0 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [1,0,0,0,0,0|1,0,0]=2 19 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.13 C=C(C)c1cnc(cn1)F 271570a_100000694244_100009856528 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.13 C=C(C)c1cnc(cn1)N 271570a_100000694244_100000761932 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.13 C=C(C)c1cnc(nn1)N 271570a_100000694244_100000691435 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.13 CN(C)c1cnc(cn1)Br 27a_100102631434_100010187541 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.13 CN(C)c1cnc(cn1)F 27a_100102631434_100009856528 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.13 CN(C)c1cnc(cn1)O 271570a_203496583355_100012356732 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.13 Cc1cnc(cn1)N(C)C 27a_100102631434_100000074397 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [0,1,0,0,0,0|1,1,1]=4 86 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [0,1,0,0,0,0|1,1,1]=4 87 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [0,1,0,0,0,0|1,1,1]=4 97 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [0,1,0,0,0,0|1,1,1]=4 98 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.61 C=C(C)c1ncc[nH]c1=O 271570a_100000694244_100000763361 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.61 OB(O)c1cccnc1O 271570a_203496583355_100009815992 [0,1,0,0,0,0|2,0,1]=4 144 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.113 C=C(C)c1c[n+](ccn1)[O-] 271570a_100000694244_100009880115 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.113 C=C(C)c1cncc(n1)F 271570a_100000694244_200009863489 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.113 C=C(C)c1cncc(n1)N 271570a_100000694244_100009819714 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.113 C=C(C)c1cncc(n1)O 271570a_100000694244_100011269956 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.113 CC(C)c1cncc(n1)O 271570a_203496583355_100012056704 [0,1,0,0,0,0|2,0,1]=4 183 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.113 CN(C)c1cncc(n1)Cl 27a_100102631434_100010892449 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.113 CN(C)c1cncc(n1)F 27a_100102631434_200009863489 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.113 CN(C)c1cncc(n1)O 271570a_203496583355_100000749133 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.113 Cc1cncc(n1)N(C)C 27a_100102631434_100000754123 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,1,0,0,0,0|1,0,0]=2 198 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.113 OB(O)c1cccc(n1)O 271570a_203496583355_100000117343 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.113 OB(O)c1cncc(c1)O 271570a_203496583355_200009814628 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,0,0|3,0,0]=4 206 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,0,0,0,1,0|2,0,1]=4 208 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,0,0,0,1,0|3,0,0]=4 209 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,1,0|3,0,0]=4 210 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,1,0|3,0,0]=4 211 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,0,0,0,1,0|3,0,0]=4 212 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,0,0,0,1,0|3,0,0]=4 213 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,0,0,0,1,0|3,0,0]=4 214 B8R1.7 C=C(C)c1cn[nH]c1 271570a_100000694244_100000238712 [0,0,0,0,1,0|3,0,0]=4 215 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,0,0,0,1,0|3,0,0]=4 216 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,0,0,0,1,0|3,0,0]=4 217 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [0,0,0,0,1,0|3,0,0]=4 218 B8R1.7 C=C(C)c1cnsc1 271570a_100000694244_100009815736 [0,0,0,0,1,0|3,0,0]=4 219 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,0,0,0,1,0|3,0,0]=4 220 B8R1.7 C=C(C)c1nc[nH]n1 271570a_100000694244_100000761765 [0,0,0,0,1,0|3,0,0]=4 221 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,0,0,0,1,0|2,0,1]=4 222 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,1,0|3,0,0]=4 223 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,0,0,0,1,0|3,0,0]=4 224 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [0,0,0,0,1,0|3,0,0]=4 225 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,0,1|3,0,0]=4 226 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,0,0,0,1|3,0,0]=4 227 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [0,0,0,0,0,1|2,0,0]=3 228 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,1|3,0,0]=4 229 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,1|2,0,0]=3 230 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,1|2,0,0]=3 232 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,1|2,0,0]=3 233 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,1|1,0,0]=2 235 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,0,1|3,0,0]=4 237 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,1|3,0,0]=4 238 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,1|3,0,0]=4 240 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.18 CC(C)Nc1cnccn1 27a_100138425928_100000211759 [0,0,0,0,0,1|2,0,1]=4 243 B10R1.18 CC(C)Sc1cnccn1 62a_100000210206_100000211759 [0,0,0,0,0,1|2,0,1]=4 244 B10R1.18 CC(C)Sc1cnccn1 62a_100000211759_100000210206 [0,0,0,0,0,1|2,0,1]=4 245 B10R1.18 CN(C)Cc1cnccn1 2230a_100011269079_200000210301 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.18 CN(C)Cc1cnccn1 2230a_100102631434_100016995436 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.18 CN(C)Cc1cnccn1 269982a_100011269079_200000210301 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.18 CN(C)Cc1cnccn1 269982a_100102631434_100016995436 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.18 CN(C)Cc1cnccn1 270004a_100102631434_100000749867 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.18 CN([13CH3])Cc1cnccn1 2230a_100011269079_200025704644 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.18 CN([13CH3])Cc1cnccn1 269982a_100011269079_200025704644 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,1|2,0,0]=3 253 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,1|2,0,0]=3 254 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,0,1|3,0,0]=4 255 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,1,0,0,0|2,0,0]=4 256 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,1,0,0,0|2,0,0]=4 257 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [2,0,0,0,0,0|2,0,0]=4 258 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [2,0,0,0,0,0|1,0,0]=3 259 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [2,0,0,0,0,0|1,0,0]=3 260 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [2,0,0,0,0,0|2,0,0]=4 261 B7R1.3 Oc1ccncn1 271570a_203496583355_100000703185 [2,0,0,0,0,0|2,0,0]=4 262 B7R1.3 Oc1ccnnc1 271570a_203496583355_100000732662 [2,0,0,0,0,0|2,0,0]=4 263 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [2,0,0,0,0,0|0,0,0]=2 264 B7R1.3 Oc1cncnc1 271570a_203496583355_100011206942 [2,0,0,0,0,0|2,0,0]=4 265 B7R1.3 Oc1ncccn1 271570a_203496583355_100000211032 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.1 C=Cc1cnc(cn1)C 271570a_100011290941_100011999403 [1,1,0,0,0,0|1,0,0]=3 278 B9R1.1 C=Cc1cnc(cn1)F 271570a_100011290941_100009856528 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.1 C=Cc1cnc(cn1)N 271570a_100011290941_100000761932 [1,1,0,0,0,0|1,0,0]=3 280 B9R1.1 C=Cc1cnc(nn1)N 271570a_100011290941_100000691435 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.1 CNc1cnc(cn1)Br 27a_100102657272_100010187541 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.1 CNc1cnc(cn1)C 27a_100102657272_100000074397 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.1 CNc1cnc(cn1)F 27a_100102657272_100009856528 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.1 CNc1cnc(cn1)O 271570a_203496583355_100012000640 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.1 COc1cnc(cn1)Br 34a_100011934580_200000210301 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.1 COc1cnc(cn1)Cl 34a_100015839800_200000210301 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.1 COc1cnc(cn1)O 271570a_203496583355_100011998698 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.1 CSc1cnc(cn1)Br 62a_100010187541_200000210301 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.1 CSc1cnc(cn1)Br 62a_200000210301_100010187541 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.1 CSc1cnc(cn1)C 62a_100011999403_200000210301 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.1 CSc1cnc(cn1)C 62a_200000210301_100011999403 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.1 CSc1cnc(cn1)Cl 62a_100010214907_200000210301 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.1 CSc1cnc(cn1)Cl 62a_200000210301_100010214907 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.1 CSc1cnc(cn1)F 62a_100009856528_200000210301 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.1 CSc1cnc(cn1)F 62a_200000210301_100009856528 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.1 CSc1cnc(cn1)N 62a_100000744751_200000210301 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.1 CSc1cnc(cn1)N 62a_200000210301_100000744751 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.1 CSc1cnc(cn1)O 271570a_203496583355_200012356277 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.1 CSc1cnc(cn1)O 62a_100011934580_200000210301 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.1 CSc1cnc(cn1)O 62a_200000210301_100015839800 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_100011999403_200025704644 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_200025704644_100011999403 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.1 N#Cc1cnc(cn1)O 271570a_203496583355_100000059812 [1,1,0,0,0,0|1,0,1]=4 304 B9R1.1 NNc1cnc(cn1)O 271570a_203496583355_100000121042 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [1,1,0,0,0,0|1,0,0]=3 307 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [1,1,0,0,0,0|1,0,0]=3 308 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [1,1,0,0,0,0|0,0,0]=2 310 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [1,1,0,0,0,0|1,0,1]=4 312 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [1,1,0,0,0,0|1,0,1]=4 313 B9R1.1 OCc1cnc(cn1)O 271570a_203496583355_100012002382 [1,1,0,0,0,0|0,0,1]=3 314 B9R1.1 [13CH3]Oc1cnc(cn1)Br 34a_100011934580_200025704644 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.1 [13CH3]Oc1cnc(cn1)Cl 34a_100015839800_200025704644 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.1 [13CH3]Sc1cnc(cn1)Br 62a_100010187541_200025704644 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.1 [13CH3]Sc1cnc(cn1)Br 62a_200025704644_100010187541 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.1 [13CH3]Sc1cnc(cn1)Cl 62a_100010214907_200025704644 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.1 [13CH3]Sc1cnc(cn1)Cl 62a_200025704644_100010214907 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.1 [13CH3]Sc1cnc(cn1)F 62a_100009856528_200025704644 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.1 [13CH3]Sc1cnc(cn1)F 62a_200025704644_100009856528 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.1 [13CH3]Sc1cnc(cn1)N 62a_100000744751_200025704644 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.1 [13CH3]Sc1cnc(cn1)N 62a_200025704644_100000744751 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.1 [13CH3]Sc1cnc(cn1)O 62a_100011934580_200025704644 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.1 [13CH3]Sc1cnc(cn1)O 62a_200025704644_100015839800 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.2 C=Cc1c[n+](ccn1)[O-] 271570a_100011290941_100009880115 [1,1,0,0,0,0|1,0,1]=4 327 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.2 C=Cc1cc(ccn1)Cl 271570a_100011290941_100010167805 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.2 C=Cc1cc(ccn1)F 271570a_100011290941_100009817058 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.2 C=Cc1cccc(n1)Br 271570a_100011290941_100000684672 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.2 C=Cc1cccc(n1)F 271570a_100011290941_100009815982 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.2 C=Cc1cncc(c1)Br 271570a_100011290941_100000728054 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.2 C=Cc1cncc(c1)Cl 271570a_100011290941_100000049639 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.2 C=Cc1cncc(c1)F 271570a_100011290941_100000744099 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.2 C=Cc1cncc(n1)C 271570a_100011290941_100009842155 [1,1,0,0,0,0|1,0,0]=3 343 B9R1.2 C=Cc1cncc(n1)F 271570a_100011290941_200009863489 [1,1,0,0,0,0|1,0,0]=3 344 B9R1.2 C=Cc1cncc(n1)N 271570a_100011290941_100009819714 [1,1,0,0,0,0|1,0,0]=3 345 B9R1.2 C=Cc1cncc(n1)O 271570a_100011290941_100011269956 [1,1,0,0,0,0|1,0,0]=3 346 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.2 CNc1cncc(n1)Cl 27a_100102657272_100010892449 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.2 CNc1cncc(n1)F 27a_100102657272_200009863489 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.2 CNc1cncc(n1)O 271570a_203496583355_100011529438 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.2 COc1cncc(n1)O 271570a_203496583355_100000756030 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.2 CSc1cncc(n1)C 62a_100000754123_200000210301 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.2 CSc1cncc(n1)C 62a_200000210301_100000754123 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.2 CSc1cncc(n1)Cl 62a_100010892449_200000210301 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.2 CSc1cncc(n1)Cl 62a_200000210301_100010892449 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.2 CSc1cncc(n1)F 62a_200000210301_200009863489 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.2 CSc1cncc(n1)F 62a_200009863489_200000210301 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.2 CSc1cncc(n1)N 62a_100000747728_200000210301 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.2 CSc1cncc(n1)N 62a_200000210301_100000747728 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.2 CSc1cncc(n1)O 62a_200000210301_100011269956 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_100000754123_200025704644 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_200025704644_100000754123 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.2 N#Cc1cncc(n1)O 271570a_203496583355_100009817212 [1,1,0,0,0,0|1,0,1]=4 363 B9R1.2 NNc1cncc(n1)O 271570a_203496583355_100102525095 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,1,0,0,0,0|1,0,0]=3 365 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [1,1,0,0,0,0|1,0,1]=4 369 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [1,1,0,0,0,0|1,0,1]=4 371 B9R1.2 OCc1cncc(n1)O 271570a_203496583355_100009853123 [1,1,0,0,0,0|0,0,1]=3 372 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_100010892449_200025704644 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_200025704644_100010892449 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200009863489_200025704644 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200025704644_200009863489 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_100000747728_200025704644 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_200025704644_100000747728 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.2 [13CH3]Sc1cncc(n1)O 62a_200025704644_100011269956 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.8 C=C=Cc1cnccn1 271570a_100015277604_100000758340 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [1,1,0,0,0,0|1,0,1]=4 386 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [1,1,0,0,0,0|1,0,1]=4 387 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [1,1,0,0,0,0|1,0,1]=4 388 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,1,0,0,0,0|1,0,1]=4 389 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,1,0,0,0,0|1,0,1]=4 390 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,1,0,0,0,0|1,0,1]=4 391 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,1,0,0,0,0|1,0,1]=4 392 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,1,0,0,0,0|1,0,1]=4 393 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,1,0,0,0,0|1,0,1]=4 394 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [1,1,0,0,0,0|0,0,1]=3 395 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [1,1,0,0,0,0|0,1,1]=4 396 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [1,1,0,0,0,0|0,1,1]=4 397 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [1,1,0,0,0,0|1,0,1]=4 398 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [1,1,0,0,0,0|1,0,1]=4 399 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [1,1,0,0,0,0|0,1,1]=4 400 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [1,1,0,0,0,0|0,1,1]=4 401 B9R1.15 C=Cc1cccnc1Br 271570a_100011290941_100010202626 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.15 C=Cc1cccnc1Cl 271570a_100011290941_100000036424 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.15 C=Cc1cccnc1F 271570a_100011290941_100009816115 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.15 C=Cc1cccnc1N 271570a_100011290941_100000045569 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.15 C=Cc1cnccc1Br 271570a_100011290941_100010138639 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.15 C=Cc1cnccc1Cl 271570a_100011290941_100009995489 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.15 C=Cc1cnccc1F 271570a_100011290941_100009820683 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.15 C=Cc1cnccc1N 271570a_100011290941_100000047001 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.15 C=Cc1ncc[nH]c1=O 271570a_100011290941_100000763361 [1,1,0,0,0,0|1,0,1]=4 412 B9R1.15 C=Cc1ncccc1Br 271570a_100011290941_100000696092 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.15 C=Cc1ncccc1Cl 271570a_100011290941_100011356963 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.15 C=Cc1ncccc1F 271570a_100011290941_100000685392 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.15 C=Cc1ncccc1N 271570a_100011290941_100000688686 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [1,1,0,0,0,0|1,0,0]=3 419 B9R1.15 C=Cc1nccnc1F 271570a_100011290941_200010125657 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.15 C=Cc1nccnc1N 271570a_100011290941_100000747729 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.15 CNc1nccnc1F 27a_100102657272_200010125657 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.15 CSc1nccnc1Cl 62a_100010886584_200000210301 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.15 CSc1nccnc1Cl 62a_200000210301_100010886584 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.15 CSc1nccnc1F 62a_200000210301_200010125657 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.15 CSc1nccnc1F 62a_200010125657_200000210301 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.15 CSc1nccnc1N 62a_100000747729_200000210301 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.15 CSc1nccnc1N 62a_200000210301_100000747729 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.15 N#Cc1nccnc1O 271570a_203496583355_100000040484 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [1,1,0,0,0,0|1,0,1]=4 440 B9R1.15 NNc1nccnc1O 271570a_203496583355_100000755098 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [1,1,0,0,0,0|1,0,1]=4 446 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [1,1,0,0,0,0|1,0,1]=4 447 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [1,1,0,0,0,0|1,0,1]=4 448 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [1,1,0,0,0,0|0,0,1]=3 449 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_100010886584_200025704644 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_200025704644_100010886584 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.15 [13CH3]Sc1nccnc1F 62a_200010125657_200025704644 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.15 [13CH3]Sc1nccnc1F 62a_200025704644_200010125657 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.15 [13CH3]Sc1nccnc1N 62a_100000747729_200025704644 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.15 [13CH3]Sc1nccnc1N 62a_200025704644_100000747729 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,0,1,0|2,0,0]=4 456 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,1,0,0,1,0|1,0,1]=4 457 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,0,1,0|2,0,0]=4 458 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,0,1,0|2,0,0]=4 459 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,1,0,0,1,0|2,0,0]=4 460 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,1,0,0,1,0|2,0,0]=4 461 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,1,0,0,1,0|2,0,0]=4 462 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,1,0,0,1,0|2,0,0]=4 463 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,1,0,0,1,0|2,0,0]=4 464 B9R1.35 Cc1noc(n1)C(=O)N 270196a_100000212224_100011215815 [0,1,0,0,1,0|2,0,0]=4 465 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,1,0,0,1,0|1,0,1]=4 466 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,1,0,0,1,0|2,0,0]=4 467 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,1,0,0,1,0|2,0,0]=4 468 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,1,0,0,1,0|2,0,0]=4 469 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,1,0,0,1,0|2,0,0]=4 470 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,1,0,0,1,0|2,0,0]=4 471 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,1,0,0,1,0|2,0,0]=4 472 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,1,0,0,1,0|2,0,0]=4 473 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,0,1,0|2,0,0]=4 474 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,1,0,0,1,0|2,0,0]=4 475 B9R1.41 NC(=O)c1[nH]ncc1O 271570a_203496583355_200009820792 [0,1,0,0,1,0|2,0,0]=4 476 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,1,0,0,1,0|2,0,0]=4 477 B11R1.20 CC(=Cc1cnc(cn1)C)C 271570a_100102525489_100011999403 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.20 CC(=Cc1cnc(cn1)F)C 271570a_100102525489_100009856528 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.20 CC(=Cc1cnc(cn1)N)C 271570a_100102525489_100000761932 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,1,0,0,0,1|1,0,0]=3 495 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.36 CC(=C(C)c1cnccn1)C 271570a_200000049429_100000758340 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,1,0,0,0,1|1,0,0]=3 508 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.40 C#CC(=O)Cc1cnccn1 1458a_100000211873_100016995436 [0,1,0,0,0,1|1,0,0]=3 512 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.40 C=CC(=O)Cc1cnccn1 1458a_100000185746_100016995436 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.40 CC(CO)Sc1cnccn1 62a_100012180447_100000211759 [0,1,0,0,0,1|1,0,1]=4 516 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,0,0,0,1|1,0,0]=3 521 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,1,0,0,0,1|1,0,0]=3 526 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,1,0,0,0,1|1,0,0]=3 527 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,1,0,0,0,1|1,0,0]=3 528 B11R1.40 COC(C)Sc1cnccn1 62a_100000211759_100009879195 [0,1,0,0,0,1|1,0,1]=4 529 B11R1.40 COC(C)Sc1cnccn1 62a_100009879195_100000211759 [0,1,0,0,0,1|1,0,1]=4 530 B11R1.40 C[C@H](CO)Nc1cnccn1 27a_100000737577_100000211759 [0,1,0,0,0,1|1,0,1]=4 531 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100000211759_100016084084 [0,1,0,0,0,1|1,0,1]=4 532 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100016084084_100000211759 [0,1,0,0,0,1|1,0,1]=4 533 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,1|1,0,0]=3 537 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,1|1,0,0]=3 538 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,0,0,0,1|0,0,0]=2 540 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.86 CC(=Cc1nccnc1C)C 271570a_100102525489_100011999405 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.86 CC(=Cc1nccnc1F)C 271570a_100102525489_200010125657 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.86 CC(=Cc1nccnc1N)C 271570a_100102525489_100000747729 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.157 CC(=Cc1cncc(n1)C)C 271570a_100102525489_100009842155 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.157 CC(=Cc1cncc(n1)F)C 271570a_100102525489_200009863489 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.157 CC(=Cc1cncc(n1)N)C 271570a_100102525489_100009819714 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.157 CC(=Cc1cncc(n1)O)C 271570a_100102525489_100011269956 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.157 CC(=O)Nc1cncc(n1)O 271570a_203496583355_100000703374 [0,1,0,0,0,1|1,0,0]=3 591 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.3 C=C(C)c1cnc(cn1)C#N 271570a_100000694244_100000059812 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.3 C=C(C)c1cnc(cn1)C=O 271570a_100000694244_100012001714 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.3 C=C(C)c1cnc(cn1)CO 271570a_100000694244_100012002382 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.3 C=C(C)c1cnc(cn1)NC 271570a_100000694244_100012000640 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.3 C=C(C)c1cnc(cn1)NN 271570a_100000694244_100000121042 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.3 C=C(C)c1cnc(cn1)OC 271570a_100000694244_100011998698 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.3 C=C(C)c1cnc(cn1)SC 271570a_100000694244_200012356277 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.3 C=Cc1ccc(cn1)C(=O)N 271570a_100011290941_100000162237 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.3 C=Cc1ccc(nc1)C(=O)N 271570a_100011290941_100011219284 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.3 C=Cc1cnc(cn1)C(=O)C 271570a_100011290941_100009883172 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.3 C=Cc1cnc(cn1)C(=O)N 271570a_100011290941_100000738300 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_100009883172_200025704644 [0,2,0,0,0,0|1,0,0]=3 617 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100009883172 [0,2,0,0,0,0|1,0,0]=3 618 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.3 CNc1cnc(cn1)C(=O)C 27a_100102657272_100009883172 [0,2,0,0,0,0|1,0,0]=3 621 B11R1.3 CNc1cnc(cn1)C(=O)N 27a_100102657272_100000738300 [0,2,0,0,0,0|1,0,0]=3 622 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_100009883172_200000210301 [0,2,0,0,0,0|1,0,0]=3 633 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_200000210301_100009883172 [0,2,0,0,0,0|1,0,0]=3 634 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_100000738300_200000210301 [0,2,0,0,0,0|1,0,0]=3 635 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_200000210301_100000738300 [0,2,0,0,0,0|1,0,0]=3 636 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_100000738300_200025704644 [0,2,0,0,0,0|1,0,0]=3 641 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_200025704644_100000738300 [0,2,0,0,0,0|1,0,0]=3 642 B11R1.19 CS(=O)(=O)c1cnc(cn1)O 271570a_203496583355_200010191202 [0,2,0,0,0,0|1,0,1]=4 643 B11R1.21 C=C(C)c1cnc(c(n1)Br)N 271570a_100000694244_100010982571 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.21 C=C(C)c1cnc(c(n1)C)C 271570a_100000694244_100009878948 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.21 C=C(C)c1cnc(c(n1)C)N 271570a_100000694244_100009818571 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.21 C=C(C)c1cnc(c(n1)Cl)N 271570a_100000694244_100010733632 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.21 C=C(C)c1cnc(c(n1)N)N 271570a_100000694244_100009816827 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,2,0,0,0,0|1,0,0]=3 656 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,2,0,0,0,0|0,0,0]=2 659 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.22 NNC(=O)c1cnc(cn1)O 271570a_203496583355_200012021860 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.166 C=C(C)c1ncc(nc1C)C 271570a_100000694244_100000065684 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.166 C=C(C)c1ncc(nc1C)N 271570a_100000694244_100009818570 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.16 CN(CCO)c1cnccn1 27a_100000210263_100000211759 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,2,0,0,0,0|1,0,0]=3 677 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,2,0,0,0,0|1,1,0]=4 678 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,2,0,0,0,0|1,1,0]=4 679 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,2,0,0,0,0|1,1,0]=4 680 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,2,0,0,0,0|1,1,0]=4 681 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,2,0,0,0,0|1,1,0]=4 683 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,2,0,0,0,0|1,1,0]=4 684 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,2,0,0,0,0|1,1,0]=4 685 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,2,0,0,0,0|1,1,0]=4 686 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,2,0,0,0,0|1,0,0]=3 692 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,2,0,0,0,0|0,0,0]=2 698 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,2,0,0,0,0|1,0,0]=3 705 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,2,0,0,0,0|1,0,0]=3 706 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,2,0,0,0,0|1,0,0]=3 708 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,2,0,0,0,0|0,0,0]=2 709 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.155 CC(C)(O)c1cncc(n1)O 271570a_203496583355_106818305711 [0,2,0,0,0,0|1,0,1]=4 711 B11R1.53 C=C(C)c1nccnc1C#N 271570a_100000694244_100000040484 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.53 C=C(C)c1nccnc1CN 271570a_100000694244_100000729963 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.53 C=C(C)c1nccnc1CO 271570a_100000694244_100000057004 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.53 C=C(C)c1nccnc1NC 271570a_100000694244_100011529439 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.53 C=C(C)c1nccnc1NN 271570a_100000694244_100000755098 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.53 C=Cc1nccnc1C(=O)C 271570a_100011290941_100000099859 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.53 C=Cc1nccnc1C(=O)N 271570a_100011290941_100000094861 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,2,0,0,0,0|1,0,0]=3 742 B11R1.53 CNc1nccnc1C(=O)N 27a_100102657272_100000094861 [0,2,0,0,0,0|1,0,0]=3 743 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,2,0,0,0,0|2,0,0]=4 746 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,2,0,0,0,0|2,0,0]=4 747 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [0,2,0,0,0,0|1,0,0]=3 749 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.53 CSc1nccnc1C(=O)N 62a_100000094861_200000210301 [0,2,0,0,0,0|1,0,0]=3 766 B11R1.53 CSc1nccnc1C(=O)N 62a_200000210301_100000094861 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [0,2,0,0,0,0|1,0,0]=3 771 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_100000094861_200025704644 [0,2,0,0,0,0|1,0,0]=3 780 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_200025704644_100000094861 [0,2,0,0,0,0|1,0,0]=3 781 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.167 C=C(C)c1nc(cnc1C)C 271570a_100000694244_100000211308 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.167 C=C(C)c1nc(cnc1C)N 271570a_100000694244_100009877824 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.167 C=C(C)c1nc(cnc1N)Br 271570a_100000694244_100010988662 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.167 C=C(C)c1nc(cnc1N)C 271570a_100000694244_100009819049 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.167 NC(=O)c1nc(cnc1N)O 271570a_203496583355_100010179960 [0,2,0,0,0,0|1,0,0]=3 796 B11R1.167 NC(=O)c1nc(cnc1O)O 271570a_203496583355_100010272261 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.266 C=C(C)c1cncc(n1)C#N 271570a_100000694244_100009817212 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.266 C=C(C)c1cncc(n1)CO 271570a_100000694244_100009853123 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.266 C=C(C)c1cncc(n1)NC 271570a_100000694244_100011529438 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.266 C=C(C)c1cncc(n1)NN 271570a_100000694244_100102525095 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.266 C=C(C)c1cncc(n1)OC 271570a_100000694244_100000756030 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.266 C=Cc1cccc(n1)C(=O)N 271570a_100011290941_100011834053 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.266 C=Cc1ccnc(c1)C(=O)C 271570a_100011290941_100000709912 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.266 C=Cc1ccnc(c1)C(=O)N 271570a_100011290941_100000229564 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.266 C=Cc1cncc(c1)C(=O)C 271570a_100011290941_100011216243 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.266 C=Cc1cncc(c1)C(=O)N 271570a_100011290941_100000162242 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.266 C=Cc1cncc(n1)C(=O)N 271570a_100011290941_100000764846 [0,2,0,0,0,0|1,0,0]=3 809 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,2,0,0,0,0|2,0,0]=4 814 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [0,2,0,0,0,0|2,0,0]=4 817 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.266 CNc1cncc(n1)C(=O)N 27a_100102657272_100000764846 [0,2,0,0,0,0|1,0,0]=3 819 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,2,0,0,0,0|2,0,0]=4 822 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.266 CSc1cncc(n1)C(=O)N 62a_100000764846_200000210301 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.266 CSc1cncc(n1)C(=O)N 62a_200000210301_100000764846 [0,2,0,0,0,0|1,0,0]=3 834 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.266 [13CH3]Sc1cncc(n1)C(=O)N 62a_100000764846_200025704644 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.266 [13CH3]Sc1cncc(n1)C(=O)N 62a_200025704644_100000764846 [0,2,0,0,0,0|1,0,0]=3 843 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [0,0,0,1,0,1|2,0,0]=4 844 B11R2.10 Oc1nc2cccnc2s1 271570a_203496583355_100010188088 [0,0,0,1,0,1|1,1,0]=4 845 B11R2.10 Oc1nc2cnccn2n1 271570a_203496583355_100010748104 [0,0,0,1,0,1|1,0,1]=4 846 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [0,1,0,1,0,0|2,0,0]=4 847 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [0,1,0,1,0,0|2,0,0]=4 848 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [0,1,0,1,0,0|2,0,0]=4 849 B11R2.1 Oc1cnn2c1cncc2 271570a_203496583355_100010892148 [0,1,0,1,0,0|1,0,1]=4 850 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,1,0,1,0,0|1,0,1]=4 851 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [0,1,0,1,0,0|1,1,0]=4 852 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [0,1,0,1,0,0|1,1,0]=4 853 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [0,1,0,1,0,0|1,1,0]=4 854 B11R2.1 Oc1csc2c1nccn2 271570a_203496583355_100010174841 [0,1,0,1,0,0|0,1,0]=3 855 B11R2.1 Oc1n[nH]c2c1cccn2 271570a_203496583355_100009888962 [0,1,0,1,0,0|2,0,0]=4 856 B11R2.1 Oc1n[nH]c2c1cncc2 271570a_203496583355_100010724670 [0,1,0,1,0,0|2,0,0]=4 857 B11R2.1 Oc1n[nH]c2c1nccc2 271570a_203496583355_100009817118 [0,1,0,1,0,0|2,0,0]=4 858 B11R2.1 Oc1n[nH]c2c1nccn2 271570a_203496583355_100009819591 [0,1,0,1,0,0|1,0,0]=3 859 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [1,0,0,0,1,0|1,0,1]=4 860 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [1,0,0,0,1,0|2,0,0]=4 861 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,1,0|2,0,0]=4 862 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,1,0|2,0,0]=4 863 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [1,0,0,0,1,0|2,0,0]=4 864 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,0,0,0,1,0|2,0,0]=4 865 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,0,0,0,1,0|2,0,0]=4 866 B7R1.1 C=Cc1cn[nH]c1 271570a_100011290941_100000238712 [1,0,0,0,1,0|2,0,0]=4 867 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,0,0,0,1,0|2,0,0]=4 868 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [1,0,0,0,1,0|2,0,0]=4 869 B7R1.1 C=Cc1cnoc1 271570a_100011290941_100009815712 [1,0,0,0,1,0|2,0,0]=4 870 B7R1.1 C=Cc1cnsc1 271570a_100011290941_100009815736 [1,0,0,0,1,0|2,0,0]=4 871 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [1,0,0,0,1,0|2,0,0]=4 872 B7R1.1 C=Cc1nc[nH]n1 271570a_100011290941_100000761765 [1,0,0,0,1,0|2,0,0]=4 873 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [1,0,0,0,1,0|1,0,1]=4 874 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,0,0,0,1,0|2,0,0]=4 875 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [1,0,0,0,1,0|2,0,0]=4 876 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [1,0,0,0,1,0|2,0,0]=4 877 B11R1.91 C=C(C)CNc1cnccn1 27a_100000765925_100000211759 [0,0,0,0,0,2|2,0,0]=4 878 B11R1.91 C=C(C)CSc1cnccn1 62a_100000211759_100000211660 [0,0,0,0,0,2|2,0,0]=4 879 B11R1.91 C=C(C)CSc1cnccn1 62a_100000748629_100000211759 [0,0,0,0,0,2|2,0,0]=4 880 B11R1.91 C=C(F)CSc1cnccn1 62a_100000042424_100000211759 [0,0,0,0,0,2|2,0,0]=4 881 B11R1.91 C=C(F)CSc1cnccn1 62a_100000211759_100000042424 [0,0,0,0,0,2|2,0,0]=4 882 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,2|2,0,0]=4 883 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,2|2,0,0]=4 884 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,2|2,0,0]=4 885 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,2|2,0,0]=4 886 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,2|2,0,0]=4 887 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,2|2,0,0]=4 888 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,2|2,0,0]=4 889 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,2|2,0,0]=4 890 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,2|2,0,0]=4 891 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,2|2,0,0]=4 892 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,2|2,0,0]=4 893 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,2|2,0,0]=4 894 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,2|2,0,0]=4 895 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,2|2,0,0]=4 896 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,2|2,0,0]=4 897 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,2|2,0,0]=4 898 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,2|2,0,0]=4 899 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,2|1,0,0]=3 900 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,2|1,0,0]=3 901 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,2|1,0,0]=3 902 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,2|2,0,0]=4 903 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,2|2,0,0]=4 904 B11R1.91 CC(=O)NNc1cnccn1 22a_100000736894_100000070787 [0,0,0,0,0,2|1,0,0]=3 905 B11R1.91 CC(O)C=Cc1cnccn1 271570a_200011019289_100000758340 [0,0,0,0,0,2|1,0,1]=4 906 B11R1.91 CC(O)CNc1cnccn1 27a_100000210904_100000211759 [0,0,0,0,0,2|1,0,1]=4 907 B11R1.91 CC(O)CSc1cnccn1 62a_100000211759_100011218427 [0,0,0,0,0,2|1,0,1]=4 908 B11R1.91 CC(O)CSc1cnccn1 62a_100011218427_100000211759 [0,0,0,0,0,2|1,0,1]=4 909 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100000211759_100009817552 [0,0,0,0,0,2|1,0,1]=4 910 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100009817552_100000211759 [0,0,0,0,0,2|1,0,1]=4 911 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,2|2,0,0]=4 912 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,2|2,0,0]=4 913 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,2|2,0,0]=4 914 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,2|2,0,0]=4 915 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,2|2,0,0]=4 916 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,2|2,0,0]=4 917 B11R1.91 NC(=O)CSc1cnccn1 62a_100000211759_100000747473 [0,0,0,0,0,2|1,0,0]=3 918 B11R1.91 NC(=O)CSc1cnccn1 62a_100000747473_100000211759 [0,0,0,0,0,2|1,0,0]=3 919 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,2|1,0,1]=4 920 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,2|1,0,1]=4 921 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,2|1,0,1]=4 922 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,2|1,0,1]=4 923 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,2|1,0,1]=4 924 B11R1.91 O=C([O-])CSc1cnccn1 62a_100000211759_100020667443 [0,0,0,0,0,2|0,0,1]=3 925 B11R1.91 O=C([O-])CSc1cnccn1 62a_100020667443_100000211759 [0,0,0,0,0,2|0,0,1]=3 926 B11R1.91 O=[N+]([O-])CSc1cnccn1 62a_100000211759_100000761209 [0,0,0,0,0,2|1,0,1]=4 927 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,2|2,0,0]=4 928 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,2|2,0,0]=4 929 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,2|2,0,0]=4 930 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,2|2,0,0]=4 931 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,2|2,0,0]=4 932 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,2|2,0,0]=4 933 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,2|2,0,0]=4 934 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,2|2,0,0]=4