0 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.261 C=C(C)c1cccnc1C(=O)C 271570a_100000694244_100012348690 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.261 C=C(C)c1cccnc1C(=O)N 271570a_100000694244_200012359670 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.261 C=C(C)c1cccnc1[C@H](C)O 271570a_100000694244_100013325542 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.261 C=C(C)c1ncccc1B(O)O 271570a_100000694244_100009815992 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.261 C=C(C)c1ncccc1C(=O)C 271570a_100000694244_100000753718 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.261 C=C(C)c1ncccc1C(=O)N 271570a_100000694244_100000162199 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.261 C=C(C)c1ncccc1C(C)O 271570a_100000694244_100009865335 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.261 C=C(C)c1nccnc1C(=O)C 271570a_100000694244_100000099859 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.261 C=C(C)c1nccnc1C(=O)N 271570a_100000694244_100000094861 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.261 CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_200000210301 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200000210301 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.261 CC(=O)c1cccnc1N(C)C 27a_100102631434_100009816689 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.261 CN(C)c1cccnc1C(=O)N 27a_100102631434_200012359670 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.261 CN(C)c1ncccc1C(=O)N 27a_100102631434_100000162199 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.261 [13CH3]C(=O)c1ccccc1I(=O)=O 1458a_100000061294_200025704644 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.261 [13CH3]C(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200025704644 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.53 C=C(C)c1cccnc1C=O 271570a_100000694244_100011934733 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.53 C=C(C)c1cccnc1CO 271570a_100000694244_100011996772 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.53 C=C(C)c1ncccc1C=O 271570a_100000694244_100009816751 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.53 C=Cc1cccnc1[C@H](C)O 271570a_100011290941_100013325542 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.53 C=Cc1ncccc1B(O)O 271570a_100011290941_100009815992 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.53 C=Cc1ncccc1C(C)O 271570a_100011290941_100009865335 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.53 C=Cc1nccnc1C(=O)C 271570a_100011290941_100000099859 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.53 C=Cc1nccnc1C(=O)N 271570a_100011290941_100000094861 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [1,0,0,0,0,0|3,0,0]=4 73 B13R1.165 C=C(C)c1nc(ccc1C(=O)N)C 271570a_100000694244_100000041523 [0,1,0,0,0,0|3,0,0]=4 74 B13R1.165 C=C(C)c1ncc(cc1C(=O)C)F 271570a_100000694244_100000118324 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.165 C=C(C)c1ncc(cc1C(=O)N)F 271570a_100000694244_100012183597 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.295 C=C(C)c1nccc(c1C(=O)C)N 271570a_100000694244_200010729368 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.547 C=C(C)c1ccccc1C(=O)OC 271570a_100000694244_100000148710 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.547 C=C(C)c1cccnc1C(=O)OC 271570a_100000694244_100011935214 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.547 C=C(C)c1cncnc1C(=O)OC 271570a_100000694244_100012360100 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.547 C=C(C)c1ncccc1C(=O)NC 271570a_100000694244_100000159833 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.547 C=C(C)c1ncccc1C(=O)OC 271570a_100000694244_100000150852 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.547 C=C(C)c1nccnc1C(=O)OC 271570a_100000694244_100000688410 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.547 C=C(C)c1ncncc1C(=O)OC 271570a_100000694244_100000726419 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.547 COC(=O)c1ccccc1C(=O)C 1458a_100011215673_200000210301 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.547 COC(=O)c1ccccc1C(=O)[13CH3] 1458a_100011215673_200025704644 [0,1,0,0,0,0|2,0,0]=3 86 B13R1.547 COC(=O)c1cccnc1N(C)C 27a_100102631434_100000150852 [0,1,0,0,0,0|3,0,0]=4 87 B13R2.371 Cc1ccc(c2c1nccc2)O 271570a_203496583355_100000694312 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.371 Nc1ccc(c2c1cccn2)O 271570a_203496583355_100012360041 [0,0,0,1,0,0|3,0,0]=4 89 B13R2.371 Nc1ccc(c2c1nccc2)O 271570a_203496583355_100000726955 [0,0,0,1,0,0|3,0,0]=4 90 B13R2.371 Nc1ncc(c2c1cccn2)O 271570a_203496583355_100010383929 [0,0,0,1,0,0|3,0,0]=4 91 B13R2.371 O=c1[nH]nc(c2c1cccc2)O 271570a_203496583355_100010235092 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.371 O=c1[nH]nc(c2c1cccn2)O 271570a_203496583355_200021304518 [0,0,0,1,0,0|2,0,0]=3 93 B13R2.371 O=c1[nH]nc(c2c1nccc2)O 271570a_203496583355_100021647086 [0,0,0,1,0,0|2,0,0]=3 94 B13R2.371 Oc1ccc(c2c1cccc2)O 271570a_203496583355_100000186334 [0,0,0,1,0,0|3,0,0]=4 95 B13R2.371 Oc1ccc(c2c1cccn2)F 271570a_203496583355_100010245834 [0,0,0,1,0,0|3,0,0]=4 96 B13R2.371 Oc1ccc(c2c1cccn2)O 271570a_203496583355_100011934063 [0,0,0,1,0,0|2,0,0]=3 97 B13R2.371 Oc1ccc(c2c1nccc2)F 271570a_203496583355_100010214461 [0,0,0,1,0,0|3,0,0]=4 98 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100000067196 [0,0,0,1,0,0|3,0,0]=4 99 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100009816523 [0,0,0,1,0,0|3,0,0]=4 100 B13R1.589 C=C(C)c1ncccc1OC(=O)C 271570a_100000694244_200009815371 [0,0,0,0,0,1|3,0,0]=4 101 B13R1.589 CC(=Cc1cccnc1C(=O)N)C 271570a_100102525489_200012359670 [0,0,0,0,0,1|3,0,0]=4 102 B13R1.589 CC(=Cc1ncccc1C(=O)N)C 271570a_100102525489_100000162199 [0,0,0,0,0,1|3,0,0]=4 103 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100015343762 [0,0,0,0,0,1|3,0,0]=4 104 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100015343762 [0,0,0,0,0,1|3,0,0]=4 105 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000070787 [0,0,0,0,0,1|3,0,0]=4 106 B13R1.589 CC(=O)c1cccnc1C=C(C)C 271570a_100102525489_100000753718 [0,0,0,0,0,1|3,0,0]=4 107 B13R1.589 CC(=O)c1ncccc1C=C(C)C 271570a_100102525489_100012348690 [0,0,0,0,0,1|3,0,0]=4 108 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.20 C=Cc1cccnc1CO 271570a_100011290941_100011996772 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.20 C=Cc1ncccc1C=O 271570a_100011290941_100009816751 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.20 C=Cc1ncccc1CO 271570a_100011290941_100000748726 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.20 CSc1ncccc1C=O 62a_100009816751_200000210301 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.20 CSc1ncccc1C=O 62a_200000210301_100009816751 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_100009816751_200025704644 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_200025704644_100009816751 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [2,0,0,0,0,0|1,0,0]=3 125 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [2,0,0,0,0,0|1,0,0]=3 126 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [2,0,0,0,0,0|1,0,1]=4 128 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [2,0,0,0,0,0|1,0,1]=4 129 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [2,0,0,0,0,0|1,0,0]=3 131 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [2,0,0,0,0,0|1,0,0]=3 132 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.61 OB(O)c1cccnc1O 271570a_203496583355_100009815992 [2,0,0,0,0,0|1,0,1]=4 134 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [2,0,0,0,0,0|2,0,0]=4 135 B12R1.46 C=C(C)c1nc(ccc1C=O)C 271570a_100000694244_100000085379 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.46 C=C(C)c1nc(ccc1C=O)F 271570a_100000694244_100009846357 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.46 C=Cc1ncc(cc1C(=O)C)F 271570a_100011290941_100000118324 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.46 C=Cc1ncc(cc1C(=O)N)F 271570a_100011290941_100012183597 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.57 C=C(C)c1ccc(nc1C=O)C 271570a_100000694244_100010173661 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.57 C=C(C)c1ncc(cc1C=O)C 271570a_100000694244_100000050350 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.57 C=C(C)c1ncc(cc1C=O)F 271570a_100000694244_100000079965 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.57 C=Cc1nc(ccc1C(=O)N)C 271570a_100011290941_100000041523 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.77 C=Cc1cncnc1C(=O)OC 271570a_100011290941_100012360100 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.77 C=Cc1ncccc1C(=O)NC 271570a_100011290941_100000159833 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [1,1,0,0,0,0|1,0,0]=3 148 B12R1.77 C=Cc1nccnc1C(=O)OC 271570a_100011290941_100000688410 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.77 C=Cc1ncncc1C(=O)OC 271570a_100011290941_100000726419 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.87 C=C(C)c1nccc(c1C=O)O 271570a_100000694244_200010729673 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.283 C=C=Cc1cccnc1C(=O)C 271570a_100015277604_100012348690 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.283 C=C=Cc1cccnc1C(=O)N 271570a_100015277604_200012359670 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.283 C=C=Cc1ncccc1C(=O)C 271570a_100015277604_100000753718 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.283 C=C=Cc1ncccc1C(=O)N 271570a_100015277604_100000162199 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.283 CC=Cc1cccnc1C(=O)C 271570a_100016259895_100012348690 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.283 CC=Cc1cccnc1C(=O)N 271570a_100016259895_200012359670 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.283 CC=Cc1ncccc1C(=O)C 271570a_100016259895_100000753718 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.283 CC=Cc1ncccc1C(=O)N 271570a_100016259895_100000162199 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.437 C=Cc1nccc(c1C(=O)C)N 271570a_100011290941_200010729368 [1,1,0,0,0,0|2,0,0]=4 173 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000070787_100000744672 [0,1,0,0,0,1|2,0,0]=4 174 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000695166_200000210301 [0,1,0,0,0,1|2,0,0]=4 175 B14R1.744 COC(=O)c1ccccc1CC(=O)[13CH3] 1458a_100000695166_200025704644 [0,1,0,0,0,1|2,0,0]=4 176 B14R1.744 COC(=O)c1cccnc1C=C(C)C 271570a_100102525489_100000150852 [0,1,0,0,0,1|2,0,0]=4 177 B14R1.744 COC(=O)c1cccnc1CC(=O)C 1458a_100000070787_100000709840 [0,1,0,0,0,1|1,0,0]=3 178 B14R1.744 COC(=O)c1ncccc1C=C(C)C 271570a_100102525489_100011935214 [0,1,0,0,0,1|2,0,0]=4 179 B14R1.744 COC(=O)c1ncccc1CC(=O)C 1458a_100000070787_100010177730 [0,1,0,0,0,1|1,0,0]=3 180 B14R1.3302 C=C(C)c1cccnc1CC(=O)OC 271570a_100000694244_100012347948 [0,1,0,0,0,1|2,0,0]=4 181 B14R1.3302 C=C(C)c1ncccc1CC(=O)OC 271570a_100000694244_100010293180 [0,1,0,0,0,1|2,0,0]=4 182 B14R1.3302 COC(=O)Cc1ccccc1C(=O)C 1458a_100000726341_200000210301 [0,1,0,0,0,1|2,0,0]=4 183 B14R1.3302 COC(=O)Cc1ccccc1C(=O)[13CH3] 1458a_100000726341_200025704644 [0,1,0,0,0,1|2,0,0]=4 184 B14R1.3302 NC(=O)c1ccccc1NC(=O)CO 22a_100000185089_100000210174 [0,1,0,0,0,1|2,0,0]=4 185 B14R1.707 C=C(C)c1ccc(nc1C(=O)OC)N 271570a_100000694244_100009816986 [0,2,0,0,0,0|2,0,0]=4 186 B14R1.707 C=C(C)c1ccc(nc1C(=O)OC)O 271570a_100000694244_100010189638 [0,2,0,0,0,0|2,0,0]=4 187 B14R1.707 C=C(C)c1ncc(cc1C(=O)OC)C 271570a_100000694244_100000085774 [0,2,0,0,0,0|2,0,0]=4 188 B14R1.707 C=C(C)c1ncc(cc1C(=O)OC)F 271570a_100000694244_100012000215 [0,2,0,0,0,0|2,0,0]=4 189 B14R1.707 C=C(C)c1ncc(cc1C(=O)OC)N 271570a_100000694244_200012182668 [0,2,0,0,0,0|2,0,0]=4 190 B14R1.1126 C=C(C)c1cc(cnc1C(=O)OC)C 271570a_100000694244_100010167497 [0,2,0,0,0,0|2,0,0]=4 191 B14R1.1126 C=C(C)c1cc(cnc1C(=O)OC)F 271570a_100000694244_100010189631 [0,2,0,0,0,0|2,0,0]=4 192 B14R1.1126 C=C(C)c1nc(ccc1C(=O)OC)C 271570a_100000694244_100000054099 [0,2,0,0,0,0|2,0,0]=4 193 B14R1.1126 C=C(C)c1nc(ccc1C(=O)OC)N 271570a_100000694244_100009865240 [0,2,0,0,0,0|2,0,0]=4 194 B14R1.1126 C=C(C)c1nc(ccc1C(=O)OC)O 271570a_100000694244_100016008356 [0,2,0,0,0,0|2,0,0]=4 195 B14R1.1126 COC(=O)c1ccc(cc1C(=O)C)F 1458a_200010710419_200000210301 [0,2,0,0,0,0|2,0,0]=4 196 B14R1.1126 COC(=O)c1ccc(cc1C(=O)[13CH3])F 1458a_200010710419_200025704644 [0,2,0,0,0,0|2,0,0]=4 197 B14R1.1153 COC(=O)c1cccc(c1C(=O)C)Br 1458a_100010710481_200000210301 [0,2,0,0,0,0|2,0,0]=4 198 B14R1.1153 COC(=O)c1cccc(c1C(=O)[13CH3])Br 1458a_100010710481_200025704644 [0,2,0,0,0,0|2,0,0]=4 199 B14R1.1164 C=C(C)c1nccc(c1C(=O)OC)F 271570a_100000694244_100015560809 [0,2,0,0,0,0|2,0,0]=4 200 B14R1.1164 C=C(C)c1nccc(c1C(=O)OC)N 271570a_100000694244_100009985557 [0,2,0,0,0,0|2,0,0]=4 201 B14R1.623 C=C(C)c1cccnc1C(=O)OCC 271570a_100000694244_100012351660 [0,2,0,0,0,0|2,0,0]=4 202 B14R1.623 C=C(C)c1ncccc1C(=O)OCC 271570a_100000694244_100000170124 [0,2,0,0,0,0|2,0,0]=4 203 B14R1.746 CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210202 [0,2,0,0,0,0|2,0,0]=4 204 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 1626a_100102657272_100011215673 [0,2,0,0,0,0|2,0,0]=4 205 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 240690a_100102657272_100011215673 [0,2,0,0,0,0|2,0,0]=4 206 B14R1.746 COC(=O)c1ccccc1C(=O)CF 1458a_100011215673_100015361967 [0,2,0,0,0,0|2,0,0]=4 207 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [1,0,0,1,0,0|2,0,0]=4 208 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [1,0,0,1,0,0|2,0,0]=4 209 B12R2.1081 Oc1cncc2c1cccn2 271570a_203496583355_100010211308 [1,0,0,1,0,0|2,0,0]=4 210 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [1,0,0,1,0,0|2,0,0]=4 211 B12R2.1081 Oc1nccc2c1nccc2 271570a_203496583355_100010063729 [1,0,0,1,0,0|2,0,0]=4 212 B14R2.1131 COc1ccc(c2c1nccc2)O 271570a_203496583355_100009820878 [0,1,0,1,0,0|2,0,0]=4 213 B14R2.1131 O=Cc1ccc(c2c1nccc2)O 271570a_203496583355_100000694311 [0,1,0,1,0,0|2,0,0]=4 214 B12R1.75 C=Cc1ncccc1OC(=O)C 271570a_100011290941_200009815371 [1,0,0,0,0,1|2,0,0]=4 215 B12R1.75 CC(=Cc1cccnc1C=O)C 271570a_100102525489_100011934733 [1,0,0,0,0,1|2,0,0]=4 216 B12R1.75 CC(=Cc1ncccc1C=O)C 271570a_100102525489_100009816751 [1,0,0,0,0,1|2,0,0]=4 217 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [1,0,0,0,0,1|2,0,0]=4 218 B12R1.258 CC(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200000210301 [0,0,0,0,1,1|2,0,0]=4 219 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200025704644 [0,0,0,0,1,1|2,0,0]=4 220 B14R1.4522 CC(=O)c1cccnc1SCC(=O)N 62a_100000747473_100000753718 [0,0,0,0,0,2|2,0,0]=4 221 B14R1.4522 CC(=O)c1cccnc1SCC(=O)N 62a_100000753718_100000747473 [0,0,0,0,0,2|2,0,0]=4 222 B14R1.4522 CC(=O)c1cccnc1SCC(=O)[O-] 62a_100000753718_100020667443 [0,0,0,0,0,2|1,0,1]=4 223 B14R1.4522 CC(=O)c1cccnc1SCC(=O)[O-] 62a_100020667443_100000753718 [0,0,0,0,0,2|1,0,1]=4 224 B14R1.4522 CC(=O)c1ncccc1OCC(=O)N 34a_100000087166_100000187820 [0,0,0,0,0,2|2,0,0]=4 225 B14R1.4522 CC(=O)c1ncccc1OCC(=O)N 7a_100000087166_100000187820 [0,0,0,0,0,2|2,0,0]=4 226 B14R1.4522 CC(=O)c1ncccc1OCC(=O)[O-] 34a_100000087166_100020667443 [0,0,0,0,0,2|1,0,1]=4 227 B14R1.4522 CC(=O)c1ncccc1SCC(=O)N 62a_100000747473_100012348690 [0,0,0,0,0,2|2,0,0]=4 228 B14R1.4522 CC(=O)c1ncccc1SCC(=O)N 62a_100012348690_100000747473 [0,0,0,0,0,2|2,0,0]=4 229 B14R1.4522 CC(=O)c1ncccc1SCC(=O)[O-] 62a_100012348690_100020667443 [0,0,0,0,0,2|1,0,1]=4 230 B14R1.4522 CC(=O)c1ncccc1SCC(=O)[O-] 62a_100020667443_100012348690 [0,0,0,0,0,2|1,0,1]=4 231 B14R1.4522 NC(=O)COc1cccnc1C(=O)N 34a_200011215183_100000187820 [0,0,0,0,0,2|2,0,0]=4 232 B14R1.4522 NC(=O)COc1cccnc1C(=O)N 7a_200011215183_100000187820 [0,0,0,0,0,2|2,0,0]=4 233 B14R1.4522 NC(=O)CSc1ccccc1C(=O)O 62a_100000747473_100000734275 [0,0,0,0,0,2|2,0,0]=4 234 B14R1.4522 NC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000747473 [0,0,0,0,0,2|2,0,0]=4 235 B14R1.4522 NC(=O)CSc1cccnc1C(=O)N 62a_100000747473_200012359670 [0,0,0,0,0,2|2,0,0]=4 236 B14R1.4522 NC(=O)CSc1cccnc1C(=O)N 62a_200012359670_100000747473 [0,0,0,0,0,2|2,0,0]=4 237 B14R1.4522 NC(=O)CSc1ncccc1C(=O)N 62a_100000162199_100000747473 [0,0,0,0,0,2|2,0,0]=4 238 B14R1.4522 NC(=O)CSc1ncccc1C(=O)N 62a_100000747473_100000162199 [0,0,0,0,0,2|2,0,0]=4 239 B14R1.4522 NC(=O)c1cccnc1SCC(=O)[O-] 62a_100000162199_100020667443 [0,0,0,0,0,2|1,0,1]=4 240 B14R1.4522 NC(=O)c1cccnc1SCC(=O)[O-] 62a_100020667443_100000162199 [0,0,0,0,0,2|1,0,1]=4 241 B14R1.4522 NC(=O)c1ncccc1OCC(=O)[O-] 34a_200011215183_100020667443 [0,0,0,0,0,2|1,0,1]=4 242 B14R1.4522 NC(=O)c1ncccc1SCC(=O)[O-] 62a_100020667443_200012359670 [0,0,0,0,0,2|1,0,1]=4 243 B14R1.4522 NC(=O)c1ncccc1SCC(=O)[O-] 62a_200012359670_100020667443 [0,0,0,0,0,2|1,0,1]=4 244 B14R1.4522 O=C([O-])CSc1ccccc1C(=O)O 62a_100020667443_100000734275 [0,0,0,0,0,2|1,0,1]=4 245 B14R1.4522 O=C([O-])CSc1ccccc1C(=O)O 62a_202125556159_100020667443 [0,0,0,0,0,2|1,0,1]=4