=O)c1cccc2c1CCC2 1458a_100000051556_200000210301 [0,1,0,1,0,0|2,0,0]=4 1916 B13R2.5569 CC(=O)c1cccc2c1OCC2 1458a_100011216994_200000210301 [0,1,0,1,0,0|2,0,0]=4 1917 B13R2.5569 [13CH3]C(=O)c1cccc2c1CCC2 1458a_100000051556_200025704644 [0,1,0,1,0,0|2,0,0]=4 1918 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCC2 1458a_100011216994_200025704644 [0,1,0,1,0,0|2,0,0]=4 1919 B13R2.5514 C=C(C)c1ncccc1C2CC2 271570a_100000694244_100009851976 [0,1,0,1,0,0|2,0,0]=4 1920 B13R2.5514 CC(=O)c1ccccc1C2CC2 1458a_100011688854_200000210301 [0,1,0,1,0,0|2,0,0]=4 1921 B13R2.5514 CC(=O)c1ccccc1C2CC2 271570a_100011220607_100000751169 [0,1,0,1,0,0|2,0,0]=4 1922 B13R2.5514 CC(=O)c1cccnc1C2CC2 271570a_100011220607_100000753718 [0,1,0,1,0,0|1,0,0]=3 1923 B13R2.5514 CC(=O)c1ncccc1C2CC2 271570a_100011220607_100012348690 [0,1,0,1,0,0|1,0,0]=3 1924 B13R2.5514 CC(=O)c1nccnc1C2CC2 271570a_100011220607_100000099859 [0,1,0,1,0,0|0,0,0]=2 1925 B13R2.5514 CN(C)c1nccnc1C2CC2 271570a_100011220607_100000703087 [0,1,0,1,0,0|2,0,0]=4 1926 B13R2.5514 NC(=O)c1cccnc1C2CC2 271570a_100011220607_100000162199 [0,1,0,1,0,0|2,0,0]=4 1927 B13R2.5514 NC(=O)c1ncccc1C2CC2 271570a_100011220607_200012359670 [0,1,0,1,0,0|2,0,0]=4 1928 B13R2.5514 NC(=O)c1nccnc1C2CC2 271570a_100011220607_100000094861 [0,1,0,1,0,0|1,0,0]=3 1929 B13R2.5514 [13CH3]C(=O)c1ccccc1C2CC2 1458a_100011688854_200025704644 [0,1,0,1,0,0|2,0,0]=4 1930 B13R2.268 CCOc1nccnc1C2CC2 271570a_100011220607_200010128176 [0,1,0,1,0,0|1,0,1]=4 1931 B13R2.4818 O=C1CCCc2c1c(ccc2)O 271570a_203496583355_100009816782 [0,1,0,1,0,0|2,0,0]=4 1932 B9R1.14 C=Cc1ccnn1CC 271570a_100011290941_100000728327 [1,0,0,0,1,0|1,0,1]=4 1933 B9R1.14 C=Cc1nccn1CC 271570a_100011290941_100011617267 [1,0,0,0,1,0|1,0,1]=4 1934 B9R1.14 C=Cc1ncnn1CC 271570a_100011290941_100009879425 [1,0,0,0,1,0|1,0,1]=4 1935 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [1,0,0,0,1,0|1,0,1]=4 1936 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [1,0,0,0,1,0|2,0,0]=4 1937 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [1,0,0,0,1,0|2,0,0]=4 1938 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [1,0,0,0,1,0|2,0,0]=4 1939 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [1,0,0,0,1,0|2,0,0]=4 1940 B9R1.14 CCn1ccnc1SC 62a_100011617267_200000210301 [1,0,0,0,1,0|2,0,0]=4 1941 B9R1.14 CCn1ccnc1SC 62a_200000210301_100011617267 [1,0,0,0,1,0|2,0,0]=4 1942 B9R1.14 CCn1ccnc1S[13CH3] 62a_100011617267_200025704644 [1,0,0,0,1,0|2,0,0]=4 1943 B9R1.14 CCn1ccnc1S[13CH3] 62a_200025704644_100011617267 [1,0,0,0,1,0|2,0,0]=4 1944 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [1,0,0,0,1,0|2,0,0]=4 1945 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [1,0,0,0,1,0|2,0,0]=4 1946 B9R1.14 CCn1nccc1SC 62a_100000728327_200000210301 [1,0,0,0,1,0|2,0,0]=4 1947 B9R1.14 CCn1nccc1SC 62a_200000210301_100000728327 [1,0,0,0,1,0|2,0,0]=4 1948 B9R1.14 CCn1nccc1S[13CH3] 62a_100000728327_200025704644 [1,0,0,0,1,0|2,0,0]=4 1949 B9R1.14 CCn1nccc1S[13CH3] 62a_200025704644_100000728327 [1,0,0,0,1,0|2,0,0]=4 1950 B9R1.14 CCn1ncnc1NC 27a_100102657272_100009879425 [1,0,0,0,1,0|2,0,0]=4 1951 B9R1.14 CCn1ncnc1SC 62a_100009879425_200000210301 [1,0,0,0,1,0|2,0,0]=4 1952 B9R1.14 CCn1ncnc1SC 62a_200000210301_100009879425 [1,0,0,0,1,0|2,0,0]=4 1953 B9R1.14 CCn1ncnc1S[13CH3] 62a_100009879425_200025704644 [1,0,0,0,1,0|2,0,0]=4 1954 B9R1.14 CCn1ncnc1S[13CH3] 62a_200025704644_100009879425 [1,0,0,0,1,0|2,0,0]=4 1955 B9R1.14 CSc1[nH]cnc1C=O 62a_100015192532_200000210301 [1,0,0,0,1,0|1,0,1]=4 1956 B9R1.14 CSc1[nH]cnc1C=O 62a_200000210301_100015192532 [1,0,0,0,1,0|1,0,1]=4 1957 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [1,0,0,0,1,0|2,0,0]=4 1958 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [1,0,0,0,1,0|2,0,0]=4 1959 B9R1.14 CSc1ccsc1C=O 62a_100000766043_200000210301 [1,0,0,0,1,0|2,0,0]=4 1960 B9R1.14 CSc1ccsc1C=O 62a_200000210301_100000766043 [1,0,0,0,1,0|2,0,0]=4 1961 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [1,0,0,0,1,0|2,0,0]=4 1962 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [1,0,0,0,1,0|2,0,0]=4 1963 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_100015192532_200025704644 [1,0,0,0,1,0|1,0,1]=4 1964 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_200025704644_100015192532 [1,0,0,0,1,0|1,0,1]=4 1965 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [1,0,0,0,1,0|2,0,0]=4 1966 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [1,0,0,0,1,0|2,0,0]=4 1967 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_100000766043_200025704644 [1,0,0,0,1,0|2,0,0]=4 1968 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_200025704644_100000766043 [1,0,0,0,1,0|2,0,0]=4 1969 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [1,0,0,0,1,0|2,0,0]=4 1970 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [1,0,0,0,1,0|2,0,0]=4 1971 B9R1.41 C=C(C)c1c[nH]nc1C 271570a_100000694244_100011912673 [1,0,0,0,1,0|2,0,0]=4 1972 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [1,0,0,0,1,0|2,0,0]=4 1973 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [1,0,0,0,1,0|2,0,0]=4 1974 B9R1.41 C=C(C)c1n[nH]cc1C 271570a_100000694244_100009871783 [1,0,0,0,1,0|2,0,0]=4 1975 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [1,0,0,0,1,0|1,0,1]=4 1976 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [1,0,0,0,1,0|2,0,0]=4 1977 B9R1.41 C=C(C)c1ncnn1C 271570a_100000694244_100000732653 [1,0,0,0,1,0|2,0,0]=4 1978 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [1,0,0,0,1,0|2,0,0]=4 1979 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [1,0,0,0,1,0|2,0,0]=4 1980 B9R1.41 C=C(C)c1scnc1C 271570a_100000694244_100009817116 [1,0,0,0,1,0|2,0,0]=4 1981 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,0,0,0,1,0|2,0,0]=4 1982 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [1,0,0,0,1,0|2,0,0]=4 1983 B13R1.90 C=C(C)CNc1nccnc1CC 27a_100000765925_100011995844 [0,0,0,0,0,2|1,0,0]=3 1984 B13R1.90 C=C(C)CNc1nccnc1OC 27a_100000765925_100009858322 [0,0,0,0,0,2|2,0,0]=4 1985 B13R1.90 C=C(C)CSc1cccnc1CC 62a_100000748629_100009877225 [0,0,0,0,0,2|2,0,0]=4 1986 B13R1.90 C=C(C)CSc1cccnc1CC 62a_100009877225_100000211660 [0,0,0,0,0,2|2,0,0]=4 1987 B13R1.90 C=C(C)CSc1nccnc1CC 62a_100000748629_100011995844 [0,0,0,0,0,2|1,0,0]=3 1988 B13R1.90 C=C(C)CSc1nccnc1CC 62a_100011995844_100000211660 [0,0,0,0,0,2|1,0,0]=3 1989 B13R1.90 C=C(C)CSc1nccnc1CN 62a_100000729963_100000211660 [0,0,0,0,0,2|2,0,0]=4 1990 B13R1.90 C=C(C)CSc1nccnc1CN 62a_100000748629_100000729963 [0,0,0,0,0,2|2,0,0]=4 1991 B13R1.90 C=C(C)CSc1nccnc1CO 62a_100000057004_100000211660 [0,0,0,0,0,2|2,0,0]=4 1992 B13R1.90 C=C(C)CSc1nccnc1CO 62a_100000748629_100000057004 [0,0,0,0,0,2|2,0,0]=4 1993 B13R1.90 C=C(C)CSc1nccnc1NC 62a_100000748629_100011529439 [0,0,0,0,0,2|2,0,0]=4 1994 B13R1.90 C=C(C)CSc1nccnc1OC 62a_100000748629_100000749998 [0,0,0,0,0,2|2,0,0]=4 1995 B13R1.90 C=C(C)CSc1nccnc1OC 62a_100009858322_100000211660 [0,0,0,0,0,2|2,0,0]=4 1996 B13R1.90 C=C(F)CSc1nccnc1CC 62a_100000042424_100011995844 [0,0,0,0,0,2|1,0,1]=4 1997 B13R1.90 C=C(F)CSc1nccnc1CC 62a_100011995844_100000042424 [0,0,0,0,0,2|1,0,1]=4 1998 B13R1.90 CCc1ccccc1NNC(=O)C 22a_100000737054_100000070787 [0,0,0,0,0,2|2,0,0]=4 1999 B13R1.90 CCc1ccccc1OCC(=O)C 1458a_100000182566_200000210301 [0,0,0,0,0,2|2,0,0]=4 2000 B13R1.90 CCc1ccccc1OCC(=O)[13CH3] 1458a_100000182566_200025704644 [0,0,0,0,0,2|2,0,0]=4 2001 B13R1.90 CCc1ncccc1SCC(=O)N 62a_100000747473_100009877225 [0,0,0,0,0,2|2,0,0]=4 2002 B13R1.90 CCc1ncccc1SCC(=O)N 62a_100009877225_100000747473 [0,0,0,0,0,2|2,0,0]=4 2003 B13R1.90 CCc1ncccc1SCC(=O)[O-] 62a_100009877225_100020667443 [0,0,0,0,0,2|2,0,0]=4 2004 B13R1.90 CCc1ncccc1SCC(=O)[O-] 62a_100020667443_100009877225 [0,0,0,0,0,2|2,0,0]=4 2005 B13R1.90 CCc1nccnc1C=CC(C)C 271570a_100016257149_100011995844 [0,0,0,0,0,2|1,0,1]=4 2006 B13R1.90 CCc1nccnc1C=CC(C)O 271570a_200011019289_100011995844 [0,0,0,0,0,2|0,0,2]=4 2007 B13R1.90 CCc1nccnc1NCC(C)C 27a_100000210953_100011995844 [0,0,0,0,0,2|1,0,1]=4 2008 B13R1.90 CCc1nccnc1NCC(C)O 27a_100000210904_100011995844 [0,0,0,0,0,2|0,0,2]=4 2009 B13R1.90 CCc1nccnc1SCC(=O)N 62a_100000747473_100011995844 [0,0,0,0,0,2|1,0,0]=3 2010 B13R1.90 CCc1nccnc1SCC(=O)N 62a_100011995844_100000747473 [0,0,0,0,0,2|1,0,0]=3 2011 B13R1.90 CCc1nccnc1SCC(=O)[O-] 62a_100011995844_100020667443 [0,0,0,0,0,2|1,0,0]=3 2012 B13R1.90 CCc1nccnc1SCC(=O)[O-] 62a_100020667443_100011995844 [0,0,0,0,0,2|1,0,0]=3 2013 B13R1.90 CCc1nccnc1SCC(C)C 62a_100000210624_100011995844 [0,0,0,0,0,2|1,0,1]=4 2014 B13R1.90 CCc1nccnc1SCC(C)C 62a_100011995844_100000210760 [0,0,0,0,0,2|1,0,1]=4 2015 B13R1.90 CCc1nccnc1SCC(C)O 62a_100011218427_100011995844 [0,0,0,0,0,2|0,0,2]=4 2016 B13R1.90 CCc1nccnc1SCC(C)O 62a_100011995844_100011218427 [0,0,0,0,0,2|0,0,2]=4 2017 B13R1.90 CCc1nccnc1SC[C@@H](C)O 62a_100009817552_100011995844 [0,0,0,0,0,2|0,0,2]=4 2018 B13R1.90 CCc1nccnc1SC[C@@H](C)O 62a_100011995844_100009817552 [0,0,0,0,0,2|0,0,2]=4 2019 B13R1.90 CCc1nccnc1SC[N+](=O)[O-] 62a_100011995844_100000761209 [0,0,0,0,0,2|2,0,0]=4 2020 B13R1.90 CNc1nccnc1SCC(=O)N 62a_100000747473_100011529439 [0,0,0,0,0,2|2,0,0]=4 2021 B13R1.90 CNc1nccnc1SCC(=O)[O-] 62a_100020667443_100011529439 [0,0,0,0,0,2|2,0,0]=4 2022 B13R1.90 COc1cccnc1NNC(=O)C 22a_100012020716_100000070787 [0,0,0,0,0,2|2,0,0]=4 2023 B13R1.90 COc1ncccc1C=CC(=O)C 1458a_100102601226_200000210301 [0,0,0,0,0,2|2,0,0]=4 2024 B13R1.90 COc1ncccc1C=CC(=O)[13CH3] 1458a_100102601226_200025704644 [0,0,0,0,0,2|2,0,0]=4 2025 B13R1.90 COc1ncccc1CNC(=O)C 11a_100102524934_100015343762 [0,0,0,0,0,2|2,0,0]=4 2026 B13R1.90 COc1ncccc1CNC(=O)C 1626a_100102524934_100015343762 [0,0,0,0,0,2|2,0,0]=4 2027 B13R1.90 COc1ncccc1CNC(=O)C 240690a_100102524934_100015343762 [0,0,0,0,0,2|2,0,0]=4 2028 B13R1.90 COc1ncccc1CNC(=O)C 527a_100102524934_100103153847 [0,0,0,0,0,2|2,0,0]=4 2029 B13R1.90 COc1ncccc1NNC(=O)C 22a_100159270702_100000070787 [0,0,0,0,0,2|2,0,0]=4 2030 B13R1.90 COc1nccnc1NNC(=O)C 22a_100000702116_100000070787 [0,0,0,0,0,2|1,0,0]=3 2031 B13R1.90 COc1nccnc1SCC(=O)N 62a_100000747473_100000749998 [0,0,0,0,0,2|2,0,0]=4 2032 B13R1.90 COc1nccnc1SCC(=O)N 62a_100009858322_100000747473 [0,0,0,0,0,2|2,0,0]=4 2033 B13R1.90 COc1nccnc1SCC(=O)[O-] 62a_100009858322_100020667443 [0,0,0,0,0,2|2,0,0]=4 2034 B13R1.90 COc1nccnc1SCC(=O)[O-] 62a_100020667443_100000749998 [0,0,0,0,0,2|2,0,0]=4 2035 B13R1.90 NC(=O)CSc1nccnc1CO 62a_100000057004_100000747473 [0,0,0,0,0,2|2,0,0]=4 2036 B13R1.90 NC(=O)CSc1nccnc1CO 62a_100000747473_100000057004 [0,0,0,0,0,2|2,0,0]=4 2037 B13R1.90 NCc1nccnc1SCC(=O)N 62a_100000729963_100000747473 [0,0,0,0,0,2|2,0,0]=4 2038 B13R1.90 NCc1nccnc1SCC(=O)N 62a_100000747473_100000729963 [0,0,0,0,0,2|2,0,0]=4 2039 B13R1.90 NCc1nccnc1SCC(=O)[O-] 62a_100000729963_100020667443 [0,0,0,0,0,2|2,0,0]=4 2040 B13R1.90 NCc1nccnc1SCC(=O)[O-] 62a_100020667443_100000729963 [0,0,0,0,0,2|2,0,0]=4 2041 B13R1.90 O=C([O-])CSc1nccnc1CO 62a_100000057004_100020667443 [0,0,0,0,0,2|2,0,0]=4 2042 B13R1.90 O=C([O-])CSc1nccnc1CO 62a_100020667443_100000057004 [0,0,0,0,0,2|2,0,0]=4