0 B10R1.3 C#Cc1ccc(cc1)NC 34a_100011215031_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.3 C#Cc1ccc(cc1)N[13CH3] 34a_100011215031_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.3 C#Cc1ccc(nc1)OC 34a_200009884252_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.3 C#Cc1ccc(nc1)O[13CH3] 34a_200009884252_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.3 C=Cc1ccc(cc1)C#N 271570a_100011290941_100000179745 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [0,0,0,0,0,0|0,0,2]=2 6 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.3 C=Cc1ccc(cc1)NN 271570a_100011290941_100016988836 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.3 C=Cc1ccc(cn1)C#N 271570a_100011290941_100000241038 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.3 C=Cc1ccc(cn1)C=O 271570a_100011290941_100000766901 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.3 C=Cc1ccc(cn1)CN 271570a_100011290941_100009817727 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.3 C=Cc1ccc(cn1)CO 271570a_100011290941_100009816760 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.3 C=Cc1ccc(cn1)NC 271570a_100011290941_100000764248 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.3 C=Cc1ccc(cn1)NN 271570a_100011290941_100000119030 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.3 C=Cc1ccc(cn1)SC 271570a_100011290941_100009820866 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.3 C=Cc1ccc(nc1)C#N 271570a_100011290941_100000760455 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.3 C=Cc1ccc(nc1)C=O 271570a_100011290941_100000754260 [0,0,0,0,0,0|1,0,2]=3 35 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.3 C=Cc1ccc(nc1)CN 271570a_100011290941_100015188789 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.3 C=Cc1ccc(nc1)CO 271570a_100011290941_100000754261 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.3 C=Cc1ccc(nc1)NC 271570a_100011290941_100000741341 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.3 C=Cc1ccc(nc1)NN 271570a_100011290941_100000750576 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.3 C=Cc1ccc(nc1)SC 271570a_100011290941_100011408404 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.3 C=Cc1ccc(nc1)SC 62a_103436540071_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.3 C=Cc1ccc(nc1)SC 62a_200000210301_103436540071 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_103436540071_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_200025704644_103436540071 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.3 C=Cc1ccc(nn1)C=O 271570a_100011290941_100000044651 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.3 C=Cc1ccc(nn1)NC 271570a_100011290941_100000215272 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.3 C=Cc1ccc(nn1)OC 271570a_100011290941_100009819040 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.3 C=Cc1cnc(cn1)C=O 271570a_100011290941_100012001714 [0,0,0,0,0,0|2,0,2]=4 50 B10R1.3 C=Cc1cnc(cn1)CO 271570a_100011290941_100012002382 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.3 C=Cc1cnc(cn1)NC 271570a_100011290941_100012000640 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.3 C=Cc1cnc(cn1)OC 271570a_100011290941_100011998698 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.3 C=Cc1cnc(cn1)SC 271570a_100011290941_200012356277 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.3 C=Cc1cnc(nc1)CN 271570a_100011290941_200016993442 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.3 C=Cc1cnc(nc1)CO 271570a_100011290941_100009867226 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.3 C=Cc1cnc(nc1)NC 271570a_100011290941_100000697329 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.3 C=Cc1cnc(nc1)NC 27a_100102657272_200000143982 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.3 C=Cc1cnc(nc1)OC 271570a_100011290941_100000686852 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.3 C=Cc1cnc(nc1)SC 271570a_100011290941_100000722549 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.3 C=Cc1cnc(nc1)SC 62a_200000143982_200000210301 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.3 C=Cc1cnc(nc1)SC 62a_200000210301_200000143982 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.3 C=Cc1cnc(nc1)S[13CH3] 62a_200000143982_200025704644 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.3 C=Cc1cnc(nc1)S[13CH3] 62a_200025704644_200000143982 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.3 C=Cc1ncc(cn1)C=O 271570a_100011290941_100000070856 [0,0,0,0,0,0|2,0,2]=4 65 B10R1.3 C=Cc1ncc(cn1)CC 271570a_100011290941_100000033099 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.3 C=Cc1ncc(cn1)CO 271570a_100011290941_100009855073 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.3 C=Cc1ncc(cn1)OC 271570a_100011290941_100000069167 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.3 C=Cc1ncc(cn1)SC 271570a_100011290941_100000718988 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.3 C=Cc1ncc(cn1)SC 62a_100010269754_200000210301 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.3 C=Cc1ncc(cn1)SC 62a_200000210301_100010269754 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.3 C=Cc1ncc(cn1)S[13CH3] 62a_100010269754_200025704644 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.3 C=Cc1ncc(cn1)S[13CH3] 62a_200025704644_100010269754 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [0,0,0,0,0,0|2,0,0]=2 75 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [0,0,0,0,0,0|2,0,0]=2 79 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [0,0,0,0,0,0|2,0,0]=2 81 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [0,0,0,0,0,0|2,0,0]=2 82 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [0,0,0,0,0,0|2,0,0]=2 83 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [0,0,0,0,0,0|2,0,0]=2 84 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.3 CCc1ccc(cn1)SC 62a_100009820025_200000210301 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.3 CCc1ccc(cn1)SC 62a_200000210301_100009820025 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_100009820025_200025704644 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_200025704644_100009820025 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.3 CCc1ccc(nc1)SC 62a_100009843584_200000210301 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.3 CCc1ccc(nc1)SC 62a_200000210301_100009843584 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_100009843584_200025704644 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_200025704644_100009843584 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.3 CCc1cnc(nc1)NC 27a_100102657272_100000033099 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.3 CCc1cnc(nc1)SC 62a_100000033099_200000210301 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.3 CCc1cnc(nc1)SC 62a_200000210301_100000033099 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.3 CCc1cnc(nc1)S[13CH3] 62a_100000033099_200025704644 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.3 CCc1cnc(nc1)S[13CH3] 62a_200025704644_100000033099 [0,0,0,0,0,0|4,0,0]=4 98 B10R1.3 CNc1ccc(cc1)C#N 34a_100000185469_200000210301 [0,0,0,0,0,0|2,0,1]=3 99 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [0,0,0,0,0,0|1,0,2]=3 100 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [0,0,0,0,0,0|1,0,2]=3 101 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [0,0,0,0,0,0|3,0,0]=3 103 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.3 CNc1ccc(cc1)SC 34a_100000212337_200000210301 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.3 CNc1ccc(cc1)SC 62a_100000743151_200000210301 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.3 CNc1ccc(cc1)SC 62a_200000210301_100000743151 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_100000743151_200025704644 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_200025704644_100000743151 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.3 CNc1ccc(cn1)C#N 27a_100102657272_100000241038 [0,0,0,0,0,0|3,0,1]=4 110 B10R1.3 CNc1ccc(cn1)SC 27a_100102657272_100009820866 [0,0,0,0,0,0|4,0,0]=4 111 B10R1.3 CNc1ccc(cn1)SC 62a_100000741341_200000210301 [0,0,0,0,0,0|4,0,0]=4 112 B10R1.3 CNc1ccc(cn1)SC 62a_200000210301_100000741341 [0,0,0,0,0,0|4,0,0]=4 113 B10R1.3 CNc1ccc(cn1)S[13CH3] 62a_100000741341_200025704644 [0,0,0,0,0,0|4,0,0]=4 114 B10R1.3 CNc1ccc(cn1)S[13CH3] 62a_200025704644_100000741341 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.3 CNc1ccc(nc1)SC 62a_100000764248_200000210301 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.3 CNc1ccc(nc1)SC 62a_200000210301_100000764248 [0,0,0,0,0,0|4,0,0]=4 117 B10R1.3 CNc1ccc(nc1)S[13CH3] 62a_100000764248_200025704644 [0,0,0,0,0,0|4,0,0]=4 118 B10R1.3 CNc1ccc(nc1)S[13CH3] 62a_200025704644_100000764248 [0,0,0,0,0,0|4,0,0]=4 119 B10R1.3 CNc1cnc(cn1)C=O 27a_100102657272_100012001714 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.3 CNc1ncc(cn1)C=O 27a_100102657272_100000070856 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [0,0,0,0,0,0|2,0,1]=3 122 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [0,0,0,0,0,0|2,0,1]=3 123 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [0,0,0,0,0,0|2,0,1]=3 124 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [0,0,0,0,0,0|1,0,2]=3 125 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [0,0,0,0,0,0|3,0,0]=3 126 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [0,0,0,0,0,0|3,0,0]=3 127 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [0,0,0,0,0,0|3,0,0]=3 128 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [0,0,0,0,0,0|3,0,0]=3 129 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [0,0,0,0,0,0|3,0,0]=3 130 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [0,0,0,0,0,0|3,0,0]=3 131 B10R1.3 COc1ccc(cn1)CN 34a_100000757128_200000210301 [0,0,0,0,0,0|3,0,1]=4 132 B10R1.3 COc1ccc(cn1)O[13CH3] 34a_100011934560_200025704644 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.3 COc1ccc(cn1)SC 62a_100000047065_200000210301 [0,0,0,0,0,0|4,0,0]=4 134 B10R1.3 COc1ccc(cn1)SC 62a_200000210301_100000047065 [0,0,0,0,0,0|4,0,0]=4 135 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_100000047065_200025704644 [0,0,0,0,0,0|4,0,0]=4 136 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_200025704644_100000047065 [0,0,0,0,0,0|4,0,0]=4 137 B10R1.3 COc1ccc(nc1)C#N 34a_100011934750_200000210301 [0,0,0,0,0,0|3,0,1]=4 138 B10R1.3 COc1ccc(nc1)C#N 7a_100011934750_200000210301 [0,0,0,0,0,0|3,0,1]=4 139 B10R1.3 COc1ccc(nc1)CN 34a_100020605196_200000210301 [0,0,0,0,0,0|3,0,1]=4 140 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [0,0,0,0,0,0|2,0,2]=4 141 B10R1.3 COc1ccc(nc1)OC 34a_100011934560_200000210301 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.3 COc1ccc(nc1)OC 34a_100012002028_200000210301 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.3 COc1ccc(nc1)O[13CH3] 34a_100012002028_200025704644 [0,0,0,0,0,0|4,0,0]=4 144 B10R1.3 COc1ccc(nc1)SC 62a_100000755202_200000210301 [0,0,0,0,0,0|4,0,0]=4 145 B10R1.3 COc1ccc(nc1)SC 62a_200000210301_100000744180 [0,0,0,0,0,0|4,0,0]=4 146 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_100000755202_200025704644 [0,0,0,0,0,0|4,0,0]=4 147 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_200025704644_100000744180 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.3 CSc1ccc(cc1)C#N 62a_200000210301_100000184291 [0,0,0,0,0,0|2,0,1]=3 149 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [0,0,0,0,0,0|1,0,0]=1 150 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [0,0,0,0,0,0|1,0,0]=1 151 B10R1.3 CSc1ccc(cc1)CF 62a_100010268989_200000210301 [0,0,0,0,0,0|2,0,1]=3 152 B10R1.3 CSc1ccc(cc1)CF 62a_200000210301_100010268989 [0,0,0,0,0,0|2,0,1]=3 153 B10R1.3 CSc1ccc(cc1)CN 62a_100016989417_200000210301 [0,0,0,0,0,0|2,0,1]=3 154 B10R1.3 CSc1ccc(cc1)CN 62a_200000210301_100016989417 [0,0,0,0,0,0|2,0,1]=3 155 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [0,0,0,0,0,0|1,0,2]=3 156 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [0,0,0,0,0,0|1,0,2]=3 157 B10R1.3 CSc1ccc(cc1)NN 62a_100016988836_200000210301 [0,0,0,0,0,0|3,0,0]=3 158 B10R1.3 CSc1ccc(cc1)NN 62a_200000210301_100016988836 [0,0,0,0,0,0|3,0,0]=3 159 B10R1.3 CSc1ccc(cc1)N[13CH3] 34a_100000212337_200025704644 [0,0,0,0,0,0|3,0,0]=3 160 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [0,0,0,0,0,0|3,0,0]=3 161 B10R1.3 CSc1ccc(cc1)SC 62a_100011263217_200000210301 [0,0,0,0,0,0|3,0,0]=3 162 B10R1.3 CSc1ccc(cc1)SC 62a_200000210301_100011263217 [0,0,0,0,0,0|3,0,0]=3 163 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_100011263217_200025704644 [0,0,0,0,0,0|3,0,0]=3 164 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_200025704644_100011263217 [0,0,0,0,0,0|3,0,0]=3 165 B10R1.3 CSc1ccc(cn1)C#N 62a_200000210301_100000241038 [0,0,0,0,0,0|3,0,1]=4 166 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [0,0,0,0,0,0|2,0,0]=2 167 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [0,0,0,0,0,0|2,0,0]=2 168 B10R1.3 CSc1ccc(cn1)CN 62a_100000735879_200000210301 [0,0,0,0,0,0|3,0,1]=4 169 B10R1.3 CSc1ccc(cn1)CN 62a_200000210301_100000735879 [0,0,0,0,0,0|3,0,1]=4 170 B10R1.3 CSc1ccc(cn1)CO 62a_100009816760_200000210301 [0,0,0,0,0,0|2,0,2]=4 171 B10R1.3 CSc1ccc(cn1)CO 62a_200000210301_100009816760 [0,0,0,0,0,0|2,0,2]=4 172 B10R1.3 CSc1ccc(cn1)NN 62a_100000755011_200000210301 [0,0,0,0,0,0|4,0,0]=4 173 B10R1.3 CSc1ccc(cn1)NN 62a_200000210301_100000119030 [0,0,0,0,0,0|4,0,0]=4 174 B10R1.3 CSc1ccc(cn1)S[13CH3] 62a_100011408404_200025704644 [0,0,0,0,0,0|4,0,0]=4 175 B10R1.3 CSc1ccc(cn1)S[13CH3] 62a_200025704644_100011408404 [0,0,0,0,0,0|4,0,0]=4 176 B10R1.3 CSc1ccc(nc1)C#N 62a_200000210301_100000760455 [0,0,0,0,0,0|3,0,1]=4 177 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [0,0,0,0,0,0|2,0,0]=2 178 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [0,0,0,0,0,0|2,0,0]=2 179 B10R1.3 CSc1ccc(nc1)CN 62a_100015188789_200000210301 [0,0,0,0,0,0|3,0,1]=4 180 B10R1.3 CSc1ccc(nc1)CN 62a_200000210301_100015188789 [0,0,0,0,0,0|3,0,1]=4 181 B10R1.3 CSc1ccc(nc1)CO 62a_100000754261_200000210301 [0,0,0,0,0,0|2,0,2]=4 182 B10R1.3 CSc1ccc(nc1)CO 62a_200000210301_100000754261 [0,0,0,0,0,0|2,0,2]=4 183 B10R1.3 CSc1ccc(nc1)NN 62a_100000750576_200000210301 [0,0,0,0,0,0|4,0,0]=4 184 B10R1.3 CSc1ccc(nc1)NN 62a_200000210301_100000750576 [0,0,0,0,0,0|4,0,0]=4 185 B10R1.3 CSc1ccc(nc1)SC 62a_100009820866_200000210301 [0,0,0,0,0,0|4,0,0]=4 186 B10R1.3 CSc1ccc(nc1)SC 62a_100011408404_200000210301 [0,0,0,0,0,0|4,0,0]=4 187 B10R1.3 CSc1ccc(nc1)SC 62a_200000210301_100009820866 [0,0,0,0,0,0|4,0,0]=4 188 B10R1.3 CSc1ccc(nc1)SC 62a_200000210301_100011408404 [0,0,0,0,0,0|4,0,0]=4 189 B10R1.3 CSc1ccc(nc1)S[13CH3] 62a_100009820866_200025704644 [0,0,0,0,0,0|4,0,0]=4 190 B10R1.3 CSc1ccc(nc1)S[13CH3] 62a_200025704644_100009820866 [0,0,0,0,0,0|4,0,0]=4 191 B10R1.3 CSc1ccc(nn1)C=O 62a_100000044651_200000210301 [0,0,0,0,0,0|3,0,0]=3 192 B10R1.3 CSc1ccc(nn1)C=O 62a_200000210301_100000044651 [0,0,0,0,0,0|3,0,0]=3 193 B10R1.3 CSc1cnc(cn1)C=O 62a_100012001714_200000210301 [0,0,0,0,0,0|3,0,0]=3 194 B10R1.3 CSc1cnc(cn1)C=O 62a_200000210301_100012001714 [0,0,0,0,0,0|3,0,0]=3 195 B10R1.3 CSc1ncc(cn1)C=O 62a_100000070856_200000210301 [0,0,0,0,0,0|3,0,0]=3 196 B10R1.3 CSc1ncc(cn1)C=O 62a_200000210301_100000070856 [0,0,0,0,0,0|3,0,0]=3 197 B10R1.3 [13CH3]Nc1ccc(cc1)C#N 34a_100000185469_200025704644 [0,0,0,0,0,0|2,0,1]=3 198 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [0,0,0,0,0,0|1,0,2]=3 199 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [0,0,0,0,0,0|1,0,2]=3 200 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [0,0,0,0,0,0|2,0,1]=3 201 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [0,0,0,0,0,0|2,0,1]=3 202 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [0,0,0,0,0,0|2,0,1]=3 203 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [0,0,0,0,0,0|1,0,2]=3 204 B10R1.3 [13CH3]Oc1ccc(cn1)CN 34a_100000757128_200025704644 [0,0,0,0,0,0|3,0,1]=4 205 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 34a_100011934750_200025704644 [0,0,0,0,0,0|3,0,1]=4 206 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 7a_100011934750_200025704644 [0,0,0,0,0,0|3,0,1]=4 207 B10R1.3 [13CH3]Oc1ccc(nc1)CN 34a_100020605196_200025704644 [0,0,0,0,0,0|3,0,1]=4 208 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [0,0,0,0,0,0|2,0,2]=4 209 B10R1.3 [13CH3]Sc1ccc(cc1)C#N 62a_200025704644_100000184291 [0,0,0,0,0,0|2,0,1]=3 210 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [0,0,0,0,0,0|1,0,0]=1 211 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [0,0,0,0,0,0|1,0,0]=1 212 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_100010268989_200025704644 [0,0,0,0,0,0|2,0,1]=3 213 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_200025704644_100010268989 [0,0,0,0,0,0|2,0,1]=3 214 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_100016989417_200025704644 [0,0,0,0,0,0|2,0,1]=3 215 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_200025704644_100016989417 [0,0,0,0,0,0|2,0,1]=3 216 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [0,0,0,0,0,0|1,0,2]=3 217 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [0,0,0,0,0,0|1,0,2]=3 218 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_100016988836_200025704644 [0,0,0,0,0,0|3,0,0]=3 219 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_200025704644_100016988836 [0,0,0,0,0,0|3,0,0]=3 220 B10R1.3 [13CH3]Sc1ccc(cn1)C#N 62a_200025704644_100000241038 [0,0,0,0,0,0|3,0,1]=4 221 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [0,0,0,0,0,0|2,0,0]=2 222 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [0,0,0,0,0,0|2,0,0]=2 223 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_100000735879_200025704644 [0,0,0,0,0,0|3,0,1]=4 224 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_200025704644_100000735879 [0,0,0,0,0,0|3,0,1]=4 225 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_100009816760_200025704644 [0,0,0,0,0,0|2,0,2]=4 226 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_200025704644_100009816760 [0,0,0,0,0,0|2,0,2]=4 227 B10R1.3 [13CH3]Sc1ccc(cn1)NN 62a_100000755011_200025704644 [0,0,0,0,0,0|4,0,0]=4 228 B10R1.3 [13CH3]Sc1ccc(cn1)NN 62a_200025704644_100000119030 [0,0,0,0,0,0|4,0,0]=4 229 B10R1.3 [13CH3]Sc1ccc(nc1)C#N 62a_200025704644_100000760455 [0,0,0,0,0,0|3,0,1]=4 230 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [0,0,0,0,0,0|2,0,0]=2 231 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [0,0,0,0,0,0|2,0,0]=2 232 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_100015188789_200025704644 [0,0,0,0,0,0|3,0,1]=4 233 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_200025704644_100015188789 [0,0,0,0,0,0|3,0,1]=4 234 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_100000754261_200025704644 [0,0,0,0,0,0|2,0,2]=4 235 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_200025704644_100000754261 [0,0,0,0,0,0|2,0,2]=4 236 B10R1.3 [13CH3]Sc1ccc(nc1)NN 62a_100000750576_200025704644 [0,0,0,0,0,0|4,0,0]=4 237 B10R1.3 [13CH3]Sc1ccc(nc1)NN 62a_200025704644_100000750576 [0,0,0,0,0,0|4,0,0]=4 238 B10R1.3 [13CH3]Sc1ccc(nn1)C=O 62a_100000044651_200025704644 [0,0,0,0,0,0|3,0,0]=3 239 B10R1.3 [13CH3]Sc1ccc(nn1)C=O 62a_200025704644_100000044651 [0,0,0,0,0,0|3,0,0]=3 240 B10R1.3 [13CH3]Sc1cnc(cn1)C=O 62a_100012001714_200025704644 [0,0,0,0,0,0|3,0,0]=3 241 B10R1.3 [13CH3]Sc1cnc(cn1)C=O 62a_200025704644_100012001714 [0,0,0,0,0,0|3,0,0]=3 242 B10R1.3 [13CH3]Sc1ncc(cn1)C=O 62a_100000070856_200025704644 [0,0,0,0,0,0|3,0,0]=3 243 B10R1.3 [13CH3]Sc1ncc(cn1)C=O 62a_200025704644_100000070856 [0,0,0,0,0,0|3,0,0]=3 244 B9R1.1 C=Cc1cc[n+](cc1)[O-] 271570a_100011290941_100000039755 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [1,0,0,0,0,0|1,0,2]=4 246 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [1,0,0,0,0,0|2,0,0]=3 247 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [1,0,0,0,0,0|1,0,0]=2 248 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [1,0,0,0,0,0|2,0,0]=3 249 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [1,0,0,0,0,0|2,0,0]=3 250 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [1,0,0,0,0,0|2,0,0]=3 251 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [1,0,0,0,0,0|2,0,0]=3 252 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [1,0,0,0,0,0|2,0,0]=3 260 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.1 C=Cc1ccc(nn1)C 271570a_100011290941_100011450037 [1,0,0,0,0,0|3,0,0]=4 264 B9R1.1 C=Cc1cnc(cn1)C 271570a_100011290941_100011999403 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.1 C=Cc1cnc(nc1)C 271570a_100011290941_100000686985 [1,0,0,0,0,0|3,0,0]=4 266 B9R1.1 C=Cc1ncc(cn1)C 271570a_100011290941_100011825175 [1,0,0,0,0,0|3,0,0]=4 267 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [1,0,0,0,0,0|0,0,1]=2 268 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [1,0,0,0,0,0|1,0,1]=3 269 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [1,0,0,0,0,0|1,0,1]=3 270 B9R1.1 CCc1cnc(nc1)O 271570a_203496583355_100000033099 [1,0,0,0,0,0|2,0,1]=4 271 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [1,0,0,0,0,0|2,0,0]=3 272 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [1,0,0,0,0,0|2,0,0]=3 273 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [1,0,0,0,0,0|1,0,1]=3 274 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [1,0,0,0,0,0|2,0,0]=3 275 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [1,0,0,0,0,0|2,0,0]=3 276 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [1,0,0,0,0,0|2,0,0]=3 277 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [1,0,0,0,0,0|2,0,0]=3 278 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [1,0,0,0,0,0|1,0,1]=3 279 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [1,0,0,0,0,0|1,0,1]=3 280 B9R1.1 CNc1ccc(cn1)Br 27a_100102657272_100000686858 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [1,0,0,0,0,0|2,0,1]=4 282 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [1,0,0,0,0,0|2,0,1]=4 283 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [1,0,0,0,0,0|2,0,0]=3 284 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [1,0,0,0,0,0|2,0,0]=3 285 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [1,0,0,0,0,0|2,0,0]=3 286 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [1,0,0,0,0,0|1,0,1]=3 287 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [1,0,0,0,0,0|1,0,1]=3 288 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [1,0,0,0,0,0|2,0,0]=3 290 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [1,0,0,0,0,0|2,0,0]=3 291 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [1,0,0,0,0,0|2,0,0]=3 292 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [1,0,0,0,0,0|2,0,0]=3 293 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [1,0,0,0,0,0|2,0,0]=3 294 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [1,0,0,0,0,0|1,0,1]=3 295 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [1,0,0,0,0,0|2,0,1]=4 296 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [1,0,0,0,0,0|3,0,0]=4 298 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [1,0,0,0,0,0|2,0,1]=4 300 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [1,0,0,0,0,0|3,0,0]=4 301 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [1,0,0,0,0,0|2,0,1]=4 303 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [1,0,0,0,0,0|2,0,1]=4 304 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [1,0,0,0,0,0|3,0,0]=4 305 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [1,0,0,0,0,0|3,0,0]=4 306 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [1,0,0,0,0,0|3,0,0]=4 307 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [1,0,0,0,0,0|3,0,0]=4 308 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [1,0,0,0,0,0|3,0,0]=4 309 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [1,0,0,0,0,0|3,0,0]=4 310 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [1,0,0,0,0,0|3,0,0]=4 311 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [1,0,0,0,0,0|3,0,0]=4 312 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [1,0,0,0,0,0|2,0,1]=4 313 B9R1.1 CSc1cc[n+](cc1)[O-] 62a_200000210301_100000039755 [1,0,0,0,0,0|2,0,1]=4 314 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [1,0,0,0,0,0|2,0,0]=3 315 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [1,0,0,0,0,0|2,0,0]=3 316 B9R1.1 CSc1ccc(=O)[nH]n1 62a_100009820020_200000210301 [1,0,0,0,0,0|3,0,0]=4 317 B9R1.1 CSc1ccc(=O)[nH]n1 62a_200000210301_100009820020 [1,0,0,0,0,0|3,0,0]=4 318 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [1,0,0,0,0,0|2,0,0]=3 319 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [1,0,0,0,0,0|2,0,0]=3 320 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [1,0,0,0,0,0|1,0,1]=3 321 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [1,0,0,0,0,0|1,0,1]=3 322 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [1,0,0,0,0,0|2,0,0]=3 323 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [1,0,0,0,0,0|2,0,0]=3 324 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [1,0,0,0,0,0|2,0,0]=3 325 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [1,0,0,0,0,0|2,0,0]=3 326 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [1,0,0,0,0,0|2,0,0]=3 327 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [1,0,0,0,0,0|2,0,0]=3 328 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [1,0,0,0,0,0|1,0,1]=3 329 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [1,0,0,0,0,0|1,0,1]=3 330 B9R1.1 CSc1ccc(cn1)Br 62a_100000686858_200000210301 [1,0,0,0,0,0|3,0,0]=4 331 B9R1.1 CSc1ccc(cn1)Br 62a_200000210301_100000686858 [1,0,0,0,0,0|3,0,0]=4 332 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [1,0,0,0,0,0|2,0,1]=4 333 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [1,0,0,0,0,0|2,0,1]=4 334 B9R1.1 CSc1ccc(cn1)Cl 62a_100011356976_200000210301 [1,0,0,0,0,0|3,0,0]=4 335 B9R1.1 CSc1ccc(cn1)Cl 62a_200000210301_100011356976 [1,0,0,0,0,0|3,0,0]=4 336 B9R1.1 CSc1ccc(cn1)F 62a_100000744514_200000210301 [1,0,0,0,0,0|3,0,0]=4 337 B9R1.1 CSc1ccc(cn1)F 62a_200000210301_100000744514 [1,0,0,0,0,0|3,0,0]=4 338 B9R1.1 CSc1ccc(cn1)N 62a_100000737798_200000210301 [1,0,0,0,0,0|3,0,0]=4 339 B9R1.1 CSc1ccc(cn1)N 62a_200000210301_100000737798 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [1,0,0,0,0,0|2,0,1]=4 341 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [1,0,0,0,0,0|2,0,1]=4 342 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [1,0,0,0,0,0|2,0,1]=4 343 B9R1.1 CSc1ccc(nc1)Br 62a_100009814638_200000210301 [1,0,0,0,0,0|3,0,0]=4 344 B9R1.1 CSc1ccc(nc1)Br 62a_200000210301_100009814638 [1,0,0,0,0,0|3,0,0]=4 345 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [1,0,0,0,0,0|2,0,1]=4 346 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [1,0,0,0,0,0|2,0,1]=4 347 B9R1.1 CSc1ccc(nc1)Cl 62a_100000034144_200000210301 [1,0,0,0,0,0|3,0,0]=4 348 B9R1.1 CSc1ccc(nc1)Cl 62a_200000210301_100000034144 [1,0,0,0,0,0|3,0,0]=4 349 B9R1.1 CSc1ccc(nc1)F 62a_100000042367_200000210301 [1,0,0,0,0,0|3,0,0]=4 350 B9R1.1 CSc1ccc(nc1)F 62a_200000210301_100000042367 [1,0,0,0,0,0|3,0,0]=4 351 B9R1.1 CSc1ccc(nc1)N 62a_100000187370_200000210301 [1,0,0,0,0,0|3,0,0]=4 352 B9R1.1 CSc1ccc(nc1)N 62a_200000210301_100000187370 [1,0,0,0,0,0|3,0,0]=4 353 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [1,0,0,0,0,0|2,0,1]=4 354 B9R1.1 CSc1cnc(=O)[nH]c1 62a_102495366499_200000210301 [1,0,0,0,0,0|3,0,0]=4 355 B9R1.1 CSc1cnc(=O)[nH]c1 62a_200000210301_102495366499 [1,0,0,0,0,0|3,0,0]=4 356 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [1,0,0,0,0,0|1,0,1]=3 357 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [1,0,0,0,0,0|1,0,1]=3 358 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [1,0,0,0,0,0|1,0,1]=3 359 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [1,0,0,0,0,0|1,0,1]=3 360 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [1,0,0,0,0,0|1,0,1]=3 361 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [1,0,0,0,0,0|2,0,1]=4 362 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [1,0,0,0,0,0|2,0,1]=4 363 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [1,0,0,0,0,0|2,0,1]=4 364 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [1,0,0,0,0,0|2,0,1]=4 365 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [1,0,0,0,0,0|2,0,1]=4 366 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [1,0,0,0,0,0|2,0,1]=4 367 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [1,0,0,0,0,0|2,0,1]=4 368 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [1,0,0,0,0,0|1,0,2]=4 369 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [1,0,0,0,0,0|1,0,1]=3 370 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [1,0,0,0,0,0|2,0,1]=4 371 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [1,0,0,0,0,0|2,0,1]=4 372 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [1,0,0,0,0,0|2,0,1]=4 373 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [1,0,0,0,0,0|1,0,0]=2 374 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [1,0,0,0,0,0|2,0,0]=3 375 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [1,0,0,0,0,0|2,0,0]=3 376 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [1,0,0,0,0,0|3,0,0]=4 377 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [1,0,0,0,0,0|3,0,0]=4 378 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [1,0,0,0,0,0|3,0,0]=4 379 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [1,0,0,0,0,0|1,0,1]=3 380 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [1,0,0,0,0,0|2,0,1]=4 381 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [1,0,0,0,0,0|2,0,1]=4 382 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [1,0,0,0,0,0|1,0,1]=3 383 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [1,0,0,0,0,0|2,0,0]=3 384 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [1,0,0,0,0,0|2,0,0]=3 385 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [1,0,0,0,0,0|2,0,0]=3 386 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [1,0,0,0,0,0|2,0,0]=3 387 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [1,0,0,0,0,0|2,0,0]=3 388 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [1,0,0,0,0,0|2,0,0]=3 389 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [1,0,0,0,0,0|1,0,1]=3 390 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [1,0,0,0,0,0|2,0,0]=3 391 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [1,0,0,0,0,0|2,0,0]=3 392 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [1,0,0,0,0,0|2,0,0]=3 393 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [1,0,0,0,0,0|2,0,0]=3 394 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [1,0,0,0,0,0|2,0,0]=3 395 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [1,0,0,0,0,0|2,0,0]=3 396 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [1,0,0,0,0,0|2,0,0]=3 397 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [1,0,0,0,0,0|2,0,0]=3 398 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [1,0,0,0,0,0|2,0,0]=3 399 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [1,0,0,0,0,0|3,0,0]=4 400 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [1,0,0,0,0,0|3,0,0]=4 401 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [1,0,0,0,0,0|3,0,0]=4 402 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [1,0,0,0,0,0|3,0,0]=4 403 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [1,0,0,0,0,0|3,0,0]=4 404 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [1,0,0,0,0,0|3,0,0]=4 405 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [1,0,0,0,0,0|3,0,0]=4 406 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [1,0,0,0,0,0|3,0,0]=4 407 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [1,0,0,0,0,0|3,0,0]=4 408 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [1,0,0,0,0,0|3,0,0]=4 409 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [1,0,0,0,0,0|3,0,0]=4 410 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [1,0,0,0,0,0|3,0,0]=4 411 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [1,0,0,0,0,0|3,0,0]=4 412 B9R1.1 [13CH3]Sc1cc[n+](cc1)[O-] 62a_200025704644_100000039755 [1,0,0,0,0,0|2,0,1]=4 413 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [1,0,0,0,0,0|2,0,0]=3 414 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [1,0,0,0,0,0|2,0,0]=3 415 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_100009820020_200025704644 [1,0,0,0,0,0|3,0,0]=4 416 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_200025704644_100009820020 [1,0,0,0,0,0|3,0,0]=4 417 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [1,0,0,0,0,0|2,0,0]=3 418 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [1,0,0,0,0,0|2,0,0]=3 419 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [1,0,0,0,0,0|2,0,0]=3 420 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [1,0,0,0,0,0|2,0,0]=3 421 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [1,0,0,0,0,0|2,0,0]=3 422 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [1,0,0,0,0,0|2,0,0]=3 423 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [1,0,0,0,0,0|2,0,0]=3 424 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [1,0,0,0,0,0|2,0,0]=3 425 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [1,0,0,0,0,0|1,0,1]=3 426 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_100000686858_200025704644 [1,0,0,0,0,0|3,0,0]=4 427 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_200025704644_100000686858 [1,0,0,0,0,0|3,0,0]=4 428 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_100011356976_200025704644 [1,0,0,0,0,0|3,0,0]=4 429 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_200025704644_100011356976 [1,0,0,0,0,0|3,0,0]=4 430 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_100000744514_200025704644 [1,0,0,0,0,0|3,0,0]=4 431 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_200025704644_100000744514 [1,0,0,0,0,0|3,0,0]=4 432 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_100000737798_200025704644 [1,0,0,0,0,0|3,0,0]=4 433 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_200025704644_100000737798 [1,0,0,0,0,0|3,0,0]=4 434 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [1,0,0,0,0,0|2,0,1]=4 435 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [1,0,0,0,0,0|2,0,1]=4 436 B9R1.1 [13CH3]Sc1ccc(nc1)Br 62a_100009814638_200025704644 [1,0,0,0,0,0|3,0,0]=4 437 B9R1.1 [13CH3]Sc1ccc(nc1)Br 62a_200025704644_100009814638 [1,0,0,0,0,0|3,0,0]=4 438 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_100000034144_200025704644 [1,0,0,0,0,0|3,0,0]=4 439 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_200025704644_100000034144 [1,0,0,0,0,0|3,0,0]=4 440 B9R1.1 [13CH3]Sc1ccc(nc1)F 62a_100000042367_200025704644 [1,0,0,0,0,0|3,0,0]=4 441 B9R1.1 [13CH3]Sc1ccc(nc1)F 62a_200025704644_100000042367 [1,0,0,0,0,0|3,0,0]=4 442 B9R1.1 [13CH3]Sc1ccc(nc1)N 62a_100000187370_200025704644 [1,0,0,0,0,0|3,0,0]=4 443 B9R1.1 [13CH3]Sc1ccc(nc1)N 62a_200025704644_100000187370 [1,0,0,0,0,0|3,0,0]=4 444 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_102495366499_200025704644 [1,0,0,0,0,0|3,0,0]=4 445 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_200025704644_102495366499 [1,0,0,0,0,0|3,0,0]=4 446 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,1,0,0,0,0|0,0,2]=3 447 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,1,0,0,0,0|0,0,2]=3 448 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [0,1,0,0,0,0|1,0,2]=4 449 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [0,1,0,0,0,0|0,0,1]=2 450 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [0,1,0,0,0,0|1,0,0]=2 451 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [0,1,0,0,0,0|2,0,0]=3 462 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [0,1,0,0,0,0|2,0,0]=3 464 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.3 C=C(C)c1ccc(cn1)C=O 271570a_100000694244_100000766901 [0,1,0,0,0,0|1,0,1]=3 467 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [0,1,0,0,0,0|2,0,0]=3 468 B11R1.3 C=C(C)c1ccc(cn1)CN 271570a_100000694244_100009817727 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.3 C=C(C)c1ccc(cn1)CO 271570a_100000694244_100009816760 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.3 C=C(C)c1ccc(cn1)NC 271570a_100000694244_100000764248 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.3 C=C(C)c1ccc(cn1)SC 271570a_100000694244_100009820866 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.3 C=C(C)c1ccc(nc1)C=O 271570a_100000694244_100000754260 [0,1,0,0,0,0|1,0,1]=3 474 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.3 C=C(C)c1ccc(nc1)CN 271570a_100000694244_100015188789 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.3 C=C(C)c1ccc(nc1)CO 271570a_100000694244_100000754261 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.3 C=C(C)c1ccc(nc1)NC 271570a_100000694244_100000741341 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.3 C=C(C)c1ccc(nc1)SC 271570a_100000694244_100011408404 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.3 C=C(C)c1ccc(nn1)C=O 271570a_100000694244_100000044651 [0,1,0,0,0,0|2,0,1]=4 481 B11R1.3 C=C(C)c1cnc(cn1)C=O 271570a_100000694244_100012001714 [0,1,0,0,0,0|2,0,1]=4 482 B11R1.3 C=C(C)c1ncc(cn1)C=O 271570a_100000694244_100000070856 [0,1,0,0,0,0|2,0,1]=4 483 B11R1.3 C=C(C)c1ncc(cn1)CC 271570a_100000694244_100000033099 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.3 C=Cc1ccc(cc1)B(O)O 271570a_100011290941_100000754493 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [0,1,0,0,0,0|1,0,1]=3 486 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,1,0,0,0,0|0,0,2]=3 487 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,1,0,0,0,0|0,0,2]=3 488 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,1,0,0,0,0|0,0,2]=3 489 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,1,0,0,0,0|0,0,2]=3 490 B11R1.3 C=Cc1ccc(cc1)C(C)C 271570a_100011290941_100000750031 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [0,1,0,0,0,0|1,0,0]=2 492 B11R1.3 C=Cc1ccc(cc1)C(F)F 271570a_100011290941_100010189923 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.3 C=Cc1ccc(cc1)N(C)C 271570a_100011290941_100000210421 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.3 C=Cc1ccc(cc1)[C@@H](C)N 271570a_100011290941_100000720352 [0,1,0,0,0,0|1,0,0]=2 496 B11R1.3 C=Cc1ccc(cc1)[C@H](C)N 271570a_100011290941_100000753911 [0,1,0,0,0,0|1,0,0]=2 497 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,1,0,0,0,0|1,0,2]=4 498 B11R1.3 C=Cc1ccc(cn1)C(=O)N 271570a_100011290941_100000162237 [0,1,0,0,0,0|1,0,2]=4 499 B11R1.3 C=Cc1ccc(cn1)C(C)C 271570a_100011290941_200009815286 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.3 C=Cc1ccc(cn1)C(C)O 271570a_100011290941_200010274204 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.3 C=Cc1ccc(cn1)C(F)F 271570a_100011290941_100000720607 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.3 C=Cc1ccc(cn1)N(C)C 271570a_100011290941_100009992925 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.3 C=Cc1ccc(cn1)[C@H](C)N 271570a_100011290941_100015387476 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [0,1,0,0,0,0|1,0,2]=4 505 B11R1.3 C=Cc1ccc(nc1)C(=O)N 271570a_100011290941_100011219284 [0,1,0,0,0,0|1,0,2]=4 506 B11R1.3 C=Cc1ccc(nc1)C(C)C 271570a_100011290941_100010255768 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.3 C=Cc1ccc(nc1)C(C)N 271570a_100011290941_100000723930 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.3 C=Cc1ccc(nc1)C(C)O 271570a_100011290941_100012353650 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.3 C=Cc1ccc(nc1)C(F)F 271570a_100011290941_100010253924 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.3 C=Cc1ccc(nc1)N(C)C 271570a_100011290941_100011465347 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.3 C=Cc1cnc(nc1)C(C)C 271570a_100011290941_200009814916 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.3 C=Cc1ncc(cn1)C(C)C 271570a_100011290941_100000102307 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,1,0,0,0,0|1,0,1]=3 514 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,1,0,0,0,0|1,0,0]=2 515 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,1,0,0,0,0|1,0,0]=2 516 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,1,0,0,0,0|1,0,0]=2 517 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_100009883172_200025704644 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100009883172 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_100000099681_200025704644 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000099681 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_100010077182_200025704644 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010077182 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_100010255768_200025704644 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010255768 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200009815286_200025704644 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200025704644_200009815286 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_100000723930_200025704644 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_200025704644_100000723930 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,1,0,0,0,0|2,0,0]=3 547 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_100012353650_200025704644 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012353650 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200010274204_200025704644 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200025704644_200010274204 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,1,0,0,0,0|0,0,0]=1 555 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,1,0,0,0,0|0,0,0]=1 556 B11R1.3 CN(C)c1ccc(cc1)C#N 269982a_100000739737_200000210301 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.3 CN(C)c1ccc(cc1)C#N 34a_100000739737_200000210301 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.3 CN(C)c1ccc(cc1)N[13CH3] 34a_100016997997_200025704644 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_100000210421_200025704644 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000210421 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.3 CN(C)c1cnc(cn1)C=O 27a_100102631434_100012001714 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.3 CN(C)c1ncc(cn1)C=O 27a_100102631434_100000070856 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.3 CN([13CH3])c1ccc(cc1)C#N 269982a_100000739737_200025704644 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.3 CN([13CH3])c1ccc(cc1)C#N 34a_100000739737_200025704644 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,1,0,0,0,0|1,0,0]=2 567 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,1,0,0,0,0|1,0,0]=2 568 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [0,1,0,0,0,0|2,0,0]=3 569 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [0,1,0,0,0,0|2,0,0]=3 570 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [0,1,0,0,0,0|2,0,0]=3 571 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [0,1,0,0,0,0|2,0,0]=3 573 B11R1.3 CNc1ccc(cc1)C(F)F 34a_100020620101_200000210301 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.3 CNc1ccc(cc1)C(F)F 7a_100020620101_200000210301 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.3 CNc1ccc(cc1)N(C)C 34a_100016997997_200000210301 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [0,1,0,0,0,0|2,0,0]=3 577 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.3 CNc1ccc(nn1)C(=O)N 27a_100102657272_100000761398 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.3 CNc1cnc(cn1)C(=O)C 27a_100102657272_100009883172 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.3 CNc1cnc(cn1)C(=O)N 27a_100102657272_100000738300 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.3 CNc1ncc(cn1)C(=O)C 27a_100102657272_100000099681 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,1,0,0,0,0|1,0,0]=2 585 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,1,0,0,0,0|1,0,0]=2 586 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,1,0,0,0,0|1,0,0]=2 587 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,1,0,0,0,0|1,0,0]=2 588 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,1,0,0,0,0|1,0,0]=2 589 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,1,0,0,0,0|2,0,0]=3 609 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.3 COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000210301 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,1,0,0,0,0|2,0,0]=3 613 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,1,0,0,0,0|2,0,0]=3 614 B11R1.3 CSc1ccc(cc1)B(O)O 62a_100000754493_200000210301 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.3 CSc1ccc(cc1)B(O)O 62a_200000210301_100000754493 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,1,0,0,0,0|1,0,0]=2 617 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,1,0,0,0,0|1,0,0]=2 618 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,1,0,0,0,0|1,0,0]=2 619 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,1,0,0,0,0|1,0,0]=2 620 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,1,0,0,0,0|1,0,0]=2 621 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,1,0,0,0,0|1,0,0]=2 622 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [0,1,0,0,0,0|2,0,0]=3 624 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [0,1,0,0,0,0|2,0,0]=3 625 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.3 CSc1ccc(cc1)C(F)F 62a_100000687661_200000210301 [0,1,0,0,0,0|2,0,1]=4 627 B11R1.3 CSc1ccc(cc1)C(F)F 62a_200000210301_100000687661 [0,1,0,0,0,0|2,0,1]=4 628 B11R1.3 CSc1ccc(cc1)N(C)C 62a_100000210421_200000210301 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.3 CSc1ccc(cc1)N(C)C 62a_200000210301_100000210421 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_200000210301 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_200000210301_100000720352 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_100000753911_200000210301 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_200000210301_100000753911 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,1,0,0,0,0|2,0,0]=3 636 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,1,0,0,0,0|2,0,0]=3 637 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,1,0,0,0,0|2,0,0]=3 638 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,1,0,0,0,0|2,0,0]=3 639 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200000210301_200009815286 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200009815286_200000210301 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200000210301_200010274204 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200010274204_200000210301 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_100015387476_200000210301 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_200000210301_100015387476 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,1,0,0,0,0|2,0,0]=3 646 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,1,0,0,0,0|2,0,0]=3 649 B11R1.3 CSc1ccc(nc1)C(C)C 62a_100010255768_200000210301 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.3 CSc1ccc(nc1)C(C)C 62a_200000210301_100010255768 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.3 CSc1ccc(nc1)C(C)N 62a_100000723930_200000210301 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.3 CSc1ccc(nc1)C(C)N 62a_200000210301_100000723930 [0,1,0,0,0,0|3,0,0]=4 653 B11R1.3 CSc1ccc(nc1)C(C)O 62a_100012353650_200000210301 [0,1,0,0,0,0|3,0,0]=4 654 B11R1.3 CSc1ccc(nc1)C(C)O 62a_200000210301_100012353650 [0,1,0,0,0,0|3,0,0]=4 655 B11R1.3 CSc1ccc(nn1)C(=O)N 62a_100000761398_200000210301 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.3 CSc1ccc(nn1)C(=O)N 62a_200000210301_100000761398 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_100009883172_200000210301 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_200000210301_100009883172 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_100000738300_200000210301 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_200000210301_100000738300 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_100010077182_200000210301 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_200000210301_100010077182 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.3 CSc1cnc(nc1)C(=O)N 62a_100009996756_200000210301 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.3 CSc1cnc(nc1)C(=O)N 62a_200000210301_100009996756 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_100000099681_200000210301 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_200000210301_100000099681 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_100000720352_200025704644 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000720352 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_100000753911_200025704644 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753911 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_100015387476_200025704644 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_200025704644_100015387476 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,1,0,0,0,0|1,0,1]=3 677 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,1,0,0,0,0|1,0,0]=2 678 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,1,0,0,0,0|1,0,0]=2 679 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 34a_100020620101_200025704644 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 7a_100020620101_200025704644 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,1,0,0,0,0|1,0,0]=2 684 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,1,0,0,0,0|1,0,0]=2 685 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,1,0,0,0,0|2,0,0]=3 686 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.3 [13CH3]Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200025704644 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_100000754493_200025704644 [0,1,0,0,0,0|2,0,1]=4 689 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_200025704644_100000754493 [0,1,0,0,0,0|2,0,1]=4 690 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,1,0,0,0,0|1,0,0]=2 691 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,1,0,0,0,0|1,0,0]=2 692 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_100000687661_200025704644 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_200025704644_100000687661 [0,1,0,0,0,0|2,0,1]=4 694 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,1,0,0,0,0|2,0,0]=3 695 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,1,0,0,0,0|2,0,0]=3 696 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,1,0,0,0,0|2,0,0]=3 697 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,1,0,0,0,0|2,0,0]=3 698 B11R1.3 [13CH3]Sc1ccc(nn1)C(=O)N 62a_100000761398_200025704644 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.3 [13CH3]Sc1ccc(nn1)C(=O)N 62a_200025704644_100000761398 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_100000738300_200025704644 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_200025704644_100000738300 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.3 [13CH3]Sc1cnc(nc1)C(=O)N 62a_100009996756_200025704644 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.3 [13CH3]Sc1cnc(nc1)C(=O)N 62a_200025704644_100009996756 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.83 C#Cc1ccc(cc1)CNC 207a_100102657272_100011361452 [0,1,0,0,0,0|1,0,1]=3 705 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_100015199678_200000210301 [0,1,0,0,0,0|1,0,1]=3 706 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_106832991635_100000140223 [0,1,0,0,0,0|1,0,1]=3 707 B11R1.83 C#Cc1ccc(cc1)CNC 270004a_106832991635_100011361452 [0,1,0,0,0,0|1,0,1]=3 708 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100015199678_200000210301 [0,1,0,0,0,0|1,0,1]=3 709 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100102657272_100000140223 [0,1,0,0,0,0|1,0,1]=3 710 B11R1.83 C#Cc1ccc(cc1)CNC 7a_106832991635_100000140223 [0,1,0,0,0,0|1,0,1]=3 711 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 2230a_100015199678_200025704644 [0,1,0,0,0,0|1,0,1]=3 712 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 34a_100015199678_200025704644 [0,1,0,0,0,0|1,0,1]=3 713 B11R1.83 C#Cc1ccc(cc1)COC 34a_100000054647_200000210301 [0,1,0,0,0,0|1,0,1]=3 714 B11R1.83 C#Cc1ccc(cc1)COC 34a_100138415774_100000140223 [0,1,0,0,0,0|1,0,1]=3 715 B11R1.83 C#Cc1ccc(cc1)COC 7a_100000054647_200000210301 [0,1,0,0,0,0|1,0,1]=3 716 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 34a_100000054647_200025704644 [0,1,0,0,0,0|1,0,1]=3 717 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 7a_100000054647_200025704644 [0,1,0,0,0,0|1,0,1]=3 718 B11R1.83 C#Cc1ccc(cc1)CSC 62a_200000210301_100000140223 [0,1,0,0,0,0|1,0,1]=3 719 B11R1.83 C#Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000140223 [0,1,0,0,0,0|1,0,1]=3 720 B11R1.83 C#Cc1ccc(cc1)NCC 34a_100011215031_100000210202 [0,1,0,0,0,0|1,0,1]=3 721 B11R1.83 C#Cc1ccc(cc1)NCF 34a_100011215031_100015361967 [0,1,0,0,0,0|2,0,1]=4 722 B11R1.83 C#Cc1ccc(nc1)OCC 34a_200009884252_100000210202 [0,1,0,0,0,0|2,0,1]=4 723 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [0,1,0,0,0,0|2,0,0]=3 724 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [0,1,0,0,0,0|2,0,0]=3 725 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [0,1,0,0,0,0|2,0,0]=3 726 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [0,1,0,0,0,0|2,0,0]=3 727 B11R1.83 C=C=Cc1ccc(cc1)C#N 271570a_100015277604_100000179745 [0,1,0,0,0,0|2,0,1]=4 728 B11R1.83 C=C=Cc1ccc(cc1)C=O 271570a_100015277604_100000186029 [0,1,0,0,0,0|0,0,2]=3 729 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [0,1,0,0,0,0|1,0,0]=2 730 B11R1.83 C=C=Cc1ccc(cc1)CF 271570a_100015277604_100010268989 [0,1,0,0,0,0|2,0,0]=3 731 B11R1.83 C=C=Cc1ccc(cc1)CN 271570a_100015277604_100016989417 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.83 C=C=Cc1ccc(cc1)CO 271570a_100015277604_100000690907 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.83 C=C=Cc1ccc(cc1)NC 271570a_100015277604_100000219623 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.83 C=C=Cc1ccc(cc1)NN 271570a_100015277604_100016988836 [0,1,0,0,0,0|3,0,0]=4 735 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [0,1,0,0,0,0|2,0,0]=3 736 B11R1.83 C=C=Cc1ccc(cc1)SC 271570a_100015277604_100011263217 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.83 C=C=Cc1ccc(cn1)C=O 271570a_100015277604_100000766901 [0,1,0,0,0,0|1,0,2]=4 738 B11R1.83 C=C=Cc1ccc(cn1)CC 271570a_100015277604_100009843584 [0,1,0,0,0,0|2,0,0]=3 739 B11R1.83 C=C=Cc1ccc(cn1)CN 271570a_100015277604_100009817727 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.83 C=C=Cc1ccc(cn1)CO 271570a_100015277604_100009816760 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.83 C=C=Cc1ccc(cn1)NC 271570a_100015277604_100000764248 [0,1,0,0,0,0|3,0,0]=4 742 B11R1.83 C=C=Cc1ccc(cn1)OC 271570a_100015277604_100000755202 [0,1,0,0,0,0|3,0,0]=4 743 B11R1.83 C=C=Cc1ccc(cn1)SC 271570a_100015277604_100009820866 [0,1,0,0,0,0|3,0,0]=4 744 B11R1.83 C=C=Cc1ccc(nc1)C=O 271570a_100015277604_100000754260 [0,1,0,0,0,0|1,0,2]=4 745 B11R1.83 C=C=Cc1ccc(nc1)CC 271570a_100015277604_100009820025 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.83 C=C=Cc1ccc(nc1)CN 271570a_100015277604_100015188789 [0,1,0,0,0,0|3,0,0]=4 747 B11R1.83 C=C=Cc1ccc(nc1)CO 271570a_100015277604_100000754261 [0,1,0,0,0,0|3,0,0]=4 748 B11R1.83 C=C=Cc1ccc(nc1)NC 271570a_100015277604_100000741341 [0,1,0,0,0,0|3,0,0]=4 749 B11R1.83 C=C=Cc1ccc(nc1)OC 271570a_100015277604_100000047065 [0,1,0,0,0,0|3,0,0]=4 750 B11R1.83 C=C=Cc1ccc(nc1)SC 271570a_100015277604_100011408404 [0,1,0,0,0,0|3,0,0]=4 751 B11R1.83 C=C=Cc1ncc(cn1)CC 271570a_100015277604_100000033099 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [0,1,0,0,0,0|2,0,0]=3 753 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [0,1,0,0,0,0|2,0,0]=3 755 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [0,1,0,0,0,0|2,0,0]=3 760 B11R1.83 C=Cc1ccc(cc1)/C=C/Br 271570a_100011290941_200016255901 [0,1,0,0,0,0|1,0,2]=4 761 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [0,1,0,0,0,0|1,0,1]=3 762 B11R1.83 C=Cc1ccc(cc1)CC#N 271570a_100011290941_100011217881 [0,1,0,0,0,0|1,0,1]=3 763 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [0,1,0,0,0,0|0,0,2]=3 764 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [0,1,0,0,0,0|1,0,0]=2 765 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [0,1,0,0,0,0|1,0,0]=2 766 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [0,1,0,0,0,0|1,0,0]=2 767 B11R1.83 C=Cc1ccc(cc1)CNC 2230a_106832991635_100000034074 [0,1,0,0,0,0|1,0,0]=2 768 B11R1.83 C=Cc1ccc(cc1)CNC 26a_100102657272_100000189437 [0,1,0,0,0,0|1,0,0]=2 769 B11R1.83 C=Cc1ccc(cc1)CNC 270004a_106832991635_100011361436 [0,1,0,0,0,0|1,0,0]=2 770 B11R1.83 C=Cc1ccc(cc1)CNC 271570a_100011290941_100000180866 [0,1,0,0,0,0|1,0,0]=2 771 B11R1.83 C=Cc1ccc(cc1)CNC 34a_100102657272_100000034074 [0,1,0,0,0,0|1,0,0]=2 772 B11R1.83 C=Cc1ccc(cc1)CNC 34a_200011934891_200000210301 [0,1,0,0,0,0|1,0,0]=2 773 B11R1.83 C=Cc1ccc(cc1)CNC 7a_106832991635_100000034074 [0,1,0,0,0,0|1,0,0]=2 774 B11R1.83 C=Cc1ccc(cc1)CNN 271570a_100011290941_100016993955 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.83 C=Cc1ccc(cc1)CN[13CH3] 34a_200011934891_200025704644 [0,1,0,0,0,0|1,0,0]=2 776 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [0,1,0,0,0,0|1,0,0]=2 777 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [0,1,0,0,0,0|1,0,0]=2 778 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [0,1,0,0,0,0|1,0,0]=2 779 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [0,1,0,0,0,0|1,0,0]=2 780 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [0,1,0,0,0,0|1,0,0]=2 781 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [0,1,0,0,0,0|1,0,0]=2 782 B11R1.83 C=Cc1ccc(cc1)CSC 62a_100000034074_200000210301 [0,1,0,0,0,0|1,0,0]=2 783 B11R1.83 C=Cc1ccc(cc1)CSC 62a_200000210301_100000034074 [0,1,0,0,0,0|1,0,0]=2 784 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_100000034074_200025704644 [0,1,0,0,0,0|1,0,0]=2 785 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000034074 [0,1,0,0,0,0|1,0,0]=2 786 B11R1.83 C=Cc1ccc(cc1)N=[N+]=[N-] 271570a_100011290941_100000735661 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.83 C=Cc1ccc(cc1)NC#N 271570a_100011290941_100011685341 [0,1,0,0,0,0|2,0,1]=4 788 B11R1.83 C=Cc1ccc(cc1)NCC 271570a_100011290941_100000219632 [0,1,0,0,0,0|1,0,0]=2 789 B11R1.83 C=Cc1ccc(cc1)NCC 34a_100011218248_100000210202 [0,1,0,0,0,0|1,0,0]=2 790 B11R1.83 C=Cc1ccc(cc1)NCF 34a_100011218248_100015361967 [0,1,0,0,0,0|2,0,0]=3 791 B11R1.83 C=Cc1ccc(cc1)OCC 271570a_100011290941_100000169946 [0,1,0,0,0,0|1,0,0]=2 792 B11R1.83 C=Cc1ccc(cc1)OCC 34a_100000189437_100000210202 [0,1,0,0,0,0|1,0,0]=2 793 B11R1.83 C=Cc1ccc(cc1)OCC 7a_100000189437_100000210202 [0,1,0,0,0,0|1,0,0]=2 794 B11R1.83 C=Cc1ccc(cc1)OCF 34a_100000189437_100015361967 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.83 C=Cc1ccc(cc1)OCF 7a_100000189437_100015361967 [0,1,0,0,0,0|2,0,0]=3 796 B11R1.83 C=Cc1ccc(cc1)SCC 271570a_100011290941_200009811893 [0,1,0,0,0,0|1,0,0]=2 797 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000210202_100000748128 [0,1,0,0,0,0|1,0,0]=2 798 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000748128_100000210202 [0,1,0,0,0,0|1,0,0]=2 799 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100000748128_100015361967 [0,1,0,0,0,0|2,0,0]=3 800 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100015361967_100000748128 [0,1,0,0,0,0|2,0,0]=3 801 B11R1.83 C=Cc1ccc(cn1)CC#N 271570a_100011290941_100000703598 [0,1,0,0,0,0|2,0,1]=4 802 B11R1.83 C=Cc1ccc(cn1)CCO 271570a_100011290941_100009880866 [0,1,0,0,0,0|2,0,0]=3 803 B11R1.83 C=Cc1ccc(cn1)CNC 271570a_100011290941_100000026953 [0,1,0,0,0,0|2,0,0]=3 804 B11R1.83 C=Cc1ccc(cn1)CNN 271570a_100011290941_106726394036 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.83 C=Cc1ccc(cn1)CSC 271570a_100011290941_100000753673 [0,1,0,0,0,0|2,0,0]=3 806 B11R1.83 C=Cc1ccc(cn1)OCC 271570a_100011290941_100000753957 [0,1,0,0,0,0|2,0,0]=3 807 B11R1.83 C=Cc1ccc(nc1)CC#N 271570a_100011290941_100011824422 [0,1,0,0,0,0|2,0,1]=4 808 B11R1.83 C=Cc1ccc(nc1)CCO 271570a_100011290941_100012357577 [0,1,0,0,0,0|2,0,0]=3 809 B11R1.83 C=Cc1ccc(nc1)NCC 271570a_100011290941_100000741496 [0,1,0,0,0,0|2,0,0]=3 810 B11R1.83 C=Cc1ccc(nc1)OCC 271570a_100011290941_100011219444 [0,1,0,0,0,0|2,0,0]=3 811 B11R1.83 C=Cc1ccc(nc1)SCC 271570a_100011290941_100000690189 [0,1,0,0,0,0|2,0,0]=3 812 B11R1.83 C=Cc1ccc(nc1)SCC 62a_100000210202_103436540071 [0,1,0,0,0,0|2,0,0]=3 813 B11R1.83 C=Cc1ccc(nc1)SCC 62a_103436540071_100000210202 [0,1,0,0,0,0|2,0,0]=3 814 B11R1.83 C=Cc1ccc(nc1)SCF 62a_100015361967_103436540071 [0,1,0,0,0,0|3,0,0]=4 815 B11R1.83 C=Cc1ccc(nc1)SCF 62a_103436540071_100015361967 [0,1,0,0,0,0|3,0,0]=4 816 B11R1.83 C=Cc1ccc(nn1)NCC 271570a_100011290941_100000215268 [0,1,0,0,0,0|3,0,0]=4 817 B11R1.83 C=Cc1ccc(nn1)OCC 271570a_100011290941_100000757289 [0,1,0,0,0,0|3,0,0]=4 818 B11R1.83 C=Cc1cnc(cn1)OCC 271570a_100011290941_200012356188 [0,1,0,0,0,0|3,0,0]=4 819 B11R1.83 C=Cc1cnc(nc1)NCC 27a_100015525214_200000143982 [0,1,0,0,0,0|3,0,0]=4 820 B11R1.83 C=Cc1cnc(nc1)OCC 271570a_100011290941_100011934766 [0,1,0,0,0,0|3,0,0]=4 821 B11R1.83 C=Cc1cnc(nc1)SCC 271570a_100011290941_200011939514 [0,1,0,0,0,0|3,0,0]=4 822 B11R1.83 C=Cc1cnc(nc1)SCC 62a_100000210202_200000143982 [0,1,0,0,0,0|3,0,0]=4 823 B11R1.83 C=Cc1cnc(nc1)SCC 62a_200000143982_100000210202 [0,1,0,0,0,0|3,0,0]=4 824 B11R1.83 C=Cc1ncc(cn1)CCC 271570a_100011290941_100000039067 [0,1,0,0,0,0|3,0,0]=4 825 B11R1.83 C=Cc1ncc(cn1)OCC 271570a_100011290941_100000099823 [0,1,0,0,0,0|3,0,0]=4 826 B11R1.83 C=Cc1ncc(cn1)SCC 62a_100000210202_100010269754 [0,1,0,0,0,0|3,0,0]=4 827 B11R1.83 C=Cc1ncc(cn1)SCC 62a_100010269754_100000210202 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.83 CC=Cc1ccc(cc1)C#N 271570a_100016259895_100000179745 [0,1,0,0,0,0|1,0,2]=4 829 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [0,1,0,0,0,0|0,0,1]=2 830 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [0,1,0,0,0,0|1,0,0]=2 831 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [0,1,0,0,0,0|2,0,0]=3 832 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [0,1,0,0,0,0|2,0,0]=3 833 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [0,1,0,0,0,0|2,0,0]=3 834 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [0,1,0,0,0,0|2,0,0]=3 835 B11R1.83 CC=Cc1ccc(cc1)NN 271570a_100016259895_100016988836 [0,1,0,0,0,0|2,0,1]=4 836 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [0,1,0,0,0,0|2,0,0]=3 837 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [0,1,0,0,0,0|2,0,0]=3 838 B11R1.83 CC=Cc1ccc(cn1)C=O 271570a_100016259895_100000766901 [0,1,0,0,0,0|1,0,1]=3 839 B11R1.83 CC=Cc1ccc(cn1)CC 271570a_100016259895_100009843584 [0,1,0,0,0,0|2,0,0]=3 840 B11R1.83 CC=Cc1ccc(cn1)CN 271570a_100016259895_100009817727 [0,1,0,0,0,0|3,0,0]=4 841 B11R1.83 CC=Cc1ccc(cn1)CO 271570a_100016259895_100009816760 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.83 CC=Cc1ccc(cn1)NC 271570a_100016259895_100000764248 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.83 CC=Cc1ccc(cn1)SC 271570a_100016259895_100009820866 [0,1,0,0,0,0|3,0,0]=4 845 B11R1.83 CC=Cc1ccc(nc1)C=O 271570a_100016259895_100000754260 [0,1,0,0,0,0|1,0,1]=3 846 B11R1.83 CC=Cc1ccc(nc1)CC 271570a_100016259895_100009820025 [0,1,0,0,0,0|2,0,0]=3 847 B11R1.83 CC=Cc1ccc(nc1)CN 271570a_100016259895_100015188789 [0,1,0,0,0,0|3,0,0]=4 848 B11R1.83 CC=Cc1ccc(nc1)CO 271570a_100016259895_100000754261 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.83 CC=Cc1ccc(nc1)NC 271570a_100016259895_100000741341 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.83 CC=Cc1ccc(nc1)SC 271570a_100016259895_100011408404 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.83 CC=Cc1ccc(nn1)C=O 271570a_100016259895_100000044651 [0,1,0,0,0,0|2,0,1]=4 853 B11R1.83 CC=Cc1cnc(cn1)C=O 271570a_100016259895_100012001714 [0,1,0,0,0,0|2,0,1]=4 854 B11R1.83 CC=Cc1ncc(cn1)C=O 271570a_100016259895_100000070856 [0,1,0,0,0,0|2,0,1]=4 855 B11R1.83 CC=Cc1ncc(cn1)CC 271570a_100016259895_100000033099 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.83 CCCc1ccc(cc1)NC 2230a_100000211780_200000210301 [0,1,0,0,0,0|2,0,0]=3 857 B11R1.83 CCCc1ccc(cc1)NC 34a_100000211780_200000210301 [0,1,0,0,0,0|2,0,0]=3 858 B11R1.83 CCCc1ccc(cc1)N[13CH3] 2230a_100000211780_200025704644 [0,1,0,0,0,0|2,0,0]=3 859 B11R1.83 CCCc1ccc(cc1)N[13CH3] 34a_100000211780_200025704644 [0,1,0,0,0,0|2,0,0]=3 860 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [0,1,0,0,0,0|2,0,0]=3 861 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [0,1,0,0,0,0|2,0,0]=3 863 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [0,1,0,0,0,0|2,0,0]=3 864 B11R1.83 CCCc1ccc(cc1)SC 62a_100000750032_200000210301 [0,1,0,0,0,0|2,0,0]=3 865 B11R1.83 CCCc1ccc(cc1)SC 62a_200000210301_100000750032 [0,1,0,0,0,0|2,0,0]=3 866 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_100000750032_200025704644 [0,1,0,0,0,0|2,0,0]=3 867 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000750032 [0,1,0,0,0,0|2,0,0]=3 868 B11R1.83 CCNc1ccc(cc1)C#N 34a_100000185469_100000210202 [0,1,0,0,0,0|1,0,1]=3 869 B11R1.83 CCNc1ccc(cc1)CC 2230a_100000211069_100000210202 [0,1,0,0,0,0|1,0,1]=3 870 B11R1.83 CCNc1ccc(cc1)CC 34a_100000211069_100000210202 [0,1,0,0,0,0|1,0,1]=3 871 B11R1.83 CCNc1ccc(cc1)CO 2230a_100011215238_100000210202 [0,1,0,0,0,0|0,0,2]=3 872 B11R1.83 CCNc1ccc(cc1)CO 34a_100011215238_100000210202 [0,1,0,0,0,0|0,0,2]=3 873 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [0,1,0,0,0,0|2,0,0]=3 874 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [0,1,0,0,0,0|2,0,0]=3 875 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [0,1,0,0,0,0|2,0,0]=3 876 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [0,1,0,0,0,0|2,0,0]=3 877 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [0,1,0,0,0,0|2,0,0]=3 878 B11R1.83 CCNc1ccc(cc1)SC 34a_100000212337_100000210202 [0,1,0,0,0,0|2,0,0]=3 879 B11R1.83 CCNc1ccc(cc1)SC 62a_200000210301_100000219632 [0,1,0,0,0,0|2,0,0]=3 880 B11R1.83 CCNc1ccc(cc1)S[13CH3] 62a_200025704644_100000219632 [0,1,0,0,0,0|2,0,0]=3 881 B11R1.83 CCNc1ccc(cn1)C#N 27a_100015525214_100000241038 [0,1,0,0,0,0|2,0,1]=4 882 B11R1.83 CCNc1ccc(cn1)SC 27a_100015525214_100009820866 [0,1,0,0,0,0|3,0,0]=4 883 B11R1.83 CCNc1ccc(cn1)SC 62a_100000741496_200000210301 [0,1,0,0,0,0|3,0,0]=4 884 B11R1.83 CCNc1ccc(cn1)SC 62a_200000210301_100000741496 [0,1,0,0,0,0|3,0,0]=4 885 B11R1.83 CCNc1ccc(cn1)S[13CH3] 62a_100000741496_200025704644 [0,1,0,0,0,0|3,0,0]=4 886 B11R1.83 CCNc1ccc(cn1)S[13CH3] 62a_200025704644_100000741496 [0,1,0,0,0,0|3,0,0]=4 887 B11R1.83 CCNc1cnc(cn1)C=O 27a_100015525214_100012001714 [0,1,0,0,0,0|2,0,0]=3 888 B11R1.83 CCNc1ncc(cn1)C=O 27a_100015525214_100000070856 [0,1,0,0,0,0|2,0,0]=3 889 B11R1.83 CCOc1ccc(cc1)C#N 34a_100000210344_100000210202 [0,1,0,0,0,0|1,0,1]=3 890 B11R1.83 CCOc1ccc(cc1)C#N 7a_100000210344_100000210202 [0,1,0,0,0,0|1,0,1]=3 891 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [0,1,0,0,0,0|1,0,1]=3 892 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [0,1,0,0,0,0|1,0,1]=3 893 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [0,1,0,0,0,0|1,0,1]=3 894 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [0,1,0,0,0,0|0,0,2]=3 895 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [0,1,0,0,0,0|2,0,0]=3 896 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [0,1,0,0,0,0|2,0,0]=3 897 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [0,1,0,0,0,0|2,0,0]=3 898 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [0,1,0,0,0,0|2,0,0]=3 899 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [0,1,0,0,0,0|2,0,0]=3 900 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [0,1,0,0,0,0|2,0,0]=3 901 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [0,1,0,0,0,0|2,0,0]=3 902 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [0,1,0,0,0,0|2,0,0]=3 903 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [0,1,0,0,0,0|2,0,0]=3 904 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [0,1,0,0,0,0|2,0,0]=3 905 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [0,1,0,0,0,0|2,0,0]=3 906 B11R1.83 CCOc1ccc(cn1)CN 34a_100000757128_100000210202 [0,1,0,0,0,0|2,0,1]=4 907 B11R1.83 CCOc1ccc(cn1)OC 34a_100012002028_100000210202 [0,1,0,0,0,0|3,0,0]=4 908 B11R1.83 CCOc1ccc(cn1)SC 62a_100011219444_200000210301 [0,1,0,0,0,0|3,0,0]=4 909 B11R1.83 CCOc1ccc(cn1)SC 62a_200000210301_100011219444 [0,1,0,0,0,0|3,0,0]=4 910 B11R1.83 CCOc1ccc(cn1)S[13CH3] 62a_100011219444_200025704644 [0,1,0,0,0,0|3,0,0]=4 911 B11R1.83 CCOc1ccc(cn1)S[13CH3] 62a_200025704644_100011219444 [0,1,0,0,0,0|3,0,0]=4 912 B11R1.83 CCOc1ccc(nc1)C#N 34a_100011934750_100000210202 [0,1,0,0,0,0|2,0,1]=4 913 B11R1.83 CCOc1ccc(nc1)C#N 7a_100011934750_100000210202 [0,1,0,0,0,0|2,0,1]=4 914 B11R1.83 CCOc1ccc(nc1)CN 34a_100020605196_100000210202 [0,1,0,0,0,0|2,0,1]=4 915 B11R1.83 CCOc1ccc(nc1)CO 34a_103436540053_100000210202 [0,1,0,0,0,0|1,0,2]=4 916 B11R1.83 CCOc1ccc(nc1)OC 34a_100011934560_100000210202 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.83 CCOc1ccc(nc1)SC 62a_100012355646_200000210301 [0,1,0,0,0,0|3,0,0]=4 918 B11R1.83 CCOc1ccc(nc1)SC 62a_200000210301_100000753957 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.83 CCOc1ccc(nc1)S[13CH3] 62a_100012355646_200025704644 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.83 CCOc1ccc(nc1)S[13CH3] 62a_200025704644_100000753957 [0,1,0,0,0,0|3,0,0]=4 921 B11R1.83 CCSc1ccc(cc1)C#N 62a_100000210202_100000184291 [0,1,0,0,0,0|1,0,1]=3 922 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000188517_100000210202 [0,1,0,0,0,0|0,0,0]=1 923 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000210202_100000188517 [0,1,0,0,0,0|0,0,0]=1 924 B11R1.83 CCSc1ccc(cc1)CC 62a_100000210202_100011215824 [0,1,0,0,0,0|1,0,1]=3 925 B11R1.83 CCSc1ccc(cc1)CC 62a_100011215824_100000210202 [0,1,0,0,0,0|1,0,1]=3 926 B11R1.83 CCSc1ccc(cc1)CF 62a_100000210202_100010268989 [0,1,0,0,0,0|1,0,1]=3 927 B11R1.83 CCSc1ccc(cc1)CF 62a_100010268989_100000210202 [0,1,0,0,0,0|1,0,1]=3 928 B11R1.83 CCSc1ccc(cc1)CN 62a_100000210202_100016989417 [0,1,0,0,0,0|1,0,1]=3 929 B11R1.83 CCSc1ccc(cc1)CN 62a_100016989417_100000210202 [0,1,0,0,0,0|1,0,1]=3 930 B11R1.83 CCSc1ccc(cc1)CO 62a_100000210202_100000690907 [0,1,0,0,0,0|0,0,2]=3 931 B11R1.83 CCSc1ccc(cc1)CO 62a_100000690907_100000210202 [0,1,0,0,0,0|0,0,2]=3 932 B11R1.83 CCSc1ccc(cc1)NC 34a_100015187087_200000210301 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.83 CCSc1ccc(cc1)NC 62a_100000210202_100000743151 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.83 CCSc1ccc(cc1)NC 62a_100000743151_100000210202 [0,1,0,0,0,0|2,0,0]=3 935 B11R1.83 CCSc1ccc(cc1)NN 62a_100000210202_100016988836 [0,1,0,0,0,0|2,0,0]=3 936 B11R1.83 CCSc1ccc(cc1)NN 62a_100016988836_100000210202 [0,1,0,0,0,0|2,0,0]=3 937 B11R1.83 CCSc1ccc(cc1)N[13CH3] 34a_100015187087_200025704644 [0,1,0,0,0,0|2,0,0]=3 938 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [0,1,0,0,0,0|2,0,0]=3 939 B11R1.83 CCSc1ccc(cc1)SC 62a_100000210202_100011263217 [0,1,0,0,0,0|2,0,0]=3 940 B11R1.83 CCSc1ccc(cc1)SC 62a_100011263217_100000210202 [0,1,0,0,0,0|2,0,0]=3 941 B11R1.83 CCSc1ccc(cc1)SC 62a_200000210301_200009811893 [0,1,0,0,0,0|2,0,0]=3 942 B11R1.83 CCSc1ccc(cc1)SC 62a_200009811893_200000210301 [0,1,0,0,0,0|2,0,0]=3 943 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200009811893_200025704644 [0,1,0,0,0,0|2,0,0]=3 944 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811893 [0,1,0,0,0,0|2,0,0]=3 945 B11R1.83 CCSc1ccc(cn1)C#N 62a_100000210202_100000241038 [0,1,0,0,0,0|2,0,1]=4 946 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000210202_100000766901 [0,1,0,0,0,0|1,0,0]=2 947 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000766901_100000210202 [0,1,0,0,0,0|1,0,0]=2 948 B11R1.83 CCSc1ccc(cn1)CC 62a_100000210202_100009843584 [0,1,0,0,0,0|2,0,1]=4 949 B11R1.83 CCSc1ccc(cn1)CC 62a_100009843584_100000210202 [0,1,0,0,0,0|2,0,1]=4 950 B11R1.83 CCSc1ccc(cn1)CN 62a_100000210202_100000735879 [0,1,0,0,0,0|2,0,1]=4 951 B11R1.83 CCSc1ccc(cn1)CN 62a_100000735879_100000210202 [0,1,0,0,0,0|2,0,1]=4 952 B11R1.83 CCSc1ccc(cn1)CO 62a_100000210202_100009816760 [0,1,0,0,0,0|1,0,2]=4 953 B11R1.83 CCSc1ccc(cn1)CO 62a_100009816760_100000210202 [0,1,0,0,0,0|1,0,2]=4 954 B11R1.83 CCSc1ccc(cn1)NC 62a_100000210202_100000764248 [0,1,0,0,0,0|3,0,0]=4 955 B11R1.83 CCSc1ccc(cn1)NC 62a_100000764248_100000210202 [0,1,0,0,0,0|3,0,0]=4 956 B11R1.83 CCSc1ccc(cn1)NN 62a_100000210202_100000119030 [0,1,0,0,0,0|3,0,0]=4 957 B11R1.83 CCSc1ccc(cn1)NN 62a_100000755011_100000210202 [0,1,0,0,0,0|3,0,0]=4 958 B11R1.83 CCSc1ccc(cn1)OC 62a_100000210202_100000744180 [0,1,0,0,0,0|3,0,0]=4 959 B11R1.83 CCSc1ccc(cn1)OC 62a_100000755202_100000210202 [0,1,0,0,0,0|3,0,0]=4 960 B11R1.83 CCSc1ccc(cn1)SC 62a_100000210202_100009820866 [0,1,0,0,0,0|3,0,0]=4 961 B11R1.83 CCSc1ccc(cn1)SC 62a_100000690189_200000210301 [0,1,0,0,0,0|3,0,0]=4 962 B11R1.83 CCSc1ccc(cn1)SC 62a_100009820866_100000210202 [0,1,0,0,0,0|3,0,0]=4 963 B11R1.83 CCSc1ccc(cn1)SC 62a_200000210301_100000690189 [0,1,0,0,0,0|3,0,0]=4 964 B11R1.83 CCSc1ccc(cn1)S[13CH3] 62a_100000690189_200025704644 [0,1,0,0,0,0|3,0,0]=4 965 B11R1.83 CCSc1ccc(cn1)S[13CH3] 62a_200025704644_100000690189 [0,1,0,0,0,0|3,0,0]=4 966 B11R1.83 CCSc1ccc(nc1)C#N 62a_100000210202_100000760455 [0,1,0,0,0,0|2,0,1]=4 967 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000210202_100000754260 [0,1,0,0,0,0|1,0,0]=2 968 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000754260_100000210202 [0,1,0,0,0,0|1,0,0]=2 969 B11R1.83 CCSc1ccc(nc1)CC 62a_100000210202_100009820025 [0,1,0,0,0,0|2,0,1]=4 970 B11R1.83 CCSc1ccc(nc1)CC 62a_100009820025_100000210202 [0,1,0,0,0,0|2,0,1]=4 971 B11R1.83 CCSc1ccc(nc1)CN 62a_100000210202_100015188789 [0,1,0,0,0,0|2,0,1]=4 972 B11R1.83 CCSc1ccc(nc1)CN 62a_100015188789_100000210202 [0,1,0,0,0,0|2,0,1]=4 973 B11R1.83 CCSc1ccc(nc1)CO 62a_100000210202_100000754261 [0,1,0,0,0,0|1,0,2]=4 974 B11R1.83 CCSc1ccc(nc1)CO 62a_100000754261_100000210202 [0,1,0,0,0,0|1,0,2]=4 975 B11R1.83 CCSc1ccc(nc1)NC 62a_100000210202_100000741341 [0,1,0,0,0,0|3,0,0]=4 976 B11R1.83 CCSc1ccc(nc1)NC 62a_100000741341_100000210202 [0,1,0,0,0,0|3,0,0]=4 977 B11R1.83 CCSc1ccc(nc1)NN 62a_100000210202_100000750576 [0,1,0,0,0,0|3,0,0]=4 978 B11R1.83 CCSc1ccc(nc1)NN 62a_100000750576_100000210202 [0,1,0,0,0,0|3,0,0]=4 979 B11R1.83 CCSc1ccc(nc1)OC 62a_100000047065_100000210202 [0,1,0,0,0,0|3,0,0]=4 980 B11R1.83 CCSc1ccc(nc1)OC 62a_100000210202_100000047065 [0,1,0,0,0,0|3,0,0]=4 981 B11R1.83 CCSc1ccc(nc1)SC 62a_100000210202_100011408404 [0,1,0,0,0,0|3,0,0]=4 982 B11R1.83 CCSc1ccc(nc1)SC 62a_100011408404_100000210202 [0,1,0,0,0,0|3,0,0]=4 983 B11R1.83 CCSc1ccc(nn1)C=O 62a_100000044651_100000210202 [0,1,0,0,0,0|2,0,0]=3 984 B11R1.83 CCSc1ccc(nn1)C=O 62a_100000210202_100000044651 [0,1,0,0,0,0|2,0,0]=3 985 B11R1.83 CCSc1cnc(cn1)C=O 62a_100000210202_100012001714 [0,1,0,0,0,0|2,0,0]=3 986 B11R1.83 CCSc1cnc(cn1)C=O 62a_100012001714_100000210202 [0,1,0,0,0,0|2,0,0]=3 987 B11R1.83 CCSc1ncc(cn1)C=O 62a_100000070856_100000210202 [0,1,0,0,0,0|2,0,0]=3 988 B11R1.83 CCSc1ncc(cn1)C=O 62a_100000210202_100000070856 [0,1,0,0,0,0|2,0,0]=3 989 B11R1.83 CCc1ccc(cc1)CNC 207a_100102657272_100000211036 [0,1,0,0,0,0|1,0,1]=3 990 B11R1.83 CCc1ccc(cc1)CNC 2230a_100000721222_200000210301 [0,1,0,0,0,0|1,0,1]=3 991 B11R1.83 CCc1ccc(cc1)CNC 2230a_106832991635_100000747183 [0,1,0,0,0,0|1,0,1]=3 992 B11R1.83 CCc1ccc(cc1)CNC 26a_100102657272_100000211359 [0,1,0,0,0,0|1,0,1]=3 993 B11R1.83 CCc1ccc(cc1)CNC 270004a_106832991635_100000211036 [0,1,0,0,0,0|1,0,1]=3 994 B11R1.83 CCc1ccc(cc1)CNC 34a_100000721222_200000210301 [0,1,0,0,0,0|1,0,1]=3 995 B11R1.83 CCc1ccc(cc1)CNC 34a_100102657272_100000747183 [0,1,0,0,0,0|1,0,1]=3 996 B11R1.83 CCc1ccc(cc1)CNC 7a_106832991635_100000747183 [0,1,0,0,0,0|1,0,1]=3 997 B11R1.83 CCc1ccc(cc1)CN[13CH3] 2230a_100000721222_200025704644 [0,1,0,0,0,0|1,0,1]=3 998 B11R1.83 CCc1ccc(cc1)CN[13CH3] 34a_100000721222_200025704644 [0,1,0,0,0,0|1,0,1]=3 999 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [0,1,0,0,0,0|0,0,2]=3 1000 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [0,1,0,0,0,0|0,0,2]=3 1001 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [0,1,0,0,0,0|0,0,2]=3 1002 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [0,1,0,0,0,0|0,0,2]=3 1003 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [0,1,0,0,0,0|0,0,2]=3 1004 B11R1.83 CCc1ccc(cc1)CSC 62a_100000757233_200000210301 [0,1,0,0,0,0|0,1,1]=3 1005 B11R1.83 CCc1ccc(cc1)CSC 62a_200000210301_100000747183 [0,1,0,0,0,0|0,1,1]=3 1006 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_100000757233_200025704644 [0,1,0,0,0,0|0,1,1]=3 1007 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_200025704644_100000747183 [0,1,0,0,0,0|0,1,1]=3 1008 B11R1.83 CCc1ccc(cc1)NCF 34a_100000211069_100015361967 [0,1,0,0,0,0|1,0,1]=3 1009 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [0,1,0,0,0,0|1,0,1]=3 1010 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [0,1,0,0,0,0|1,0,1]=3 1011 B11R1.83 CCc1ccc(cc1)SCF 62a_100011215824_100015361967 [0,1,0,0,0,0|1,0,1]=3 1012 B11R1.83 CCc1ccc(cc1)SCF 62a_100015361967_100011215824 [0,1,0,0,0,0|1,0,1]=3 1013 B11R1.83 CCc1ccc(cn1)SCF 62a_100009820025_100015361967 [0,1,0,0,0,0|2,0,1]=4 1014 B11R1.83 CCc1ccc(cn1)SCF 62a_100015361967_100009820025 [0,1,0,0,0,0|2,0,1]=4 1015 B11R1.83 CCc1ccc(nc1)CNC 207a_100102657272_100000069529 [0,1,0,0,0,0|2,0,1]=4 1016 B11R1.83 CCc1ccc(nc1)CNC 2230a_100000069493_200000210301 [0,1,0,0,0,0|2,0,1]=4 1017 B11R1.83 CCc1ccc(nc1)CNC 270004a_106832991635_100000069529 [0,1,0,0,0,0|2,0,1]=4 1018 B11R1.83 CCc1ccc(nc1)CNC 34a_100000069493_200000210301 [0,1,0,0,0,0|2,0,1]=4 1019 B11R1.83 CCc1ccc(nc1)CN[13CH3] 2230a_100000069493_200025704644 [0,1,0,0,0,0|2,0,1]=4 1020 B11R1.83 CCc1ccc(nc1)CN[13CH3] 34a_100000069493_200025704644 [0,1,0,0,0,0|2,0,1]=4 1021 B11R1.83 CCc1ccc(nc1)COC 34a_100000068455_200000210301 [0,1,0,0,0,0|1,0,2]=4 1022 B11R1.83 CCc1ccc(nc1)CO[13CH3] 34a_100000068455_200025704644 [0,1,0,0,0,0|1,0,2]=4 1023 B11R1.83 CCc1ccc(nc1)SCF 62a_100009843584_100015361967 [0,1,0,0,0,0|2,0,1]=4 1024 B11R1.83 CCc1ccc(nc1)SCF 62a_100015361967_100009843584 [0,1,0,0,0,0|2,0,1]=4 1025 B11R1.83 CNCc1ccc(cc1)C#N 207a_100102657272_100000211122 [0,1,0,0,0,0|1,0,1]=3 1026 B11R1.83 CNCc1ccc(cc1)C#N 2230a_106832991635_100000184898 [0,1,0,0,0,0|1,0,1]=3 1027 B11R1.83 CNCc1ccc(cc1)C#N 26a_100102657272_100000210344 [0,1,0,0,0,0|1,0,1]=3 1028 B11R1.83 CNCc1ccc(cc1)C#N 270004a_106832991635_100000211122 [0,1,0,0,0,0|1,0,1]=3 1029 B11R1.83 CNCc1ccc(cc1)C#N 34a_100015207190_200000210301 [0,1,0,0,0,0|1,0,1]=3 1030 B11R1.83 CNCc1ccc(cc1)C#N 34a_100102657272_100000184898 [0,1,0,0,0,0|1,0,1]=3 1031 B11R1.83 CNCc1ccc(cc1)C#N 7a_106832991635_100000184898 [0,1,0,0,0,0|1,0,1]=3 1032 B11R1.83 CNCc1ccc(cc1)C=O 2230a_106832991635_100009816848 [0,1,0,0,0,0|0,0,0]=1 1033 B11R1.83 CNCc1ccc(cc1)C=O 34a_100102657272_100009816848 [0,1,0,0,0,0|0,0,0]=1 1034 B11R1.83 CNCc1ccc(cc1)C=O 7a_106832991635_100009816848 [0,1,0,0,0,0|0,0,0]=1 1035 B11R1.83 CNCc1ccc(cc1)CO 207a_100102657272_100009832023 [0,1,0,0,0,0|0,0,2]=3 1036 B11R1.83 CNCc1ccc(cc1)CO 2230a_100015189231_200000210301 [0,1,0,0,0,0|0,0,2]=3 1037 B11R1.83 CNCc1ccc(cc1)CO 2230a_106832991635_100000067286 [0,1,0,0,0,0|0,0,2]=3 1038 B11R1.83 CNCc1ccc(cc1)CO 26a_100102657272_100000211755 [0,1,0,0,0,0|0,0,2]=3 1039 B11R1.83 CNCc1ccc(cc1)CO 270004a_106832991635_100009832023 [0,1,0,0,0,0|0,0,2]=3 1040 B11R1.83 CNCc1ccc(cc1)CO 34a_100015189231_200000210301 [0,1,0,0,0,0|0,0,2]=3 1041 B11R1.83 CNCc1ccc(cc1)CO 34a_100102657272_100000067286 [0,1,0,0,0,0|0,0,2]=3 1042 B11R1.83 CNCc1ccc(cc1)CO 7a_106832991635_100000067286 [0,1,0,0,0,0|0,0,2]=3 1043 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [0,1,0,0,0,0|2,0,0]=3 1044 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [0,1,0,0,0,0|2,0,0]=3 1045 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [0,1,0,0,0,0|2,0,0]=3 1046 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [0,1,0,0,0,0|2,0,0]=3 1047 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [0,1,0,0,0,0|2,0,0]=3 1048 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [0,1,0,0,0,0|2,0,0]=3 1049 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [0,1,0,0,0,0|2,0,0]=3 1050 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [0,1,0,0,0,0|2,0,0]=3 1051 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [0,1,0,0,0,0|2,0,0]=3 1052 B11R1.83 CNCc1ccc(cc1)SC 207a_100102657272_100000211154 [0,1,0,0,0,0|2,0,0]=3 1053 B11R1.83 CNCc1ccc(cc1)SC 2230a_100000174980_200000210301 [0,1,0,0,0,0|2,0,0]=3 1054 B11R1.83 CNCc1ccc(cc1)SC 2230a_106832991635_100000181263 [0,1,0,0,0,0|2,0,0]=3 1055 B11R1.83 CNCc1ccc(cc1)SC 26a_100102657272_100000211864 [0,1,0,0,0,0|2,0,0]=3 1056 B11R1.83 CNCc1ccc(cc1)SC 270004a_106832991635_100000211154 [0,1,0,0,0,0|2,0,0]=3 1057 B11R1.83 CNCc1ccc(cc1)SC 34a_100000174980_200000210301 [0,1,0,0,0,0|2,0,0]=3 1058 B11R1.83 CNCc1ccc(cc1)SC 34a_100102657272_100000181263 [0,1,0,0,0,0|2,0,0]=3 1059 B11R1.83 CNCc1ccc(cc1)SC 62a_100000180866_200000210301 [0,1,0,0,0,0|2,0,0]=3 1060 B11R1.83 CNCc1ccc(cc1)SC 62a_200000210301_100000180866 [0,1,0,0,0,0|2,0,0]=3 1061 B11R1.83 CNCc1ccc(cc1)SC 7a_106832991635_100000181263 [0,1,0,0,0,0|2,0,0]=3 1062 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_100000180866_200025704644 [0,1,0,0,0,0|2,0,0]=3 1063 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000180866 [0,1,0,0,0,0|2,0,0]=3 1064 B11R1.83 CNCc1ccc(cn1)C#N 2230a_106832991635_100000693164 [0,1,0,0,0,0|2,0,1]=4 1065 B11R1.83 CNCc1ccc(cn1)C#N 270004a_106832991635_100009884217 [0,1,0,0,0,0|2,0,1]=4 1066 B11R1.83 CNCc1ccc(cn1)C#N 34a_100102657272_100000693164 [0,1,0,0,0,0|2,0,1]=4 1067 B11R1.83 CNCc1ccc(cn1)C#N 7a_106832991635_100000693164 [0,1,0,0,0,0|2,0,1]=4 1068 B11R1.83 CNCc1ccc(cn1)OC 207a_100102657272_100000701244 [0,1,0,0,0,0|3,0,0]=4 1069 B11R1.83 CNCc1ccc(cn1)OC 2230a_106832991635_200000757186 [0,1,0,0,0,0|3,0,0]=4 1070 B11R1.83 CNCc1ccc(cn1)OC 270004a_106832991635_100000701244 [0,1,0,0,0,0|3,0,0]=4 1071 B11R1.83 CNCc1ccc(cn1)OC 34a_100000703904_200000210301 [0,1,0,0,0,0|3,0,0]=4 1072 B11R1.83 CNCc1ccc(cn1)OC 34a_100102657272_200000757186 [0,1,0,0,0,0|3,0,0]=4 1073 B11R1.83 CNCc1ccc(cn1)OC 7a_106832991635_200000757186 [0,1,0,0,0,0|3,0,0]=4 1074 B11R1.83 CNCc1ccc(nc1)C#N 2230a_106832991635_100009816919 [0,1,0,0,0,0|2,0,1]=4 1075 B11R1.83 CNCc1ccc(nc1)C#N 270004a_106832991635_100000064383 [0,1,0,0,0,0|2,0,1]=4 1076 B11R1.83 CNCc1ccc(nc1)C#N 34a_100102657272_100009816919 [0,1,0,0,0,0|2,0,1]=4 1077 B11R1.83 CNCc1ccc(nc1)C#N 7a_106832991635_100009816919 [0,1,0,0,0,0|2,0,1]=4 1078 B11R1.83 CNCc1ccc(nc1)OC 207a_100102657272_100000761633 [0,1,0,0,0,0|3,0,0]=4 1079 B11R1.83 CNCc1ccc(nc1)OC 2230a_100000241975_200000210301 [0,1,0,0,0,0|3,0,0]=4 1080 B11R1.83 CNCc1ccc(nc1)OC 2230a_106832991635_100020631284 [0,1,0,0,0,0|3,0,0]=4 1081 B11R1.83 CNCc1ccc(nc1)OC 270004a_106832991635_100000761633 [0,1,0,0,0,0|3,0,0]=4 1082 B11R1.83 CNCc1ccc(nc1)OC 34a_100102657272_100020631284 [0,1,0,0,0,0|3,0,0]=4 1083 B11R1.83 CNCc1ccc(nc1)OC 7a_106832991635_100020631284 [0,1,0,0,0,0|3,0,0]=4 1084 B11R1.83 CNCc1ccc(nc1)SC 62a_100000026953_200000210301 [0,1,0,0,0,0|3,0,0]=4 1085 B11R1.83 CNCc1ccc(nc1)SC 62a_200000210301_100000026953 [0,1,0,0,0,0|3,0,0]=4 1086 B11R1.83 CNCc1ccc(nc1)S[13CH3] 62a_100000026953_200025704644 [0,1,0,0,0,0|3,0,0]=4 1087 B11R1.83 CNCc1ccc(nc1)S[13CH3] 62a_200025704644_100000026953 [0,1,0,0,0,0|3,0,0]=4 1088 B11R1.83 CNc1ccc(cc1)CC#N 34a_100000198999_200000210301 [0,1,0,0,0,0|2,0,1]=4 1089 B11R1.83 CNc1ccc(cc1)CCO 2230a_100011204434_200000210301 [0,1,0,0,0,0|2,0,0]=3 1090 B11R1.83 CNc1ccc(cc1)CCO 34a_100011204434_200000210301 [0,1,0,0,0,0|2,0,0]=3 1091 B11R1.83 CNc1ccc(cc1)COC 34a_100000694113_200000210301 [0,1,0,0,0,0|2,0,0]=3 1092 B11R1.83 CNc1ccc(cc1)CSC 2230a_106726388226_200000210301 [0,1,0,0,0,0|2,0,0]=3 1093 B11R1.83 CNc1ccc(cc1)CSC 34a_106726388226_200000210301 [0,1,0,0,0,0|2,0,0]=3 1094 B11R1.83 CNc1ccc(cc1)CSC 7a_106726388226_200000210301 [0,1,0,0,0,0|2,0,0]=3 1095 B11R1.83 CNc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_200000210301 [0,1,0,0,0,0|3,0,0]=4 1096 B11R1.83 CNc1ccc(cc1)OCF 34a_100000182112_100015361967 [0,1,0,0,0,0|2,0,1]=4 1097 B11R1.83 CNc1ccc(cc1)SCF 62a_100000743151_100015361967 [0,1,0,0,0,0|2,0,1]=4 1098 B11R1.83 CNc1ccc(cc1)SCF 62a_100015361967_100000743151 [0,1,0,0,0,0|2,0,1]=4 1099 B11R1.83 COCc1ccc(cc1)C#N 34a_100000238739_200000210301 [0,1,0,0,0,0|1,0,1]=3 1100 B11R1.83 COCc1ccc(cc1)C#N 34a_100138415774_100000184898 [0,1,0,0,0,0|1,0,1]=3 1101 B11R1.83 COCc1ccc(cc1)C#N 7a_100000238739_200000210301 [0,1,0,0,0,0|1,0,1]=3 1102 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [0,1,0,0,0,0|0,0,0]=1 1103 B11R1.83 COCc1ccc(cc1)CBr 34a_100012353999_200000210301 [0,1,0,0,0,0|1,0,1]=3 1104 B11R1.83 COCc1ccc(cc1)CBr 7a_100012353999_200000210301 [0,1,0,0,0,0|1,0,1]=3 1105 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [0,1,0,0,0,0|1,0,1]=3 1106 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [0,1,0,0,0,0|1,0,1]=3 1107 B11R1.83 COCc1ccc(cc1)CN 34a_100015189231_200000210301 [0,1,0,0,0,0|1,0,1]=3 1108 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [0,1,0,0,0,0|0,0,2]=3 1109 B11R1.83 COCc1ccc(cc1)N[13CH3] 34a_100000694113_200025704644 [0,1,0,0,0,0|2,0,0]=3 1110 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [0,1,0,0,0,0|2,0,0]=3 1111 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [0,1,0,0,0,0|2,0,0]=3 1112 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [0,1,0,0,0,0|2,0,0]=3 1113 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [0,1,0,0,0,0|2,0,0]=3 1114 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [0,1,0,0,0,0|2,0,0]=3 1115 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [0,1,0,0,0,0|2,0,0]=3 1116 B11R1.83 COCc1ccc(cc1)SC 34a_100011215404_200000210301 [0,1,0,0,0,0|2,0,0]=3 1117 B11R1.83 COCc1ccc(cc1)SC 34a_100138415774_100000181263 [0,1,0,0,0,0|2,0,0]=3 1118 B11R1.83 COCc1ccc(cc1)SC 62a_100011493685_200000210301 [0,1,0,0,0,0|2,0,0]=3 1119 B11R1.83 COCc1ccc(cc1)SC 62a_200000210301_100011493685 [0,1,0,0,0,0|2,0,0]=3 1120 B11R1.83 COCc1ccc(cc1)SC 7a_100011215404_200000210301 [0,1,0,0,0,0|2,0,0]=3 1121 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_100011493685_200025704644 [0,1,0,0,0,0|2,0,0]=3 1122 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_200025704644_100011493685 [0,1,0,0,0,0|2,0,0]=3 1123 B11R1.83 COCc1ccc(cn1)C#N 34a_100000101912_200000210301 [0,1,0,0,0,0|2,0,1]=4 1124 B11R1.83 COCc1ccc(cn1)C#N 34a_100138415774_100000693164 [0,1,0,0,0,0|2,0,1]=4 1125 B11R1.83 COCc1ccc(cn1)OC 34a_100011998694_200000210301 [0,1,0,0,0,0|3,0,0]=4 1126 B11R1.83 COCc1ccc(cn1)OC 34a_100138415774_200000757186 [0,1,0,0,0,0|3,0,0]=4 1127 B11R1.83 COCc1ccc(nc1)C#N 34a_100000090650_200000210301 [0,1,0,0,0,0|2,0,1]=4 1128 B11R1.83 COCc1ccc(nc1)C#N 34a_100138415774_100009816919 [0,1,0,0,0,0|2,0,1]=4 1129 B11R1.83 COCc1ccc(nc1)C#N 7a_100000090650_200000210301 [0,1,0,0,0,0|2,0,1]=4 1130 B11R1.83 COCc1ccc(nc1)OC 34a_100000763316_200000210301 [0,1,0,0,0,0|3,0,0]=4 1131 B11R1.83 COCc1ccc(nc1)OC 34a_100138415774_100020631284 [0,1,0,0,0,0|3,0,0]=4 1132 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [0,1,0,0,0,0|2,0,1]=4 1133 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [0,1,0,0,0,0|2,0,1]=4 1134 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [0,1,0,0,0,0|2,0,0]=3 1135 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [0,1,0,0,0,0|2,0,0]=3 1136 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [0,1,0,0,0,0|2,0,0]=3 1137 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [0,1,0,0,0,0|2,0,0]=3 1138 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [0,1,0,0,0,0|2,0,0]=3 1139 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [0,1,0,0,0,0|2,0,0]=3 1140 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [0,1,0,0,0,0|2,0,0]=3 1141 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [0,1,0,0,0,0|2,0,0]=3 1142 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [0,1,0,0,0,0|2,0,0]=3 1143 B11R1.83 COc1ccc(cc1)NCF 34a_100000184247_100015361967 [0,1,0,0,0,0|2,0,1]=4 1144 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [0,1,0,0,0,0|2,0,1]=4 1145 B11R1.83 COc1ccc(cc1)SCF 62a_100015361967_100000171711 [0,1,0,0,0,0|2,0,1]=4 1146 B11R1.83 COc1ccc(cn1)CN[13CH3] 2230a_100000241975_200025704644 [0,1,0,0,0,0|3,0,0]=4 1147 B11R1.83 COc1ccc(cn1)CO[13CH3] 34a_100000763316_200025704644 [0,1,0,0,0,0|3,0,0]=4 1148 B11R1.83 COc1ccc(cn1)CSC 62a_100020631284_200000210301 [0,1,0,0,0,0|3,0,0]=4 1149 B11R1.83 COc1ccc(cn1)CSC 62a_200000210301_100020631284 [0,1,0,0,0,0|3,0,0]=4 1150 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_100020631284_200025704644 [0,1,0,0,0,0|3,0,0]=4 1151 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_200025704644_100020631284 [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.83 COc1ccc(nc1)CN[13CH3] 34a_100000703904_200025704644 [0,1,0,0,0,0|3,0,0]=4 1153 B11R1.83 COc1ccc(nc1)CO[13CH3] 34a_100011998694_200025704644 [0,1,0,0,0,0|3,0,0]=4 1154 B11R1.83 COc1ccc(nc1)CSC 62a_200000210301_200000757186 [0,1,0,0,0,0|3,0,0]=4 1155 B11R1.83 COc1ccc(nc1)CSC 62a_200000757186_200000210301 [0,1,0,0,0,0|3,0,0]=4 1156 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200000757186_200025704644 [0,1,0,0,0,0|3,0,0]=4 1157 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200025704644_200000757186 [0,1,0,0,0,0|3,0,0]=4 1158 B11R1.83 CSCc1ccc(cc1)C#N 62a_200000210301_100000184898 [0,1,0,0,0,0|1,0,1]=3 1159 B11R1.83 CSCc1ccc(cc1)C=O 62a_100009816848_200000210301 [0,1,0,0,0,0|0,0,0]=1 1160 B11R1.83 CSCc1ccc(cc1)C=O 62a_200000210301_100009816848 [0,1,0,0,0,0|0,0,0]=1 1161 B11R1.83 CSCc1ccc(cc1)CO 62a_100000067286_200000210301 [0,1,0,0,0,0|0,0,2]=3 1162 B11R1.83 CSCc1ccc(cc1)CO 62a_200000210301_100000067286 [0,1,0,0,0,0|0,0,2]=3 1163 B11R1.83 CSCc1ccc(cc1)N[13CH3] 2230a_106726388226_200025704644 [0,1,0,0,0,0|2,0,0]=3 1164 B11R1.83 CSCc1ccc(cc1)N[13CH3] 34a_106726388226_200025704644 [0,1,0,0,0,0|2,0,0]=3 1165 B11R1.83 CSCc1ccc(cc1)N[13CH3] 7a_106726388226_200025704644 [0,1,0,0,0,0|2,0,0]=3 1166 B11R1.83 CSCc1ccc(cc1)SC 62a_100000181263_200000210301 [0,1,0,0,0,0|2,0,0]=3 1167 B11R1.83 CSCc1ccc(cc1)SC 62a_200000210301_100000181263 [0,1,0,0,0,0|2,0,0]=3 1168 B11R1.83 CSCc1ccc(cn1)C#N 62a_200000210301_100000693164 [0,1,0,0,0,0|2,0,1]=4 1169 B11R1.83 CSCc1ccc(nc1)C#N 62a_200000210301_100009816919 [0,1,0,0,0,0|2,0,1]=4 1170 B11R1.83 CSCc1ccc(nc1)SC 62a_100000753673_200000210301 [0,1,0,0,0,0|3,0,0]=4 1171 B11R1.83 CSCc1ccc(nc1)SC 62a_200000210301_100000753673 [0,1,0,0,0,0|3,0,0]=4 1172 B11R1.83 CSCc1ccc(nc1)S[13CH3] 62a_100000753673_200025704644 [0,1,0,0,0,0|3,0,0]=4 1173 B11R1.83 CSCc1ccc(nc1)S[13CH3] 62a_200025704644_100000753673 [0,1,0,0,0,0|3,0,0]=4 1174 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [0,1,0,0,0,0|2,0,0]=3 1175 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [0,1,0,0,0,0|2,0,0]=3 1176 B11R1.83 CSc1ccc(cc1)CC#N 62a_100011217881_200000210301 [0,1,0,0,0,0|2,0,1]=4 1177 B11R1.83 CSc1ccc(cc1)CC#N 62a_200000210301_100011217881 [0,1,0,0,0,0|2,0,1]=4 1178 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [0,1,0,0,0,0|1,0,0]=2 1179 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [0,1,0,0,0,0|1,0,0]=2 1180 B11R1.83 CSc1ccc(cc1)CCN 62a_100000755846_200000210301 [0,1,0,0,0,0|2,0,0]=3 1181 B11R1.83 CSc1ccc(cc1)CCN 62a_200000210301_100000755846 [0,1,0,0,0,0|2,0,0]=3 1182 B11R1.83 CSc1ccc(cc1)CCO 62a_100000766406_200000210301 [0,1,0,0,0,0|2,0,0]=3 1183 B11R1.83 CSc1ccc(cc1)CCO 62a_200000210301_100000766406 [0,1,0,0,0,0|2,0,0]=3 1184 B11R1.83 CSc1ccc(cc1)CNN 62a_100016993955_200000210301 [0,1,0,0,0,0|2,0,1]=4 1185 B11R1.83 CSc1ccc(cc1)CNN 62a_200000210301_100016993955 [0,1,0,0,0,0|2,0,1]=4 1186 B11R1.83 CSc1ccc(cc1)CN[13CH3] 2230a_100000174980_200025704644 [0,1,0,0,0,0|2,0,0]=3 1187 B11R1.83 CSc1ccc(cc1)CN[13CH3] 34a_100000174980_200025704644 [0,1,0,0,0,0|2,0,0]=3 1188 B11R1.83 CSc1ccc(cc1)CO[13CH3] 34a_100011215404_200025704644 [0,1,0,0,0,0|2,0,0]=3 1189 B11R1.83 CSc1ccc(cc1)CO[13CH3] 7a_100011215404_200025704644 [0,1,0,0,0,0|2,0,0]=3 1190 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_100000181263_200025704644 [0,1,0,0,0,0|2,0,0]=3 1191 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_200025704644_100000181263 [0,1,0,0,0,0|2,0,0]=3 1192 B11R1.83 CSc1ccc(cc1)N=[N+]=[N-] 62a_200000210301_100000735661 [0,1,0,0,0,0|3,0,0]=4 1193 B11R1.83 CSc1ccc(cc1)NC#N 62a_200000210301_100011685341 [0,1,0,0,0,0|2,0,1]=4 1194 B11R1.83 CSc1ccc(cc1)NCF 34a_100000212337_100015361967 [0,1,0,0,0,0|2,0,1]=4 1195 B11R1.83 CSc1ccc(cc1)OCF 34a_100000211864_100015361967 [0,1,0,0,0,0|2,0,1]=4 1196 B11R1.83 CSc1ccc(cc1)SCF 62a_100011263217_100015361967 [0,1,0,0,0,0|2,0,1]=4 1197 B11R1.83 CSc1ccc(cc1)SCF 62a_100015361967_100011263217 [0,1,0,0,0,0|2,0,1]=4 1198 B11R1.83 CSc1ccc(cn1)CCO 62a_100009880866_200000210301 [0,1,0,0,0,0|3,0,0]=4 1199 B11R1.83 CSc1ccc(cn1)CCO 62a_200000210301_100009880866 [0,1,0,0,0,0|3,0,0]=4 1200 B11R1.83 CSc1ccc(nc1)CCO 62a_100012357577_200000210301 [0,1,0,0,0,0|3,0,0]=4 1201 B11R1.83 CSc1ccc(nc1)CCO 62a_200000210301_100012357577 [0,1,0,0,0,0|3,0,0]=4 1202 B11R1.83 FCSc1ccc(cc1)CF 62a_100010268989_100015361967 [0,1,0,0,0,0|2,0,1]=4 1203 B11R1.83 FCSc1ccc(cc1)CF 62a_100015361967_100010268989 [0,1,0,0,0,0|2,0,1]=4 1204 B11R1.83 N#Cc1ccc(cc1)NCF 34a_100000185469_100015361967 [0,1,0,0,0,0|2,0,1]=4 1205 B11R1.83 N#Cc1ccc(cc1)OCF 34a_100000210344_100015361967 [0,1,0,0,0,0|2,0,1]=4 1206 B11R1.83 N#Cc1ccc(cc1)OCF 7a_100000210344_100015361967 [0,1,0,0,0,0|2,0,1]=4 1207 B11R1.83 N#Cc1ccc(cc1)SCF 62a_100015361967_100000184291 [0,1,0,0,0,0|2,0,1]=4 1208 B11R1.83 NCc1ccc(cc1)OCF 34a_100000185549_100015361967 [0,1,0,0,0,0|2,0,1]=4 1209 B11R1.83 NCc1ccc(cc1)SCF 62a_100015361967_100016989417 [0,1,0,0,0,0|2,0,1]=4 1210 B11R1.83 NCc1ccc(cc1)SCF 62a_100016989417_100015361967 [0,1,0,0,0,0|2,0,1]=4 1211 B11R1.83 NNc1ccc(cc1)SCF 62a_100015361967_100016988836 [0,1,0,0,0,0|3,0,0]=4 1212 B11R1.83 NNc1ccc(cc1)SCF 62a_100016988836_100015361967 [0,1,0,0,0,0|3,0,0]=4 1213 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100000188517_100015361967 [0,1,0,0,0,0|1,0,0]=2 1214 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100015361967_100000188517 [0,1,0,0,0,0|1,0,0]=2 1215 B11R1.83 O=Cc1ccc(cn1)SCF 62a_100000754260_100015361967 [0,1,0,0,0,0|2,0,0]=3 1216 B11R1.83 O=Cc1ccc(cn1)SCF 62a_100015361967_100000754260 [0,1,0,0,0,0|2,0,0]=3 1217 B11R1.83 O=Cc1ccc(nc1)SCF 62a_100000766901_100015361967 [0,1,0,0,0,0|2,0,0]=3 1218 B11R1.83 O=Cc1ccc(nc1)SCF 62a_100015361967_100000766901 [0,1,0,0,0,0|2,0,0]=3 1219 B11R1.83 O=Cc1ccc(nn1)SCF 62a_100000044651_100015361967 [0,1,0,0,0,0|3,0,0]=4 1220 B11R1.83 O=Cc1ccc(nn1)SCF 62a_100015361967_100000044651 [0,1,0,0,0,0|3,0,0]=4 1221 B11R1.83 O=Cc1cnc(cn1)SCF 62a_100012001714_100015361967 [0,1,0,0,0,0|3,0,0]=4 1222 B11R1.83 O=Cc1cnc(cn1)SCF 62a_100015361967_100012001714 [0,1,0,0,0,0|3,0,0]=4 1223 B11R1.83 O=Cc1cnc(nc1)SCF 62a_100000070856_100015361967 [0,1,0,0,0,0|3,0,0]=4 1224 B11R1.83 O=Cc1cnc(nc1)SCF 62a_100015361967_100000070856 [0,1,0,0,0,0|3,0,0]=4 1225 B11R1.83 OCc1ccc(cc1)NCF 34a_100011215238_100015361967 [0,1,0,0,0,0|1,0,2]=4 1226 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [0,1,0,0,0,0|1,0,2]=4 1227 B11R1.83 OCc1ccc(cc1)SCF 62a_100000690907_100015361967 [0,1,0,0,0,0|1,0,2]=4 1228 B11R1.83 OCc1ccc(cc1)SCF 62a_100015361967_100000690907 [0,1,0,0,0,0|1,0,2]=4 1229 B11R1.83 [13CH3]NCc1ccc(cc1)C#N 34a_100015207190_200025704644 [0,1,0,0,0,0|1,0,1]=3 1230 B11R1.83 [13CH3]NCc1ccc(cc1)CO 2230a_100015189231_200025704644 [0,1,0,0,0,0|0,0,2]=3 1231 B11R1.83 [13CH3]NCc1ccc(cc1)CO 34a_100015189231_200025704644 [0,1,0,0,0,0|0,0,2]=3 1232 B11R1.83 [13CH3]Nc1ccc(cc1)CC#N 34a_100000198999_200025704644 [0,1,0,0,0,0|2,0,1]=4 1233 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 2230a_100011204434_200025704644 [0,1,0,0,0,0|2,0,0]=3 1234 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 34a_100011204434_200025704644 [0,1,0,0,0,0|2,0,0]=3 1235 B11R1.83 [13CH3]Nc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_200025704644 [0,1,0,0,0,0|3,0,0]=4 1236 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 34a_100000238739_200025704644 [0,1,0,0,0,0|1,0,1]=3 1237 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 7a_100000238739_200025704644 [0,1,0,0,0,0|1,0,1]=3 1238 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 34a_100012353999_200025704644 [0,1,0,0,0,0|1,0,1]=3 1239 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 7a_100012353999_200025704644 [0,1,0,0,0,0|1,0,1]=3 1240 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [0,1,0,0,0,0|1,0,1]=3 1241 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [0,1,0,0,0,0|1,0,1]=3 1242 B11R1.83 [13CH3]OCc1ccc(cc1)CN 34a_100015189231_200025704644 [0,1,0,0,0,0|1,0,1]=3 1243 B11R1.83 [13CH3]OCc1ccc(cn1)C#N 34a_100000101912_200025704644 [0,1,0,0,0,0|2,0,1]=4 1244 B11R1.83 [13CH3]OCc1ccc(nc1)C#N 34a_100000090650_200025704644 [0,1,0,0,0,0|2,0,1]=4 1245 B11R1.83 [13CH3]OCc1ccc(nc1)C#N 7a_100000090650_200025704644 [0,1,0,0,0,0|2,0,1]=4 1246 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [0,1,0,0,0,0|2,0,1]=4 1247 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [0,1,0,0,0,0|2,0,1]=4 1248 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [0,1,0,0,0,0|2,0,0]=3 1249 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [0,1,0,0,0,0|2,0,0]=3 1250 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [0,1,0,0,0,0|2,0,0]=3 1251 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [0,1,0,0,0,0|2,0,0]=3 1252 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [0,1,0,0,0,0|2,0,0]=3 1253 B11R1.83 [13CH3]SCc1ccc(cc1)C#N 62a_200025704644_100000184898 [0,1,0,0,0,0|1,0,1]=3 1254 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_100009816848_200025704644 [0,1,0,0,0,0|0,0,0]=1 1255 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_200025704644_100009816848 [0,1,0,0,0,0|0,0,0]=1 1256 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_100000067286_200025704644 [0,1,0,0,0,0|0,0,2]=3 1257 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_200025704644_100000067286 [0,1,0,0,0,0|0,0,2]=3 1258 B11R1.83 [13CH3]SCc1ccc(cn1)C#N 62a_200025704644_100000693164 [0,1,0,0,0,0|2,0,1]=4 1259 B11R1.83 [13CH3]SCc1ccc(nc1)C#N 62a_200025704644_100009816919 [0,1,0,0,0,0|2,0,1]=4 1260 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [0,1,0,0,0,0|2,0,0]=3 1261 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [0,1,0,0,0,0|2,0,0]=3 1262 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_100011217881_200025704644 [0,1,0,0,0,0|2,0,1]=4 1263 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_200025704644_100011217881 [0,1,0,0,0,0|2,0,1]=4 1264 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [0,1,0,0,0,0|1,0,0]=2 1265 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [0,1,0,0,0,0|1,0,0]=2 1266 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_100000755846_200025704644 [0,1,0,0,0,0|2,0,0]=3 1267 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_200025704644_100000755846 [0,1,0,0,0,0|2,0,0]=3 1268 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_100000766406_200025704644 [0,1,0,0,0,0|2,0,0]=3 1269 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_200025704644_100000766406 [0,1,0,0,0,0|2,0,0]=3 1270 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_100016993955_200025704644 [0,1,0,0,0,0|2,0,1]=4 1271 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_200025704644_100016993955 [0,1,0,0,0,0|2,0,1]=4 1272 B11R1.83 [13CH3]Sc1ccc(cc1)N=[N+]=[N-] 62a_200025704644_100000735661 [0,1,0,0,0,0|3,0,0]=4 1273 B11R1.83 [13CH3]Sc1ccc(cc1)NC#N 62a_200025704644_100011685341 [0,1,0,0,0,0|2,0,1]=4 1274 B11R1.83 [13CH3]Sc1ccc(cn1)CCO 62a_100009880866_200025704644 [0,1,0,0,0,0|3,0,0]=4 1275 B11R1.83 [13CH3]Sc1ccc(cn1)CCO 62a_200025704644_100009880866 [0,1,0,0,0,0|3,0,0]=4 1276 B11R1.83 [13CH3]Sc1ccc(nc1)CCO 62a_100012357577_200025704644 [0,1,0,0,0,0|3,0,0]=4 1277 B11R1.83 [13CH3]Sc1ccc(nc1)CCO 62a_200025704644_100012357577 [0,1,0,0,0,0|3,0,0]=4 1278 B11R1.279 C#Cc1ccc(cc1Cl)NC 2230a_100012001888_200000210301 [0,1,0,0,0,0|2,0,1]=4 1279 B11R1.279 C#Cc1ccc(cc1Cl)NC 34a_100012001888_200000210301 [0,1,0,0,0,0|2,0,1]=4 1280 B11R1.279 C#Cc1ccc(cc1Cl)N[13CH3] 2230a_100012001888_200025704644 [0,1,0,0,0,0|2,0,1]=4 1281 B11R1.279 C#Cc1ccc(cc1Cl)N[13CH3] 34a_100012001888_200025704644 [0,1,0,0,0,0|2,0,1]=4 1282 B11R1.279 C#Cc1ccc(cc1F)NC 2230a_100012001886_200000210301 [0,1,0,0,0,0|2,0,1]=4 1283 B11R1.279 C#Cc1ccc(cc1F)NC 34a_100012001886_200000210301 [0,1,0,0,0,0|2,0,1]=4 1284 B11R1.279 C#Cc1ccc(cc1F)N[13CH3] 2230a_100012001886_200025704644 [0,1,0,0,0,0|2,0,1]=4 1285 B11R1.279 C#Cc1ccc(cc1F)N[13CH3] 34a_100012001886_200025704644 [0,1,0,0,0,0|2,0,1]=4 1286 B11R1.279 C=Cc1cc(c(cn1)C=O)C 271570a_100011290941_100000085382 [0,1,0,0,0,0|1,0,2]=4 1287 B11R1.279 C=Cc1cc(c(cn1)CO)C 271570a_100011290941_100010277336 [0,1,0,0,0,0|3,0,0]=4 1288 B11R1.279 C=Cc1cc(c(cn1)CO)N 271570a_100011290941_100009830438 [0,1,0,0,0,0|3,0,0]=4 1289 B11R1.279 C=Cc1cc(c(cn1)NC)N 271570a_100011290941_200015721873 [0,1,0,0,0,0|3,0,0]=4 1290 B11R1.279 C=Cc1cc(c(cn1)OC)N 271570a_100011290941_100010896307 [0,1,0,0,0,0|3,0,0]=4 1291 B11R1.279 C=Cc1cc(c(cn1)OC)O 271570a_100011290941_100010264082 [0,1,0,0,0,0|3,0,0]=4 1292 B11R1.279 C=Cc1ccc(c(c1)Br)C#N 271570a_100011290941_100012349582 [0,1,0,0,0,0|2,0,1]=4 1293 B11R1.279 C=Cc1ccc(c(c1)Br)C=O 271570a_100011290941_100010185650 [0,1,0,0,0,0|0,0,2]=3 1294 B11R1.279 C=Cc1ccc(c(c1)Br)CO 271570a_100011290941_100010240206 [0,1,0,0,0,0|2,0,0]=3 1295 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [0,1,0,0,0,0|2,0,0]=3 1296 B11R1.279 C=Cc1ccc(c(c1)C)C#N 271570a_100011290941_100000687762 [0,1,0,0,0,0|2,0,1]=4 1297 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [0,1,0,0,0,0|0,0,2]=3 1298 B11R1.279 C=Cc1ccc(c(c1)C)CF 271570a_100011290941_200010711859 [0,1,0,0,0,0|2,0,0]=3 1299 B11R1.279 C=Cc1ccc(c(c1)C)CN 271570a_100011290941_100000753881 [0,1,0,0,0,0|2,0,0]=3 1300 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [0,1,0,0,0,0|2,0,0]=3 1301 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [0,1,0,0,0,0|2,0,0]=3 1302 B11R1.279 C=Cc1ccc(c(c1)C)NN 271570a_100011290941_100000751375 [0,1,0,0,0,0|3,0,0]=4 1303 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [0,1,0,0,0,0|2,0,0]=3 1304 B11R1.279 C=Cc1ccc(c(c1)Cl)C#N 271570a_100011290941_100012349662 [0,1,0,0,0,0|2,0,1]=4 1305 B11R1.279 C=Cc1ccc(c(c1)Cl)C=O 271570a_100011290941_100000727542 [0,1,0,0,0,0|0,0,2]=3 1306 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [0,1,0,0,0,0|2,0,0]=3 1307 B11R1.279 C=Cc1ccc(c(c1)Cl)SC 271570a_100011290941_206447510565 [0,1,0,0,0,0|2,0,0]=3 1308 B11R1.279 C=Cc1ccc(c(c1)F)C#N 271570a_100011290941_100000037869 [0,1,0,0,0,0|2,0,1]=4 1309 B11R1.279 C=Cc1ccc(c(c1)F)C=O 271570a_100011290941_100000211676 [0,1,0,0,0,0|0,0,2]=3 1310 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [0,1,0,0,0,0|1,0,0]=2 1311 B11R1.279 C=Cc1ccc(c(c1)F)CN 271570a_100011290941_100000754580 [0,1,0,0,0,0|2,0,0]=3 1312 B11R1.279 C=Cc1ccc(c(c1)F)CO 271570a_100011290941_100011191541 [0,1,0,0,0,0|2,0,0]=3 1313 B11R1.279 C=Cc1ccc(c(c1)F)NC 271570a_100011290941_100000743884 [0,1,0,0,0,0|2,0,0]=3 1314 B11R1.279 C=Cc1ccc(c(c1)F)NN 271570a_100011290941_100000751572 [0,1,0,0,0,0|3,0,0]=4 1315 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [0,1,0,0,0,0|2,0,0]=3 1316 B11R1.279 C=Cc1ccc(c(c1)F)SC 271570a_100011290941_100010161220 [0,1,0,0,0,0|2,0,0]=3 1317 B11R1.279 C=Cc1ccc(c(c1)N)C#N 271570a_100011290941_100000699244 [0,1,0,0,0,0|2,0,1]=4 1318 B11R1.279 C=Cc1ccc(c(c1)N)C=O 271570a_100011290941_100009814810 [0,1,0,0,0,0|0,0,2]=3 1319 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [0,1,0,0,0,0|1,0,0]=2 1320 B11R1.279 C=Cc1ccc(c(c1)N)CO 271570a_100011290941_100000718831 [0,1,0,0,0,0|2,0,0]=3 1321 B11R1.279 C=Cc1ccc(c(c1)N)NC 271570a_100011290941_100000741790 [0,1,0,0,0,0|2,0,0]=3 1322 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [0,1,0,0,0,0|2,0,0]=3 1323 B11R1.279 C=Cc1ccc(c(c1)O)C#N 271570a_100011290941_100011934713 [0,1,0,0,0,0|2,0,1]=4 1324 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [0,1,0,0,0,0|0,0,2]=3 1325 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [0,1,0,0,0,0|2,0,0]=3 1326 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [0,1,0,0,0,0|2,0,0]=3 1327 B11R1.279 C=Cc1ccc(c(n1)Br)OC 271570a_100011290941_100010214827 [0,1,0,0,0,0|3,0,0]=4 1328 B11R1.279 C=Cc1ccc(c(n1)C)C=O 271570a_100011290941_100000050599 [0,1,0,0,0,0|1,0,2]=4 1329 B11R1.279 C=Cc1ccc(c(n1)C)OC 271570a_100011290941_100010244750 [0,1,0,0,0,0|3,0,0]=4 1330 B11R1.279 C=Cc1ccc(c(n1)Cl)OC 271570a_100011290941_100010233546 [0,1,0,0,0,0|3,0,0]=4 1331 B11R1.279 C=Cc1ccc(c(n1)F)C=O 271570a_100011290941_100010064369 [0,1,0,0,0,0|1,0,2]=4 1332 B11R1.279 C=Cc1ccc(c(n1)F)CO 271570a_100011290941_100009870654 [0,1,0,0,0,0|3,0,0]=4 1333 B11R1.279 C=Cc1ccc(c(n1)F)OC 271570a_100011290941_100010138636 [0,1,0,0,0,0|3,0,0]=4 1334 B11R1.279 C=Cc1ccc(c(n1)N)OC 271570a_100011290941_100010192976 [0,1,0,0,0,0|3,0,0]=4 1335 B11R1.279 C=Cc1ccc(cc1Br)C#N 271570a_100011290941_100012356348 [0,1,0,0,0,0|2,0,1]=4 1336 B11R1.279 C=Cc1ccc(cc1Br)CC 271570a_100011290941_200009997437 [0,1,0,0,0,0|1,0,0]=2 1337 B11R1.279 C=Cc1ccc(cc1Br)OC 271570a_100011290941_100012349170 [0,1,0,0,0,0|2,0,0]=3 1338 B11R1.279 C=Cc1ccc(cc1C)C#N 271570a_100011290941_100000212329 [0,1,0,0,0,0|2,0,1]=4 1339 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [0,1,0,0,0,0|0,0,2]=3 1340 B11R1.279 C=Cc1ccc(cc1C)CN 271570a_100011290941_100015205234 [0,1,0,0,0,0|2,0,0]=3 1341 B11R1.279 C=Cc1ccc(cc1C)CO 271570a_100011290941_100000718852 [0,1,0,0,0,0|2,0,0]=3 1342 B11R1.279 C=Cc1ccc(cc1C)NC 271570a_100011290941_100102888905 [0,1,0,0,0,0|2,0,0]=3 1343 B11R1.279 C=Cc1ccc(cc1C)NN 271570a_100011290941_100000745493 [0,1,0,0,0,0|3,0,0]=4 1344 B11R1.279 C=Cc1ccc(cc1C)OC 271570a_100011290941_100000759875 [0,1,0,0,0,0|2,0,0]=3 1345 B11R1.279 C=Cc1ccc(cc1Cl)C#N 271570a_100011290941_100012349663 [0,1,0,0,0,0|2,0,1]=4 1346 B11R1.279 C=Cc1ccc(cc1Cl)CO 271570a_100011290941_100000718186 [0,1,0,0,0,0|2,0,0]=3 1347 B11R1.279 C=Cc1ccc(cc1F)C#N 271570a_100011290941_100011794375 [0,1,0,0,0,0|2,0,1]=4 1348 B11R1.279 C=Cc1ccc(cc1F)C=O 271570a_100011290941_100000686674 [0,1,0,0,0,0|0,0,2]=3 1349 B11R1.279 C=Cc1ccc(cc1F)CC 271570a_100011290941_200010339503 [0,1,0,0,0,0|1,0,0]=2 1350 B11R1.279 C=Cc1ccc(cc1F)CN 271570a_100011290941_100000755036 [0,1,0,0,0,0|2,0,0]=3 1351 B11R1.279 C=Cc1ccc(cc1F)CO 271570a_100011290941_100011533735 [0,1,0,0,0,0|2,0,0]=3 1352 B11R1.279 C=Cc1ccc(cc1F)NC 271570a_100011290941_100012285320 [0,1,0,0,0,0|2,0,0]=3 1353 B11R1.279 C=Cc1ccc(cc1F)NN 271570a_100011290941_100016992936 [0,1,0,0,0,0|3,0,0]=4 1354 B11R1.279 C=Cc1ccc(cc1F)OC 271570a_100011290941_100000753793 [0,1,0,0,0,0|2,0,0]=3 1355 B11R1.279 C=Cc1ccc(cc1F)SC 271570a_100011290941_100009816902 [0,1,0,0,0,0|2,0,0]=3 1356 B11R1.279 C=Cc1ccc(cc1F)SC 62a_100011935271_200000210301 [0,1,0,0,0,0|2,0,0]=3 1357 B11R1.279 C=Cc1ccc(cc1F)SC 62a_200000210301_100011935271 [0,1,0,0,0,0|2,0,0]=3 1358 B11R1.279 C=Cc1ccc(cc1F)S[13CH3] 62a_100011935271_200025704644 [0,1,0,0,0,0|2,0,0]=3 1359 B11R1.279 C=Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100011935271 [0,1,0,0,0,0|2,0,0]=3 1360 B11R1.279 C=Cc1ccc(cc1N)C#N 271570a_100011290941_100012001879 [0,1,0,0,0,0|2,0,1]=4 1361 B11R1.279 C=Cc1ccc(cc1N)CO 271570a_100011290941_100012347568 [0,1,0,0,0,0|2,0,0]=3 1362 B11R1.279 C=Cc1ccc(cc1N)OC 271570a_100011290941_100000748021 [0,1,0,0,0,0|2,0,0]=3 1363 B11R1.279 C=Cc1ccc(cc1O)C#N 271570a_100011290941_100000724445 [0,1,0,0,0,0|2,0,1]=4 1364 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [0,1,0,0,0,0|0,0,2]=3 1365 B11R1.279 C=Cc1ccc(cc1O)CO 271570a_100011290941_100000049605 [0,1,0,0,0,0|2,0,0]=3 1366 B11R1.279 C=Cc1ccc(cc1O)OC 271570a_100011290941_100000719091 [0,1,0,0,0,0|2,0,0]=3 1367 B11R1.279 C=Cc1ccc(nc1C)C=O 271570a_100011290941_100010238520 [0,1,0,0,0,0|1,0,2]=4 1368 B11R1.279 C=Cc1ccc(nc1C)CO 271570a_100011290941_100010114280 [0,1,0,0,0,0|3,0,0]=4 1369 B11R1.279 C=Cc1ccc(nc1C)OC 271570a_100011290941_100000766551 [0,1,0,0,0,0|3,0,0]=4 1370 B11R1.279 C=Cc1ccc(nc1F)OC 271570a_100011290941_100010067559 [0,1,0,0,0,0|3,0,0]=4 1371 B11R1.279 C=Cc1ccc(nc1N)OC 271570a_100011290941_100010187629 [0,1,0,0,0,0|3,0,0]=4 1372 B11R1.279 C=Cc1cnc(c(c1)Br)OC 271570a_100011290941_200010988584 [0,1,0,0,0,0|3,0,0]=4 1373 B11R1.279 C=Cc1cnc(c(c1)C)C=O 271570a_100011290941_100010185443 [0,1,0,0,0,0|1,0,2]=4 1374 B11R1.279 C=Cc1cnc(c(c1)C)CO 271570a_100011290941_100010116297 [0,1,0,0,0,0|3,0,0]=4 1375 B11R1.279 C=Cc1cnc(c(c1)C)NC 271570a_100011290941_100012357622 [0,1,0,0,0,0|3,0,0]=4 1376 B11R1.279 C=Cc1cnc(c(c1)C)OC 271570a_100011290941_100011290809 [0,1,0,0,0,0|3,0,0]=4 1377 B11R1.279 C=Cc1cnc(c(c1)F)C=O 271570a_100011290941_100010180630 [0,1,0,0,0,0|1,0,2]=4 1378 B11R1.279 C=Cc1cnc(c(c1)F)CN 271570a_100011290941_100015188786 [0,1,0,0,0,0|3,0,0]=4 1379 B11R1.279 C=Cc1cnc(c(c1)F)CO 271570a_100011290941_100010065252 [0,1,0,0,0,0|3,0,0]=4 1380 B11R1.279 C=Cc1cnc(c(c1)F)OC 271570a_100011290941_100011880707 [0,1,0,0,0,0|3,0,0]=4 1381 B11R1.279 C=Cc1cnc(c(c1)N)NC 271570a_100011290941_100011432983 [0,1,0,0,0,0|3,0,0]=4 1382 B11R1.279 C=Cc1cnc(c(c1)N)OC 271570a_100011290941_100000748608 [0,1,0,0,0,0|3,0,0]=4 1383 B11R1.279 C=Cc1cnc(c(c1)O)OC 271570a_100011290941_100010135713 [0,1,0,0,0,0|3,0,0]=4 1384 B11R1.279 C=Cc1cnc(cc1C)C=O 271570a_100011290941_100009814806 [0,1,0,0,0,0|1,0,2]=4 1385 B11R1.279 C=Cc1cnc(cc1C)CO 271570a_100011290941_200010713146 [0,1,0,0,0,0|3,0,0]=4 1386 B11R1.279 C=Cc1cnc(cc1C)NC 271570a_100011290941_100012352278 [0,1,0,0,0,0|3,0,0]=4 1387 B11R1.279 C=Cc1cnc(cc1C)OC 271570a_100011290941_100011934368 [0,1,0,0,0,0|3,0,0]=4 1388 B11R1.279 C=Cc1cnc(cc1F)OC 271570a_100011290941_100010136277 [0,1,0,0,0,0|3,0,0]=4 1389 B11R1.279 C=Cc1cnc(cc1N)OC 271570a_100011290941_100010254562 [0,1,0,0,0,0|3,0,0]=4 1390 B11R1.279 C=Cc1cnc(cc1O)OC 271570a_100011290941_100010738159 [0,1,0,0,0,0|3,0,0]=4 1391 B11R1.279 C=Cc1ncc(cc1C)C=O 271570a_100011290941_100000070293 [0,1,0,0,0,0|1,0,2]=4 1392 B11R1.279 C=Cc1ncc(cc1C)CO 271570a_100011290941_200000092119 [0,1,0,0,0,0|3,0,0]=4 1393 B11R1.279 C=Cc1ncc(cc1C)OC 271570a_100011290941_200009851512 [0,1,0,0,0,0|3,0,0]=4 1394 B11R1.279 C=Cc1ncc(cc1C)SC 271570a_100011290941_203440288091 [0,1,0,0,0,0|3,0,0]=4 1395 B11R1.279 C=Cc1ncc(cc1F)C=O 271570a_100011290941_100009866847 [0,1,0,0,0,0|1,0,2]=4 1396 B11R1.279 C=Cc1ncc(cc1F)CO 271570a_100011290941_100010065243 [0,1,0,0,0,0|3,0,0]=4 1397 B11R1.279 C=Cc1ncc(cc1F)SC 271570a_100011290941_100010884644 [0,1,0,0,0,0|3,0,0]=4 1398 B11R1.279 C=Cc1ncc(cc1N)OC 271570a_100011290941_100010074831 [0,1,0,0,0,0|3,0,0]=4 1399 B11R1.279 CCc1ccc(c(c1)Br)NC 2230a_100012339725_200000210301 [0,1,0,0,0,0|2,0,0]=3 1400 B11R1.279 CCc1ccc(c(c1)Br)NC 34a_100012339725_200000210301 [0,1,0,0,0,0|2,0,0]=3 1401 B11R1.279 CCc1ccc(c(c1)Br)N[13CH3] 2230a_100012339725_200025704644 [0,1,0,0,0,0|2,0,0]=3 1402 B11R1.279 CCc1ccc(c(c1)Br)N[13CH3] 34a_100012339725_200025704644 [0,1,0,0,0,0|2,0,0]=3 1403 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [0,1,0,0,0,0|2,0,0]=3 1404 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [0,1,0,0,0,0|2,0,0]=3 1405 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [0,1,0,0,0,0|2,0,0]=3 1406 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [0,1,0,0,0,0|2,0,0]=3 1407 B11R1.279 CCc1ccc(c(c1)Br)SC 62a_200000210301_200009997437 [0,1,0,0,0,0|2,0,0]=3 1408 B11R1.279 CCc1ccc(c(c1)Br)SC 62a_200009997437_200000210301 [0,1,0,0,0,0|2,0,0]=3 1409 B11R1.279 CCc1ccc(c(c1)Br)S[13CH3] 62a_200009997437_200025704644 [0,1,0,0,0,0|2,0,0]=3 1410 B11R1.279 CCc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_200009997437 [0,1,0,0,0,0|2,0,0]=3 1411 B11R1.279 CCc1ccc(c(c1)C)NC 2230a_100011226020_200000210301 [0,1,0,0,0,0|2,0,0]=3 1412 B11R1.279 CCc1ccc(c(c1)C)NC 34a_100011226020_200000210301 [0,1,0,0,0,0|2,0,0]=3 1413 B11R1.279 CCc1ccc(c(c1)C)NC 7a_100011226020_200000210301 [0,1,0,0,0,0|2,0,0]=3 1414 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 2230a_100011226020_200025704644 [0,1,0,0,0,0|2,0,0]=3 1415 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 34a_100011226020_200025704644 [0,1,0,0,0,0|2,0,0]=3 1416 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 7a_100011226020_200025704644 [0,1,0,0,0,0|2,0,0]=3 1417 B11R1.279 CCc1ccc(c(c1)F)NC 2230a_100016177294_200000210301 [0,1,0,0,0,0|2,0,0]=3 1418 B11R1.279 CCc1ccc(c(c1)F)NC 34a_100016177294_200000210301 [0,1,0,0,0,0|2,0,0]=3 1419 B11R1.279 CCc1ccc(c(c1)F)N[13CH3] 2230a_100016177294_200025704644 [0,1,0,0,0,0|2,0,0]=3 1420 B11R1.279 CCc1ccc(c(c1)F)N[13CH3] 34a_100016177294_200025704644 [0,1,0,0,0,0|2,0,0]=3 1421 B11R1.279 CCc1ccc(c(c1)F)SC 62a_200000210301_200010339503 [0,1,0,0,0,0|2,0,0]=3 1422 B11R1.279 CCc1ccc(c(c1)F)SC 62a_200010339503_200000210301 [0,1,0,0,0,0|2,0,0]=3 1423 B11R1.279 CCc1ccc(c(c1)F)S[13CH3] 62a_200010339503_200025704644 [0,1,0,0,0,0|2,0,0]=3 1424 B11R1.279 CCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200010339503 [0,1,0,0,0,0|2,0,0]=3 1425 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [0,1,0,0,0,0|2,0,0]=3 1426 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [0,1,0,0,0,0|2,0,0]=3 1427 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [0,1,0,0,0,0|2,0,0]=3 1428 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [0,1,0,0,0,0|2,0,0]=3 1429 B11R1.279 CCc1ccc(c(c1)O)C#N 271570a_203496583355_100010295696 [0,1,0,0,0,0|1,0,1]=3 1430 B11R1.279 CCc1ccc(c(c1)O)NC 34a_100000124328_200000210301 [0,1,0,0,0,0|2,0,0]=3 1431 B11R1.279 CCc1ccc(c(c1)O)N[13CH3] 34a_100000124328_200025704644 [0,1,0,0,0,0|2,0,0]=3 1432 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [0,1,0,0,0,0|2,0,0]=3 1433 B11R1.279 CCc1ccc(c(n1)O)C#N 271570a_203496583355_200009874664 [0,1,0,0,0,0|2,0,1]=4 1434 B11R1.279 CCc1ccc(cc1Cl)NC 2230a_100000766362_200000210301 [0,1,0,0,0,0|2,0,0]=3 1435 B11R1.279 CCc1ccc(cc1Cl)NC 34a_100000766362_200000210301 [0,1,0,0,0,0|2,0,0]=3 1436 B11R1.279 CCc1ccc(cc1Cl)NC 7a_100000766362_200000210301 [0,1,0,0,0,0|2,0,0]=3 1437 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 2230a_100000766362_200025704644 [0,1,0,0,0,0|2,0,0]=3 1438 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 34a_100000766362_200025704644 [0,1,0,0,0,0|2,0,0]=3 1439 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 7a_100000766362_200025704644 [0,1,0,0,0,0|2,0,0]=3 1440 B11R1.279 CCc1ccc(cc1Cl)OC 34a_100009886192_200000210301 [0,1,0,0,0,0|2,0,0]=3 1441 B11R1.279 CCc1ccc(cc1Cl)OC 7a_100009886192_200000210301 [0,1,0,0,0,0|2,0,0]=3 1442 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 34a_100009886192_200025704644 [0,1,0,0,0,0|2,0,0]=3 1443 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 7a_100009886192_200025704644 [0,1,0,0,0,0|2,0,0]=3 1444 B11R1.279 CCc1ccc(cc1F)SC 62a_200000210301_200010071577 [0,1,0,0,0,0|2,0,0]=3 1445 B11R1.279 CCc1ccc(cc1F)SC 62a_200010071577_200000210301 [0,1,0,0,0,0|2,0,0]=3 1446 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200010071577_200025704644 [0,1,0,0,0,0|2,0,0]=3 1447 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200025704644_200010071577 [0,1,0,0,0,0|2,0,0]=3 1448 B11R1.279 CCc1ccc(cc1N)SC 62a_100012354963_200000210301 [0,1,0,0,0,0|2,0,0]=3 1449 B11R1.279 CCc1ccc(cc1N)SC 62a_200000210301_100012354963 [0,1,0,0,0,0|2,0,0]=3 1450 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_100012354963_200025704644 [0,1,0,0,0,0|2,0,0]=3 1451 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_200025704644_100012354963 [0,1,0,0,0,0|2,0,0]=3 1452 B11R1.279 CNc1ccc(c(c1)Br)C#N 27a_100102657272_100012349582 [0,1,0,0,0,0|2,0,1]=4 1453 B11R1.279 CNc1ccc(c(c1)Br)C#N 34a_100000689153_200000210301 [0,1,0,0,0,0|2,0,1]=4 1454 B11R1.279 CNc1ccc(c(c1)Br)C#N 7a_100000689153_200000210301 [0,1,0,0,0,0|2,0,1]=4 1455 B11R1.279 CNc1ccc(c(c1)Br)OC 34a_100000187427_200000210301 [0,1,0,0,0,0|3,0,0]=4 1456 B11R1.279 CNc1ccc(c(c1)C)C#N 34a_100011999795_200000210301 [0,1,0,0,0,0|2,0,1]=4 1457 B11R1.279 CNc1ccc(c(c1)C)C#N 7a_100011999795_200000210301 [0,1,0,0,0,0|2,0,1]=4 1458 B11R1.279 CNc1ccc(c(c1)C)CO 34a_100000102464_200000210301 [0,1,0,0,0,0|1,0,2]=4 1459 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [0,1,0,0,0,0|3,0,0]=4 1460 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [0,1,0,0,0,0|3,0,0]=4 1461 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [0,1,0,0,0,0|3,0,0]=4 1462 B11R1.279 CNc1ccc(c(c1)C)SC 62a_100102888905_200000210301 [0,1,0,0,0,0|3,0,0]=4 1463 B11R1.279 CNc1ccc(c(c1)C)SC 62a_200000210301_100102888905 [0,1,0,0,0,0|3,0,0]=4 1464 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_100102888905_200025704644 [0,1,0,0,0,0|3,0,0]=4 1465 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100102888905 [0,1,0,0,0,0|3,0,0]=4 1466 B11R1.279 CNc1ccc(c(c1)Cl)C#N 34a_100000211542_200000210301 [0,1,0,0,0,0|2,0,1]=4 1467 B11R1.279 CNc1ccc(c(c1)Cl)C#N 7a_100000211542_200000210301 [0,1,0,0,0,0|2,0,1]=4 1468 B11R1.279 CNc1ccc(c(c1)Cl)CO 34a_100000689119_200000210301 [0,1,0,0,0,0|1,0,2]=4 1469 B11R1.279 CNc1ccc(c(c1)Cl)OC 2230a_100000211044_200000210301 [0,1,0,0,0,0|3,0,0]=4 1470 B11R1.279 CNc1ccc(c(c1)Cl)OC 34a_100000211044_200000210301 [0,1,0,0,0,0|3,0,0]=4 1471 B11R1.279 CNc1ccc(c(c1)F)C#N 27a_100102657272_100000037869 [0,1,0,0,0,0|2,0,1]=4 1472 B11R1.279 CNc1ccc(c(c1)F)C#N 34a_100000765089_200000210301 [0,1,0,0,0,0|2,0,1]=4 1473 B11R1.279 CNc1ccc(c(c1)F)C#N 7a_100000765089_200000210301 [0,1,0,0,0,0|2,0,1]=4 1474 B11R1.279 CNc1ccc(c(c1)F)OC 2230a_100000740183_200000210301 [0,1,0,0,0,0|3,0,0]=4 1475 B11R1.279 CNc1ccc(c(c1)F)OC 34a_100000740183_200000210301 [0,1,0,0,0,0|3,0,0]=4 1476 B11R1.279 CNc1ccc(c(c1)F)SC 2230a_100000762756_200000210301 [0,1,0,0,0,0|3,0,0]=4 1477 B11R1.279 CNc1ccc(c(c1)F)SC 34a_100000762756_200000210301 [0,1,0,0,0,0|3,0,0]=4 1478 B11R1.279 CNc1ccc(c(c1)F)SC 62a_100012285320_200000210301 [0,1,0,0,0,0|3,0,0]=4 1479 B11R1.279 CNc1ccc(c(c1)F)SC 62a_200000210301_100012285320 [0,1,0,0,0,0|3,0,0]=4 1480 B11R1.279 CNc1ccc(c(c1)F)S[13CH3] 62a_100012285320_200025704644 [0,1,0,0,0,0|3,0,0]=4 1481 B11R1.279 CNc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100012285320 [0,1,0,0,0,0|3,0,0]=4 1482 B11R1.279 CNc1ccc(c(c1)I)OC 34a_100011356947_200000210301 [0,1,0,0,0,0|3,0,0]=4 1483 B11R1.279 CNc1ccc(c(c1)O)C#N 34a_100000094571_200000210301 [0,1,0,0,0,0|2,0,1]=4 1484 B11R1.279 CNc1ccc(c(c1)O)C#N 7a_100000094571_200000210301 [0,1,0,0,0,0|2,0,1]=4 1485 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [0,1,0,0,0,0|3,0,0]=4 1486 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [0,1,0,0,0,0|3,0,0]=4 1487 B11R1.279 CNc1ccc(c(n1)F)C=O 27a_100102657272_100010064369 [0,1,0,0,0,0|2,0,0]=3 1488 B11R1.279 CNc1ccc(cc1Br)C#N 34a_100000736769_200000210301 [0,1,0,0,0,0|2,0,1]=4 1489 B11R1.279 CNc1ccc(cc1Br)C#N 7a_100000736769_200000210301 [0,1,0,0,0,0|2,0,1]=4 1490 B11R1.279 CNc1ccc(cc1Br)OC 34a_100015195136_200000210301 [0,1,0,0,0,0|3,0,0]=4 1491 B11R1.279 CNc1ccc(cc1C)C#N 34a_100011216260_200000210301 [0,1,0,0,0,0|2,0,1]=4 1492 B11R1.279 CNc1ccc(cc1C)C#N 7a_100011216260_200000210301 [0,1,0,0,0,0|2,0,1]=4 1493 B11R1.279 CNc1ccc(cc1C)CO 2230a_200011997030_200000210301 [0,1,0,0,0,0|1,0,2]=4 1494 B11R1.279 CNc1ccc(cc1C)CO 34a_200011997030_200000210301 [0,1,0,0,0,0|1,0,2]=4 1495 B11R1.279 CNc1ccc(cc1C)OC 34a_100000750285_200000210301 [0,1,0,0,0,0|3,0,0]=4 1496 B11R1.279 CNc1ccc(cc1C)OC 34a_100161107805_200000210301 [0,1,0,0,0,0|3,0,0]=4 1497 B11R1.279 CNc1ccc(cc1C)OC 7a_100161107805_200000210301 [0,1,0,0,0,0|3,0,0]=4 1498 B11R1.279 CNc1ccc(cc1C)O[13CH3] 34a_100161107805_200025704644 [0,1,0,0,0,0|3,0,0]=4 1499 B11R1.279 CNc1ccc(cc1C)O[13CH3] 7a_100161107805_200025704644 [0,1,0,0,0,0|3,0,0]=4 1500 B11R1.279 CNc1ccc(cc1C)SC 62a_100000221803_200000210301 [0,1,0,0,0,0|3,0,0]=4 1501 B11R1.279 CNc1ccc(cc1C)SC 62a_200000210301_100000221803 [0,1,0,0,0,0|3,0,0]=4 1502 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_100000221803_200025704644 [0,1,0,0,0,0|3,0,0]=4 1503 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_200025704644_100000221803 [0,1,0,0,0,0|3,0,0]=4 1504 B11R1.279 CNc1ccc(cc1Cl)C#N 34a_100000690208_200000210301 [0,1,0,0,0,0|2,0,1]=4 1505 B11R1.279 CNc1ccc(cc1Cl)C#N 7a_100000690208_200000210301 [0,1,0,0,0,0|2,0,1]=4 1506 B11R1.279 CNc1ccc(cc1Cl)OC 34a_100000747055_200000210301 [0,1,0,0,0,0|3,0,0]=4 1507 B11R1.279 CNc1ccc(cc1F)C#N 34a_100000760432_200000210301 [0,1,0,0,0,0|2,0,1]=4 1508 B11R1.279 CNc1ccc(cc1F)C#N 7a_100000760432_200000210301 [0,1,0,0,0,0|2,0,1]=4 1509 B11R1.279 CNc1ccc(cc1F)CO 2230a_100011217239_200000210301 [0,1,0,0,0,0|1,0,2]=4 1510 B11R1.279 CNc1ccc(cc1F)CO 34a_100011217239_200000210301 [0,1,0,0,0,0|1,0,2]=4 1511 B11R1.279 CNc1ccc(cc1F)OC 34a_100011299463_200000210301 [0,1,0,0,0,0|3,0,0]=4 1512 B11R1.279 CNc1ccc(cc1F)SC 34a_100012056844_200000210301 [0,1,0,0,0,0|3,0,0]=4 1513 B11R1.279 CNc1ccc(cc1F)SC 62a_100000743884_200000210301 [0,1,0,0,0,0|3,0,0]=4 1514 B11R1.279 CNc1ccc(cc1F)SC 62a_200000210301_100000743884 [0,1,0,0,0,0|3,0,0]=4 1515 B11R1.279 CNc1ccc(cc1F)S[13CH3] 62a_100000743884_200025704644 [0,1,0,0,0,0|3,0,0]=4 1516 B11R1.279 CNc1ccc(cc1F)S[13CH3] 62a_200025704644_100000743884 [0,1,0,0,0,0|3,0,0]=4 1517 B11R1.279 CNc1ccc(cc1I)C#N 7a_100000067503_200000210301 [0,1,0,0,0,0|2,0,1]=4 1518 B11R1.279 CNc1ccc(cc1I)OC 34a_100000049804_200000210301 [0,1,0,0,0,0|3,0,0]=4 1519 B11R1.279 CNc1ccc(cc1N)SC 62a_100000741790_200000210301 [0,1,0,0,0,0|3,0,0]=4 1520 B11R1.279 CNc1ccc(cc1N)S[13CH3] 62a_100000741790_200025704644 [0,1,0,0,0,0|3,0,0]=4 1521 B11R1.279 CNc1ccc(cc1O)C#N 271570a_203496583355_200020994358 [0,1,0,0,0,0|2,0,1]=4 1522 B11R1.279 CNc1ccc(cc1O)C#N 34a_100011997735_200000210301 [0,1,0,0,0,0|2,0,1]=4 1523 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [0,1,0,0,0,0|1,0,0]=2 1524 B11R1.279 CNc1ccc(cc1O)OC 34a_100016989039_200000210301 [0,1,0,0,0,0|3,0,0]=4 1525 B11R1.279 COc1ccc(c(c1)Br)C#N 34a_100012184851_200000210301 [0,1,0,0,0,0|2,0,1]=4 1526 B11R1.279 COc1ccc(c(c1)Br)C#N 7a_100012184851_200000210301 [0,1,0,0,0,0|2,0,1]=4 1527 B11R1.279 COc1ccc(c(c1)Br)CO 34a_100010146404_200000210301 [0,1,0,0,0,0|1,0,2]=4 1528 B11R1.279 COc1ccc(c(c1)Br)CO 7a_100010146404_200000210301 [0,1,0,0,0,0|1,0,2]=4 1529 B11R1.279 COc1ccc(c(c1)Br)N[13CH3] 34a_100015195136_200025704644 [0,1,0,0,0,0|3,0,0]=4 1530 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100000685887_200000210301 [0,1,0,0,0,0|3,0,0]=4 1531 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100010234764_200000210301 [0,1,0,0,0,0|3,0,0]=4 1532 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100000685887_200000210301 [0,1,0,0,0,0|3,0,0]=4 1533 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100010234764_200000210301 [0,1,0,0,0,0|3,0,0]=4 1534 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 34a_100000685887_200025704644 [0,1,0,0,0,0|3,0,0]=4 1535 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 7a_100000685887_200025704644 [0,1,0,0,0,0|3,0,0]=4 1536 B11R1.279 COc1ccc(c(c1)Br)SC 62a_100012349170_200000210301 [0,1,0,0,0,0|3,0,0]=4 1537 B11R1.279 COc1ccc(c(c1)Br)SC 62a_200000210301_100012349170 [0,1,0,0,0,0|3,0,0]=4 1538 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_100012349170_200025704644 [0,1,0,0,0,0|3,0,0]=4 1539 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100012349170 [0,1,0,0,0,0|3,0,0]=4 1540 B11R1.279 COc1ccc(c(c1)C)C#N 34a_100000720286_200000210301 [0,1,0,0,0,0|2,0,1]=4 1541 B11R1.279 COc1ccc(c(c1)C)C#N 7a_100000720286_200000210301 [0,1,0,0,0,0|2,0,1]=4 1542 B11R1.279 COc1ccc(c(c1)C)N[13CH3] 34a_100000750285_200025704644 [0,1,0,0,0,0|3,0,0]=4 1543 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [0,1,0,0,0,0|3,0,0]=4 1544 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [0,1,0,0,0,0|3,0,0]=4 1545 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [0,1,0,0,0,0|3,0,0]=4 1546 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [0,1,0,0,0,0|3,0,0]=4 1547 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [0,1,0,0,0,0|3,0,0]=4 1548 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [0,1,0,0,0,0|3,0,0]=4 1549 B11R1.279 COc1ccc(c(c1)C)SC 34a_100000030144_200000210301 [0,1,0,0,0,0|3,0,0]=4 1550 B11R1.279 COc1ccc(c(c1)C)SC 62a_100000759875_200000210301 [0,1,0,0,0,0|3,0,0]=4 1551 B11R1.279 COc1ccc(c(c1)C)SC 62a_200000210301_100000759875 [0,1,0,0,0,0|3,0,0]=4 1552 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_100000759875_200025704644 [0,1,0,0,0,0|3,0,0]=4 1553 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000759875 [0,1,0,0,0,0|3,0,0]=4 1554 B11R1.279 COc1ccc(c(c1)Cl)C#N 34a_100000716493_200000210301 [0,1,0,0,0,0|2,0,1]=4 1555 B11R1.279 COc1ccc(c(c1)Cl)C#N 7a_100000716493_200000210301 [0,1,0,0,0,0|2,0,1]=4 1556 B11R1.279 COc1ccc(c(c1)Cl)CN 34a_200161156549_200000210301 [0,1,0,0,0,0|2,0,1]=4 1557 B11R1.279 COc1ccc(c(c1)Cl)CO 34a_200000075811_200000210301 [0,1,0,0,0,0|1,0,2]=4 1558 B11R1.279 COc1ccc(c(c1)Cl)CO 7a_200000075811_200000210301 [0,1,0,0,0,0|1,0,2]=4 1559 B11R1.279 COc1ccc(c(c1)Cl)N[13CH3] 34a_100000747055_200025704644 [0,1,0,0,0,0|3,0,0]=4 1560 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_100000038596_200000210301 [0,1,0,0,0,0|3,0,0]=4 1561 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_200009861682_200000210301 [0,1,0,0,0,0|3,0,0]=4 1562 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_100000038596_200000210301 [0,1,0,0,0,0|3,0,0]=4 1563 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_200009861682_200000210301 [0,1,0,0,0,0|3,0,0]=4 1564 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 34a_100000038596_200025704644 [0,1,0,0,0,0|3,0,0]=4 1565 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 7a_100000038596_200025704644 [0,1,0,0,0,0|3,0,0]=4 1566 B11R1.279 COc1ccc(c(c1)F)C#N 34a_100000753931_200000210301 [0,1,0,0,0,0|2,0,1]=4 1567 B11R1.279 COc1ccc(c(c1)F)C#N 7a_100000753931_200000210301 [0,1,0,0,0,0|2,0,1]=4 1568 B11R1.279 COc1ccc(c(c1)F)CO 34a_100000084598_200000210301 [0,1,0,0,0,0|1,0,2]=4 1569 B11R1.279 COc1ccc(c(c1)F)CO 7a_100000084598_200000210301 [0,1,0,0,0,0|1,0,2]=4 1570 B11R1.279 COc1ccc(c(c1)F)N[13CH3] 34a_100011299463_200025704644 [0,1,0,0,0,0|3,0,0]=4 1571 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000036999_200000210301 [0,1,0,0,0,0|3,0,0]=4 1572 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000746305_200000210301 [0,1,0,0,0,0|3,0,0]=4 1573 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000036999_200000210301 [0,1,0,0,0,0|3,0,0]=4 1574 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000746305_200000210301 [0,1,0,0,0,0|3,0,0]=4 1575 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 34a_100000036999_200025704644 [0,1,0,0,0,0|3,0,0]=4 1576 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 7a_100000036999_200025704644 [0,1,0,0,0,0|3,0,0]=4 1577 B11R1.279 COc1ccc(c(c1)F)SC 62a_100000753793_200000210301 [0,1,0,0,0,0|3,0,0]=4 1578 B11R1.279 COc1ccc(c(c1)F)SC 62a_200000210301_100000753793 [0,1,0,0,0,0|3,0,0]=4 1579 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_100000753793_200025704644 [0,1,0,0,0,0|3,0,0]=4 1580 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000753793 [0,1,0,0,0,0|3,0,0]=4 1581 B11R1.279 COc1ccc(c(c1)I)N[13CH3] 34a_100000049804_200025704644 [0,1,0,0,0,0|3,0,0]=4 1582 B11R1.279 COc1ccc(c(c1)I)OC 34a_100010084122_200000210301 [0,1,0,0,0,0|3,0,0]=4 1583 B11R1.279 COc1ccc(c(c1)I)OC 7a_100010084122_200000210301 [0,1,0,0,0,0|3,0,0]=4 1584 B11R1.279 COc1ccc(c(c1)N)OC 34a_100000188146_200000210301 [0,1,0,0,0,0|3,0,0]=4 1585 B11R1.279 COc1ccc(c(c1)N)O[13CH3] 34a_100000188146_200025704644 [0,1,0,0,0,0|3,0,0]=4 1586 B11R1.279 COc1ccc(c(c1)N)SC 62a_100000748021_200000210301 [0,1,0,0,0,0|3,0,0]=4 1587 B11R1.279 COc1ccc(c(c1)N)SC 62a_200000210301_100000748021 [0,1,0,0,0,0|3,0,0]=4 1588 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_100000748021_200025704644 [0,1,0,0,0,0|3,0,0]=4 1589 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100000748021 [0,1,0,0,0,0|3,0,0]=4 1590 B11R1.279 COc1ccc(c(c1)O)C#N 271570a_203496583355_100012355471 [0,1,0,0,0,0|2,0,1]=4 1591 B11R1.279 COc1ccc(c(c1)O)C=O 271570a_203496583355_100000723261 [0,1,0,0,0,0|1,0,0]=2 1592 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [0,1,0,0,0,0|1,0,2]=4 1593 B11R1.279 COc1ccc(c(c1)O)N[13CH3] 34a_100016989039_200025704644 [0,1,0,0,0,0|3,0,0]=4 1594 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [0,1,0,0,0,0|3,0,0]=4 1595 B11R1.279 COc1ccc(c(c1)O)SC 62a_200000210301_100000719091 [0,1,0,0,0,0|3,0,0]=4 1596 B11R1.279 COc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100000719091 [0,1,0,0,0,0|3,0,0]=4 1597 B11R1.279 COc1ccc(c(n1)O)C=O 271570a_203496583355_100012351648 [0,1,0,0,0,0|2,0,0]=3 1598 B11R1.279 COc1ccc(cc1Br)C#N 34a_100011216086_200000210301 [0,1,0,0,0,0|2,0,1]=4 1599 B11R1.279 COc1ccc(cc1Br)C#N 7a_100011216086_200000210301 [0,1,0,0,0,0|2,0,1]=4 1600 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [0,1,0,0,0,0|1,0,2]=4 1601 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [0,1,0,0,0,0|1,0,2]=4 1602 B11R1.279 COc1ccc(cc1Br)N[13CH3] 34a_100000187427_200025704644 [0,1,0,0,0,0|3,0,0]=4 1603 B11R1.279 COc1ccc(cc1Br)O[13CH3] 34a_100010234764_200025704644 [0,1,0,0,0,0|3,0,0]=4 1604 B11R1.279 COc1ccc(cc1Br)O[13CH3] 7a_100010234764_200025704644 [0,1,0,0,0,0|3,0,0]=4 1605 B11R1.279 COc1ccc(cc1Br)SC 62a_100011249507_200000210301 [0,1,0,0,0,0|3,0,0]=4 1606 B11R1.279 COc1ccc(cc1Br)SC 62a_200000210301_100011249507 [0,1,0,0,0,0|3,0,0]=4 1607 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_100011249507_200025704644 [0,1,0,0,0,0|3,0,0]=4 1608 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011249507 [0,1,0,0,0,0|3,0,0]=4 1609 B11R1.279 COc1ccc(cc1C)C#N 34a_100000749339_200000210301 [0,1,0,0,0,0|2,0,1]=4 1610 B11R1.279 COc1ccc(cc1C)C#N 7a_100000749339_200000210301 [0,1,0,0,0,0|2,0,1]=4 1611 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [0,1,0,0,0,0|1,0,2]=4 1612 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [0,1,0,0,0,0|1,0,2]=4 1613 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [0,1,0,0,0,0|3,0,0]=4 1614 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [0,1,0,0,0,0|3,0,0]=4 1615 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [0,1,0,0,0,0|3,0,0]=4 1616 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [0,1,0,0,0,0|3,0,0]=4 1617 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [0,1,0,0,0,0|3,0,0]=4 1618 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [0,1,0,0,0,0|3,0,0]=4 1619 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [0,1,0,0,0,0|3,0,0]=4 1620 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [0,1,0,0,0,0|3,0,0]=4 1621 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [0,1,0,0,0,0|3,0,0]=4 1622 B11R1.279 COc1ccc(cc1Cl)C#N 34a_100000205955_200000210301 [0,1,0,0,0,0|2,0,1]=4 1623 B11R1.279 COc1ccc(cc1Cl)C#N 7a_100000205955_200000210301 [0,1,0,0,0,0|2,0,1]=4 1624 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 2230a_100000211044_200025704644 [0,1,0,0,0,0|3,0,0]=4 1625 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 34a_100000211044_200025704644 [0,1,0,0,0,0|3,0,0]=4 1626 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 34a_200009861682_200025704644 [0,1,0,0,0,0|3,0,0]=4 1627 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 7a_200009861682_200025704644 [0,1,0,0,0,0|3,0,0]=4 1628 B11R1.279 COc1ccc(cc1Cl)SC 62a_100012355395_200000210301 [0,1,0,0,0,0|3,0,0]=4 1629 B11R1.279 COc1ccc(cc1Cl)SC 62a_200000210301_100012355395 [0,1,0,0,0,0|3,0,0]=4 1630 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_100012355395_200025704644 [0,1,0,0,0,0|3,0,0]=4 1631 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100012355395 [0,1,0,0,0,0|3,0,0]=4 1632 B11R1.279 COc1ccc(cc1F)C#N 34a_100000751310_200000210301 [0,1,0,0,0,0|2,0,1]=4 1633 B11R1.279 COc1ccc(cc1F)C#N 7a_100000751310_200000210301 [0,1,0,0,0,0|2,0,1]=4 1634 B11R1.279 COc1ccc(cc1F)CN 34a_100000758358_200000210301 [0,1,0,0,0,0|2,0,1]=4 1635 B11R1.279 COc1ccc(cc1F)N[13CH3] 2230a_100000740183_200025704644 [0,1,0,0,0,0|3,0,0]=4 1636 B11R1.279 COc1ccc(cc1F)N[13CH3] 34a_100000740183_200025704644 [0,1,0,0,0,0|3,0,0]=4 1637 B11R1.279 COc1ccc(cc1F)O[13CH3] 34a_100000746305_200025704644 [0,1,0,0,0,0|3,0,0]=4 1638 B11R1.279 COc1ccc(cc1F)O[13CH3] 7a_100000746305_200025704644 [0,1,0,0,0,0|3,0,0]=4 1639 B11R1.279 COc1ccc(cc1F)SC 62a_100000171752_200000210301 [0,1,0,0,0,0|3,0,0]=4 1640 B11R1.279 COc1ccc(cc1F)SC 62a_200000210301_100000171752 [0,1,0,0,0,0|3,0,0]=4 1641 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_100000171752_200025704644 [0,1,0,0,0,0|3,0,0]=4 1642 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_200025704644_100000171752 [0,1,0,0,0,0|3,0,0]=4 1643 B11R1.279 COc1ccc(cc1I)C#N 34a_100000725478_200000210301 [0,1,0,0,0,0|2,0,1]=4 1644 B11R1.279 COc1ccc(cc1I)C#N 7a_100000725478_200000210301 [0,1,0,0,0,0|2,0,1]=4 1645 B11R1.279 COc1ccc(cc1I)N[13CH3] 34a_100011356947_200025704644 [0,1,0,0,0,0|3,0,0]=4 1646 B11R1.279 COc1ccc(cc1I)O[13CH3] 34a_100010084122_200025704644 [0,1,0,0,0,0|3,0,0]=4 1647 B11R1.279 COc1ccc(cc1I)O[13CH3] 7a_100010084122_200025704644 [0,1,0,0,0,0|3,0,0]=4 1648 B11R1.279 COc1ccc(cc1N)C#N 34a_100000766272_200000210301 [0,1,0,0,0,0|2,0,1]=4 1649 B11R1.279 COc1ccc(cc1N)C#N 7a_100000766272_200000210301 [0,1,0,0,0,0|2,0,1]=4 1650 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [0,1,0,0,0,0|1,0,2]=4 1651 B11R1.279 COc1ccc(cc1N)SC 62a_100011249504_200000210301 [0,1,0,0,0,0|3,0,0]=4 1652 B11R1.279 COc1ccc(cc1N)SC 62a_200000210301_100011249504 [0,1,0,0,0,0|3,0,0]=4 1653 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_100011249504_200025704644 [0,1,0,0,0,0|3,0,0]=4 1654 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_200025704644_100011249504 [0,1,0,0,0,0|3,0,0]=4 1655 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [0,1,0,0,0,0|2,0,1]=4 1656 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [0,1,0,0,0,0|1,0,0]=2 1657 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [0,1,0,0,0,0|2,0,1]=4 1658 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [0,1,0,0,0,0|1,0,2]=4 1659 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [0,1,0,0,0,0|3,0,0]=4 1660 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [0,1,0,0,0,0|3,0,0]=4 1661 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [0,1,0,0,0,0|3,0,0]=4 1662 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [0,1,0,0,0,0|2,0,0]=3 1663 B11R1.279 COc1cnc(c(c1)O)C=O 271570a_203496583355_200010135874 [0,1,0,0,0,0|2,0,0]=3 1664 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [0,1,0,0,0,0|2,0,0]=3 1665 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [0,1,0,0,0,0|2,0,0]=3 1666 B11R1.279 CSc1cc(c(cn1)C=O)C 62a_100000085382_200000210301 [0,1,0,0,0,0|2,0,0]=3 1667 B11R1.279 CSc1cc(c(cn1)C=O)C 62a_200000210301_100000085382 [0,1,0,0,0,0|2,0,0]=3 1668 B11R1.279 CSc1cc(c(cn1)C=O)N 62a_100000050503_200000210301 [0,1,0,0,0,0|2,0,0]=3 1669 B11R1.279 CSc1cc(c(cn1)C=O)N 62a_200000210301_100000050503 [0,1,0,0,0,0|2,0,0]=3 1670 B11R1.279 CSc1ccc(c(c1)Br)C#N 62a_100012349582_200000210301 [0,1,0,0,0,0|2,0,1]=4 1671 B11R1.279 CSc1ccc(c(c1)Br)C#N 62a_200000210301_100012349582 [0,1,0,0,0,0|2,0,1]=4 1672 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_100010185650_200000210301 [0,1,0,0,0,0|1,0,0]=2 1673 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_200000210301_100010185650 [0,1,0,0,0,0|1,0,0]=2 1674 B11R1.279 CSc1ccc(c(c1)Br)CO 62a_100010240206_200000210301 [0,1,0,0,0,0|1,0,2]=4 1675 B11R1.279 CSc1ccc(c(c1)Br)CO 62a_200000210301_100010240206 [0,1,0,0,0,0|1,0,2]=4 1676 B11R1.279 CSc1ccc(c(c1)C)C#N 62a_200000210301_100000687762 [0,1,0,0,0,0|2,0,1]=4 1677 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_100000766358_200000210301 [0,1,0,0,0,0|1,0,0]=2 1678 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_200000210301_100000766358 [0,1,0,0,0,0|1,0,0]=2 1679 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200000210301_200010711859 [0,1,0,0,0,0|2,0,1]=4 1680 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200010711859_200000210301 [0,1,0,0,0,0|2,0,1]=4 1681 B11R1.279 CSc1ccc(c(c1)C)CN 62a_100000753881_200000210301 [0,1,0,0,0,0|2,0,1]=4 1682 B11R1.279 CSc1ccc(c(c1)C)CN 62a_200000210301_100000753881 [0,1,0,0,0,0|2,0,1]=4 1683 B11R1.279 CSc1ccc(c(c1)C)CO 62a_100000748258_200000210301 [0,1,0,0,0,0|1,0,2]=4 1684 B11R1.279 CSc1ccc(c(c1)C)CO 62a_200000210301_100000748258 [0,1,0,0,0,0|1,0,2]=4 1685 B11R1.279 CSc1ccc(c(c1)C)NN 62a_100000751375_200000210301 [0,1,0,0,0,0|3,0,0]=4 1686 B11R1.279 CSc1ccc(c(c1)C)NN 62a_200000210301_100000751375 [0,1,0,0,0,0|3,0,0]=4 1687 B11R1.279 CSc1ccc(c(c1)Cl)C#N 62a_200000210301_100012349662 [0,1,0,0,0,0|2,0,1]=4 1688 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_100000727542_200000210301 [0,1,0,0,0,0|1,0,0]=2 1689 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_200000210301_100000727542 [0,1,0,0,0,0|1,0,0]=2 1690 B11R1.279 CSc1ccc(c(c1)Cl)SC 62a_200000210301_206447510565 [0,1,0,0,0,0|3,0,0]=4 1691 B11R1.279 CSc1ccc(c(c1)Cl)SC 62a_206447510565_200000210301 [0,1,0,0,0,0|3,0,0]=4 1692 B11R1.279 CSc1ccc(c(c1)F)C#N 62a_200000210301_100000037869 [0,1,0,0,0,0|2,0,1]=4 1693 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_100000211676_200000210301 [0,1,0,0,0,0|1,0,0]=2 1694 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_200000210301_100000211676 [0,1,0,0,0,0|1,0,0]=2 1695 B11R1.279 CSc1ccc(c(c1)F)CN 62a_100000754580_200000210301 [0,1,0,0,0,0|2,0,1]=4 1696 B11R1.279 CSc1ccc(c(c1)F)CN 62a_200000210301_100000754580 [0,1,0,0,0,0|2,0,1]=4 1697 B11R1.279 CSc1ccc(c(c1)F)CO 62a_100011191541_200000210301 [0,1,0,0,0,0|1,0,2]=4 1698 B11R1.279 CSc1ccc(c(c1)F)CO 62a_200000210301_100011191541 [0,1,0,0,0,0|1,0,2]=4 1699 B11R1.279 CSc1ccc(c(c1)F)NN 62a_100000751572_200000210301 [0,1,0,0,0,0|3,0,0]=4 1700 B11R1.279 CSc1ccc(c(c1)F)NN 62a_200000210301_100000751572 [0,1,0,0,0,0|3,0,0]=4 1701 B11R1.279 CSc1ccc(c(c1)F)N[13CH3] 34a_100012056844_200025704644 [0,1,0,0,0,0|3,0,0]=4 1702 B11R1.279 CSc1ccc(c(c1)F)SC 62a_100009816902_200000210301 [0,1,0,0,0,0|3,0,0]=4 1703 B11R1.279 CSc1ccc(c(c1)F)SC 62a_100010161220_200000210301 [0,1,0,0,0,0|3,0,0]=4 1704 B11R1.279 CSc1ccc(c(c1)F)SC 62a_200000210301_100009816902 [0,1,0,0,0,0|3,0,0]=4 1705 B11R1.279 CSc1ccc(c(c1)F)SC 62a_200000210301_100010161220 [0,1,0,0,0,0|3,0,0]=4 1706 B11R1.279 CSc1ccc(c(c1)F)S[13CH3] 62a_100009816902_200025704644 [0,1,0,0,0,0|3,0,0]=4 1707 B11R1.279 CSc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100009816902 [0,1,0,0,0,0|3,0,0]=4 1708 B11R1.279 CSc1ccc(c(c1)N)C#N 62a_200000210301_100000699244 [0,1,0,0,0,0|2,0,1]=4 1709 B11R1.279 CSc1ccc(c(c1)N)C=O 62a_100009814810_200000210301 [0,1,0,0,0,0|1,0,0]=2 1710 B11R1.279 CSc1ccc(c(c1)N)CO 62a_100000718831_200000210301 [0,1,0,0,0,0|1,0,2]=4 1711 B11R1.279 CSc1ccc(c(c1)N)CO 62a_200000210301_100000718831 [0,1,0,0,0,0|1,0,2]=4 1712 B11R1.279 CSc1ccc(c(c1)O)C#N 62a_200000210301_100011934713 [0,1,0,0,0,0|2,0,1]=4 1713 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_100011277552_200000210301 [0,1,0,0,0,0|1,0,0]=2 1714 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_200000210301_100011277552 [0,1,0,0,0,0|1,0,0]=2 1715 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [0,1,0,0,0,0|1,0,2]=4 1716 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [0,1,0,0,0,0|1,0,2]=4 1717 B11R1.279 CSc1ccc(c(n1)C)C=O 62a_100000050599_200000210301 [0,1,0,0,0,0|2,0,0]=3 1718 B11R1.279 CSc1ccc(c(n1)C)C=O 62a_200000210301_100000050599 [0,1,0,0,0,0|2,0,0]=3 1719 B11R1.279 CSc1ccc(c(n1)F)C=O 62a_100010064369_200000210301 [0,1,0,0,0,0|2,0,0]=3 1720 B11R1.279 CSc1ccc(c(n1)F)C=O 62a_200000210301_100010064369 [0,1,0,0,0,0|2,0,0]=3 1721 B11R1.279 CSc1ccc(cc1Br)C#N 62a_200000210301_100012356348 [0,1,0,0,0,0|2,0,1]=4 1722 B11R1.279 CSc1ccc(cc1C)C#N 62a_200000210301_100000212329 [0,1,0,0,0,0|2,0,1]=4 1723 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [0,1,0,0,0,0|1,0,0]=2 1724 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [0,1,0,0,0,0|1,0,0]=2 1725 B11R1.279 CSc1ccc(cc1C)CN 62a_100015205234_200000210301 [0,1,0,0,0,0|2,0,1]=4 1726 B11R1.279 CSc1ccc(cc1C)CN 62a_200000210301_100015205234 [0,1,0,0,0,0|2,0,1]=4 1727 B11R1.279 CSc1ccc(cc1C)CO 62a_100000718852_200000210301 [0,1,0,0,0,0|1,0,2]=4 1728 B11R1.279 CSc1ccc(cc1C)CO 62a_200000210301_100000718852 [0,1,0,0,0,0|1,0,2]=4 1729 B11R1.279 CSc1ccc(cc1C)NN 62a_100000745493_200000210301 [0,1,0,0,0,0|3,0,0]=4 1730 B11R1.279 CSc1ccc(cc1C)NN 62a_200000210301_100000745493 [0,1,0,0,0,0|3,0,0]=4 1731 B11R1.279 CSc1ccc(cc1C)O[13CH3] 34a_100000030144_200025704644 [0,1,0,0,0,0|3,0,0]=4 1732 B11R1.279 CSc1ccc(cc1Cl)C#N 62a_200000210301_100012349663 [0,1,0,0,0,0|2,0,1]=4 1733 B11R1.279 CSc1ccc(cc1Cl)CO 62a_100000718186_200000210301 [0,1,0,0,0,0|1,0,2]=4 1734 B11R1.279 CSc1ccc(cc1Cl)CO 62a_200000210301_100000718186 [0,1,0,0,0,0|1,0,2]=4 1735 B11R1.279 CSc1ccc(cc1Cl)S[13CH3] 62a_200025704644_206447510565 [0,1,0,0,0,0|3,0,0]=4 1736 B11R1.279 CSc1ccc(cc1Cl)S[13CH3] 62a_206447510565_200025704644 [0,1,0,0,0,0|3,0,0]=4 1737 B11R1.279 CSc1ccc(cc1F)C#N 62a_200000210301_100000050172 [0,1,0,0,0,0|2,0,1]=4 1738 B11R1.279 CSc1ccc(cc1F)C=O 62a_100000686674_200000210301 [0,1,0,0,0,0|1,0,0]=2 1739 B11R1.279 CSc1ccc(cc1F)C=O 62a_200000210301_100000686674 [0,1,0,0,0,0|1,0,0]=2 1740 B11R1.279 CSc1ccc(cc1F)CN 62a_100000755036_200000210301 [0,1,0,0,0,0|2,0,1]=4 1741 B11R1.279 CSc1ccc(cc1F)CN 62a_200000210301_100000755036 [0,1,0,0,0,0|2,0,1]=4 1742 B11R1.279 CSc1ccc(cc1F)CO 62a_100011533735_200000210301 [0,1,0,0,0,0|1,0,2]=4 1743 B11R1.279 CSc1ccc(cc1F)CO 62a_200000210301_100011533735 [0,1,0,0,0,0|1,0,2]=4 1744 B11R1.279 CSc1ccc(cc1F)NN 62a_100016992936_200000210301 [0,1,0,0,0,0|3,0,0]=4 1745 B11R1.279 CSc1ccc(cc1F)NN 62a_200000210301_100016992936 [0,1,0,0,0,0|3,0,0]=4 1746 B11R1.279 CSc1ccc(cc1F)N[13CH3] 2230a_100000762756_200025704644 [0,1,0,0,0,0|3,0,0]=4 1747 B11R1.279 CSc1ccc(cc1F)N[13CH3] 34a_100000762756_200025704644 [0,1,0,0,0,0|3,0,0]=4 1748 B11R1.279 CSc1ccc(cc1F)S[13CH3] 62a_100010161220_200025704644 [0,1,0,0,0,0|3,0,0]=4 1749 B11R1.279 CSc1ccc(cc1F)S[13CH3] 62a_200025704644_100010161220 [0,1,0,0,0,0|3,0,0]=4 1750 B11R1.279 CSc1ccc(cc1N)C#N 62a_200000210301_100012001879 [0,1,0,0,0,0|2,0,1]=4 1751 B11R1.279 CSc1ccc(cc1N)CO 62a_100012347568_200000210301 [0,1,0,0,0,0|1,0,2]=4 1752 B11R1.279 CSc1ccc(cc1N)CO 62a_200000210301_100012347568 [0,1,0,0,0,0|1,0,2]=4 1753 B11R1.279 CSc1ccc(cc1O)C#N 62a_200000210301_100009877741 [0,1,0,0,0,0|2,0,1]=4 1754 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [0,1,0,0,0,0|1,0,0]=2 1755 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [0,1,0,0,0,0|1,0,0]=2 1756 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [0,1,0,0,0,0|1,0,2]=4 1757 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [0,1,0,0,0,0|1,0,2]=4 1758 B11R1.279 CSc1ccc(nc1C)C=O 62a_100010238520_200000210301 [0,1,0,0,0,0|2,0,0]=3 1759 B11R1.279 CSc1ccc(nc1C)C=O 62a_200000210301_100010238520 [0,1,0,0,0,0|2,0,0]=3 1760 B11R1.279 CSc1cnc(c(c1)C)C=O 62a_100010185443_200000210301 [0,1,0,0,0,0|2,0,0]=3 1761 B11R1.279 CSc1cnc(c(c1)C)C=O 62a_200000210301_100010185443 [0,1,0,0,0,0|2,0,0]=3 1762 B11R1.279 CSc1cnc(c(c1)F)C=O 62a_100010180630_200000210301 [0,1,0,0,0,0|2,0,0]=3 1763 B11R1.279 CSc1cnc(c(c1)F)C=O 62a_200000210301_100010180630 [0,1,0,0,0,0|2,0,0]=3 1764 B11R1.279 CSc1cnc(cc1C)C=O 62a_100009814806_200000210301 [0,1,0,0,0,0|2,0,0]=3 1765 B11R1.279 CSc1cnc(cc1C)C=O 62a_200000210301_100009814806 [0,1,0,0,0,0|2,0,0]=3 1766 B11R1.279 CSc1ncc(c(n1)N)C=O 62a_100010726233_200000210301 [0,1,0,0,0,0|3,0,0]=4 1767 B11R1.279 CSc1ncc(c(n1)N)C=O 62a_200000210301_100010726233 [0,1,0,0,0,0|3,0,0]=4 1768 B11R1.279 CSc1ncc(c(n1)O)C=O 271570a_203496583355_100009862043 [0,1,0,0,0,0|3,0,0]=4 1769 B11R1.279 CSc1ncc(cc1C)C=O 62a_100000070293_200000210301 [0,1,0,0,0,0|2,0,0]=3 1770 B11R1.279 CSc1ncc(cc1C)C=O 62a_200000210301_100000070293 [0,1,0,0,0,0|2,0,0]=3 1771 B11R1.279 CSc1ncc(cc1F)C=O 62a_100009866847_200000210301 [0,1,0,0,0,0|2,0,0]=3 1772 B11R1.279 CSc1ncc(cc1F)C=O 62a_200000210301_100009866847 [0,1,0,0,0,0|2,0,0]=3 1773 B11R1.279 Cc1cc(ccc1C#N)N[13CH3] 34a_100011999795_200025704644 [0,1,0,0,0,0|2,0,1]=4 1774 B11R1.279 Cc1cc(ccc1C#N)N[13CH3] 7a_100011999795_200025704644 [0,1,0,0,0,0|2,0,1]=4 1775 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 34a_100000720286_200025704644 [0,1,0,0,0,0|2,0,1]=4 1776 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 7a_100000720286_200025704644 [0,1,0,0,0,0|2,0,1]=4 1777 B11R1.279 Cc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100000687762 [0,1,0,0,0,0|2,0,1]=4 1778 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_100000766358_200025704644 [0,1,0,0,0,0|1,0,0]=2 1779 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100000766358 [0,1,0,0,0,0|1,0,0]=2 1780 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200010711859_200025704644 [0,1,0,0,0,0|2,0,1]=4 1781 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200025704644_200010711859 [0,1,0,0,0,0|2,0,1]=4 1782 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_100000753881_200025704644 [0,1,0,0,0,0|2,0,1]=4 1783 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_200025704644_100000753881 [0,1,0,0,0,0|2,0,1]=4 1784 B11R1.279 Cc1cc(ccc1CO)N[13CH3] 34a_100000102464_200025704644 [0,1,0,0,0,0|1,0,2]=4 1785 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_100000748258_200025704644 [0,1,0,0,0,0|1,0,2]=4 1786 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_200025704644_100000748258 [0,1,0,0,0,0|1,0,2]=4 1787 B11R1.279 Cc1cc(ccc1NN)S[13CH3] 62a_100000751375_200025704644 [0,1,0,0,0,0|3,0,0]=4 1788 B11R1.279 Cc1cc(ccc1NN)S[13CH3] 62a_200025704644_100000751375 [0,1,0,0,0,0|3,0,0]=4 1789 B11R1.279 Cc1cc(ccc1N[13CH3])C#N 34a_100011216260_200025704644 [0,1,0,0,0,0|2,0,1]=4 1790 B11R1.279 Cc1cc(ccc1N[13CH3])C#N 7a_100011216260_200025704644 [0,1,0,0,0,0|2,0,1]=4 1791 B11R1.279 Cc1cc(ccc1N[13CH3])CO 2230a_200011997030_200025704644 [0,1,0,0,0,0|1,0,2]=4 1792 B11R1.279 Cc1cc(ccc1N[13CH3])CO 34a_200011997030_200025704644 [0,1,0,0,0,0|1,0,2]=4 1793 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 34a_100000749339_200025704644 [0,1,0,0,0,0|2,0,1]=4 1794 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 7a_100000749339_200025704644 [0,1,0,0,0,0|2,0,1]=4 1795 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [0,1,0,0,0,0|1,0,2]=4 1796 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [0,1,0,0,0,0|1,0,2]=4 1797 B11R1.279 Cc1cc(ccc1S[13CH3])C#N 62a_200025704644_100000212329 [0,1,0,0,0,0|2,0,1]=4 1798 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [0,1,0,0,0,0|1,0,0]=2 1799 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [0,1,0,0,0,0|1,0,0]=2 1800 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_100015205234_200025704644 [0,1,0,0,0,0|2,0,1]=4 1801 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_200025704644_100015205234 [0,1,0,0,0,0|2,0,1]=4 1802 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_100000718852_200025704644 [0,1,0,0,0,0|1,0,2]=4 1803 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_200025704644_100000718852 [0,1,0,0,0,0|1,0,2]=4 1804 B11R1.279 Cc1cc(ccc1S[13CH3])NN 62a_100000745493_200025704644 [0,1,0,0,0,0|3,0,0]=4 1805 B11R1.279 Cc1cc(ccc1S[13CH3])NN 62a_200025704644_100000745493 [0,1,0,0,0,0|3,0,0]=4 1806 B11R1.279 Cc1cc(cnc1C=O)S[13CH3] 62a_100010185443_200025704644 [0,1,0,0,0,0|2,0,0]=3 1807 B11R1.279 Cc1cc(cnc1C=O)S[13CH3] 62a_200025704644_100010185443 [0,1,0,0,0,0|2,0,0]=3 1808 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_100000070293_200025704644 [0,1,0,0,0,0|2,0,0]=3 1809 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_200025704644_100000070293 [0,1,0,0,0,0|2,0,0]=3 1810 B11R1.279 Cc1cc(ncc1C=O)S[13CH3] 62a_100000085382_200025704644 [0,1,0,0,0,0|2,0,0]=3 1811 B11R1.279 Cc1cc(ncc1C=O)S[13CH3] 62a_200025704644_100000085382 [0,1,0,0,0,0|2,0,0]=3 1812 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_100009814806_200025704644 [0,1,0,0,0,0|2,0,0]=3 1813 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_200025704644_100009814806 [0,1,0,0,0,0|2,0,0]=3 1814 B11R1.279 Cc1nc(ccc1C=O)S[13CH3] 62a_100000050599_200025704644 [0,1,0,0,0,0|2,0,0]=3 1815 B11R1.279 Cc1nc(ccc1C=O)S[13CH3] 62a_200025704644_100000050599 [0,1,0,0,0,0|2,0,0]=3 1816 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_100010238520_200025704644 [0,1,0,0,0,0|2,0,0]=3 1817 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_200025704644_100010238520 [0,1,0,0,0,0|2,0,0]=3 1818 B11R1.279 N#Cc1ccc(c(c1)O)C=O 271570a_203496583355_100012355658 [0,1,0,0,0,0|1,0,1]=3 1819 B11R1.279 N#Cc1ccc(c(c1)O)CN 271570a_203496583355_114948178924 [0,1,0,0,0,0|2,0,1]=4 1820 B11R1.279 N#Cc1ccc(c(c1)O)CO 271570a_203496583355_100010214422 [0,1,0,0,0,0|2,0,1]=4 1821 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [0,1,0,0,0,0|1,0,1]=3 1822 B11R1.279 N#Cc1ccc(cc1O)CO 271570a_203496583355_100009876504 [0,1,0,0,0,0|2,0,1]=4 1823 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [0,1,0,0,0,0|1,0,1]=3 1824 B11R1.279 OCc1ccc(c(c1)O)CO 271570a_203496583355_100010881536 [0,1,0,0,0,0|1,0,2]=4 1825 B11R1.279 [13CH3]Nc1ccc(c(c1)Br)C#N 34a_100000689153_200025704644 [0,1,0,0,0,0|2,0,1]=4 1826 B11R1.279 [13CH3]Nc1ccc(c(c1)Br)C#N 7a_100000689153_200025704644 [0,1,0,0,0,0|2,0,1]=4 1827 B11R1.279 [13CH3]Nc1ccc(c(c1)Cl)C#N 34a_100000211542_200025704644 [0,1,0,0,0,0|2,0,1]=4 1828 B11R1.279 [13CH3]Nc1ccc(c(c1)Cl)C#N 7a_100000211542_200025704644 [0,1,0,0,0,0|2,0,1]=4 1829 B11R1.279 [13CH3]Nc1ccc(c(c1)Cl)CO 34a_100000689119_200025704644 [0,1,0,0,0,0|1,0,2]=4 1830 B11R1.279 [13CH3]Nc1ccc(c(c1)F)C#N 34a_100000765089_200025704644 [0,1,0,0,0,0|2,0,1]=4 1831 B11R1.279 [13CH3]Nc1ccc(c(c1)F)C#N 7a_100000765089_200025704644 [0,1,0,0,0,0|2,0,1]=4 1832 B11R1.279 [13CH3]Nc1ccc(c(c1)O)C#N 34a_100000094571_200025704644 [0,1,0,0,0,0|2,0,1]=4 1833 B11R1.279 [13CH3]Nc1ccc(c(c1)O)C#N 7a_100000094571_200025704644 [0,1,0,0,0,0|2,0,1]=4 1834 B11R1.279 [13CH3]Nc1ccc(cc1Br)C#N 34a_100000736769_200025704644 [0,1,0,0,0,0|2,0,1]=4 1835 B11R1.279 [13CH3]Nc1ccc(cc1Br)C#N 7a_100000736769_200025704644 [0,1,0,0,0,0|2,0,1]=4 1836 B11R1.279 [13CH3]Nc1ccc(cc1Cl)C#N 34a_100000690208_200025704644 [0,1,0,0,0,0|2,0,1]=4 1837 B11R1.279 [13CH3]Nc1ccc(cc1Cl)C#N 7a_100000690208_200025704644 [0,1,0,0,0,0|2,0,1]=4 1838 B11R1.279 [13CH3]Nc1ccc(cc1F)C#N 34a_100000760432_200025704644 [0,1,0,0,0,0|2,0,1]=4 1839 B11R1.279 [13CH3]Nc1ccc(cc1F)C#N 7a_100000760432_200025704644 [0,1,0,0,0,0|2,0,1]=4 1840 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 2230a_100011217239_200025704644 [0,1,0,0,0,0|1,0,2]=4 1841 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 34a_100011217239_200025704644 [0,1,0,0,0,0|1,0,2]=4 1842 B11R1.279 [13CH3]Nc1ccc(cc1I)C#N 7a_100000067503_200025704644 [0,1,0,0,0,0|2,0,1]=4 1843 B11R1.279 [13CH3]Nc1ccc(cc1O)C#N 34a_100011997735_200025704644 [0,1,0,0,0,0|2,0,1]=4 1844 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)C#N 34a_100012184851_200025704644 [0,1,0,0,0,0|2,0,1]=4 1845 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)C#N 7a_100012184851_200025704644 [0,1,0,0,0,0|2,0,1]=4 1846 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 34a_100010146404_200025704644 [0,1,0,0,0,0|1,0,2]=4 1847 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 7a_100010146404_200025704644 [0,1,0,0,0,0|1,0,2]=4 1848 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)C#N 34a_100000716493_200025704644 [0,1,0,0,0,0|2,0,1]=4 1849 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)C#N 7a_100000716493_200025704644 [0,1,0,0,0,0|2,0,1]=4 1850 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CN 34a_200161156549_200025704644 [0,1,0,0,0,0|2,0,1]=4 1851 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 34a_200000075811_200025704644 [0,1,0,0,0,0|1,0,2]=4 1852 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 7a_200000075811_200025704644 [0,1,0,0,0,0|1,0,2]=4 1853 B11R1.279 [13CH3]Oc1ccc(c(c1)F)C#N 34a_100000753931_200025704644 [0,1,0,0,0,0|2,0,1]=4 1854 B11R1.279 [13CH3]Oc1ccc(c(c1)F)C#N 7a_100000753931_200025704644 [0,1,0,0,0,0|2,0,1]=4 1855 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 34a_100000084598_200025704644 [0,1,0,0,0,0|1,0,2]=4 1856 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 7a_100000084598_200025704644 [0,1,0,0,0,0|1,0,2]=4 1857 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 34a_100011216086_200025704644 [0,1,0,0,0,0|2,0,1]=4 1858 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 7a_100011216086_200025704644 [0,1,0,0,0,0|2,0,1]=4 1859 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [0,1,0,0,0,0|1,0,2]=4 1860 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [0,1,0,0,0,0|1,0,2]=4 1861 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 34a_100000205955_200025704644 [0,1,0,0,0,0|2,0,1]=4 1862 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 7a_100000205955_200025704644 [0,1,0,0,0,0|2,0,1]=4 1863 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 34a_100000751310_200025704644 [0,1,0,0,0,0|2,0,1]=4 1864 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 7a_100000751310_200025704644 [0,1,0,0,0,0|2,0,1]=4 1865 B11R1.279 [13CH3]Oc1ccc(cc1F)CN 34a_100000758358_200025704644 [0,1,0,0,0,0|2,0,1]=4 1866 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 34a_100000725478_200025704644 [0,1,0,0,0,0|2,0,1]=4 1867 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 7a_100000725478_200025704644 [0,1,0,0,0,0|2,0,1]=4 1868 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 34a_100000766272_200025704644 [0,1,0,0,0,0|2,0,1]=4 1869 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 7a_100000766272_200025704644 [0,1,0,0,0,0|2,0,1]=4 1870 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [0,1,0,0,0,0|1,0,2]=4 1871 B11R1.279 [13CH3]Sc1cc(c(cn1)C=O)N 62a_100000050503_200025704644 [0,1,0,0,0,0|2,0,0]=3 1872 B11R1.279 [13CH3]Sc1cc(c(cn1)C=O)N 62a_200025704644_100000050503 [0,1,0,0,0,0|2,0,0]=3 1873 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C#N 62a_100012349582_200025704644 [0,1,0,0,0,0|2,0,1]=4 1874 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C#N 62a_200025704644_100012349582 [0,1,0,0,0,0|2,0,1]=4 1875 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_100010185650_200025704644 [0,1,0,0,0,0|1,0,0]=2 1876 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_200025704644_100010185650 [0,1,0,0,0,0|1,0,0]=2 1877 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)CO 62a_100010240206_200025704644 [0,1,0,0,0,0|1,0,2]=4 1878 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)CO 62a_200025704644_100010240206 [0,1,0,0,0,0|1,0,2]=4 1879 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C#N 62a_200025704644_100012349662 [0,1,0,0,0,0|2,0,1]=4 1880 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_100000727542_200025704644 [0,1,0,0,0,0|1,0,0]=2 1881 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_200025704644_100000727542 [0,1,0,0,0,0|1,0,0]=2 1882 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C#N 62a_200025704644_100000037869 [0,1,0,0,0,0|2,0,1]=4 1883 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_100000211676_200025704644 [0,1,0,0,0,0|1,0,0]=2 1884 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_200025704644_100000211676 [0,1,0,0,0,0|1,0,0]=2 1885 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CN 62a_100000754580_200025704644 [0,1,0,0,0,0|2,0,1]=4 1886 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CN 62a_200025704644_100000754580 [0,1,0,0,0,0|2,0,1]=4 1887 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CO 62a_100011191541_200025704644 [0,1,0,0,0,0|1,0,2]=4 1888 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CO 62a_200025704644_100011191541 [0,1,0,0,0,0|1,0,2]=4 1889 B11R1.279 [13CH3]Sc1ccc(c(c1)F)NN 62a_100000751572_200025704644 [0,1,0,0,0,0|3,0,0]=4 1890 B11R1.279 [13CH3]Sc1ccc(c(c1)F)NN 62a_200025704644_100000751572 [0,1,0,0,0,0|3,0,0]=4 1891 B11R1.279 [13CH3]Sc1ccc(c(c1)N)C#N 62a_200025704644_100000699244 [0,1,0,0,0,0|2,0,1]=4 1892 B11R1.279 [13CH3]Sc1ccc(c(c1)N)C=O 62a_100009814810_200025704644 [0,1,0,0,0,0|1,0,0]=2 1893 B11R1.279 [13CH3]Sc1ccc(c(c1)N)CO 62a_100000718831_200025704644 [0,1,0,0,0,0|1,0,2]=4 1894 B11R1.279 [13CH3]Sc1ccc(c(c1)N)CO 62a_200025704644_100000718831 [0,1,0,0,0,0|1,0,2]=4 1895 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C#N 62a_200025704644_100011934713 [0,1,0,0,0,0|2,0,1]=4 1896 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_100011277552_200025704644 [0,1,0,0,0,0|1,0,0]=2 1897 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_200025704644_100011277552 [0,1,0,0,0,0|1,0,0]=2 1898 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [0,1,0,0,0,0|1,0,2]=4 1899 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [0,1,0,0,0,0|1,0,2]=4 1900 B11R1.279 [13CH3]Sc1ccc(c(n1)F)C=O 62a_100010064369_200025704644 [0,1,0,0,0,0|2,0,0]=3 1901 B11R1.279 [13CH3]Sc1ccc(c(n1)F)C=O 62a_200025704644_100010064369 [0,1,0,0,0,0|2,0,0]=3 1902 B11R1.279 [13CH3]Sc1ccc(cc1Br)C#N 62a_200025704644_100012356348 [0,1,0,0,0,0|2,0,1]=4 1903 B11R1.279 [13CH3]Sc1ccc(cc1Cl)C#N 62a_200025704644_100012349663 [0,1,0,0,0,0|2,0,1]=4 1904 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_100000718186_200025704644 [0,1,0,0,0,0|1,0,2]=4 1905 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_200025704644_100000718186 [0,1,0,0,0,0|1,0,2]=4 1906 B11R1.279 [13CH3]Sc1ccc(cc1F)C#N 62a_200025704644_100000050172 [0,1,0,0,0,0|2,0,1]=4 1907 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_100000686674_200025704644 [0,1,0,0,0,0|1,0,0]=2 1908 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_200025704644_100000686674 [0,1,0,0,0,0|1,0,0]=2 1909 B11R1.279 [13CH3]Sc1ccc(cc1F)CN 62a_100000755036_200025704644 [0,1,0,0,0,0|2,0,1]=4 1910 B11R1.279 [13CH3]Sc1ccc(cc1F)CN 62a_200025704644_100000755036 [0,1,0,0,0,0|2,0,1]=4 1911 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_100011533735_200025704644 [0,1,0,0,0,0|1,0,2]=4 1912 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_200025704644_100011533735 [0,1,0,0,0,0|1,0,2]=4 1913 B11R1.279 [13CH3]Sc1ccc(cc1F)NN 62a_100016992936_200025704644 [0,1,0,0,0,0|3,0,0]=4 1914 B11R1.279 [13CH3]Sc1ccc(cc1F)NN 62a_200025704644_100016992936 [0,1,0,0,0,0|3,0,0]=4 1915 B11R1.279 [13CH3]Sc1ccc(cc1N)C#N 62a_200025704644_100012001879 [0,1,0,0,0,0|2,0,1]=4 1916 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_100012347568_200025704644 [0,1,0,0,0,0|1,0,2]=4 1917 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_200025704644_100012347568 [0,1,0,0,0,0|1,0,2]=4 1918 B11R1.279 [13CH3]Sc1ccc(cc1O)C#N 62a_200025704644_100009877741 [0,1,0,0,0,0|2,0,1]=4 1919 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [0,1,0,0,0,0|1,0,0]=2 1920 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [0,1,0,0,0,0|1,0,0]=2 1921 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [0,1,0,0,0,0|1,0,2]=4 1922 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [0,1,0,0,0,0|1,0,2]=4 1923 B11R1.279 [13CH3]Sc1cnc(c(c1)F)C=O 62a_100010180630_200025704644 [0,1,0,0,0,0|2,0,0]=3 1924 B11R1.279 [13CH3]Sc1cnc(c(c1)F)C=O 62a_200025704644_100010180630 [0,1,0,0,0,0|2,0,0]=3 1925 B11R1.279 [13CH3]Sc1ncc(c(n1)N)C=O 62a_100010726233_200025704644 [0,1,0,0,0,0|3,0,0]=4 1926 B11R1.279 [13CH3]Sc1ncc(c(n1)N)C=O 62a_200025704644_100010726233 [0,1,0,0,0,0|3,0,0]=4 1927 B11R1.279 [13CH3]Sc1ncc(cc1F)C=O 62a_100009866847_200025704644 [0,1,0,0,0,0|2,0,0]=3 1928 B11R1.279 [13CH3]Sc1ncc(cc1F)C=O 62a_200025704644_100009866847 [0,1,0,0,0,0|2,0,0]=3 1929 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,0,1,0,0,0|2,0,1]=4 1930 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [0,0,0,1,0,0|1,0,0]=2 1931 B11R2.190 CSc1ccc2c(c1)CC2 62a_100009818592_200000210301 [0,0,0,1,0,0|2,0,0]=3 1932 B11R2.190 CSc1ccc2c(c1)CC2 62a_200000210301_100009818592 [0,0,0,1,0,0|2,0,0]=3 1933 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_100009818592_200025704644 [0,0,0,1,0,0|2,0,0]=3 1934 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_200025704644_100009818592 [0,0,0,1,0,0|2,0,0]=3 1935 B9R1.21 C=Cc1cc(c[nH]1)C=O 271570a_100011290941_100009882863 [0,0,0,0,1,0|1,0,2]=4 1936 B9R1.21 C=Cc1cc(cs1)C=O 271570a_100011290941_100000737087 [0,0,0,0,1,0|1,0,2]=4 1937 B9R1.21 C=Cc1ccc(o1)C=O 271570a_100011290941_100000185145 [0,0,0,0,1,0|1,0,2]=4 1938 B9R1.21 C=Cc1ccc(o1)CN 271570a_100011290941_100000708654 [0,0,0,0,1,0|3,0,0]=4 1939 B9R1.21 C=Cc1ccc(o1)CO 271570a_100011290941_100000246276 [0,0,0,0,1,0|3,0,0]=4 1940 B9R1.21 C=Cc1ccc(s1)C=O 271570a_100011290941_100000179771 [0,0,0,0,1,0|1,0,2]=4 1941 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [0,0,0,0,1,0|2,0,0]=3 1942 B9R1.21 C=Cc1ccc(s1)CN 271570a_100011290941_100000737305 [0,0,0,0,1,0|3,0,0]=4 1943 B9R1.21 C=Cc1ccc(s1)CO 271570a_100011290941_100000246291 [0,0,0,0,1,0|3,0,0]=4 1944 B9R1.21 C=Cc1ccn(n1)CC 271570a_100011290941_100012350556 [0,0,0,0,1,0|3,0,0]=4 1945 B9R1.21 C=Cc1cn(cn1)CC 271570a_100011290941_100010368372 [0,0,0,0,1,0|3,0,0]=4 1946 B9R1.21 C=Cc1cnn(c1)CC 271570a_100011290941_100011400201 [0,0,0,0,1,0|3,0,0]=4 1947 B9R1.21 C=Cc1coc(c1)C=O 271570a_100011290941_100000747035 [0,0,0,0,1,0|1,0,2]=4 1948 B9R1.21 C=Cc1csc(c1)C=O 271570a_100011290941_100000211722 [0,0,0,0,1,0|1,0,2]=4 1949 B9R1.21 C=Cc1csc(c1)CC 271570a_100011290941_100009846239 [0,0,0,0,1,0|2,0,0]=3 1950 B9R1.21 C=Cc1csc(c1)CO 271570a_100011290941_100000238369 [0,0,0,0,1,0|3,0,0]=4 1951 B9R1.21 C=Cc1csc(c1)SC 271570a_100011290941_200010256830 [0,0,0,0,1,0|3,0,0]=4 1952 B9R1.21 CCc1cc(cs1)SC 62a_100009846239_200000210301 [0,0,0,0,1,0|3,0,0]=4 1953 B9R1.21 CCc1cc(cs1)SC 62a_200000210301_100009846239 [0,0,0,0,1,0|3,0,0]=4 1954 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_100009846239_200025704644 [0,0,0,0,1,0|3,0,0]=4 1955 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_200025704644_100009846239 [0,0,0,0,1,0|3,0,0]=4 1956 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [0,0,0,0,1,0|3,0,0]=4 1957 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [0,0,0,0,1,0|3,0,0]=4 1958 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [0,0,0,0,1,0|3,0,0]=4 1959 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [0,0,0,0,1,0|3,0,0]=4 1960 B9R1.21 CNc1ncc(s1)C=O 27a_100102657272_100009814069 [0,0,0,0,1,0|3,0,0]=4 1961 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [0,0,0,0,1,0|2,0,0]=3 1962 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [0,0,0,0,1,0|2,0,0]=3 1963 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [0,0,0,0,1,0|2,0,0]=3 1964 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [0,0,0,0,1,0|2,0,0]=3 1965 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [0,0,0,0,1,0|2,0,0]=3 1966 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [0,0,0,0,1,0|2,0,0]=3 1967 B9R1.21 CSc1cc(on1)C=O 62a_100009819588_200000210301 [0,0,0,0,1,0|3,0,0]=4 1968 B9R1.21 CSc1cc(on1)C=O 62a_200000210301_100009819588 [0,0,0,0,1,0|3,0,0]=4 1969 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [0,0,0,0,1,0|2,0,0]=3 1970 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [0,0,0,0,1,0|2,0,0]=3 1971 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [0,0,0,0,1,0|2,0,0]=3 1972 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [0,0,0,0,1,0|2,0,0]=3 1973 B9R1.21 CSc1cnc(s1)C=O 62a_100000699580_200000210301 [0,0,0,0,1,0|3,0,0]=4 1974 B9R1.21 CSc1cnc(s1)C=O 62a_200000210301_100000699580 [0,0,0,0,1,0|3,0,0]=4 1975 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [0,0,0,0,1,0|2,0,0]=3 1976 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [0,0,0,0,1,0|2,0,0]=3 1977 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [0,0,0,0,1,0|2,0,0]=3 1978 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [0,0,0,0,1,0|2,0,0]=3 1979 B9R1.21 CSc1csc(n1)C=O 62a_100009816814_200000210301 [0,0,0,0,1,0|3,0,0]=4 1980 B9R1.21 CSc1csc(n1)C=O 62a_200000210301_100009816814 [0,0,0,0,1,0|3,0,0]=4 1981 B9R1.21 CSc1nc(cs1)C=O 62a_100009816748_200000210301 [0,0,0,0,1,0|3,0,0]=4 1982 B9R1.21 CSc1nc(cs1)C=O 62a_200000210301_100009816748 [0,0,0,0,1,0|3,0,0]=4 1983 B9R1.21 CSc1ncc(s1)C=O 62a_100009814069_200000210301 [0,0,0,0,1,0|3,0,0]=4 1984 B9R1.21 CSc1ncc(s1)C=O 62a_200000210301_100009814069 [0,0,0,0,1,0|3,0,0]=4 1985 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [0,0,0,0,1,0|2,0,0]=3 1986 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [0,0,0,0,1,0|2,0,0]=3 1987 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [0,0,0,0,1,0|2,0,0]=3 1988 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [0,0,0,0,1,0|2,0,0]=3 1989 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [0,0,0,0,1,0|2,0,0]=3 1990 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [0,0,0,0,1,0|2,0,0]=3 1991 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_100009819588_200025704644 [0,0,0,0,1,0|3,0,0]=4 1992 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_200025704644_100009819588 [0,0,0,0,1,0|3,0,0]=4 1993 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [0,0,0,0,1,0|2,0,0]=3 1994 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [0,0,0,0,1,0|2,0,0]=3 1995 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [0,0,0,0,1,0|2,0,0]=3 1996 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [0,0,0,0,1,0|2,0,0]=3 1997 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_100000699580_200025704644 [0,0,0,0,1,0|3,0,0]=4 1998 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_200025704644_100000699580 [0,0,0,0,1,0|3,0,0]=4 1999 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [0,0,0,0,1,0|2,0,0]=3 2000 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [0,0,0,0,1,0|2,0,0]=3 2001 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [0,0,0,0,1,0|2,0,0]=3 2002 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [0,0,0,0,1,0|2,0,0]=3 2003 B9R1.21 [13CH3]Sc1csc(n1)C=O 62a_100009816814_200025704644 [0,0,0,0,1,0|3,0,0]=4 2004 B9R1.21 [13CH3]Sc1csc(n1)C=O 62a_200025704644_100009816814 [0,0,0,0,1,0|3,0,0]=4 2005 B9R1.21 [13CH3]Sc1nc(cs1)C=O 62a_100009816748_200025704644 [0,0,0,0,1,0|3,0,0]=4 2006 B9R1.21 [13CH3]Sc1nc(cs1)C=O 62a_200025704644_100009816748 [0,0,0,0,1,0|3,0,0]=4 2007 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_100009814069_200025704644 [0,0,0,0,1,0|3,0,0]=4 2008 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_200025704644_100009814069 [0,0,0,0,1,0|3,0,0]=4 2009 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,0,1,0,0,0|2,0,0]=4 2010 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [1,0,1,0,0,0|0,0,1]=3 2011 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|1,0,0]=3 2012 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|2,0,0]=4 2013 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|2,0,0]=4 2014 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|2,0,0]=4 2015 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 2016 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 2017 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 2018 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 2019 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 2020 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|2,0,0]=4 2021 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,0]=3 2022 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,0]=3 2023 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|2,0,0]=4 2024 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|2,0,0]=4 2025 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|2,0,0]=4 2026 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|2,0,0]=4 2027 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|2,0,0]=4 2028 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|2,0,0]=4 2029 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 2030 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 2031 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 2032 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 2033 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 2034 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|2,0,0]=4 2035 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,0]=3 2036 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,0]=3 2037 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|2,0,0]=4 2038 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|2,0,0]=4 2039 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|2,0,0]=4 2040 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|2,0,0]=4 2041 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|2,0,0]=4 2042 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|2,0,0]=4 2043 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [2,0,0,0,0,0|0,0,1]=3 2044 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [2,0,0,0,0,0|1,0,1]=4 2045 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [2,0,0,0,0,0|1,0,1]=4 2046 B8R1.3 Nc1ccc(cc1)O 271570a_203496583355_100000185761 [2,0,0,0,0,0|1,0,1]=4 2047 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [2,0,0,0,0,0|2,0,0]=4 2048 B8R1.3 Oc1ccc(cc1)Br 271570a_203496583355_100000752885 [2,0,0,0,0,0|1,0,1]=4 2049 B8R1.3 Oc1ccc(cc1)Cl 271570a_203496583355_100000755918 [2,0,0,0,0,0|1,0,1]=4 2050 B8R1.3 Oc1ccc(cc1)F 271570a_203496583355_100000211213 [2,0,0,0,0,0|1,0,1]=4 2051 B8R1.3 Oc1ccc(cc1)O 271570a_203496583355_100000185759 [2,0,0,0,0,0|1,0,1]=4 2052 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|0,0,2]=4 2053 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [1,1,0,0,0,0|2,0,0]=4 2054 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,1,0,0,0,0|1,0,0]=3 2055 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,1,0,0,0,0|2,0,0]=4 2056 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [1,1,0,0,0,0|2,0,0]=4 2057 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [1,1,0,0,0,0|2,0,0]=4 2058 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,1,0,0,0,0|2,0,0]=4 2059 B10R1.1 C=C=Cc1ccc(cn1)C 271570a_100015277604_100000754016 [1,1,0,0,0,0|2,0,0]=4 2060 B10R1.1 C=C=Cc1ccc(nc1)C 271570a_100015277604_100000751577 [1,1,0,0,0,0|2,0,0]=4 2061 B10R1.1 CC=Cc1ccc(=O)[nH]c1 271570a_100016259895_100000212171 [1,1,0,0,0,0|1,0,1]=4 2062 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|1,0,1]=4 2063 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|1,0,0]=3 2064 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|1,0,1]=4 2065 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|1,0,1]=4 2066 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|1,0,1]=4 2067 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|0,0,2]=4 2068 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,1,0,0,0,0|2,0,0]=4 2069 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [1,1,0,0,0,0|2,0,0]=4 2070 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|0,0,1]=3 2071 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,1,0,0,0,0|1,0,0]=3 2072 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,1,0,0,0,0|1,0,0]=3 2073 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,1,0,0,0,0|0,0,1]=3 2074 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,1,0,0,0,0|1,0,0]=3 2075 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,1,0,0,0,0|1,0,0]=3 2076 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,1,0,0,0,0|1,0,0]=3 2077 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,1,0,0,0,0|1,0,0]=3 2078 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|0,0,1]=3 2079 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|0,0,1]=3 2080 B10R1.1 CCNc1ccc(cn1)Br 27a_100015525214_100000686858 [1,1,0,0,0,0|2,0,0]=4 2081 B10R1.1 CCNc1ccc(cn1)O 271570a_203496583355_100000741496 [1,1,0,0,0,0|1,0,1]=4 2082 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [1,1,0,0,0,0|1,0,0]=3 2083 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,1,0,0,0,0|1,0,0]=3 2084 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,1,0,0,0,0|1,0,0]=3 2085 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,1,0,0,0,0|0,0,1]=3 2086 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,1,0,0,0,0|0,0,1]=3 2087 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,1,0,0,0,0|1,0,0]=3 2088 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,1,0,0,0,0|1,0,0]=3 2089 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,1,0,0,0,0|1,0,0]=3 2090 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,1,0,0,0,0|1,0,0]=3 2091 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,1,0,0,0,0|1,0,0]=3 2092 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,1,0,0,0,0|1,0,0]=3 2093 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|0,0,1]=3 2094 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [1,1,0,0,0,0|1,0,1]=4 2095 B10R1.1 CCOc1ccc(cn1)Cl 34a_100011215309_100000210202 [1,1,0,0,0,0|2,0,0]=4 2096 B10R1.1 CCOc1ccc(cn1)F 34a_100000742473_100000210202 [1,1,0,0,0,0|2,0,0]=4 2097 B10R1.1 CCOc1ccc(cn1)N 34a_100000729260_100000210202 [1,1,0,0,0,0|2,0,0]=4 2098 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [1,1,0,0,0,0|1,0,1]=4 2099 B10R1.1 CCOc1ccc(nc1)Br 34a_100000685995_100000210202 [1,1,0,0,0,0|2,0,0]=4 2100 B10R1.1 CCOc1ccc(nc1)Br 7a_100000685995_100000210202 [1,1,0,0,0,0|2,0,0]=4 2101 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [1,1,0,0,0,0|1,0,1]=4 2102 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [1,1,0,0,0,0|1,0,1]=4 2103 B10R1.1 CCOc1ccc(nc1)Cl 34a_100000744096_100000210202 [1,1,0,0,0,0|2,0,0]=4 2104 B10R1.1 CCOc1ccc(nc1)Cl 7a_100000744096_100000210202 [1,1,0,0,0,0|2,0,0]=4 2105 B10R1.1 CCOc1ccc(nc1)F 34a_100000688820_100000210202 [1,1,0,0,0,0|2,0,0]=4 2106 B10R1.1 CCOc1ccc(nc1)F 7a_100000688820_100000210202 [1,1,0,0,0,0|2,0,0]=4 2107 B10R1.1 CCOc1ccc(nc1)I 34a_100000687607_100000210202 [1,1,0,0,0,0|2,0,0]=4 2108 B10R1.1 CCOc1ccc(nc1)I 7a_100000687607_100000210202 [1,1,0,0,0,0|2,0,0]=4 2109 B10R1.1 CCOc1ccc(nc1)N 34a_100015188713_100000210202 [1,1,0,0,0,0|2,0,0]=4 2110 B10R1.1 CCOc1ccc(nc1)N 7a_100015188713_100000210202 [1,1,0,0,0,0|2,0,0]=4 2111 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [1,1,0,0,0,0|1,0,1]=4 2112 B10R1.1 CCSc1cc[n+](cc1)[O-] 62a_100000210202_100000039755 [1,1,0,0,0,0|1,0,1]=4 2113 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000210202_100000212171 [1,1,0,0,0,0|1,0,0]=3 2114 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210202 [1,1,0,0,0,0|1,0,0]=3 2115 B10R1.1 CCSc1ccc(=O)[nH]n1 62a_100000210202_100009820020 [1,1,0,0,0,0|2,0,0]=4 2116 B10R1.1 CCSc1ccc(=O)[nH]n1 62a_100009820020_100000210202 [1,1,0,0,0,0|2,0,0]=4 2117 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,1,0,0,0,0|1,0,0]=3 2118 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,1,0,0,0,0|1,0,0]=3 2119 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,1,0,0,0,0|0,0,1]=3 2120 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,1,0,0,0,0|0,0,1]=3 2121 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,1,0,0,0,0|1,0,0]=3 2122 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,1,0,0,0,0|1,0,0]=3 2123 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,1,0,0,0,0|1,0,0]=3 2124 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,1,0,0,0,0|1,0,0]=3 2125 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,1,0,0,0,0|1,0,0]=3 2126 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,1,0,0,0,0|1,0,0]=3 2127 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|0,0,1]=3 2128 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|0,0,1]=3 2129 B10R1.1 CCSc1ccc(cn1)Br 62a_100000210202_100000686858 [1,1,0,0,0,0|2,0,0]=4 2130 B10R1.1 CCSc1ccc(cn1)Br 62a_100000686858_100000210202 [1,1,0,0,0,0|2,0,0]=4 2131 B10R1.1 CCSc1ccc(cn1)C 62a_100000210202_100000754016 [1,1,0,0,0,0|1,0,1]=4 2132 B10R1.1 CCSc1ccc(cn1)C 62a_100011192072_100000210202 [1,1,0,0,0,0|1,0,1]=4 2133 B10R1.1 CCSc1ccc(cn1)Cl 62a_100000210202_100011356976 [1,1,0,0,0,0|2,0,0]=4 2134 B10R1.1 CCSc1ccc(cn1)Cl 62a_100011356976_100000210202 [1,1,0,0,0,0|2,0,0]=4 2135 B10R1.1 CCSc1ccc(cn1)F 62a_100000210202_100000744514 [1,1,0,0,0,0|2,0,0]=4 2136 B10R1.1 CCSc1ccc(cn1)F 62a_100000744514_100000210202 [1,1,0,0,0,0|2,0,0]=4 2137 B10R1.1 CCSc1ccc(cn1)N 62a_100000210202_100000737798 [1,1,0,0,0,0|2,0,0]=4 2138 B10R1.1 CCSc1ccc(cn1)N 62a_100000737798_100000210202 [1,1,0,0,0,0|2,0,0]=4 2139 B10R1.1 CCSc1ccc(cn1)O 271570a_203496583355_100000690189 [1,1,0,0,0,0|1,0,1]=4 2140 B10R1.1 CCSc1ccc(cn1)O 62a_100000210202_100000744096 [1,1,0,0,0,0|1,0,1]=4 2141 B10R1.1 CCSc1ccc(cn1)O 62a_100000685995_100000210202 [1,1,0,0,0,0|1,0,1]=4 2142 B10R1.1 CCSc1ccc(nc1)Br 62a_100000210202_100009814638 [1,1,0,0,0,0|2,0,0]=4 2143 B10R1.1 CCSc1ccc(nc1)Br 62a_100009814638_100000210202 [1,1,0,0,0,0|2,0,0]=4 2144 B10R1.1 CCSc1ccc(nc1)C 62a_100000210202_100000751577 [1,1,0,0,0,0|1,0,1]=4 2145 B10R1.1 CCSc1ccc(nc1)C 62a_100000751577_100000210202 [1,1,0,0,0,0|1,0,1]=4 2146 B10R1.1 CCSc1ccc(nc1)Cl 62a_100000034144_100000210202 [1,1,0,0,0,0|2,0,0]=4 2147 B10R1.1 CCSc1ccc(nc1)Cl 62a_100000210202_100000034144 [1,1,0,0,0,0|2,0,0]=4 2148 B10R1.1 CCSc1ccc(nc1)F 62a_100000042367_100000210202 [1,1,0,0,0,0|2,0,0]=4 2149 B10R1.1 CCSc1ccc(nc1)F 62a_100000210202_100000042367 [1,1,0,0,0,0|2,0,0]=4 2150 B10R1.1 CCSc1ccc(nc1)N 62a_100000187370_100000210202 [1,1,0,0,0,0|2,0,0]=4 2151 B10R1.1 CCSc1ccc(nc1)N 62a_100000210202_100000187370 [1,1,0,0,0,0|2,0,0]=4 2152 B10R1.1 CCSc1cnc(=O)[nH]c1 62a_100000210202_102495366499 [1,1,0,0,0,0|2,0,0]=4 2153 B10R1.1 CCSc1cnc(=O)[nH]c1 62a_102495366499_100000210202 [1,1,0,0,0,0|2,0,0]=4 2154 B10R1.1 CNCc1ccc(=O)[nH]n1 207a_100102657272_100011361533 [1,1,0,0,0,0|2,0,0]=4 2155 B10R1.1 CNCc1ccc(=O)[nH]n1 270004a_106832991635_100011361533 [1,1,0,0,0,0|2,0,0]=4 2156 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|1,0,0]=3 2157 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|1,0,0]=3 2158 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|1,0,0]=3 2159 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|1,0,0]=3 2160 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|1,0,0]=3 2161 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|1,0,0]=3 2162 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|1,0,0]=3 2163 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|1,0,0]=3 2164 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|0,0,1]=3 2165 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|0,0,1]=3 2166 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|0,0,1]=3 2167 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|0,0,1]=3 2168 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|0,0,1]=3 2169 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|0,0,1]=3 2170 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|0,0,1]=3 2171 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|0,0,1]=3 2172 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|1,0,0]=3 2173 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|1,0,0]=3 2174 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|1,0,0]=3 2175 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|1,0,0]=3 2176 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|1,0,0]=3 2177 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|1,0,0]=3 2178 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|1,0,0]=3 2179 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|1,0,0]=3 2180 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|1,0,0]=3 2181 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|1,0,0]=3 2182 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|1,0,0]=3 2183 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|1,0,0]=3 2184 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|1,0,0]=3 2185 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|1,0,0]=3 2186 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|1,0,0]=3 2187 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|1,0,0]=3 2188 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|1,0,0]=3 2189 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|1,0,0]=3 2190 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|1,0,0]=3 2191 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|1,0,0]=3 2192 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|0,0,1]=3 2193 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|0,0,1]=3 2194 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [1,1,0,0,0,0|2,0,0]=4 2195 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [1,1,0,0,0,0|2,0,0]=4 2196 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [1,1,0,0,0,0|2,0,0]=4 2197 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2198 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [1,1,0,0,0,0|2,0,0]=4 2199 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [1,1,0,0,0,0|2,0,0]=4 2200 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [1,1,0,0,0,0|1,0,1]=4 2201 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [1,1,0,0,0,0|1,0,1]=4 2202 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [1,1,0,0,0,0|1,0,1]=4 2203 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [1,1,0,0,0,0|1,0,1]=4 2204 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [1,1,0,0,0,0|1,0,1]=4 2205 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [1,1,0,0,0,0|1,0,1]=4 2206 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [1,1,0,0,0,0|2,0,0]=4 2207 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [1,1,0,0,0,0|2,0,0]=4 2208 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [1,1,0,0,0,0|2,0,0]=4 2209 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [1,1,0,0,0,0|2,0,0]=4 2210 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [1,1,0,0,0,0|2,0,0]=4 2211 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [1,1,0,0,0,0|2,0,0]=4 2212 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [1,1,0,0,0,0|2,0,0]=4 2213 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [1,1,0,0,0,0|2,0,0]=4 2214 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [1,1,0,0,0,0|2,0,0]=4 2215 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [1,1,0,0,0,0|2,0,0]=4 2216 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [1,1,0,0,0,0|2,0,0]=4 2217 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [1,1,0,0,0,0|2,0,0]=4 2218 B10R1.1 CNCc1ccc(nc1)Br 2230a_100009817727_200000210301 [1,1,0,0,0,0|2,0,0]=4 2219 B10R1.1 CNCc1ccc(nc1)Br 2230a_106832991635_100009831999 [1,1,0,0,0,0|2,0,0]=4 2220 B10R1.1 CNCc1ccc(nc1)Br 34a_100009817727_200000210301 [1,1,0,0,0,0|2,0,0]=4 2221 B10R1.1 CNCc1ccc(nc1)Br 34a_100102657272_100009831999 [1,1,0,0,0,0|2,0,0]=4 2222 B10R1.1 CNCc1ccc(nc1)Br 7a_106832991635_100009831999 [1,1,0,0,0,0|2,0,0]=4 2223 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [1,1,0,0,0,0|1,0,1]=4 2224 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [1,1,0,0,0,0|1,0,1]=4 2225 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [1,1,0,0,0,0|1,0,1]=4 2226 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [1,1,0,0,0,0|1,0,1]=4 2227 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [1,1,0,0,0,0|1,0,1]=4 2228 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [1,1,0,0,0,0|2,0,0]=4 2229 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [1,1,0,0,0,0|2,0,0]=4 2230 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [1,1,0,0,0,0|2,0,0]=4 2231 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [1,1,0,0,0,0|2,0,0]=4 2232 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [1,1,0,0,0,0|2,0,0]=4 2233 B10R1.1 CNCc1ccc(nc1)F 2230a_100000101913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2234 B10R1.1 CNCc1ccc(nc1)F 2230a_106832991635_100009820150 [1,1,0,0,0,0|2,0,0]=4 2235 B10R1.1 CNCc1ccc(nc1)F 34a_100000101913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2236 B10R1.1 CNCc1ccc(nc1)F 34a_100102657272_100000099788 [1,1,0,0,0,0|2,0,0]=4 2237 B10R1.1 CNCc1ccc(nc1)F 7a_106832991635_100009820150 [1,1,0,0,0,0|2,0,0]=4 2238 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [1,1,0,0,0,0|1,0,1]=4 2239 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [1,1,0,0,0,0|1,0,1]=4 2240 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [1,1,0,0,0,0|1,0,1]=4 2241 B10R1.1 COCc1cc[n+](cc1)C 34a_100009831711_200000210301 [1,1,0,0,0,0|1,0,1]=4 2242 B10R1.1 COCc1cc[n+](cc1)[O-] 34a_100000031831_200000210301 [1,1,0,0,0,0|1,0,1]=4 2243 B10R1.1 COCc1cc[n+](cc1)[O-] 7a_100000031831_200000210301 [1,1,0,0,0,0|1,0,1]=4 2244 B10R1.1 COCc1ccc(=O)[nH]c1 34a_100011999846_200000210301 [1,1,0,0,0,0|1,0,0]=3 2245 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|1,0,0]=3 2246 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|1,0,0]=3 2247 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|0,0,1]=3 2248 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|0,0,1]=3 2249 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|0,0,1]=3 2250 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|1,0,0]=3 2251 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|1,0,0]=3 2252 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|1,0,0]=3 2253 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|1,0,0]=3 2254 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|1,0,0]=3 2255 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|1,0,0]=3 2256 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|1,0,0]=3 2257 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|1,0,0]=3 2258 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|1,0,0]=3 2259 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|1,0,0]=3 2260 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|0,0,1]=3 2261 B10R1.1 COCc1ccc(cn1)Br 34a_100000754261_200000210301 [1,1,0,0,0,0|2,0,0]=4 2262 B10R1.1 COCc1ccc(cn1)Br 34a_100138415774_100000702658 [1,1,0,0,0,0|2,0,0]=4 2263 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [1,1,0,0,0,0|1,0,1]=4 2264 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [1,1,0,0,0,0|1,0,1]=4 2265 B10R1.1 COCc1ccc(cn1)Cl 34a_100000703999_200000210301 [1,1,0,0,0,0|2,0,0]=4 2266 B10R1.1 COCc1ccc(cn1)Cl 34a_100138415774_100012066911 [1,1,0,0,0,0|2,0,0]=4 2267 B10R1.1 COCc1ccc(cn1)F 34a_100011999454_200000210301 [1,1,0,0,0,0|2,0,0]=4 2268 B10R1.1 COCc1ccc(cn1)F 34a_100138415774_100000703193 [1,1,0,0,0,0|2,0,0]=4 2269 B10R1.1 COCc1ccc(cn1)N 34a_100011998161_200000210301 [1,1,0,0,0,0|2,0,0]=4 2270 B10R1.1 COCc1ccc(nc1)Br 34a_100009816760_200000210301 [1,1,0,0,0,0|2,0,0]=4 2271 B10R1.1 COCc1ccc(nc1)Br 34a_100138415774_100009831999 [1,1,0,0,0,0|2,0,0]=4 2272 B10R1.1 COCc1ccc(nc1)Br 7a_100009816760_200000210301 [1,1,0,0,0,0|2,0,0]=4 2273 B10R1.1 COCc1ccc(nc1)C 34a_100011248133_200000210301 [1,1,0,0,0,0|1,0,1]=4 2274 B10R1.1 COCc1ccc(nc1)C 34a_100138415774_100016987292 [1,1,0,0,0,0|1,0,1]=4 2275 B10R1.1 COCc1ccc(nc1)Cl 34a_100000755211_200000210301 [1,1,0,0,0,0|2,0,0]=4 2276 B10R1.1 COCc1ccc(nc1)Cl 34a_100138415774_100000735431 [1,1,0,0,0,0|2,0,0]=4 2277 B10R1.1 COCc1ccc(nc1)Cl 7a_100000755211_200000210301 [1,1,0,0,0,0|2,0,0]=4 2278 B10R1.1 COCc1ccc(nc1)F 34a_100000079959_200000210301 [1,1,0,0,0,0|2,0,0]=4 2279 B10R1.1 COCc1ccc(nc1)F 34a_100138415774_100000099788 [1,1,0,0,0,0|2,0,0]=4 2280 B10R1.1 COCc1ccc(nc1)N 34a_100000704267_200000210301 [1,1,0,0,0,0|2,0,0]=4 2281 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|1,0,0]=3 2282 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|1,0,0]=3 2283 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|0,0,1]=3 2284 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|0,0,1]=3 2285 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|1,0,0]=3 2286 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|1,0,0]=3 2287 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|1,0,0]=3 2288 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|1,0,0]=3 2289 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|1,0,0]=3 2290 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|1,0,0]=3 2291 B10R1.1 CSCc1ccc(cn1)Br 62a_100000702658_200000210301 [1,1,0,0,0,0|2,0,0]=4 2292 B10R1.1 CSCc1ccc(cn1)Br 62a_200000210301_100000702658 [1,1,0,0,0,0|2,0,0]=4 2293 B10R1.1 CSCc1ccc(cn1)C 62a_100000691093_200000210301 [1,1,0,0,0,0|1,0,1]=4 2294 B10R1.1 CSCc1ccc(cn1)C 62a_200000210301_100000691093 [1,1,0,0,0,0|1,0,1]=4 2295 B10R1.1 CSCc1ccc(cn1)Cl 62a_100012066911_200000210301 [1,1,0,0,0,0|2,0,0]=4 2296 B10R1.1 CSCc1ccc(cn1)Cl 62a_200000210301_100000697101 [1,1,0,0,0,0|2,0,0]=4 2297 B10R1.1 CSCc1ccc(cn1)F 62a_100000703193_200000210301 [1,1,0,0,0,0|2,0,0]=4 2298 B10R1.1 CSCc1ccc(cn1)F 62a_200000210301_100000703193 [1,1,0,0,0,0|2,0,0]=4 2299 B10R1.1 CSCc1ccc(nc1)Br 62a_100009831999_200000210301 [1,1,0,0,0,0|2,0,0]=4 2300 B10R1.1 CSCc1ccc(nc1)Br 62a_200000210301_100009831999 [1,1,0,0,0,0|2,0,0]=4 2301 B10R1.1 CSCc1ccc(nc1)C 62a_100016987292_200000210301 [1,1,0,0,0,0|1,0,1]=4 2302 B10R1.1 CSCc1ccc(nc1)C 62a_200000210301_100016987292 [1,1,0,0,0,0|1,0,1]=4 2303 B10R1.1 CSCc1ccc(nc1)Cl 62a_100000735431_200000210301 [1,1,0,0,0,0|2,0,0]=4 2304 B10R1.1 CSCc1ccc(nc1)Cl 62a_200000210301_100000735431 [1,1,0,0,0,0|2,0,0]=4 2305 B10R1.1 CSCc1ccc(nc1)F 62a_100009820150_200000210301 [1,1,0,0,0,0|2,0,0]=4 2306 B10R1.1 CSCc1ccc(nc1)F 62a_200000210301_100000099788 [1,1,0,0,0,0|2,0,0]=4 2307 B10R1.1 CSCc1ccc(nc1)O 271570a_203496583355_100000753673 [1,1,0,0,0,0|1,0,1]=4 2308 B10R1.1 C[n+]1ccc(cc1)CO[13CH3] 34a_100009831711_200025704644 [1,1,0,0,0,0|1,0,1]=4 2309 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|0,0,1]=3 2310 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|0,0,1]=3 2311 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|0,0,1]=3 2312 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|0,0,1]=3 2313 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|0,0,1]=3 2314 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|0,0,1]=3 2315 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [1,1,0,0,0,0|1,0,1]=4 2316 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [1,1,0,0,0,0|1,0,1]=4 2317 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [1,1,0,0,0,0|1,0,1]=4 2318 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [1,1,0,0,0,0|1,0,1]=4 2319 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [1,1,0,0,0,0|1,0,1]=4 2320 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [1,1,0,0,0,0|1,0,1]=4 2321 B10R1.1 Cc1ccc(cn1)CO[13CH3] 34a_100011248133_200025704644 [1,1,0,0,0,0|1,0,1]=4 2322 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_100016987292_200025704644 [1,1,0,0,0,0|1,0,1]=4 2323 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_200025704644_100016987292 [1,1,0,0,0,0|1,0,1]=4 2324 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [1,1,0,0,0,0|1,0,1]=4 2325 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [1,1,0,0,0,0|1,0,1]=4 2326 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_100000691093_200025704644 [1,1,0,0,0,0|1,0,1]=4 2327 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_200025704644_100000691093 [1,1,0,0,0,0|1,0,1]=4 2328 B10R1.1 FCNc1ccc(cc1)Br 34a_100000210018_100015361967 [1,1,0,0,0,0|2,0,0]=4 2329 B10R1.1 FCNc1ccc(cc1)Cl 34a_100000210052_100015361967 [1,1,0,0,0,0|2,0,0]=4 2330 B10R1.1 FCNc1ccc(cc1)F 34a_100000185862_100015361967 [1,1,0,0,0,0|2,0,0]=4 2331 B10R1.1 FCNc1ccc(cc1)I 34a_100000185761_100015361967 [1,1,0,0,0,0|2,0,0]=4 2332 B10R1.1 FCOc1ccc(cc1)Br 34a_100000185759_100015361967 [1,1,0,0,0,0|2,0,0]=4 2333 B10R1.1 FCOc1ccc(cc1)Br 7a_100000185759_100015361967 [1,1,0,0,0,0|2,0,0]=4 2334 B10R1.1 FCOc1ccc(cc1)Cl 34a_100000210216_100015361967 [1,1,0,0,0,0|2,0,0]=4 2335 B10R1.1 FCOc1ccc(cc1)Cl 7a_100000210216_100015361967 [1,1,0,0,0,0|2,0,0]=4 2336 B10R1.1 FCOc1ccc(cc1)F 34a_100000210339_100015361967 [1,1,0,0,0,0|2,0,0]=4 2337 B10R1.1 FCOc1ccc(cc1)I 34a_100000212066_100015361967 [1,1,0,0,0,0|2,0,0]=4 2338 B10R1.1 FCOc1ccc(cc1)I 7a_100000212066_100015361967 [1,1,0,0,0,0|2,0,0]=4 2339 B10R1.1 FCSc1ccc(cc1)Br 62a_100000752885_100015361967 [1,1,0,0,0,0|2,0,0]=4 2340 B10R1.1 FCSc1ccc(cc1)Br 62a_100015361967_100000752885 [1,1,0,0,0,0|2,0,0]=4 2341 B10R1.1 FCSc1ccc(cc1)Cl 62a_100000755918_100015361967 [1,1,0,0,0,0|2,0,0]=4 2342 B10R1.1 FCSc1ccc(cc1)Cl 62a_100015361967_100000755918 [1,1,0,0,0,0|2,0,0]=4 2343 B10R1.1 FCSc1ccc(cc1)F 62a_100000211213_100015361967 [1,1,0,0,0,0|2,0,0]=4 2344 B10R1.1 FCSc1ccc(cc1)F 62a_100015361967_100000211213 [1,1,0,0,0,0|2,0,0]=4 2345 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|0,0,2]=4 2346 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|0,0,1]=3 2347 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|1,0,1]=4 2348 B10R1.1 Nc1ccc(cc1)OCF 34a_100000185829_100015361967 [1,1,0,0,0,0|2,0,0]=4 2349 B10R1.1 Nc1ccc(cc1)SCF 62a_100000185761_100015361967 [1,1,0,0,0,0|2,0,0]=4 2350 B10R1.1 Nc1ccc(cc1)SCF 62a_100015361967_100000185761 [1,1,0,0,0,0|2,0,0]=4 2351 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|1,0,0]=3 2352 B10R1.1 O=c1ccc(c[nH]1)OCF 34a_100000075641_100015361967 [1,1,0,0,0,0|2,0,0]=4 2353 B10R1.1 O=c1ccc(c[nH]1)SCF 62a_100000212171_100015361967 [1,1,0,0,0,0|2,0,0]=4 2354 B10R1.1 O=c1ccc(c[nH]1)SCF 62a_100015361967_100000212171 [1,1,0,0,0,0|2,0,0]=4 2355 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|0,0,1]=3 2356 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,1,0,0,0,0|1,0,1]=4 2357 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [1,1,0,0,0,0|1,0,1]=4 2358 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|2,0,0]=4 2359 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,1,0,0,0,0|1,0,1]=4 2360 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,1,0,0,0,0|1,0,1]=4 2361 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|1,0,0]=3 2362 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|1,0,0]=3 2363 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|1,0,0]=3 2364 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|1,0,0]=3 2365 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|1,0,0]=3 2366 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|1,0,0]=3 2367 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|1,0,0]=3 2368 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|1,0,0]=3 2369 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|0,0,1]=3 2370 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2371 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [1,1,0,0,0,0|2,0,0]=4 2372 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [1,1,0,0,0,0|2,0,0]=4 2373 B10R1.1 [13CH3]NCc1ccc(nc1)Br 2230a_100009817727_200025704644 [1,1,0,0,0,0|2,0,0]=4 2374 B10R1.1 [13CH3]NCc1ccc(nc1)Br 34a_100009817727_200025704644 [1,1,0,0,0,0|2,0,0]=4 2375 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [1,1,0,0,0,0|2,0,0]=4 2376 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [1,1,0,0,0,0|2,0,0]=4 2377 B10R1.1 [13CH3]NCc1ccc(nc1)F 2230a_100000101913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2378 B10R1.1 [13CH3]NCc1ccc(nc1)F 34a_100000101913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2379 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [1,1,0,0,0,0|1,0,1]=4 2380 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 34a_100000031831_200025704644 [1,1,0,0,0,0|1,0,1]=4 2381 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 7a_100000031831_200025704644 [1,1,0,0,0,0|1,0,1]=4 2382 B10R1.1 [13CH3]OCc1ccc(=O)[nH]c1 34a_100011999846_200025704644 [1,1,0,0,0,0|1,0,0]=3 2383 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|1,0,0]=3 2384 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|1,0,0]=3 2385 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|1,0,0]=3 2386 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|1,0,0]=3 2387 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|1,0,0]=3 2388 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|1,0,0]=3 2389 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|1,0,0]=3 2390 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|1,0,0]=3 2391 B10R1.1 [13CH3]OCc1ccc(cn1)Br 34a_100000754261_200025704644 [1,1,0,0,0,0|2,0,0]=4 2392 B10R1.1 [13CH3]OCc1ccc(cn1)Cl 34a_100000703999_200025704644 [1,1,0,0,0,0|2,0,0]=4 2393 B10R1.1 [13CH3]OCc1ccc(cn1)F 34a_100011999454_200025704644 [1,1,0,0,0,0|2,0,0]=4 2394 B10R1.1 [13CH3]OCc1ccc(cn1)N 34a_100011998161_200025704644 [1,1,0,0,0,0|2,0,0]=4 2395 B10R1.1 [13CH3]OCc1ccc(nc1)Br 34a_100009816760_200025704644 [1,1,0,0,0,0|2,0,0]=4 2396 B10R1.1 [13CH3]OCc1ccc(nc1)Br 7a_100009816760_200025704644 [1,1,0,0,0,0|2,0,0]=4 2397 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 34a_100000755211_200025704644 [1,1,0,0,0,0|2,0,0]=4 2398 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 7a_100000755211_200025704644 [1,1,0,0,0,0|2,0,0]=4 2399 B10R1.1 [13CH3]OCc1ccc(nc1)F 34a_100000079959_200025704644 [1,1,0,0,0,0|2,0,0]=4 2400 B10R1.1 [13CH3]OCc1ccc(nc1)N 34a_100000704267_200025704644 [1,1,0,0,0,0|2,0,0]=4 2401 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|1,0,0]=3 2402 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|1,0,0]=3 2403 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|1,0,0]=3 2404 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|1,0,0]=3 2405 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|1,0,0]=3 2406 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|1,0,0]=3 2407 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|1,0,0]=3 2408 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|1,0,0]=3 2409 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_100000702658_200025704644 [1,1,0,0,0,0|2,0,0]=4 2410 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_200025704644_100000702658 [1,1,0,0,0,0|2,0,0]=4 2411 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_100012066911_200025704644 [1,1,0,0,0,0|2,0,0]=4 2412 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_200025704644_100000697101 [1,1,0,0,0,0|2,0,0]=4 2413 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_100000703193_200025704644 [1,1,0,0,0,0|2,0,0]=4 2414 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_200025704644_100000703193 [1,1,0,0,0,0|2,0,0]=4 2415 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_100009831999_200025704644 [1,1,0,0,0,0|2,0,0]=4 2416 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_200025704644_100009831999 [1,1,0,0,0,0|2,0,0]=4 2417 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_100000735431_200025704644 [1,1,0,0,0,0|2,0,0]=4 2418 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_200025704644_100000735431 [1,1,0,0,0,0|2,0,0]=4 2419 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_100009820150_200025704644 [1,1,0,0,0,0|2,0,0]=4 2420 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_200025704644_100000099788 [1,1,0,0,0,0|2,0,0]=4 2421 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [1,1,0,0,0,0|1,0,1]=4 2422 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|1,0,1]=4 2423 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|1,0,0]=3 2424 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|1,0,1]=4 2425 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|1,0,1]=4 2426 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|1,0,1]=4 2427 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|0,0,2]=4 2428 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|0,0,2]=4 2429 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,1,0,0,0,0|2,0,0]=4 2430 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,1,0,0,0,0|2,0,0]=4 2431 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|1,0,0]=3 2432 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|0,0,0]=2 2433 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|1,0,0]=3 2434 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|1,0,0]=3 2435 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|1,0,0]=3 2436 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|1,0,0]=3 2437 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|1,0,0]=3 2438 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|2,0,0]=4 2439 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|2,0,0]=4 2440 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,1,0,0,0,0|0,0,1]=3 2441 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [1,1,0,0,0,0|1,0,1]=4 2442 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [1,1,0,0,0,0|1,0,1]=4 2443 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [1,1,0,0,0,0|1,0,1]=4 2444 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|0,0,1]=3 2445 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,1,0,0,0,0|1,0,1]=4 2446 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,1,0,0,0,0|1,0,1]=4 2447 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [1,1,0,0,0,0|2,0,0]=4 2448 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [1,1,0,0,0,0|2,0,0]=4 2449 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [1,1,0,0,0,0|2,0,0]=4 2450 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [1,1,0,0,0,0|2,0,0]=4 2451 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [1,1,0,0,0,0|2,0,0]=4 2452 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [1,1,0,0,0,0|2,0,0]=4 2453 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [1,1,0,0,0,0|2,0,0]=4 2454 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [1,1,0,0,0,0|2,0,0]=4 2455 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [1,1,0,0,0,0|2,0,0]=4 2456 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [1,1,0,0,0,0|2,0,0]=4 2457 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [1,1,0,0,0,0|2,0,0]=4 2458 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [1,1,0,0,0,0|2,0,0]=4 2459 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,1,0,0,0,0|1,0,1]=4 2460 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,1,0,0,0,0|1,0,1]=4 2461 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,1,0,0,0,0|1,0,1]=4 2462 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [1,1,0,0,0,0|2,0,0]=4 2463 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [1,1,0,0,0,0|2,0,0]=4 2464 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [1,1,0,0,0,0|2,0,0]=4 2465 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [1,1,0,0,0,0|2,0,0]=4 2466 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [1,1,0,0,0,0|2,0,0]=4 2467 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [1,1,0,0,0,0|2,0,0]=4 2468 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [1,1,0,0,0,0|2,0,0]=4 2469 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [1,1,0,0,0,0|2,0,0]=4 2470 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [1,1,0,0,0,0|2,0,0]=4 2471 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [1,1,0,0,0,0|2,0,0]=4 2472 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [1,1,0,0,0,0|2,0,0]=4 2473 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [1,1,0,0,0,0|2,0,0]=4 2474 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,1,0,0,0,0|1,0,1]=4 2475 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,1,0,0,0,0|1,0,1]=4 2476 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|1,0,1]=4 2477 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,1,0,0,0,0|0,0,1]=3 2478 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,1,0,0,0,0|0,0,1]=3 2479 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [1,1,0,0,0,0|1,0,1]=4 2480 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|0,0,0]=2 2481 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,1,0,0,0,0|1,0,1]=4 2482 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,1,0,0,0,0|1,0,1]=4 2483 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,1,0,0,0,0|1,0,1]=4 2484 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,1,0,0,0,0|1,0,1]=4 2485 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,1,0,0,0,0|1,0,1]=4 2486 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,1,0,0,0,0|1,0,1]=4 2487 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|1,0,0]=3 2488 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,1,0,0,0,0|2,0,0]=4 2489 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|2,0,0]=4 2490 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,1,0,0,0,0|1,0,1]=4 2491 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|1,0,0]=3 2492 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|1,0,0]=3 2493 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|1,0,0]=3 2494 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|1,0,0]=3 2495 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|1,0,0]=3 2496 B10R1.25 C=Cc1ccc(c[n+]1[O-])C 271570a_100011290941_100009819918 [1,1,0,0,0,0|2,0,0]=4 2497 B10R1.25 C=Cc1ccc(cc1Br)Br 271570a_100011290941_100011484698 [1,1,0,0,0,0|2,0,0]=4 2498 B10R1.25 C=Cc1ccc(cc1Br)C 271570a_100011290941_100009813563 [1,1,0,0,0,0|1,0,0]=3 2499 B10R1.25 C=Cc1ccc(cc1Br)Cl 271570a_100011290941_100011219703 [1,1,0,0,0,0|2,0,0]=4 2500 B10R1.25 C=Cc1ccc(cc1Br)F 271570a_100011290941_100011217111 [1,1,0,0,0,0|2,0,0]=4 2501 B10R1.25 C=Cc1ccc(cc1Br)N 271570a_100011290941_100000750458 [1,1,0,0,0,0|2,0,0]=4 2502 B10R1.25 C=Cc1ccc(cc1Br)O 271570a_100011290941_100000701344 [1,1,0,0,0,0|2,0,0]=4 2503 B10R1.25 C=Cc1ccc(cc1C)Br 271570a_100011290941_100000701812 [1,1,0,0,0,0|2,0,0]=4 2504 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [1,1,0,0,0,0|1,0,0]=3 2505 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [1,1,0,0,0,0|2,0,0]=4 2506 B10R1.25 C=Cc1ccc(cc1C)F 271570a_100011290941_100011205405 [1,1,0,0,0,0|2,0,0]=4 2507 B10R1.25 C=Cc1ccc(cc1C)N 271570a_100011290941_100000210723 [1,1,0,0,0,0|2,0,0]=4 2508 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,1,0,0,0,0|2,0,0]=4 2509 B10R1.25 C=Cc1ccc(cc1Cl)Br 271570a_100011290941_100011216062 [1,1,0,0,0,0|2,0,0]=4 2510 B10R1.25 C=Cc1ccc(cc1Cl)C 271570a_100011290941_100011263221 [1,1,0,0,0,0|1,0,0]=3 2511 B10R1.25 C=Cc1ccc(cc1Cl)Cl 271570a_100011290941_100000699841 [1,1,0,0,0,0|2,0,0]=4 2512 B10R1.25 C=Cc1ccc(cc1Cl)F 271570a_100011290941_100000733362 [1,1,0,0,0,0|2,0,0]=4 2513 B10R1.25 C=Cc1ccc(cc1Cl)N 271570a_100011290941_100000761885 [1,1,0,0,0,0|2,0,0]=4 2514 B10R1.25 C=Cc1ccc(cc1Cl)O 271570a_100011290941_100000047559 [1,1,0,0,0,0|2,0,0]=4 2515 B10R1.25 C=Cc1ccc(cc1F)Br 271570a_100011290941_100009814013 [1,1,0,0,0,0|2,0,0]=4 2516 B10R1.25 C=Cc1ccc(cc1F)C 271570a_100011290941_100011216119 [1,1,0,0,0,0|1,0,0]=3 2517 B10R1.25 C=Cc1ccc(cc1F)Cl 271570a_100011290941_100011216042 [1,1,0,0,0,0|2,0,0]=4 2518 B10R1.25 C=Cc1ccc(cc1F)F 271570a_100011290941_100000750030 [1,1,0,0,0,0|2,0,0]=4 2519 B10R1.25 C=Cc1ccc(cc1F)N 271570a_100011290941_100011356925 [1,1,0,0,0,0|2,0,0]=4 2520 B10R1.25 C=Cc1ccc(cc1F)O 271570a_100011290941_100000755031 [1,1,0,0,0,0|2,0,0]=4 2521 B10R1.25 C=Cc1ccc(cc1N)Br 271570a_100011290941_100000743836 [1,1,0,0,0,0|2,0,0]=4 2522 B10R1.25 C=Cc1ccc(cc1N)C 271570a_100011290941_100011216686 [1,1,0,0,0,0|1,0,0]=3 2523 B10R1.25 C=Cc1ccc(cc1N)Cl 271570a_100011290941_100000761886 [1,1,0,0,0,0|2,0,0]=4 2524 B10R1.25 C=Cc1ccc(cc1N)F 271570a_100011290941_100011218093 [1,1,0,0,0,0|2,0,0]=4 2525 B10R1.25 C=Cc1ccc(cc1N)N 271570a_100011290941_200012175722 [1,1,0,0,0,0|2,0,0]=4 2526 B10R1.25 C=Cc1ccc(cc1N)O 271570a_100011290941_100011999798 [1,1,0,0,0,0|2,0,0]=4 2527 B10R1.25 C=Cc1ccc(cc1O)Br 271570a_100011290941_100012344904 [1,1,0,0,0,0|2,0,0]=4 2528 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [1,1,0,0,0,0|1,0,0]=3 2529 B10R1.25 C=Cc1ccc(cc1O)Cl 271570a_100011290941_100000050036 [1,1,0,0,0,0|2,0,0]=4 2530 B10R1.25 C=Cc1ccc(cc1O)F 271570a_100011290941_100000690578 [1,1,0,0,0,0|2,0,0]=4 2531 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,1,0,0,0,0|2,0,0]=4 2532 B10R1.25 C=Cc1ccc(nc1C)C 271570a_100011290941_100009813853 [1,1,0,0,0,0|2,0,0]=4 2533 B10R1.25 C=Cc1ccc(nc1F)C 271570a_100011290941_100010006597 [1,1,0,0,0,0|2,0,0]=4 2534 B10R1.25 C=Cc1ccc(nc1N)C 271570a_100011290941_100009816662 [1,1,0,0,0,0|2,0,0]=4 2535 B10R1.25 C=Cc1ccc(nc1O)C 271570a_100011290941_100009817604 [1,1,0,0,0,0|2,0,0]=4 2536 B10R1.25 C=Cc1cnc(cc1C)C 271570a_100011290941_100009819613 [1,1,0,0,0,0|2,0,0]=4 2537 B10R1.25 C=Cc1cnc(cc1N)C 271570a_100011290941_100009817891 [1,1,0,0,0,0|2,0,0]=4 2538 B10R1.25 C=Cc1cnc(cc1O)C 271570a_100011290941_100011016184 [1,1,0,0,0,0|2,0,0]=4 2539 B10R1.25 C=Cc1ncc(cc1C)C 271570a_100011290941_100009864548 [1,1,0,0,0,0|2,0,0]=4 2540 B10R1.25 C=Cc1ncc(cc1F)C 271570a_100011290941_100009819633 [1,1,0,0,0,0|2,0,0]=4 2541 B10R1.25 C=Cc1ncc(cc1N)C 271570a_100011290941_100000733613 [1,1,0,0,0,0|2,0,0]=4 2542 B10R1.25 C=Cc1ncc(cc1O)C 271570a_100011290941_100012000487 [1,1,0,0,0,0|2,0,0]=4 2543 B10R1.25 CCc1ccc(cc1F)O 271570a_203496583355_200010071577 [1,1,0,0,0,0|0,0,1]=3 2544 B10R1.25 CCc1ccc(cc1N)O 271570a_203496583355_100012354963 [1,1,0,0,0,0|0,0,1]=3 2545 B10R1.25 CCc1cnc(cc1O)C 271570a_203496583355_100010291839 [1,1,0,0,0,0|1,0,1]=4 2546 B10R1.25 CCc1ncc(cc1O)N 271570a_203496583355_100013085292 [1,1,0,0,0,0|2,0,0]=4 2547 B10R1.25 CNc1ccc(cc1Br)Br 34a_100000211012_200000210301 [1,1,0,0,0,0|2,0,0]=4 2548 B10R1.25 CNc1ccc(cc1Br)C 34a_100000210942_200000210301 [1,1,0,0,0,0|1,0,1]=4 2549 B10R1.25 CNc1ccc(cc1Br)Cl 34a_100000752454_200000210301 [1,1,0,0,0,0|2,0,0]=4 2550 B10R1.25 CNc1ccc(cc1Br)F 34a_100000738039_200000210301 [1,1,0,0,0,0|2,0,0]=4 2551 B10R1.25 CNc1ccc(cc1Br)O 34a_100012001276_200000210301 [1,1,0,0,0,0|1,0,1]=4 2552 B10R1.25 CNc1ccc(cc1C)Br 34a_100000211769_200000210301 [1,1,0,0,0,0|2,0,0]=4 2553 B10R1.25 CNc1ccc(cc1C)Br 7a_100000211769_200000210301 [1,1,0,0,0,0|2,0,0]=4 2554 B10R1.25 CNc1ccc(cc1C)C 34a_100000736561_200000210301 [1,1,0,0,0,0|1,0,1]=4 2555 B10R1.25 CNc1ccc(cc1C)C 7a_100000736561_200000210301 [1,1,0,0,0,0|1,0,1]=4 2556 B10R1.25 CNc1ccc(cc1C)Cl 34a_100000210418_200000210301 [1,1,0,0,0,0|2,0,0]=4 2557 B10R1.25 CNc1ccc(cc1C)Cl 7a_100000210418_200000210301 [1,1,0,0,0,0|2,0,0]=4 2558 B10R1.25 CNc1ccc(cc1C)F 34a_100000211637_200000210301 [1,1,0,0,0,0|2,0,0]=4 2559 B10R1.25 CNc1ccc(cc1C)F 7a_100000211637_200000210301 [1,1,0,0,0,0|2,0,0]=4 2560 B10R1.25 CNc1ccc(cc1C)I 34a_100000184554_200000210301 [1,1,0,0,0,0|2,0,0]=4 2561 B10R1.25 CNc1ccc(cc1C)I 7a_100000184554_200000210301 [1,1,0,0,0,0|2,0,0]=4 2562 B10R1.25 CNc1ccc(cc1C)O 271570a_203496583355_100000221803 [1,1,0,0,0,0|1,0,1]=4 2563 B10R1.25 CNc1ccc(cc1C)O 34a_100000756630_200000210301 [1,1,0,0,0,0|1,0,1]=4 2564 B10R1.25 CNc1ccc(cc1Cl)Br 34a_100000211467_200000210301 [1,1,0,0,0,0|2,0,0]=4 2565 B10R1.25 CNc1ccc(cc1Cl)C 34a_100000210522_200000210301 [1,1,0,0,0,0|1,0,1]=4 2566 B10R1.25 CNc1ccc(cc1Cl)Cl 34a_100000185861_200000210301 [1,1,0,0,0,0|2,0,0]=4 2567 B10R1.25 CNc1ccc(cc1Cl)F 34a_100000212003_200000210301 [1,1,0,0,0,0|2,0,0]=4 2568 B10R1.25 CNc1ccc(cc1Cl)I 34a_100011218065_200000210301 [1,1,0,0,0,0|2,0,0]=4 2569 B10R1.25 CNc1ccc(cc1Cl)O 34a_100011215599_200000210301 [1,1,0,0,0,0|1,0,1]=4 2570 B10R1.25 CNc1ccc(cc1F)Br 34a_100000210722_200000210301 [1,1,0,0,0,0|2,0,0]=4 2571 B10R1.25 CNc1ccc(cc1F)C 34a_100000211023_200000210301 [1,1,0,0,0,0|1,0,1]=4 2572 B10R1.25 CNc1ccc(cc1F)Cl 34a_100000211020_200000210301 [1,1,0,0,0,0|2,0,0]=4 2573 B10R1.25 CNc1ccc(cc1F)F 34a_100000210720_200000210301 [1,1,0,0,0,0|2,0,0]=4 2574 B10R1.25 CNc1ccc(cc1F)I 34a_100011215594_200000210301 [1,1,0,0,0,0|2,0,0]=4 2575 B10R1.25 CNc1ccc(cc1F)O 271570a_203496583355_100000743884 [1,1,0,0,0,0|1,0,1]=4 2576 B10R1.25 CNc1ccc(cc1F)O 34a_100000759473_200000210301 [1,1,0,0,0,0|1,0,1]=4 2577 B10R1.25 CNc1ccc(cc1I)Br 34a_100000187925_200000210301 [1,1,0,0,0,0|2,0,0]=4 2578 B10R1.25 CNc1ccc(cc1I)C 34a_100011356834_200000210301 [1,1,0,0,0,0|1,0,1]=4 2579 B10R1.25 CNc1ccc(cc1I)Cl 34a_100000761889_200000210301 [1,1,0,0,0,0|2,0,0]=4 2580 B10R1.25 CNc1ccc(cc1I)F 34a_100000760547_200000210301 [1,1,0,0,0,0|2,0,0]=4 2581 B10R1.25 CNc1ccc(cc1I)O 34a_100010084370_200000210301 [1,1,0,0,0,0|1,0,1]=4 2582 B10R1.25 CNc1ccc(cc1N)O 271570a_203496583355_100000741790 [1,1,0,0,0,0|1,0,1]=4 2583 B10R1.25 CNc1ccc(cc1O)Br 34a_100000739049_200000210301 [1,1,0,0,0,0|2,0,0]=4 2584 B10R1.25 CNc1ccc(cc1O)C 271570a_203496583355_100000221369 [1,1,0,0,0,0|1,0,1]=4 2585 B10R1.25 CNc1ccc(cc1O)C 34a_100000211527_200000210301 [1,1,0,0,0,0|1,0,1]=4 2586 B10R1.25 CNc1ccc(cc1O)Cl 34a_100000185728_200000210301 [1,1,0,0,0,0|2,0,0]=4 2587 B10R1.25 CNc1ccc(cc1O)F 271570a_203496583355_100011246292 [1,1,0,0,0,0|2,0,0]=4 2588 B10R1.25 CNc1ccc(cc1O)F 34a_100000753323_200000210301 [1,1,0,0,0,0|2,0,0]=4 2589 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,1,0,0,0,0|1,0,1]=4 2590 B10R1.25 COc1c[nH]c(=O)cc1O 271570a_203496583355_100121573661 [1,1,0,0,0,0|2,0,0]=4 2591 B10R1.25 COc1ccc(cc1Br)Br 34a_100000188717_200000210301 [1,1,0,0,0,0|2,0,0]=4 2592 B10R1.25 COc1ccc(cc1Br)Br 7a_100000188717_200000210301 [1,1,0,0,0,0|2,0,0]=4 2593 B10R1.25 COc1ccc(cc1Br)C 34a_100000210800_200000210301 [1,1,0,0,0,0|1,0,1]=4 2594 B10R1.25 COc1ccc(cc1Br)C 7a_100000210800_200000210301 [1,1,0,0,0,0|1,0,1]=4 2595 B10R1.25 COc1ccc(cc1Br)Cl 34a_100000211998_200000210301 [1,1,0,0,0,0|2,0,0]=4 2596 B10R1.25 COc1ccc(cc1Br)Cl 7a_100000211998_200000210301 [1,1,0,0,0,0|2,0,0]=4 2597 B10R1.25 COc1ccc(cc1Br)F 34a_100000211999_200000210301 [1,1,0,0,0,0|2,0,0]=4 2598 B10R1.25 COc1ccc(cc1Br)F 7a_100000211999_200000210301 [1,1,0,0,0,0|2,0,0]=4 2599 B10R1.25 COc1ccc(cc1Br)I 34a_100012361655_200000210301 [1,1,0,0,0,0|2,0,0]=4 2600 B10R1.25 COc1ccc(cc1Br)I 7a_100012361655_200000210301 [1,1,0,0,0,0|2,0,0]=4 2601 B10R1.25 COc1ccc(cc1Br)N 34a_100011534360_200000210301 [1,1,0,0,0,0|2,0,0]=4 2602 B10R1.25 COc1ccc(cc1Br)N 7a_100011534360_200000210301 [1,1,0,0,0,0|2,0,0]=4 2603 B10R1.25 COc1ccc(cc1Br)O 271570a_203496583355_100011249507 [1,1,0,0,0,0|1,0,1]=4 2604 B10R1.25 COc1ccc(cc1C)Br 34a_100000186361_200000210301 [1,1,0,0,0,0|2,0,0]=4 2605 B10R1.25 COc1ccc(cc1C)Br 7a_100000186361_200000210301 [1,1,0,0,0,0|2,0,0]=4 2606 B10R1.25 COc1ccc(cc1C)C 34a_100000211776_200000210301 [1,1,0,0,0,0|1,0,1]=4 2607 B10R1.25 COc1ccc(cc1C)C 7a_100000211776_200000210301 [1,1,0,0,0,0|1,0,1]=4 2608 B10R1.25 COc1ccc(cc1C)Cl 34a_100000211091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2609 B10R1.25 COc1ccc(cc1C)Cl 7a_100000211091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2610 B10R1.25 COc1ccc(cc1C)F 34a_100000764316_200000210301 [1,1,0,0,0,0|2,0,0]=4 2611 B10R1.25 COc1ccc(cc1C)F 7a_100000764316_200000210301 [1,1,0,0,0,0|2,0,0]=4 2612 B10R1.25 COc1ccc(cc1C)I 34a_100011218673_200000210301 [1,1,0,0,0,0|2,0,0]=4 2613 B10R1.25 COc1ccc(cc1C)I 7a_100011218673_200000210301 [1,1,0,0,0,0|2,0,0]=4 2614 B10R1.25 COc1ccc(cc1C)N 34a_100011218179_200000210301 [1,1,0,0,0,0|2,0,0]=4 2615 B10R1.25 COc1ccc(cc1C)N 7a_100011218179_200000210301 [1,1,0,0,0,0|2,0,0]=4 2616 B10R1.25 COc1ccc(cc1C)O 271570a_203496583355_100011219705 [1,1,0,0,0,0|1,0,1]=4 2617 B10R1.25 COc1ccc(cc1Cl)Br 34a_100000186472_200000210301 [1,1,0,0,0,0|2,0,0]=4 2618 B10R1.25 COc1ccc(cc1Cl)Br 7a_100000186472_200000210301 [1,1,0,0,0,0|2,0,0]=4 2619 B10R1.25 COc1ccc(cc1Cl)C 34a_100000749699_200000210301 [1,1,0,0,0,0|1,0,1]=4 2620 B10R1.25 COc1ccc(cc1Cl)C 7a_100000749699_200000210301 [1,1,0,0,0,0|1,0,1]=4 2621 B10R1.25 COc1ccc(cc1Cl)Cl 34a_100015191787_200000210301 [1,1,0,0,0,0|2,0,0]=4 2622 B10R1.25 COc1ccc(cc1Cl)Cl 7a_100015191787_200000210301 [1,1,0,0,0,0|2,0,0]=4 2623 B10R1.25 COc1ccc(cc1Cl)F 34a_100000212004_200000210301 [1,1,0,0,0,0|2,0,0]=4 2624 B10R1.25 COc1ccc(cc1Cl)F 7a_100000212004_200000210301 [1,1,0,0,0,0|2,0,0]=4 2625 B10R1.25 COc1ccc(cc1Cl)I 34a_100012360047_200000210301 [1,1,0,0,0,0|2,0,0]=4 2626 B10R1.25 COc1ccc(cc1Cl)I 7a_100012360047_200000210301 [1,1,0,0,0,0|2,0,0]=4 2627 B10R1.25 COc1ccc(cc1Cl)N 34a_100000744943_200000210301 [1,1,0,0,0,0|2,0,0]=4 2628 B10R1.25 COc1ccc(cc1Cl)N 7a_100000744943_200000210301 [1,1,0,0,0,0|2,0,0]=4 2629 B10R1.25 COc1ccc(cc1Cl)O 271570a_203496583355_100012355395 [1,1,0,0,0,0|1,0,1]=4 2630 B10R1.25 COc1ccc(cc1F)Br 34a_100000185481_200000210301 [1,1,0,0,0,0|2,0,0]=4 2631 B10R1.25 COc1ccc(cc1F)Br 7a_100000185481_200000210301 [1,1,0,0,0,0|2,0,0]=4 2632 B10R1.25 COc1ccc(cc1F)C 34a_100011216688_200000210301 [1,1,0,0,0,0|1,0,1]=4 2633 B10R1.25 COc1ccc(cc1F)C 7a_100011216688_200000210301 [1,1,0,0,0,0|1,0,1]=4 2634 B10R1.25 COc1ccc(cc1F)Cl 34a_100000230166_200000210301 [1,1,0,0,0,0|2,0,0]=4 2635 B10R1.25 COc1ccc(cc1F)Cl 7a_100000230166_200000210301 [1,1,0,0,0,0|2,0,0]=4 2636 B10R1.25 COc1ccc(cc1F)F 34a_100000230127_200000210301 [1,1,0,0,0,0|2,0,0]=4 2637 B10R1.25 COc1ccc(cc1F)F 7a_100000230127_200000210301 [1,1,0,0,0,0|2,0,0]=4 2638 B10R1.25 COc1ccc(cc1F)I 34a_100011356965_200000210301 [1,1,0,0,0,0|2,0,0]=4 2639 B10R1.25 COc1ccc(cc1F)I 7a_100011356965_200000210301 [1,1,0,0,0,0|2,0,0]=4 2640 B10R1.25 COc1ccc(cc1F)N 34a_100011220035_200000210301 [1,1,0,0,0,0|2,0,0]=4 2641 B10R1.25 COc1ccc(cc1F)N 7a_100011220035_200000210301 [1,1,0,0,0,0|2,0,0]=4 2642 B10R1.25 COc1ccc(cc1F)O 271570a_203496583355_100000185480 [1,1,0,0,0,0|1,0,1]=4 2643 B10R1.25 COc1ccc(cc1I)Br 34a_100012355227_200000210301 [1,1,0,0,0,0|2,0,0]=4 2644 B10R1.25 COc1ccc(cc1I)Br 7a_100012355227_200000210301 [1,1,0,0,0,0|2,0,0]=4 2645 B10R1.25 COc1ccc(cc1I)C 34a_100000765521_200000210301 [1,1,0,0,0,0|1,0,1]=4 2646 B10R1.25 COc1ccc(cc1I)C 7a_100000765521_200000210301 [1,1,0,0,0,0|1,0,1]=4 2647 B10R1.25 COc1ccc(cc1I)Cl 34a_100011356953_200000210301 [1,1,0,0,0,0|2,0,0]=4 2648 B10R1.25 COc1ccc(cc1I)Cl 7a_100011356953_200000210301 [1,1,0,0,0,0|2,0,0]=4 2649 B10R1.25 COc1ccc(cc1I)F 34a_100012355409_200000210301 [1,1,0,0,0,0|2,0,0]=4 2650 B10R1.25 COc1ccc(cc1I)F 7a_100012355409_200000210301 [1,1,0,0,0,0|2,0,0]=4 2651 B10R1.25 COc1ccc(cc1I)I 7a_100010001573_200000210301 [1,1,0,0,0,0|2,0,0]=4 2652 B10R1.25 COc1ccc(cc1N)Br 34a_100000752626_200000210301 [1,1,0,0,0,0|2,0,0]=4 2653 B10R1.25 COc1ccc(cc1N)Br 7a_100000752626_200000210301 [1,1,0,0,0,0|2,0,0]=4 2654 B10R1.25 COc1ccc(cc1N)C 34a_100011215204_200000210301 [1,1,0,0,0,0|1,0,1]=4 2655 B10R1.25 COc1ccc(cc1N)C 7a_100011215204_200000210301 [1,1,0,0,0,0|1,0,1]=4 2656 B10R1.25 COc1ccc(cc1N)Cl 34a_100000210500_200000210301 [1,1,0,0,0,0|2,0,0]=4 2657 B10R1.25 COc1ccc(cc1N)Cl 7a_100000210500_200000210301 [1,1,0,0,0,0|2,0,0]=4 2658 B10R1.25 COc1ccc(cc1N)F 34a_100000759472_200000210301 [1,1,0,0,0,0|2,0,0]=4 2659 B10R1.25 COc1ccc(cc1N)F 7a_100000759472_200000210301 [1,1,0,0,0,0|2,0,0]=4 2660 B10R1.25 COc1ccc(cc1N)I 34a_100000753495_200000210301 [1,1,0,0,0,0|2,0,0]=4 2661 B10R1.25 COc1ccc(cc1N)I 7a_100000753495_200000210301 [1,1,0,0,0,0|2,0,0]=4 2662 B10R1.25 COc1ccc(cc1N)N 34a_100000725306_200000210301 [1,1,0,0,0,0|2,0,0]=4 2663 B10R1.25 COc1ccc(cc1N)O 271570a_203496583355_100000743470 [1,1,0,0,0,0|1,0,1]=4 2664 B10R1.25 COc1ccc(cc1O)Br 271570a_203496583355_100012351588 [1,1,0,0,0,0|2,0,0]=4 2665 B10R1.25 COc1ccc(cc1O)C 271570a_203496583355_100000186399 [1,1,0,0,0,0|1,0,1]=4 2666 B10R1.25 COc1ccc(cc1O)Cl 271570a_203496583355_100011215930 [1,1,0,0,0,0|2,0,0]=4 2667 B10R1.25 COc1ccc(cc1O)F 271570a_203496583355_100000171694 [1,1,0,0,0,0|2,0,0]=4 2668 B10R1.25 COc1ccc(cc1O)N 271570a_203496583355_100000187427 [1,1,0,0,0,0|2,0,0]=4 2669 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,1,0,0,0,0|1,0,1]=4 2670 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,1,0,0,0,0|1,0,1]=4 2671 B10R1.25 CSc1c[nH]c(=O)cc1F 62a_100015631685_200000210301 [1,1,0,0,0,0|2,0,0]=4 2672 B10R1.25 CSc1c[nH]c(=O)cc1F 62a_200000210301_100015631685 [1,1,0,0,0,0|2,0,0]=4 2673 B10R1.25 CSc1ccc(=O)[nH]c1N 62a_100009884077_200000210301 [1,1,0,0,0,0|2,0,0]=4 2674 B10R1.25 CSc1ccc(cc1Br)Br 62a_100011484698_200000210301 [1,1,0,0,0,0|2,0,0]=4 2675 B10R1.25 CSc1ccc(cc1Br)Br 62a_200000210301_100011484698 [1,1,0,0,0,0|2,0,0]=4 2676 B10R1.25 CSc1ccc(cc1Br)C 62a_100009813563_200000210301 [1,1,0,0,0,0|1,0,1]=4 2677 B10R1.25 CSc1ccc(cc1Br)C 62a_200000210301_100009813563 [1,1,0,0,0,0|1,0,1]=4 2678 B10R1.25 CSc1ccc(cc1Br)Cl 62a_100011219703_200000210301 [1,1,0,0,0,0|2,0,0]=4 2679 B10R1.25 CSc1ccc(cc1Br)Cl 62a_200000210301_100011219703 [1,1,0,0,0,0|2,0,0]=4 2680 B10R1.25 CSc1ccc(cc1Br)F 62a_100011217111_200000210301 [1,1,0,0,0,0|2,0,0]=4 2681 B10R1.25 CSc1ccc(cc1Br)F 62a_200000210301_100011217111 [1,1,0,0,0,0|2,0,0]=4 2682 B10R1.25 CSc1ccc(cc1Br)N 62a_100000750458_200000210301 [1,1,0,0,0,0|2,0,0]=4 2683 B10R1.25 CSc1ccc(cc1Br)N 62a_200000210301_100000750458 [1,1,0,0,0,0|2,0,0]=4 2684 B10R1.25 CSc1ccc(cc1Br)O 62a_100000701344_200000210301 [1,1,0,0,0,0|1,0,1]=4 2685 B10R1.25 CSc1ccc(cc1Br)O 62a_200000210301_100000701344 [1,1,0,0,0,0|1,0,1]=4 2686 B10R1.25 CSc1ccc(cc1C)Br 62a_100000701812_200000210301 [1,1,0,0,0,0|2,0,0]=4 2687 B10R1.25 CSc1ccc(cc1C)Br 62a_200000210301_100000701812 [1,1,0,0,0,0|2,0,0]=4 2688 B10R1.25 CSc1ccc(cc1C)C 62a_100011217332_200000210301 [1,1,0,0,0,0|1,0,1]=4 2689 B10R1.25 CSc1ccc(cc1C)C 62a_200000210301_100011217332 [1,1,0,0,0,0|1,0,1]=4 2690 B10R1.25 CSc1ccc(cc1C)Cl 62a_100011219607_200000210301 [1,1,0,0,0,0|2,0,0]=4 2691 B10R1.25 CSc1ccc(cc1C)Cl 62a_200000210301_100011219607 [1,1,0,0,0,0|2,0,0]=4 2692 B10R1.25 CSc1ccc(cc1C)F 62a_100011205405_200000210301 [1,1,0,0,0,0|2,0,0]=4 2693 B10R1.25 CSc1ccc(cc1C)F 62a_200000210301_100011205405 [1,1,0,0,0,0|2,0,0]=4 2694 B10R1.25 CSc1ccc(cc1C)N 62a_100000210723_200000210301 [1,1,0,0,0,0|2,0,0]=4 2695 B10R1.25 CSc1ccc(cc1C)N 62a_200000210301_100000210723 [1,1,0,0,0,0|2,0,0]=4 2696 B10R1.25 CSc1ccc(cc1C)O 62a_200000210301_100000690111 [1,1,0,0,0,0|1,0,1]=4 2697 B10R1.25 CSc1ccc(cc1Cl)Br 62a_100011216062_200000210301 [1,1,0,0,0,0|2,0,0]=4 2698 B10R1.25 CSc1ccc(cc1Cl)Br 62a_200000210301_100011216062 [1,1,0,0,0,0|2,0,0]=4 2699 B10R1.25 CSc1ccc(cc1Cl)C 62a_100011263221_200000210301 [1,1,0,0,0,0|1,0,1]=4 2700 B10R1.25 CSc1ccc(cc1Cl)C 62a_200000210301_100011263221 [1,1,0,0,0,0|1,0,1]=4 2701 B10R1.25 CSc1ccc(cc1Cl)Cl 62a_100000699841_200000210301 [1,1,0,0,0,0|2,0,0]=4 2702 B10R1.25 CSc1ccc(cc1Cl)Cl 62a_200000210301_100000699841 [1,1,0,0,0,0|2,0,0]=4 2703 B10R1.25 CSc1ccc(cc1Cl)F 62a_100000733362_200000210301 [1,1,0,0,0,0|2,0,0]=4 2704 B10R1.25 CSc1ccc(cc1Cl)F 62a_200000210301_100000733362 [1,1,0,0,0,0|2,0,0]=4 2705 B10R1.25 CSc1ccc(cc1Cl)N 62a_100000761885_200000210301 [1,1,0,0,0,0|2,0,0]=4 2706 B10R1.25 CSc1ccc(cc1Cl)N 62a_200000210301_100000761885 [1,1,0,0,0,0|2,0,0]=4 2707 B10R1.25 CSc1ccc(cc1Cl)O 271570a_203496583355_206447510565 [1,1,0,0,0,0|1,0,1]=4 2708 B10R1.25 CSc1ccc(cc1Cl)O 62a_100000047559_200000210301 [1,1,0,0,0,0|1,0,1]=4 2709 B10R1.25 CSc1ccc(cc1Cl)O 62a_200000210301_100000047559 [1,1,0,0,0,0|1,0,1]=4 2710 B10R1.25 CSc1ccc(cc1F)Br 62a_100009814013_200000210301 [1,1,0,0,0,0|2,0,0]=4 2711 B10R1.25 CSc1ccc(cc1F)Br 62a_200000210301_100009814013 [1,1,0,0,0,0|2,0,0]=4 2712 B10R1.25 CSc1ccc(cc1F)C 62a_100011216119_200000210301 [1,1,0,0,0,0|1,0,1]=4 2713 B10R1.25 CSc1ccc(cc1F)C 62a_200000210301_100011216119 [1,1,0,0,0,0|1,0,1]=4 2714 B10R1.25 CSc1ccc(cc1F)Cl 62a_100011216042_200000210301 [1,1,0,0,0,0|2,0,0]=4 2715 B10R1.25 CSc1ccc(cc1F)Cl 62a_200000210301_100011216042 [1,1,0,0,0,0|2,0,0]=4 2716 B10R1.25 CSc1ccc(cc1F)F 62a_100000750030_200000210301 [1,1,0,0,0,0|2,0,0]=4 2717 B10R1.25 CSc1ccc(cc1F)F 62a_200000210301_100000750030 [1,1,0,0,0,0|2,0,0]=4 2718 B10R1.25 CSc1ccc(cc1F)N 62a_100011356925_200000210301 [1,1,0,0,0,0|2,0,0]=4 2719 B10R1.25 CSc1ccc(cc1F)N 62a_200000210301_100011356925 [1,1,0,0,0,0|2,0,0]=4 2720 B10R1.25 CSc1ccc(cc1F)O 271570a_203496583355_100010161220 [1,1,0,0,0,0|1,0,1]=4 2721 B10R1.25 CSc1ccc(cc1F)O 62a_100000755031_200000210301 [1,1,0,0,0,0|1,0,1]=4 2722 B10R1.25 CSc1ccc(cc1F)O 62a_200000210301_100000755031 [1,1,0,0,0,0|1,0,1]=4 2723 B10R1.25 CSc1ccc(cc1N)Br 62a_100000743836_200000210301 [1,1,0,0,0,0|2,0,0]=4 2724 B10R1.25 CSc1ccc(cc1N)Br 62a_200000210301_100000743836 [1,1,0,0,0,0|2,0,0]=4 2725 B10R1.25 CSc1ccc(cc1N)C 62a_100011216686_200000210301 [1,1,0,0,0,0|1,0,1]=4 2726 B10R1.25 CSc1ccc(cc1N)C 62a_200000210301_100011216686 [1,1,0,0,0,0|1,0,1]=4 2727 B10R1.25 CSc1ccc(cc1N)Cl 62a_100000761886_200000210301 [1,1,0,0,0,0|2,0,0]=4 2728 B10R1.25 CSc1ccc(cc1N)Cl 62a_200000210301_100000761886 [1,1,0,0,0,0|2,0,0]=4 2729 B10R1.25 CSc1ccc(cc1N)F 62a_100000687223_200000210301 [1,1,0,0,0,0|2,0,0]=4 2730 B10R1.25 CSc1ccc(cc1N)F 62a_200000210301_100000687223 [1,1,0,0,0,0|2,0,0]=4 2731 B10R1.25 CSc1ccc(cc1N)N 62a_200000210301_200012175722 [1,1,0,0,0,0|2,0,0]=4 2732 B10R1.25 CSc1ccc(cc1N)N 62a_200012175722_200000210301 [1,1,0,0,0,0|2,0,0]=4 2733 B10R1.25 CSc1ccc(cc1N)O 62a_100011999798_200000210301 [1,1,0,0,0,0|1,0,1]=4 2734 B10R1.25 CSc1ccc(cc1N)O 62a_200000210301_100011999798 [1,1,0,0,0,0|1,0,1]=4 2735 B10R1.25 CSc1ccc(cc1O)Br 62a_100012344904_200000210301 [1,1,0,0,0,0|2,0,0]=4 2736 B10R1.25 CSc1ccc(cc1O)Br 62a_200000210301_100012344904 [1,1,0,0,0,0|2,0,0]=4 2737 B10R1.25 CSc1ccc(cc1O)C 271570a_203496583355_200010201864 [1,1,0,0,0,0|1,0,1]=4 2738 B10R1.25 CSc1ccc(cc1O)C 62a_100012002257_200000210301 [1,1,0,0,0,0|1,0,1]=4 2739 B10R1.25 CSc1ccc(cc1O)C 62a_200000210301_100012002257 [1,1,0,0,0,0|1,0,1]=4 2740 B10R1.25 CSc1ccc(cc1O)Cl 62a_100000050036_200000210301 [1,1,0,0,0,0|2,0,0]=4 2741 B10R1.25 CSc1ccc(cc1O)Cl 62a_200000210301_100000050036 [1,1,0,0,0,0|2,0,0]=4 2742 B10R1.25 CSc1ccc(cc1O)F 271570a_203496583355_100009817003 [1,1,0,0,0,0|2,0,0]=4 2743 B10R1.25 CSc1ccc(cc1O)F 62a_100000690578_200000210301 [1,1,0,0,0,0|2,0,0]=4 2744 B10R1.25 CSc1ccc(cc1O)F 62a_200000210301_100000690578 [1,1,0,0,0,0|2,0,0]=4 2745 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,1,0,0,0,0|1,0,1]=4 2746 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,1,0,0,0,0|1,0,0]=3 2747 B10R1.25 Cc1cc(ccc1CF)O 271570a_203496583355_200010711859 [1,1,0,0,0,0|1,0,1]=4 2748 B10R1.25 Cc1cc(ccc1CN)O 271570a_203496583355_100000753881 [1,1,0,0,0,0|1,0,1]=4 2749 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,1,0,0,0,0|1,0,1]=4 2750 B10R1.25 Cc1cc(ccc1N[13CH3])Br 34a_100000211769_200025704644 [1,1,0,0,0,0|2,0,0]=4 2751 B10R1.25 Cc1cc(ccc1N[13CH3])Br 7a_100000211769_200025704644 [1,1,0,0,0,0|2,0,0]=4 2752 B10R1.25 Cc1cc(ccc1N[13CH3])Cl 34a_100000210418_200025704644 [1,1,0,0,0,0|2,0,0]=4 2753 B10R1.25 Cc1cc(ccc1N[13CH3])Cl 7a_100000210418_200025704644 [1,1,0,0,0,0|2,0,0]=4 2754 B10R1.25 Cc1cc(ccc1N[13CH3])F 34a_100000211637_200025704644 [1,1,0,0,0,0|2,0,0]=4 2755 B10R1.25 Cc1cc(ccc1N[13CH3])F 7a_100000211637_200025704644 [1,1,0,0,0,0|2,0,0]=4 2756 B10R1.25 Cc1cc(ccc1N[13CH3])I 34a_100000184554_200025704644 [1,1,0,0,0,0|2,0,0]=4 2757 B10R1.25 Cc1cc(ccc1N[13CH3])I 7a_100000184554_200025704644 [1,1,0,0,0,0|2,0,0]=4 2758 B10R1.25 Cc1cc(ccc1N[13CH3])O 34a_100000756630_200025704644 [1,1,0,0,0,0|1,0,1]=4 2759 B10R1.25 Cc1cc(ccc1O[13CH3])Br 34a_100000186361_200025704644 [1,1,0,0,0,0|2,0,0]=4 2760 B10R1.25 Cc1cc(ccc1O[13CH3])Br 7a_100000186361_200025704644 [1,1,0,0,0,0|2,0,0]=4 2761 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 34a_100000211091_200025704644 [1,1,0,0,0,0|2,0,0]=4 2762 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 7a_100000211091_200025704644 [1,1,0,0,0,0|2,0,0]=4 2763 B10R1.25 Cc1cc(ccc1O[13CH3])F 34a_100000764316_200025704644 [1,1,0,0,0,0|2,0,0]=4 2764 B10R1.25 Cc1cc(ccc1O[13CH3])F 7a_100000764316_200025704644 [1,1,0,0,0,0|2,0,0]=4 2765 B10R1.25 Cc1cc(ccc1O[13CH3])I 34a_100011218673_200025704644 [1,1,0,0,0,0|2,0,0]=4 2766 B10R1.25 Cc1cc(ccc1O[13CH3])I 7a_100011218673_200025704644 [1,1,0,0,0,0|2,0,0]=4 2767 B10R1.25 Cc1cc(ccc1O[13CH3])N 34a_100011218179_200025704644 [1,1,0,0,0,0|2,0,0]=4 2768 B10R1.25 Cc1cc(ccc1O[13CH3])N 7a_100011218179_200025704644 [1,1,0,0,0,0|2,0,0]=4 2769 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_100000701812_200025704644 [1,1,0,0,0,0|2,0,0]=4 2770 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_200025704644_100000701812 [1,1,0,0,0,0|2,0,0]=4 2771 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_100011219607_200025704644 [1,1,0,0,0,0|2,0,0]=4 2772 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_200025704644_100011219607 [1,1,0,0,0,0|2,0,0]=4 2773 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_100011205405_200025704644 [1,1,0,0,0,0|2,0,0]=4 2774 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_200025704644_100011205405 [1,1,0,0,0,0|2,0,0]=4 2775 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_100000210723_200025704644 [1,1,0,0,0,0|2,0,0]=4 2776 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_200025704644_100000210723 [1,1,0,0,0,0|2,0,0]=4 2777 B10R1.25 Cc1cc(ccc1S[13CH3])O 62a_200025704644_100000690111 [1,1,0,0,0,0|1,0,1]=4 2778 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,1,0,0,0,0|2,0,0]=4 2779 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,1,0,0,0,0|2,0,0]=4 2780 B10R1.25 Cc1ccc(c(c1)Br)N[13CH3] 34a_100000210942_200025704644 [1,1,0,0,0,0|1,0,1]=4 2781 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 34a_100000210800_200025704644 [1,1,0,0,0,0|1,0,1]=4 2782 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 7a_100000210800_200025704644 [1,1,0,0,0,0|1,0,1]=4 2783 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_100009813563_200025704644 [1,1,0,0,0,0|1,0,1]=4 2784 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100009813563 [1,1,0,0,0,0|1,0,1]=4 2785 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 34a_100000736561_200025704644 [1,1,0,0,0,0|1,0,1]=4 2786 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 7a_100000736561_200025704644 [1,1,0,0,0,0|1,0,1]=4 2787 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 34a_100000211776_200025704644 [1,1,0,0,0,0|1,0,1]=4 2788 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 7a_100000211776_200025704644 [1,1,0,0,0,0|1,0,1]=4 2789 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_100011217332_200025704644 [1,1,0,0,0,0|1,0,1]=4 2790 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011217332 [1,1,0,0,0,0|1,0,1]=4 2791 B10R1.25 Cc1ccc(c(c1)Cl)N[13CH3] 34a_100000210522_200025704644 [1,1,0,0,0,0|1,0,1]=4 2792 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 34a_100000749699_200025704644 [1,1,0,0,0,0|1,0,1]=4 2793 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 7a_100000749699_200025704644 [1,1,0,0,0,0|1,0,1]=4 2794 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_100011263221_200025704644 [1,1,0,0,0,0|1,0,1]=4 2795 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100011263221 [1,1,0,0,0,0|1,0,1]=4 2796 B10R1.25 Cc1ccc(c(c1)F)N[13CH3] 34a_100000211023_200025704644 [1,1,0,0,0,0|1,0,1]=4 2797 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 34a_100011216688_200025704644 [1,1,0,0,0,0|1,0,1]=4 2798 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 7a_100011216688_200025704644 [1,1,0,0,0,0|1,0,1]=4 2799 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_100011216119_200025704644 [1,1,0,0,0,0|1,0,1]=4 2800 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011216119 [1,1,0,0,0,0|1,0,1]=4 2801 B10R1.25 Cc1ccc(c(c1)I)N[13CH3] 34a_100011356834_200025704644 [1,1,0,0,0,0|1,0,1]=4 2802 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 34a_100000765521_200025704644 [1,1,0,0,0,0|1,0,1]=4 2803 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 7a_100000765521_200025704644 [1,1,0,0,0,0|1,0,1]=4 2804 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 34a_100011215204_200025704644 [1,1,0,0,0,0|1,0,1]=4 2805 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 7a_100011215204_200025704644 [1,1,0,0,0,0|1,0,1]=4 2806 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_100011216686_200025704644 [1,1,0,0,0,0|1,0,1]=4 2807 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011216686 [1,1,0,0,0,0|1,0,1]=4 2808 B10R1.25 Cc1ccc(c(c1)O)C#N 271570a_203496583355_100000693804 [1,1,0,0,0,0|1,0,1]=4 2809 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,1,0,0,0,0|0,0,0]=2 2810 B10R1.25 Cc1ccc(c(c1)O)NN 271570a_203496583355_100016996181 [1,1,0,0,0,0|2,0,0]=4 2811 B10R1.25 Cc1ccc(c(c1)O)N[13CH3] 34a_100000211527_200025704644 [1,1,0,0,0,0|1,0,1]=4 2812 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_100012002257_200025704644 [1,1,0,0,0,0|1,0,1]=4 2813 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012002257 [1,1,0,0,0,0|1,0,1]=4 2814 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [1,1,0,0,0,0|1,0,0]=3 2815 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,1,0,0,0,0|2,0,0]=4 2816 B10R1.25 NCc1ccc(cc1F)O 271570a_203496583355_100000754580 [1,1,0,0,0,0|1,0,1]=4 2817 B10R1.25 NCc1ccc(cc1O)F 271570a_203496583355_100000708791 [1,1,0,0,0,0|2,0,0]=4 2818 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [1,1,0,0,0,0|1,0,0]=3 2819 B10R1.25 Nc1cc(ccc1CO)O 271570a_203496583355_100000718831 [1,1,0,0,0,0|1,0,1]=4 2820 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [1,1,0,0,0,0|1,0,0]=3 2821 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [1,1,0,0,0,0|1,0,0]=3 2822 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [1,1,0,0,0,0|1,0,0]=3 2823 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,1,0,0,0,0|1,0,0]=3 2824 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,1,0,0,0,0|1,0,0]=3 2825 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,1,0,0,0,0|1,0,0]=3 2826 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,1,0,0,0,0|1,0,0]=3 2827 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [1,1,0,0,0,0|2,0,0]=4 2828 B10R1.25 O=Cc1ccc(nc1O)F 271570a_203496583355_100009846357 [1,1,0,0,0,0|2,0,0]=4 2829 B10R1.25 O=Cc1cnc(cc1O)F 271570a_203496583355_100009862493 [1,1,0,0,0,0|2,0,0]=4 2830 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [1,1,0,0,0,0|2,0,0]=4 2831 B10R1.25 OCc1ccc(cc1Br)O 271570a_203496583355_100010240206 [1,1,0,0,0,0|1,0,1]=4 2832 B10R1.25 OCc1ccc(cc1F)O 271570a_203496583355_100011191541 [1,1,0,0,0,0|1,0,1]=4 2833 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [1,1,0,0,0,0|2,0,0]=4 2834 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [1,1,0,0,0,0|2,0,0]=4 2835 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [1,1,0,0,0,0|2,0,0]=4 2836 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,1,0,0,0,0|1,0,1]=4 2837 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,1,0,0,0,0|1,0,1]=4 2838 B10R1.25 [13CH3]Nc1ccc(cc1Br)Br 34a_100000211012_200025704644 [1,1,0,0,0,0|2,0,0]=4 2839 B10R1.25 [13CH3]Nc1ccc(cc1Br)Cl 34a_100000752454_200025704644 [1,1,0,0,0,0|2,0,0]=4 2840 B10R1.25 [13CH3]Nc1ccc(cc1Br)F 34a_100000738039_200025704644 [1,1,0,0,0,0|2,0,0]=4 2841 B10R1.25 [13CH3]Nc1ccc(cc1Br)O 34a_100012001276_200025704644 [1,1,0,0,0,0|1,0,1]=4 2842 B10R1.25 [13CH3]Nc1ccc(cc1Cl)Br 34a_100000211467_200025704644 [1,1,0,0,0,0|2,0,0]=4 2843 B10R1.25 [13CH3]Nc1ccc(cc1Cl)Cl 34a_100000185861_200025704644 [1,1,0,0,0,0|2,0,0]=4 2844 B10R1.25 [13CH3]Nc1ccc(cc1Cl)F 34a_100000212003_200025704644 [1,1,0,0,0,0|2,0,0]=4 2845 B10R1.25 [13CH3]Nc1ccc(cc1Cl)I 34a_100011218065_200025704644 [1,1,0,0,0,0|2,0,0]=4 2846 B10R1.25 [13CH3]Nc1ccc(cc1Cl)O 34a_100011215599_200025704644 [1,1,0,0,0,0|1,0,1]=4 2847 B10R1.25 [13CH3]Nc1ccc(cc1F)Br 34a_100000210722_200025704644 [1,1,0,0,0,0|2,0,0]=4 2848 B10R1.25 [13CH3]Nc1ccc(cc1F)Cl 34a_100000211020_200025704644 [1,1,0,0,0,0|2,0,0]=4 2849 B10R1.25 [13CH3]Nc1ccc(cc1F)F 34a_100000210720_200025704644 [1,1,0,0,0,0|2,0,0]=4 2850 B10R1.25 [13CH3]Nc1ccc(cc1F)I 34a_100011215594_200025704644 [1,1,0,0,0,0|2,0,0]=4 2851 B10R1.25 [13CH3]Nc1ccc(cc1F)O 34a_100000759473_200025704644 [1,1,0,0,0,0|1,0,1]=4 2852 B10R1.25 [13CH3]Nc1ccc(cc1I)Br 34a_100000187925_200025704644 [1,1,0,0,0,0|2,0,0]=4 2853 B10R1.25 [13CH3]Nc1ccc(cc1I)Cl 34a_100000761889_200025704644 [1,1,0,0,0,0|2,0,0]=4 2854 B10R1.25 [13CH3]Nc1ccc(cc1I)F 34a_100000760547_200025704644 [1,1,0,0,0,0|2,0,0]=4 2855 B10R1.25 [13CH3]Nc1ccc(cc1I)O 34a_100010084370_200025704644 [1,1,0,0,0,0|1,0,1]=4 2856 B10R1.25 [13CH3]Nc1ccc(cc1O)Br 34a_100000739049_200025704644 [1,1,0,0,0,0|2,0,0]=4 2857 B10R1.25 [13CH3]Nc1ccc(cc1O)Cl 34a_100000185728_200025704644 [1,1,0,0,0,0|2,0,0]=4 2858 B10R1.25 [13CH3]Nc1ccc(cc1O)F 34a_100000753323_200025704644 [1,1,0,0,0,0|2,0,0]=4 2859 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,1,0,0,0,0|1,0,1]=4 2860 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 34a_100000188717_200025704644 [1,1,0,0,0,0|2,0,0]=4 2861 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 7a_100000188717_200025704644 [1,1,0,0,0,0|2,0,0]=4 2862 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 34a_100000211998_200025704644 [1,1,0,0,0,0|2,0,0]=4 2863 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 7a_100000211998_200025704644 [1,1,0,0,0,0|2,0,0]=4 2864 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 34a_100000211999_200025704644 [1,1,0,0,0,0|2,0,0]=4 2865 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 7a_100000211999_200025704644 [1,1,0,0,0,0|2,0,0]=4 2866 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 34a_100012361655_200025704644 [1,1,0,0,0,0|2,0,0]=4 2867 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 7a_100012361655_200025704644 [1,1,0,0,0,0|2,0,0]=4 2868 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 34a_100011534360_200025704644 [1,1,0,0,0,0|2,0,0]=4 2869 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 7a_100011534360_200025704644 [1,1,0,0,0,0|2,0,0]=4 2870 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 34a_100000186472_200025704644 [1,1,0,0,0,0|2,0,0]=4 2871 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 7a_100000186472_200025704644 [1,1,0,0,0,0|2,0,0]=4 2872 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 34a_100015191787_200025704644 [1,1,0,0,0,0|2,0,0]=4 2873 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 7a_100015191787_200025704644 [1,1,0,0,0,0|2,0,0]=4 2874 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 34a_100000212004_200025704644 [1,1,0,0,0,0|2,0,0]=4 2875 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 7a_100000212004_200025704644 [1,1,0,0,0,0|2,0,0]=4 2876 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 34a_100012360047_200025704644 [1,1,0,0,0,0|2,0,0]=4 2877 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 7a_100012360047_200025704644 [1,1,0,0,0,0|2,0,0]=4 2878 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 34a_100000744943_200025704644 [1,1,0,0,0,0|2,0,0]=4 2879 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 7a_100000744943_200025704644 [1,1,0,0,0,0|2,0,0]=4 2880 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 34a_100000185481_200025704644 [1,1,0,0,0,0|2,0,0]=4 2881 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 7a_100000185481_200025704644 [1,1,0,0,0,0|2,0,0]=4 2882 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 34a_100000230166_200025704644 [1,1,0,0,0,0|2,0,0]=4 2883 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 7a_100000230166_200025704644 [1,1,0,0,0,0|2,0,0]=4 2884 B10R1.25 [13CH3]Oc1ccc(cc1F)F 34a_100000230127_200025704644 [1,1,0,0,0,0|2,0,0]=4 2885 B10R1.25 [13CH3]Oc1ccc(cc1F)F 7a_100000230127_200025704644 [1,1,0,0,0,0|2,0,0]=4 2886 B10R1.25 [13CH3]Oc1ccc(cc1F)I 34a_100011356965_200025704644 [1,1,0,0,0,0|2,0,0]=4 2887 B10R1.25 [13CH3]Oc1ccc(cc1F)I 7a_100011356965_200025704644 [1,1,0,0,0,0|2,0,0]=4 2888 B10R1.25 [13CH3]Oc1ccc(cc1F)N 34a_100011220035_200025704644 [1,1,0,0,0,0|2,0,0]=4 2889 B10R1.25 [13CH3]Oc1ccc(cc1F)N 7a_100011220035_200025704644 [1,1,0,0,0,0|2,0,0]=4 2890 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 34a_100012355227_200025704644 [1,1,0,0,0,0|2,0,0]=4 2891 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 7a_100012355227_200025704644 [1,1,0,0,0,0|2,0,0]=4 2892 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 34a_100011356953_200025704644 [1,1,0,0,0,0|2,0,0]=4 2893 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 7a_100011356953_200025704644 [1,1,0,0,0,0|2,0,0]=4 2894 B10R1.25 [13CH3]Oc1ccc(cc1I)F 34a_100012355409_200025704644 [1,1,0,0,0,0|2,0,0]=4 2895 B10R1.25 [13CH3]Oc1ccc(cc1I)F 7a_100012355409_200025704644 [1,1,0,0,0,0|2,0,0]=4 2896 B10R1.25 [13CH3]Oc1ccc(cc1I)I 7a_100010001573_200025704644 [1,1,0,0,0,0|2,0,0]=4 2897 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 34a_100000752626_200025704644 [1,1,0,0,0,0|2,0,0]=4 2898 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 7a_100000752626_200025704644 [1,1,0,0,0,0|2,0,0]=4 2899 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 34a_100000210500_200025704644 [1,1,0,0,0,0|2,0,0]=4 2900 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 7a_100000210500_200025704644 [1,1,0,0,0,0|2,0,0]=4 2901 B10R1.25 [13CH3]Oc1ccc(cc1N)F 34a_100000759472_200025704644 [1,1,0,0,0,0|2,0,0]=4 2902 B10R1.25 [13CH3]Oc1ccc(cc1N)F 7a_100000759472_200025704644 [1,1,0,0,0,0|2,0,0]=4 2903 B10R1.25 [13CH3]Oc1ccc(cc1N)I 34a_100000753495_200025704644 [1,1,0,0,0,0|2,0,0]=4 2904 B10R1.25 [13CH3]Oc1ccc(cc1N)I 7a_100000753495_200025704644 [1,1,0,0,0,0|2,0,0]=4 2905 B10R1.25 [13CH3]Oc1ccc(cc1N)N 34a_100000725306_200025704644 [1,1,0,0,0,0|2,0,0]=4 2906 B10R1.25 [13CH3]Sc1c[nH]c(=O)cc1F 62a_100015631685_200025704644 [1,1,0,0,0,0|2,0,0]=4 2907 B10R1.25 [13CH3]Sc1c[nH]c(=O)cc1F 62a_200025704644_100015631685 [1,1,0,0,0,0|2,0,0]=4 2908 B10R1.25 [13CH3]Sc1ccc(=O)[nH]c1N 62a_100009884077_200025704644 [1,1,0,0,0,0|2,0,0]=4 2909 B10R1.25 [13CH3]Sc1ccc(cc1Br)Br 62a_100011484698_200025704644 [1,1,0,0,0,0|2,0,0]=4 2910 B10R1.25 [13CH3]Sc1ccc(cc1Br)Br 62a_200025704644_100011484698 [1,1,0,0,0,0|2,0,0]=4 2911 B10R1.25 [13CH3]Sc1ccc(cc1Br)Cl 62a_100011219703_200025704644 [1,1,0,0,0,0|2,0,0]=4 2912 B10R1.25 [13CH3]Sc1ccc(cc1Br)Cl 62a_200025704644_100011219703 [1,1,0,0,0,0|2,0,0]=4 2913 B10R1.25 [13CH3]Sc1ccc(cc1Br)F 62a_100011217111_200025704644 [1,1,0,0,0,0|2,0,0]=4 2914 B10R1.25 [13CH3]Sc1ccc(cc1Br)F 62a_200025704644_100011217111 [1,1,0,0,0,0|2,0,0]=4 2915 B10R1.25 [13CH3]Sc1ccc(cc1Br)N 62a_100000750458_200025704644 [1,1,0,0,0,0|2,0,0]=4 2916 B10R1.25 [13CH3]Sc1ccc(cc1Br)N 62a_200025704644_100000750458 [1,1,0,0,0,0|2,0,0]=4 2917 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_100000701344_200025704644 [1,1,0,0,0,0|1,0,1]=4 2918 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_200025704644_100000701344 [1,1,0,0,0,0|1,0,1]=4 2919 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Br 62a_100011216062_200025704644 [1,1,0,0,0,0|2,0,0]=4 2920 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Br 62a_200025704644_100011216062 [1,1,0,0,0,0|2,0,0]=4 2921 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Cl 62a_100000699841_200025704644 [1,1,0,0,0,0|2,0,0]=4 2922 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Cl 62a_200025704644_100000699841 [1,1,0,0,0,0|2,0,0]=4 2923 B10R1.25 [13CH3]Sc1ccc(cc1Cl)F 62a_100000733362_200025704644 [1,1,0,0,0,0|2,0,0]=4 2924 B10R1.25 [13CH3]Sc1ccc(cc1Cl)F 62a_200025704644_100000733362 [1,1,0,0,0,0|2,0,0]=4 2925 B10R1.25 [13CH3]Sc1ccc(cc1Cl)N 62a_100000761885_200025704644 [1,1,0,0,0,0|2,0,0]=4 2926 B10R1.25 [13CH3]Sc1ccc(cc1Cl)N 62a_200025704644_100000761885 [1,1,0,0,0,0|2,0,0]=4 2927 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_100000047559_200025704644 [1,1,0,0,0,0|1,0,1]=4 2928 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_200025704644_100000047559 [1,1,0,0,0,0|1,0,1]=4 2929 B10R1.25 [13CH3]Sc1ccc(cc1F)Br 62a_100009814013_200025704644 [1,1,0,0,0,0|2,0,0]=4 2930 B10R1.25 [13CH3]Sc1ccc(cc1F)Br 62a_200025704644_100009814013 [1,1,0,0,0,0|2,0,0]=4 2931 B10R1.25 [13CH3]Sc1ccc(cc1F)Cl 62a_100011216042_200025704644 [1,1,0,0,0,0|2,0,0]=4 2932 B10R1.25 [13CH3]Sc1ccc(cc1F)Cl 62a_200025704644_100011216042 [1,1,0,0,0,0|2,0,0]=4 2933 B10R1.25 [13CH3]Sc1ccc(cc1F)F 62a_100000750030_200025704644 [1,1,0,0,0,0|2,0,0]=4 2934 B10R1.25 [13CH3]Sc1ccc(cc1F)F 62a_200025704644_100000750030 [1,1,0,0,0,0|2,0,0]=4 2935 B10R1.25 [13CH3]Sc1ccc(cc1F)N 62a_100011356925_200025704644 [1,1,0,0,0,0|2,0,0]=4 2936 B10R1.25 [13CH3]Sc1ccc(cc1F)N 62a_200025704644_100011356925 [1,1,0,0,0,0|2,0,0]=4 2937 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_100000755031_200025704644 [1,1,0,0,0,0|1,0,1]=4 2938 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_200025704644_100000755031 [1,1,0,0,0,0|1,0,1]=4 2939 B10R1.25 [13CH3]Sc1ccc(cc1N)Br 62a_100000743836_200025704644 [1,1,0,0,0,0|2,0,0]=4 2940 B10R1.25 [13CH3]Sc1ccc(cc1N)Br 62a_200025704644_100000743836 [1,1,0,0,0,0|2,0,0]=4 2941 B10R1.25 [13CH3]Sc1ccc(cc1N)Cl 62a_100000761886_200025704644 [1,1,0,0,0,0|2,0,0]=4 2942 B10R1.25 [13CH3]Sc1ccc(cc1N)Cl 62a_200025704644_100000761886 [1,1,0,0,0,0|2,0,0]=4 2943 B10R1.25 [13CH3]Sc1ccc(cc1N)F 62a_100000687223_200025704644 [1,1,0,0,0,0|2,0,0]=4 2944 B10R1.25 [13CH3]Sc1ccc(cc1N)F 62a_200025704644_100000687223 [1,1,0,0,0,0|2,0,0]=4 2945 B10R1.25 [13CH3]Sc1ccc(cc1N)N 62a_200012175722_200025704644 [1,1,0,0,0,0|2,0,0]=4 2946 B10R1.25 [13CH3]Sc1ccc(cc1N)N 62a_200025704644_200012175722 [1,1,0,0,0,0|2,0,0]=4 2947 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_100011999798_200025704644 [1,1,0,0,0,0|1,0,1]=4 2948 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_200025704644_100011999798 [1,1,0,0,0,0|1,0,1]=4 2949 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_100012344904_200025704644 [1,1,0,0,0,0|2,0,0]=4 2950 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_200025704644_100012344904 [1,1,0,0,0,0|2,0,0]=4 2951 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_100000050036_200025704644 [1,1,0,0,0,0|2,0,0]=4 2952 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_200025704644_100000050036 [1,1,0,0,0,0|2,0,0]=4 2953 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_100000690578_200025704644 [1,1,0,0,0,0|2,0,0]=4 2954 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_200025704644_100000690578 [1,1,0,0,0,0|2,0,0]=4 2955 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,1,0,0,0,0|1,0,1]=4 2956 B10R1.176 C=Cc1cc(c(cn1)C)C 271570a_100011290941_100009850809 [1,1,0,0,0,0|2,0,0]=4 2957 B10R1.176 C=Cc1cc(c(cn1)C)F 271570a_100011290941_100009841206 [1,1,0,0,0,0|2,0,0]=4 2958 B10R1.176 C=Cc1cc(c(cn1)C)N 271570a_100011290941_100000690170 [1,1,0,0,0,0|2,0,0]=4 2959 B10R1.176 C=Cc1cc(c(cn1)C)O 271570a_100011290941_100000704368 [1,1,0,0,0,0|2,0,0]=4 2960 B10R1.176 C=Cc1ccc([n+](c1)[O-])C 271570a_100011290941_100000703231 [1,1,0,0,0,0|2,0,0]=4 2961 B10R1.176 C=Cc1ccc(c(c1)Br)Br 271570a_100011290941_100012356285 [1,1,0,0,0,0|2,0,0]=4 2962 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [1,1,0,0,0,0|1,0,0]=3 2963 B10R1.176 C=Cc1ccc(c(c1)Br)Cl 271570a_100011290941_100012353702 [1,1,0,0,0,0|2,0,0]=4 2964 B10R1.176 C=Cc1ccc(c(c1)Br)F 271570a_100011290941_100012047266 [1,1,0,0,0,0|2,0,0]=4 2965 B10R1.176 C=Cc1ccc(c(c1)Br)N 271570a_100011290941_100000750455 [1,1,0,0,0,0|2,0,0]=4 2966 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,1,0,0,0,0|2,0,0]=4 2967 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,1,0,0,0,0|2,0,0]=4 2968 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,1,0,0,0,0|1,0,0]=3 2969 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,1,0,0,0,0|2,0,0]=4 2970 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,1,0,0,0,0|2,0,0]=4 2971 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,1,0,0,0,0|2,0,0]=4 2972 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,1,0,0,0,0|2,0,0]=4 2973 B10R1.176 C=Cc1ccc(c(c1)Cl)Br 271570a_100011290941_100012047281 [1,1,0,0,0,0|2,0,0]=4 2974 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [1,1,0,0,0,0|1,0,0]=3 2975 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl 271570a_100011290941_100011214914 [1,1,0,0,0,0|2,0,0]=4 2976 B10R1.176 C=Cc1ccc(c(c1)Cl)F 271570a_100011290941_100011215976 [1,1,0,0,0,0|2,0,0]=4 2977 B10R1.176 C=Cc1ccc(c(c1)Cl)N 271570a_100011290941_100011218065 [1,1,0,0,0,0|2,0,0]=4 2978 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,1,0,0,0,0|2,0,0]=4 2979 B10R1.176 C=Cc1ccc(c(c1)F)Br 271570a_100011290941_100000685389 [1,1,0,0,0,0|2,0,0]=4 2980 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [1,1,0,0,0,0|1,0,0]=3 2981 B10R1.176 C=Cc1ccc(c(c1)F)Cl 271570a_100011290941_100011216805 [1,1,0,0,0,0|2,0,0]=4 2982 B10R1.176 C=Cc1ccc(c(c1)F)F 271570a_100011290941_100000750028 [1,1,0,0,0,0|2,0,0]=4 2983 B10R1.176 C=Cc1ccc(c(c1)F)N 271570a_100011290941_100011215594 [1,1,0,0,0,0|2,0,0]=4 2984 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,1,0,0,0,0|2,0,0]=4 2985 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [1,1,0,0,0,0|2,0,0]=4 2986 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [1,1,0,0,0,0|1,0,0]=3 2987 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [1,1,0,0,0,0|2,0,0]=4 2988 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [1,1,0,0,0,0|2,0,0]=4 2989 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [1,1,0,0,0,0|2,0,0]=4 2990 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,1,0,0,0,0|2,0,0]=4 2991 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,1,0,0,0,0|2,0,0]=4 2992 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,1,0,0,0,0|1,0,0]=3 2993 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,1,0,0,0,0|2,0,0]=4 2994 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,1,0,0,0,0|2,0,0]=4 2995 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,1,0,0,0,0|2,0,0]=4 2996 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,1,0,0,0,0|2,0,0]=4 2997 B10R1.176 C=Cc1ccc(c(n1)C)C 271570a_100011290941_100000103781 [1,1,0,0,0,0|2,0,0]=4 2998 B10R1.176 C=Cc1ccc(c(n1)N)C 271570a_100011290941_100009857032 [1,1,0,0,0,0|2,0,0]=4 2999 B10R1.176 C=Cc1ccn(c(=O)c1)C 271570a_100011290941_100009820031 [1,1,0,0,0,0|2,0,0]=4 3000 B10R1.176 C=Cc1cnc(c(c1)C)C 271570a_100011290941_100000697892 [1,1,0,0,0,0|2,0,0]=4 3001 B10R1.176 C=Cc1cnc(c(c1)F)C 271570a_100011290941_100009845756 [1,1,0,0,0,0|2,0,0]=4 3002 B10R1.176 C=Cc1cnc(c(c1)N)C 271570a_100011290941_100011999542 [1,1,0,0,0,0|2,0,0]=4 3003 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [1,1,0,0,0,0|2,0,0]=4 3004 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,1,0,0,0,0|0,0,1]=3 3005 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,1,0,0,0,0|0,0,1]=3 3006 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [1,1,0,0,0,0|1,0,0]=3 3007 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [1,1,0,0,0,0|1,0,0]=3 3008 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,1,0,0,0,0|0,0,1]=3 3009 B10R1.176 CNc1ccc(c(c1)Br)Br 2230a_100011306057_200000210301 [1,1,0,0,0,0|2,0,0]=4 3010 B10R1.176 CNc1ccc(c(c1)Br)Br 34a_100011306057_200000210301 [1,1,0,0,0,0|2,0,0]=4 3011 B10R1.176 CNc1ccc(c(c1)Br)Br 7a_100011306057_200000210301 [1,1,0,0,0,0|2,0,0]=4 3012 B10R1.176 CNc1ccc(c(c1)Br)C 2230a_100000736455_200000210301 [1,1,0,0,0,0|1,0,1]=4 3013 B10R1.176 CNc1ccc(c(c1)Br)C 34a_100000736455_200000210301 [1,1,0,0,0,0|1,0,1]=4 3014 B10R1.176 CNc1ccc(c(c1)Br)C 7a_100000736455_200000210301 [1,1,0,0,0,0|1,0,1]=4 3015 B10R1.176 CNc1ccc(c(c1)Br)Cl 2230a_100000686031_200000210301 [1,1,0,0,0,0|2,0,0]=4 3016 B10R1.176 CNc1ccc(c(c1)Br)Cl 34a_100000686031_200000210301 [1,1,0,0,0,0|2,0,0]=4 3017 B10R1.176 CNc1ccc(c(c1)Br)F 2230a_100000760356_200000210301 [1,1,0,0,0,0|2,0,0]=4 3018 B10R1.176 CNc1ccc(c(c1)Br)F 34a_100000760356_200000210301 [1,1,0,0,0,0|2,0,0]=4 3019 B10R1.176 CNc1ccc(c(c1)Br)F 7a_100000760356_200000210301 [1,1,0,0,0,0|2,0,0]=4 3020 B10R1.176 CNc1ccc(c(c1)Br)I 34a_100000750458_200000210301 [1,1,0,0,0,0|2,0,0]=4 3021 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [1,1,0,0,0,0|1,0,1]=4 3022 B10R1.176 CNc1ccc(c(c1)C)Br 2230a_100000210723_200000210301 [1,1,0,0,0,0|2,0,0]=4 3023 B10R1.176 CNc1ccc(c(c1)C)Br 34a_100000210723_200000210301 [1,1,0,0,0,0|2,0,0]=4 3024 B10R1.176 CNc1ccc(c(c1)C)Br 7a_100000210723_200000210301 [1,1,0,0,0,0|2,0,0]=4 3025 B10R1.176 CNc1ccc(c(c1)C)C 2230a_100000724040_200000210301 [1,1,0,0,0,0|1,0,1]=4 3026 B10R1.176 CNc1ccc(c(c1)C)C 34a_100000724040_200000210301 [1,1,0,0,0,0|1,0,1]=4 3027 B10R1.176 CNc1ccc(c(c1)C)C 7a_100000724040_200000210301 [1,1,0,0,0,0|1,0,1]=4 3028 B10R1.176 CNc1ccc(c(c1)C)Cl 2230a_100000187808_200000210301 [1,1,0,0,0,0|2,0,0]=4 3029 B10R1.176 CNc1ccc(c(c1)C)Cl 34a_100000187808_200000210301 [1,1,0,0,0,0|2,0,0]=4 3030 B10R1.176 CNc1ccc(c(c1)C)Cl 7a_100000187808_200000210301 [1,1,0,0,0,0|2,0,0]=4 3031 B10R1.176 CNc1ccc(c(c1)C)F 2230a_100000750164_200000210301 [1,1,0,0,0,0|2,0,0]=4 3032 B10R1.176 CNc1ccc(c(c1)C)F 34a_100000750164_200000210301 [1,1,0,0,0,0|2,0,0]=4 3033 B10R1.176 CNc1ccc(c(c1)C)F 7a_100000750164_200000210301 [1,1,0,0,0,0|2,0,0]=4 3034 B10R1.176 CNc1ccc(c(c1)C)I 34a_100000198070_200000210301 [1,1,0,0,0,0|2,0,0]=4 3035 B10R1.176 CNc1ccc(c(c1)C)I 7a_100000198070_200000210301 [1,1,0,0,0,0|2,0,0]=4 3036 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,1,0,0,0,0|1,0,1]=4 3037 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,1,0,0,0,0|1,0,1]=4 3038 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,1,0,0,0,0|1,0,1]=4 3039 B10R1.176 CNc1ccc(c(c1)Cl)Br 2230a_100000687081_200000210301 [1,1,0,0,0,0|2,0,0]=4 3040 B10R1.176 CNc1ccc(c(c1)Cl)Br 34a_100000687081_200000210301 [1,1,0,0,0,0|2,0,0]=4 3041 B10R1.176 CNc1ccc(c(c1)Cl)Br 7a_100000687081_200000210301 [1,1,0,0,0,0|2,0,0]=4 3042 B10R1.176 CNc1ccc(c(c1)Cl)C 2230a_100000188892_200000210301 [1,1,0,0,0,0|1,0,1]=4 3043 B10R1.176 CNc1ccc(c(c1)Cl)C 34a_100000188892_200000210301 [1,1,0,0,0,0|1,0,1]=4 3044 B10R1.176 CNc1ccc(c(c1)Cl)C 7a_100000188892_200000210301 [1,1,0,0,0,0|1,0,1]=4 3045 B10R1.176 CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_200000210301 [1,1,0,0,0,0|2,0,0]=4 3046 B10R1.176 CNc1ccc(c(c1)Cl)Cl 34a_100000184108_200000210301 [1,1,0,0,0,0|2,0,0]=4 3047 B10R1.176 CNc1ccc(c(c1)Cl)F 2230a_100000211060_200000210301 [1,1,0,0,0,0|2,0,0]=4 3048 B10R1.176 CNc1ccc(c(c1)Cl)F 34a_100000211060_200000210301 [1,1,0,0,0,0|2,0,0]=4 3049 B10R1.176 CNc1ccc(c(c1)Cl)F 7a_100000211060_200000210301 [1,1,0,0,0,0|2,0,0]=4 3050 B10R1.176 CNc1ccc(c(c1)Cl)I 34a_100000761885_200000210301 [1,1,0,0,0,0|2,0,0]=4 3051 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [1,1,0,0,0,0|1,0,1]=4 3052 B10R1.176 CNc1ccc(c(c1)F)Br 2230a_100000759894_200000210301 [1,1,0,0,0,0|2,0,0]=4 3053 B10R1.176 CNc1ccc(c(c1)F)Br 34a_100000759894_200000210301 [1,1,0,0,0,0|2,0,0]=4 3054 B10R1.176 CNc1ccc(c(c1)F)Br 7a_100000759894_200000210301 [1,1,0,0,0,0|2,0,0]=4 3055 B10R1.176 CNc1ccc(c(c1)F)C 2230a_100000210958_200000210301 [1,1,0,0,0,0|1,0,1]=4 3056 B10R1.176 CNc1ccc(c(c1)F)C 34a_100000210958_200000210301 [1,1,0,0,0,0|1,0,1]=4 3057 B10R1.176 CNc1ccc(c(c1)F)C 7a_100000210958_200000210301 [1,1,0,0,0,0|1,0,1]=4 3058 B10R1.176 CNc1ccc(c(c1)F)Cl 2230a_100000739366_200000210301 [1,1,0,0,0,0|2,0,0]=4 3059 B10R1.176 CNc1ccc(c(c1)F)Cl 34a_100000739366_200000210301 [1,1,0,0,0,0|2,0,0]=4 3060 B10R1.176 CNc1ccc(c(c1)F)Cl 7a_100000739366_200000210301 [1,1,0,0,0,0|2,0,0]=4 3061 B10R1.176 CNc1ccc(c(c1)F)F 2230a_100000210724_200000210301 [1,1,0,0,0,0|2,0,0]=4 3062 B10R1.176 CNc1ccc(c(c1)F)F 34a_100000210724_200000210301 [1,1,0,0,0,0|2,0,0]=4 3063 B10R1.176 CNc1ccc(c(c1)F)F 7a_100000210724_200000210301 [1,1,0,0,0,0|2,0,0]=4 3064 B10R1.176 CNc1ccc(c(c1)F)I 34a_100011356925_200000210301 [1,1,0,0,0,0|2,0,0]=4 3065 B10R1.176 CNc1ccc(c(c1)F)I 7a_100011356925_200000210301 [1,1,0,0,0,0|2,0,0]=4 3066 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [1,1,0,0,0,0|1,0,1]=4 3067 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [1,1,0,0,0,0|1,0,1]=4 3068 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [1,1,0,0,0,0|1,0,1]=4 3069 B10R1.176 CNc1ccc(c(c1)I)Br 34a_100000750459_200000210301 [1,1,0,0,0,0|2,0,0]=4 3070 B10R1.176 CNc1ccc(c(c1)I)C 34a_100000184131_200000210301 [1,1,0,0,0,0|1,0,1]=4 3071 B10R1.176 CNc1ccc(c(c1)I)C 7a_100000184131_200000210301 [1,1,0,0,0,0|1,0,1]=4 3072 B10R1.176 CNc1ccc(c(c1)I)Cl 34a_100012360549_200000210301 [1,1,0,0,0,0|2,0,0]=4 3073 B10R1.176 CNc1ccc(c(c1)I)F 34a_114828291077_200000210301 [1,1,0,0,0,0|2,0,0]=4 3074 B10R1.176 CNc1ccc(c(c1)I)F 7a_114828291077_200000210301 [1,1,0,0,0,0|2,0,0]=4 3075 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [1,1,0,0,0,0|1,0,1]=4 3076 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [1,1,0,0,0,0|1,0,1]=4 3077 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [1,1,0,0,0,0|1,0,1]=4 3078 B10R1.176 CNc1ccc(c(c1)O)Cl 34a_100011934209_200000210301 [1,1,0,0,0,0|2,0,0]=4 3079 B10R1.176 CNc1ccc(c(c1)O)F 34a_100012017398_200000210301 [1,1,0,0,0,0|2,0,0]=4 3080 B10R1.176 CNc1ccc(c(c1)O)F 7a_100012017398_200000210301 [1,1,0,0,0,0|2,0,0]=4 3081 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,1,0,0,0,0|1,0,1]=4 3082 B10R1.176 COc1ccc(c(c1)Br)C 34a_100011380479_200000210301 [1,1,0,0,0,0|1,0,1]=4 3083 B10R1.176 COc1ccc(c(c1)Br)C 7a_100011380479_200000210301 [1,1,0,0,0,0|1,0,1]=4 3084 B10R1.176 COc1ccc(c(c1)Br)Cl 34a_100011933957_200000210301 [1,1,0,0,0,0|2,0,0]=4 3085 B10R1.176 COc1ccc(c(c1)Br)Cl 7a_100011933957_200000210301 [1,1,0,0,0,0|2,0,0]=4 3086 B10R1.176 COc1ccc(c(c1)Br)F 34a_100000693481_200000210301 [1,1,0,0,0,0|2,0,0]=4 3087 B10R1.176 COc1ccc(c(c1)Br)F 7a_100000693481_200000210301 [1,1,0,0,0,0|2,0,0]=4 3088 B10R1.176 COc1ccc(c(c1)Br)I 34a_100000701344_200000210301 [1,1,0,0,0,0|2,0,0]=4 3089 B10R1.176 COc1ccc(c(c1)Br)I 7a_100000701344_200000210301 [1,1,0,0,0,0|2,0,0]=4 3090 B10R1.176 COc1ccc(c(c1)Br)N 34a_100012001276_200000210301 [1,1,0,0,0,0|2,0,0]=4 3091 B10R1.176 COc1ccc(c(c1)Br)N 7a_100012001276_200000210301 [1,1,0,0,0,0|2,0,0]=4 3092 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [1,1,0,0,0,0|1,0,1]=4 3093 B10R1.176 COc1ccc(c(c1)C)Br 34a_100000690111_200000210301 [1,1,0,0,0,0|2,0,0]=4 3094 B10R1.176 COc1ccc(c(c1)C)Br 7a_100000690111_200000210301 [1,1,0,0,0,0|2,0,0]=4 3095 B10R1.176 COc1ccc(c(c1)C)C 34a_100000210932_200000210301 [1,1,0,0,0,0|1,0,1]=4 3096 B10R1.176 COc1ccc(c(c1)C)C 7a_100000210932_200000210301 [1,1,0,0,0,0|1,0,1]=4 3097 B10R1.176 COc1ccc(c(c1)C)Cl 34a_100000211092_200000210301 [1,1,0,0,0,0|2,0,0]=4 3098 B10R1.176 COc1ccc(c(c1)C)Cl 7a_100000211092_200000210301 [1,1,0,0,0,0|2,0,0]=4 3099 B10R1.176 COc1ccc(c(c1)C)F 34a_100000751312_200000210301 [1,1,0,0,0,0|2,0,0]=4 3100 B10R1.176 COc1ccc(c(c1)C)F 7a_100000751312_200000210301 [1,1,0,0,0,0|2,0,0]=4 3101 B10R1.176 COc1ccc(c(c1)C)I 34a_100000729255_200000210301 [1,1,0,0,0,0|2,0,0]=4 3102 B10R1.176 COc1ccc(c(c1)C)I 7a_100000729255_200000210301 [1,1,0,0,0,0|2,0,0]=4 3103 B10R1.176 COc1ccc(c(c1)C)N 34a_100000756630_200000210301 [1,1,0,0,0,0|2,0,0]=4 3104 B10R1.176 COc1ccc(c(c1)C)N 7a_100000756630_200000210301 [1,1,0,0,0,0|2,0,0]=4 3105 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,1,0,0,0,0|1,0,1]=4 3106 B10R1.176 COc1ccc(c(c1)Cl)Br 34a_100011215161_200000210301 [1,1,0,0,0,0|2,0,0]=4 3107 B10R1.176 COc1ccc(c(c1)Cl)Br 7a_100011215161_200000210301 [1,1,0,0,0,0|2,0,0]=4 3108 B10R1.176 COc1ccc(c(c1)Cl)C 34a_100011265682_200000210301 [1,1,0,0,0,0|1,0,1]=4 3109 B10R1.176 COc1ccc(c(c1)Cl)C 7a_100011265682_200000210301 [1,1,0,0,0,0|1,0,1]=4 3110 B10R1.176 COc1ccc(c(c1)Cl)Cl 34a_100000211054_200000210301 [1,1,0,0,0,0|2,0,0]=4 3111 B10R1.176 COc1ccc(c(c1)Cl)Cl 7a_100000211054_200000210301 [1,1,0,0,0,0|2,0,0]=4 3112 B10R1.176 COc1ccc(c(c1)Cl)F 34a_100000211030_200000210301 [1,1,0,0,0,0|2,0,0]=4 3113 B10R1.176 COc1ccc(c(c1)Cl)F 7a_100000211030_200000210301 [1,1,0,0,0,0|2,0,0]=4 3114 B10R1.176 COc1ccc(c(c1)Cl)I 34a_100000047559_200000210301 [1,1,0,0,0,0|2,0,0]=4 3115 B10R1.176 COc1ccc(c(c1)Cl)I 7a_100000047559_200000210301 [1,1,0,0,0,0|2,0,0]=4 3116 B10R1.176 COc1ccc(c(c1)Cl)N 34a_100011215599_200000210301 [1,1,0,0,0,0|2,0,0]=4 3117 B10R1.176 COc1ccc(c(c1)Cl)N 7a_100011215599_200000210301 [1,1,0,0,0,0|2,0,0]=4 3118 B10R1.176 COc1ccc(c(c1)F)Br 34a_100000755031_200000210301 [1,1,0,0,0,0|2,0,0]=4 3119 B10R1.176 COc1ccc(c(c1)F)Br 7a_100000755031_200000210301 [1,1,0,0,0,0|2,0,0]=4 3120 B10R1.176 COc1ccc(c(c1)F)C 34a_100000722560_200000210301 [1,1,0,0,0,0|1,0,1]=4 3121 B10R1.176 COc1ccc(c(c1)F)C 7a_100000722560_200000210301 [1,1,0,0,0,0|1,0,1]=4 3122 B10R1.176 COc1ccc(c(c1)F)Cl 34a_100000691581_200000210301 [1,1,0,0,0,0|2,0,0]=4 3123 B10R1.176 COc1ccc(c(c1)F)Cl 7a_100000691581_200000210301 [1,1,0,0,0,0|2,0,0]=4 3124 B10R1.176 COc1ccc(c(c1)F)F 34a_100000181275_200000210301 [1,1,0,0,0,0|2,0,0]=4 3125 B10R1.176 COc1ccc(c(c1)F)F 7a_100000181275_200000210301 [1,1,0,0,0,0|2,0,0]=4 3126 B10R1.176 COc1ccc(c(c1)F)I 34a_100009990212_200000210301 [1,1,0,0,0,0|2,0,0]=4 3127 B10R1.176 COc1ccc(c(c1)F)I 7a_100009990212_200000210301 [1,1,0,0,0,0|2,0,0]=4 3128 B10R1.176 COc1ccc(c(c1)F)N 34a_100000759473_200000210301 [1,1,0,0,0,0|2,0,0]=4 3129 B10R1.176 COc1ccc(c(c1)F)N 7a_100000759473_200000210301 [1,1,0,0,0,0|2,0,0]=4 3130 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [1,1,0,0,0,0|1,0,1]=4 3131 B10R1.176 COc1ccc(c(c1)I)Br 34a_100012339312_200000210301 [1,1,0,0,0,0|2,0,0]=4 3132 B10R1.176 COc1ccc(c(c1)I)Br 7a_100012339312_200000210301 [1,1,0,0,0,0|2,0,0]=4 3133 B10R1.176 COc1ccc(c(c1)I)Cl 34a_100000049588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3134 B10R1.176 COc1ccc(c(c1)I)Cl 7a_100000049588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3135 B10R1.176 COc1ccc(c(c1)I)N 34a_100010084370_200000210301 [1,1,0,0,0,0|2,0,0]=4 3136 B10R1.176 COc1ccc(c(c1)I)N 7a_100010084370_200000210301 [1,1,0,0,0,0|2,0,0]=4 3137 B10R1.176 COc1ccc(c(c1)N)Br 34a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 3138 B10R1.176 COc1ccc(c(c1)N)Br 7a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 3139 B10R1.176 COc1ccc(c(c1)N)C 34a_100011216113_200000210301 [1,1,0,0,0,0|1,0,1]=4 3140 B10R1.176 COc1ccc(c(c1)N)C 7a_100011216113_200000210301 [1,1,0,0,0,0|1,0,1]=4 3141 B10R1.176 COc1ccc(c(c1)N)Cl 34a_100011934297_200000210301 [1,1,0,0,0,0|2,0,0]=4 3142 B10R1.176 COc1ccc(c(c1)N)F 34a_100012017239_200000210301 [1,1,0,0,0,0|2,0,0]=4 3143 B10R1.176 COc1ccc(c(c1)N)F 7a_100012017239_200000210301 [1,1,0,0,0,0|2,0,0]=4 3144 B10R1.176 COc1ccc(c(c1)N)N 34a_100025771000_200000210301 [1,1,0,0,0,0|2,0,0]=4 3145 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,1,0,0,0,0|1,0,1]=4 3146 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [1,1,0,0,0,0|2,0,0]=4 3147 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [1,1,0,0,0,0|1,0,1]=4 3148 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [1,1,0,0,0,0|2,0,0]=4 3149 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [1,1,0,0,0,0|2,0,0]=4 3150 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [1,1,0,0,0,0|2,0,0]=4 3151 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,1,0,0,0,0|1,0,1]=4 3152 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,1,0,0,0,0|1,0,1]=4 3153 B10R1.176 CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_200000210301 [1,1,0,0,0,0|2,0,0]=4 3154 B10R1.176 CSc1c[nH]c(=O)c(c1)Br 62a_200000210301_100010125443 [1,1,0,0,0,0|2,0,0]=4 3155 B10R1.176 CSc1c[nH]c(=O)c(c1)F 62a_100000723523_200000210301 [1,1,0,0,0,0|2,0,0]=4 3156 B10R1.176 CSc1c[nH]c(=O)c(c1)F 62a_200000210301_100000723523 [1,1,0,0,0,0|2,0,0]=4 3157 B10R1.176 CSc1c[nH]c(=O)c(c1)O 62a_200000210301_100009814561 [1,1,0,0,0,0|2,0,0]=4 3158 B10R1.176 CSc1ccc(=O)n(c1)C 62a_100011245003_200000210301 [1,1,0,0,0,0|2,0,0]=4 3159 B10R1.176 CSc1ccc(=O)n(c1)C 62a_200000210301_100011245003 [1,1,0,0,0,0|2,0,0]=4 3160 B10R1.176 CSc1ccc(c(c1)Br)Br 62a_100012356285_200000210301 [1,1,0,0,0,0|2,0,0]=4 3161 B10R1.176 CSc1ccc(c(c1)Br)Br 62a_200000210301_100012356285 [1,1,0,0,0,0|2,0,0]=4 3162 B10R1.176 CSc1ccc(c(c1)Br)C 62a_100011847877_200000210301 [1,1,0,0,0,0|1,0,1]=4 3163 B10R1.176 CSc1ccc(c(c1)Br)C 62a_200000210301_100011847877 [1,1,0,0,0,0|1,0,1]=4 3164 B10R1.176 CSc1ccc(c(c1)Br)Cl 62a_100012353702_200000210301 [1,1,0,0,0,0|2,0,0]=4 3165 B10R1.176 CSc1ccc(c(c1)Br)Cl 62a_200000210301_100012353702 [1,1,0,0,0,0|2,0,0]=4 3166 B10R1.176 CSc1ccc(c(c1)Br)F 62a_100012047266_200000210301 [1,1,0,0,0,0|2,0,0]=4 3167 B10R1.176 CSc1ccc(c(c1)Br)F 62a_200000210301_100012047266 [1,1,0,0,0,0|2,0,0]=4 3168 B10R1.176 CSc1ccc(c(c1)Br)N 62a_100000750455_200000210301 [1,1,0,0,0,0|2,0,0]=4 3169 B10R1.176 CSc1ccc(c(c1)Br)N 62a_200000210301_100000750455 [1,1,0,0,0,0|2,0,0]=4 3170 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [1,1,0,0,0,0|1,0,1]=4 3171 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [1,1,0,0,0,0|1,0,1]=4 3172 B10R1.176 CSc1ccc(c(c1)C)Br 62a_100009813585_200000210301 [1,1,0,0,0,0|2,0,0]=4 3173 B10R1.176 CSc1ccc(c(c1)C)Br 62a_200000210301_100009813585 [1,1,0,0,0,0|2,0,0]=4 3174 B10R1.176 CSc1ccc(c(c1)C)C 62a_100011215607_200000210301 [1,1,0,0,0,0|1,0,1]=4 3175 B10R1.176 CSc1ccc(c(c1)C)C 62a_200000210301_100011215607 [1,1,0,0,0,0|1,0,1]=4 3176 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_100000049509_200000210301 [1,1,0,0,0,0|2,0,0]=4 3177 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_200000210301_100000049509 [1,1,0,0,0,0|2,0,0]=4 3178 B10R1.176 CSc1ccc(c(c1)C)F 62a_100011218330_200000210301 [1,1,0,0,0,0|2,0,0]=4 3179 B10R1.176 CSc1ccc(c(c1)C)F 62a_200000210301_100011218330 [1,1,0,0,0,0|2,0,0]=4 3180 B10R1.176 CSc1ccc(c(c1)C)N 62a_100000211769_200000210301 [1,1,0,0,0,0|2,0,0]=4 3181 B10R1.176 CSc1ccc(c(c1)C)N 62a_200000210301_100000211769 [1,1,0,0,0,0|2,0,0]=4 3182 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,1,0,0,0,0|1,0,1]=4 3183 B10R1.176 CSc1ccc(c(c1)Cl)Br 62a_100012047281_200000210301 [1,1,0,0,0,0|2,0,0]=4 3184 B10R1.176 CSc1ccc(c(c1)Cl)Br 62a_200000210301_100012047281 [1,1,0,0,0,0|2,0,0]=4 3185 B10R1.176 CSc1ccc(c(c1)Cl)C 62a_100011216363_200000210301 [1,1,0,0,0,0|1,0,1]=4 3186 B10R1.176 CSc1ccc(c(c1)Cl)C 62a_200000210301_100011216363 [1,1,0,0,0,0|1,0,1]=4 3187 B10R1.176 CSc1ccc(c(c1)Cl)Cl 62a_100011214914_200000210301 [1,1,0,0,0,0|2,0,0]=4 3188 B10R1.176 CSc1ccc(c(c1)Cl)Cl 62a_200000210301_100011214914 [1,1,0,0,0,0|2,0,0]=4 3189 B10R1.176 CSc1ccc(c(c1)Cl)F 62a_100011215976_200000210301 [1,1,0,0,0,0|2,0,0]=4 3190 B10R1.176 CSc1ccc(c(c1)Cl)F 62a_200000210301_100011215976 [1,1,0,0,0,0|2,0,0]=4 3191 B10R1.176 CSc1ccc(c(c1)Cl)N 62a_100011218065_200000210301 [1,1,0,0,0,0|2,0,0]=4 3192 B10R1.176 CSc1ccc(c(c1)Cl)N 62a_200000210301_100011218065 [1,1,0,0,0,0|2,0,0]=4 3193 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [1,1,0,0,0,0|1,0,1]=4 3194 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [1,1,0,0,0,0|1,0,1]=4 3195 B10R1.176 CSc1ccc(c(c1)F)Br 62a_100000685389_200000210301 [1,1,0,0,0,0|2,0,0]=4 3196 B10R1.176 CSc1ccc(c(c1)F)Br 62a_200000210301_100000685389 [1,1,0,0,0,0|2,0,0]=4 3197 B10R1.176 CSc1ccc(c(c1)F)C 62a_100000720648_200000210301 [1,1,0,0,0,0|1,0,1]=4 3198 B10R1.176 CSc1ccc(c(c1)F)C 62a_200000210301_100000720648 [1,1,0,0,0,0|1,0,1]=4 3199 B10R1.176 CSc1ccc(c(c1)F)Cl 62a_100011216805_200000210301 [1,1,0,0,0,0|2,0,0]=4 3200 B10R1.176 CSc1ccc(c(c1)F)Cl 62a_200000210301_100011216805 [1,1,0,0,0,0|2,0,0]=4 3201 B10R1.176 CSc1ccc(c(c1)F)F 62a_100000703953_200000210301 [1,1,0,0,0,0|2,0,0]=4 3202 B10R1.176 CSc1ccc(c(c1)F)F 62a_200000210301_100000703953 [1,1,0,0,0,0|2,0,0]=4 3203 B10R1.176 CSc1ccc(c(c1)F)N 62a_100011215594_200000210301 [1,1,0,0,0,0|2,0,0]=4 3204 B10R1.176 CSc1ccc(c(c1)F)N 62a_200000210301_100011215594 [1,1,0,0,0,0|2,0,0]=4 3205 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [1,1,0,0,0,0|1,0,1]=4 3206 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [1,1,0,0,0,0|1,0,1]=4 3207 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [1,1,0,0,0,0|1,0,1]=4 3208 B10R1.176 CSc1ccc(c(c1)N)Br 62a_100000750456_200000210301 [1,1,0,0,0,0|2,0,0]=4 3209 B10R1.176 CSc1ccc(c(c1)N)Br 62a_200000210301_100000750456 [1,1,0,0,0,0|2,0,0]=4 3210 B10R1.176 CSc1ccc(c(c1)N)C 62a_100000761890_200000210301 [1,1,0,0,0,0|1,0,1]=4 3211 B10R1.176 CSc1ccc(c(c1)N)C 62a_200000210301_100000761890 [1,1,0,0,0,0|1,0,1]=4 3212 B10R1.176 CSc1ccc(c(c1)N)Cl 62a_200000210301_200000761891 [1,1,0,0,0,0|2,0,0]=4 3213 B10R1.176 CSc1ccc(c(c1)N)Cl 62a_200000761891_200000210301 [1,1,0,0,0,0|2,0,0]=4 3214 B10R1.176 CSc1ccc(c(c1)N)F 62a_100000740924_200000210301 [1,1,0,0,0,0|2,0,0]=4 3215 B10R1.176 CSc1ccc(c(c1)N)F 62a_200000210301_100000740924 [1,1,0,0,0,0|2,0,0]=4 3216 B10R1.176 CSc1ccc(c(c1)N)N 62a_100000741789_200000210301 [1,1,0,0,0,0|2,0,0]=4 3217 B10R1.176 CSc1ccc(c(c1)N)N 62a_200000210301_100011534411 [1,1,0,0,0,0|2,0,0]=4 3218 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,1,0,0,0,0|1,0,1]=4 3219 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,1,0,0,0,0|1,0,1]=4 3220 B10R1.176 CSc1ccc(c(c1)O)Br 62a_100012356990_200000210301 [1,1,0,0,0,0|2,0,0]=4 3221 B10R1.176 CSc1ccc(c(c1)O)Br 62a_200000210301_100012356990 [1,1,0,0,0,0|2,0,0]=4 3222 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [1,1,0,0,0,0|1,0,1]=4 3223 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [1,1,0,0,0,0|1,0,1]=4 3224 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_100011356854_200000210301 [1,1,0,0,0,0|2,0,0]=4 3225 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_200000210301_100011356854 [1,1,0,0,0,0|2,0,0]=4 3226 B10R1.176 CSc1ccc(c(c1)O)F 271570a_203496583355_200010708804 [1,1,0,0,0,0|2,0,0]=4 3227 B10R1.176 CSc1ccc(c(c1)O)F 62a_100000686035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3228 B10R1.176 CSc1ccc(c(c1)O)F 62a_200000210301_100000686035 [1,1,0,0,0,0|2,0,0]=4 3229 B10R1.176 CSc1ccc(c(c1)O)N 62a_100000739049_200000210301 [1,1,0,0,0,0|2,0,0]=4 3230 B10R1.176 CSc1ccc(c(c1)O)N 62a_200000210301_100000739049 [1,1,0,0,0,0|2,0,0]=4 3231 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,1,0,0,0,0|1,0,1]=4 3232 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 2230a_100000210723_200025704644 [1,1,0,0,0,0|2,0,0]=4 3233 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 34a_100000210723_200025704644 [1,1,0,0,0,0|2,0,0]=4 3234 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 7a_100000210723_200025704644 [1,1,0,0,0,0|2,0,0]=4 3235 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 34a_100000690111_200025704644 [1,1,0,0,0,0|2,0,0]=4 3236 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 7a_100000690111_200025704644 [1,1,0,0,0,0|2,0,0]=4 3237 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_100009813585_200025704644 [1,1,0,0,0,0|2,0,0]=4 3238 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_200025704644_100009813585 [1,1,0,0,0,0|2,0,0]=4 3239 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 2230a_100000187808_200025704644 [1,1,0,0,0,0|2,0,0]=4 3240 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 34a_100000187808_200025704644 [1,1,0,0,0,0|2,0,0]=4 3241 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 7a_100000187808_200025704644 [1,1,0,0,0,0|2,0,0]=4 3242 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 34a_100000211092_200025704644 [1,1,0,0,0,0|2,0,0]=4 3243 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 7a_100000211092_200025704644 [1,1,0,0,0,0|2,0,0]=4 3244 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_100000049509_200025704644 [1,1,0,0,0,0|2,0,0]=4 3245 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100000049509 [1,1,0,0,0,0|2,0,0]=4 3246 B10R1.176 Cc1cc(ccc1F)N[13CH3] 2230a_100000750164_200025704644 [1,1,0,0,0,0|2,0,0]=4 3247 B10R1.176 Cc1cc(ccc1F)N[13CH3] 34a_100000750164_200025704644 [1,1,0,0,0,0|2,0,0]=4 3248 B10R1.176 Cc1cc(ccc1F)N[13CH3] 7a_100000750164_200025704644 [1,1,0,0,0,0|2,0,0]=4 3249 B10R1.176 Cc1cc(ccc1F)O[13CH3] 34a_100000751312_200025704644 [1,1,0,0,0,0|2,0,0]=4 3250 B10R1.176 Cc1cc(ccc1F)O[13CH3] 7a_100000751312_200025704644 [1,1,0,0,0,0|2,0,0]=4 3251 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_100011218330_200025704644 [1,1,0,0,0,0|2,0,0]=4 3252 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_200025704644_100011218330 [1,1,0,0,0,0|2,0,0]=4 3253 B10R1.176 Cc1cc(ccc1I)N[13CH3] 34a_100000198070_200025704644 [1,1,0,0,0,0|2,0,0]=4 3254 B10R1.176 Cc1cc(ccc1I)N[13CH3] 7a_100000198070_200025704644 [1,1,0,0,0,0|2,0,0]=4 3255 B10R1.176 Cc1cc(ccc1I)O[13CH3] 34a_100000729255_200025704644 [1,1,0,0,0,0|2,0,0]=4 3256 B10R1.176 Cc1cc(ccc1I)O[13CH3] 7a_100000729255_200025704644 [1,1,0,0,0,0|2,0,0]=4 3257 B10R1.176 Cc1cc(ccc1N)O[13CH3] 34a_100000756630_200025704644 [1,1,0,0,0,0|2,0,0]=4 3258 B10R1.176 Cc1cc(ccc1N)O[13CH3] 7a_100000756630_200025704644 [1,1,0,0,0,0|2,0,0]=4 3259 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_100000211769_200025704644 [1,1,0,0,0,0|2,0,0]=4 3260 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_200025704644_100000211769 [1,1,0,0,0,0|2,0,0]=4 3261 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,1,0,0,0,0|1,0,0]=3 3262 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,1,0,0,0,0|1,0,1]=4 3263 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,1,0,0,0,0|1,0,1]=4 3264 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,1,0,0,0,0|1,0,1]=4 3265 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,1,0,0,0,0|1,0,1]=4 3266 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,1,0,0,0,0|1,0,1]=4 3267 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,1,0,0,0,0|2,0,0]=4 3268 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,1,0,0,0,0|2,0,0]=4 3269 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 2230a_100000736455_200025704644 [1,1,0,0,0,0|1,0,1]=4 3270 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 34a_100000736455_200025704644 [1,1,0,0,0,0|1,0,1]=4 3271 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 7a_100000736455_200025704644 [1,1,0,0,0,0|1,0,1]=4 3272 B10R1.176 Cc1ccc(cc1Br)O[13CH3] 34a_100011380479_200025704644 [1,1,0,0,0,0|1,0,1]=4 3273 B10R1.176 Cc1ccc(cc1Br)O[13CH3] 7a_100011380479_200025704644 [1,1,0,0,0,0|1,0,1]=4 3274 B10R1.176 Cc1ccc(cc1Br)S[13CH3] 62a_100011847877_200025704644 [1,1,0,0,0,0|1,0,1]=4 3275 B10R1.176 Cc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011847877 [1,1,0,0,0,0|1,0,1]=4 3276 B10R1.176 Cc1ccc(cc1C)N[13CH3] 2230a_100000724040_200025704644 [1,1,0,0,0,0|1,0,1]=4 3277 B10R1.176 Cc1ccc(cc1C)N[13CH3] 34a_100000724040_200025704644 [1,1,0,0,0,0|1,0,1]=4 3278 B10R1.176 Cc1ccc(cc1C)N[13CH3] 7a_100000724040_200025704644 [1,1,0,0,0,0|1,0,1]=4 3279 B10R1.176 Cc1ccc(cc1C)O[13CH3] 34a_100000210932_200025704644 [1,1,0,0,0,0|1,0,1]=4 3280 B10R1.176 Cc1ccc(cc1C)O[13CH3] 7a_100000210932_200025704644 [1,1,0,0,0,0|1,0,1]=4 3281 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_100011215607_200025704644 [1,1,0,0,0,0|1,0,1]=4 3282 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_200025704644_100011215607 [1,1,0,0,0,0|1,0,1]=4 3283 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 2230a_100000188892_200025704644 [1,1,0,0,0,0|1,0,1]=4 3284 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 34a_100000188892_200025704644 [1,1,0,0,0,0|1,0,1]=4 3285 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 7a_100000188892_200025704644 [1,1,0,0,0,0|1,0,1]=4 3286 B10R1.176 Cc1ccc(cc1Cl)O[13CH3] 34a_100011265682_200025704644 [1,1,0,0,0,0|1,0,1]=4 3287 B10R1.176 Cc1ccc(cc1Cl)O[13CH3] 7a_100011265682_200025704644 [1,1,0,0,0,0|1,0,1]=4 3288 B10R1.176 Cc1ccc(cc1Cl)S[13CH3] 62a_100011216363_200025704644 [1,1,0,0,0,0|1,0,1]=4 3289 B10R1.176 Cc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100011216363 [1,1,0,0,0,0|1,0,1]=4 3290 B10R1.176 Cc1ccc(cc1F)N[13CH3] 2230a_100000210958_200025704644 [1,1,0,0,0,0|1,0,1]=4 3291 B10R1.176 Cc1ccc(cc1F)N[13CH3] 34a_100000210958_200025704644 [1,1,0,0,0,0|1,0,1]=4 3292 B10R1.176 Cc1ccc(cc1F)N[13CH3] 7a_100000210958_200025704644 [1,1,0,0,0,0|1,0,1]=4 3293 B10R1.176 Cc1ccc(cc1F)O[13CH3] 34a_100000722560_200025704644 [1,1,0,0,0,0|1,0,1]=4 3294 B10R1.176 Cc1ccc(cc1F)O[13CH3] 7a_100000722560_200025704644 [1,1,0,0,0,0|1,0,1]=4 3295 B10R1.176 Cc1ccc(cc1F)S[13CH3] 62a_100000720648_200025704644 [1,1,0,0,0,0|1,0,1]=4 3296 B10R1.176 Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100000720648 [1,1,0,0,0,0|1,0,1]=4 3297 B10R1.176 Cc1ccc(cc1I)N[13CH3] 34a_100000184131_200025704644 [1,1,0,0,0,0|1,0,1]=4 3298 B10R1.176 Cc1ccc(cc1I)N[13CH3] 7a_100000184131_200025704644 [1,1,0,0,0,0|1,0,1]=4 3299 B10R1.176 Cc1ccc(cc1N)O[13CH3] 34a_100011216113_200025704644 [1,1,0,0,0,0|1,0,1]=4 3300 B10R1.176 Cc1ccc(cc1N)O[13CH3] 7a_100011216113_200025704644 [1,1,0,0,0,0|1,0,1]=4 3301 B10R1.176 Cc1ccc(cc1N)S[13CH3] 62a_100000761890_200025704644 [1,1,0,0,0,0|1,0,1]=4 3302 B10R1.176 Cc1ccc(cc1N)S[13CH3] 62a_200025704644_100000761890 [1,1,0,0,0,0|1,0,1]=4 3303 B10R1.176 Cc1ccc(cc1O)C#N 271570a_203496583355_100000690169 [1,1,0,0,0,0|1,0,1]=4 3304 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,1,0,0,0,0|0,0,0]=2 3305 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,1,0,0,0,0|0,0,2]=4 3306 B10R1.176 Cc1ccc(cc1O)NN 271570a_203496583355_100016991967 [1,1,0,0,0,0|2,0,0]=4 3307 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [1,1,0,0,0,0|1,0,1]=4 3308 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [1,1,0,0,0,0|1,0,1]=4 3309 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [1,1,0,0,0,0|1,0,1]=4 3310 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [1,1,0,0,0,0|1,0,1]=4 3311 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [1,1,0,0,0,0|1,0,0]=3 3312 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,1,0,0,0,0|2,0,0]=4 3313 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_100011245003_200025704644 [1,1,0,0,0,0|2,0,0]=4 3314 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_200025704644_100011245003 [1,1,0,0,0,0|2,0,0]=4 3315 B10R1.176 NCc1ccc(c(c1)F)O 271570a_203496583355_100000755036 [1,1,0,0,0,0|1,0,1]=4 3316 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [1,1,0,0,0,0|2,0,0]=4 3317 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [1,1,0,0,0,0|1,0,1]=4 3318 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [1,1,0,0,0,0|2,0,0]=4 3319 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,1,0,0,0,0|1,0,0]=3 3320 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,1,0,0,0,0|1,0,0]=3 3321 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,1,0,0,0,0|1,0,0]=3 3322 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,1,0,0,0,0|1,0,0]=3 3323 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,1,0,0,0,0|1,0,0]=3 3324 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,1,0,0,0,0|1,0,0]=3 3325 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,1,0,0,0,0|2,0,0]=4 3326 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,1,0,0,0,0|2,0,0]=4 3327 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [1,1,0,0,0,0|1,0,1]=4 3328 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [1,1,0,0,0,0|1,0,1]=4 3329 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,1,0,0,0,0|2,0,0]=4 3330 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,1,0,0,0,0|1,0,1]=4 3331 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,1,0,0,0,0|1,0,1]=4 3332 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Br 2230a_100011306057_200025704644 [1,1,0,0,0,0|2,0,0]=4 3333 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Br 34a_100011306057_200025704644 [1,1,0,0,0,0|2,0,0]=4 3334 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Br 7a_100011306057_200025704644 [1,1,0,0,0,0|2,0,0]=4 3335 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Cl 2230a_100000686031_200025704644 [1,1,0,0,0,0|2,0,0]=4 3336 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Cl 34a_100000686031_200025704644 [1,1,0,0,0,0|2,0,0]=4 3337 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)F 2230a_100000760356_200025704644 [1,1,0,0,0,0|2,0,0]=4 3338 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)F 34a_100000760356_200025704644 [1,1,0,0,0,0|2,0,0]=4 3339 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)F 7a_100000760356_200025704644 [1,1,0,0,0,0|2,0,0]=4 3340 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)I 34a_100000750458_200025704644 [1,1,0,0,0,0|2,0,0]=4 3341 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [1,1,0,0,0,0|1,0,1]=4 3342 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Br 2230a_100000687081_200025704644 [1,1,0,0,0,0|2,0,0]=4 3343 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Br 34a_100000687081_200025704644 [1,1,0,0,0,0|2,0,0]=4 3344 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Br 7a_100000687081_200025704644 [1,1,0,0,0,0|2,0,0]=4 3345 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Cl 2230a_100000184108_200025704644 [1,1,0,0,0,0|2,0,0]=4 3346 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Cl 34a_100000184108_200025704644 [1,1,0,0,0,0|2,0,0]=4 3347 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)F 2230a_100000211060_200025704644 [1,1,0,0,0,0|2,0,0]=4 3348 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)F 34a_100000211060_200025704644 [1,1,0,0,0,0|2,0,0]=4 3349 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)F 7a_100000211060_200025704644 [1,1,0,0,0,0|2,0,0]=4 3350 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)I 34a_100000761885_200025704644 [1,1,0,0,0,0|2,0,0]=4 3351 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [1,1,0,0,0,0|1,0,1]=4 3352 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Br 2230a_100000759894_200025704644 [1,1,0,0,0,0|2,0,0]=4 3353 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Br 34a_100000759894_200025704644 [1,1,0,0,0,0|2,0,0]=4 3354 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Br 7a_100000759894_200025704644 [1,1,0,0,0,0|2,0,0]=4 3355 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Cl 2230a_100000739366_200025704644 [1,1,0,0,0,0|2,0,0]=4 3356 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Cl 34a_100000739366_200025704644 [1,1,0,0,0,0|2,0,0]=4 3357 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Cl 7a_100000739366_200025704644 [1,1,0,0,0,0|2,0,0]=4 3358 B10R1.176 [13CH3]Nc1ccc(c(c1)F)F 2230a_100000210724_200025704644 [1,1,0,0,0,0|2,0,0]=4 3359 B10R1.176 [13CH3]Nc1ccc(c(c1)F)F 34a_100000210724_200025704644 [1,1,0,0,0,0|2,0,0]=4 3360 B10R1.176 [13CH3]Nc1ccc(c(c1)F)F 7a_100000210724_200025704644 [1,1,0,0,0,0|2,0,0]=4 3361 B10R1.176 [13CH3]Nc1ccc(c(c1)F)I 34a_100011356925_200025704644 [1,1,0,0,0,0|2,0,0]=4 3362 B10R1.176 [13CH3]Nc1ccc(c(c1)F)I 7a_100011356925_200025704644 [1,1,0,0,0,0|2,0,0]=4 3363 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [1,1,0,0,0,0|1,0,1]=4 3364 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [1,1,0,0,0,0|1,0,1]=4 3365 B10R1.176 [13CH3]Nc1ccc(c(c1)I)Br 34a_100000750459_200025704644 [1,1,0,0,0,0|2,0,0]=4 3366 B10R1.176 [13CH3]Nc1ccc(c(c1)I)Cl 34a_100012360549_200025704644 [1,1,0,0,0,0|2,0,0]=4 3367 B10R1.176 [13CH3]Nc1ccc(c(c1)I)F 34a_114828291077_200025704644 [1,1,0,0,0,0|2,0,0]=4 3368 B10R1.176 [13CH3]Nc1ccc(c(c1)I)F 7a_114828291077_200025704644 [1,1,0,0,0,0|2,0,0]=4 3369 B10R1.176 [13CH3]Nc1ccc(c(c1)O)Cl 34a_100011934209_200025704644 [1,1,0,0,0,0|2,0,0]=4 3370 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 34a_100012017398_200025704644 [1,1,0,0,0,0|2,0,0]=4 3371 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 7a_100012017398_200025704644 [1,1,0,0,0,0|2,0,0]=4 3372 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,1,0,0,0,0|1,0,1]=4 3373 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)Cl 34a_100011933957_200025704644 [1,1,0,0,0,0|2,0,0]=4 3374 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)Cl 7a_100011933957_200025704644 [1,1,0,0,0,0|2,0,0]=4 3375 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)F 34a_100000693481_200025704644 [1,1,0,0,0,0|2,0,0]=4 3376 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)F 7a_100000693481_200025704644 [1,1,0,0,0,0|2,0,0]=4 3377 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)I 34a_100000701344_200025704644 [1,1,0,0,0,0|2,0,0]=4 3378 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)I 7a_100000701344_200025704644 [1,1,0,0,0,0|2,0,0]=4 3379 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)N 34a_100012001276_200025704644 [1,1,0,0,0,0|2,0,0]=4 3380 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)N 7a_100012001276_200025704644 [1,1,0,0,0,0|2,0,0]=4 3381 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Br 34a_100011215161_200025704644 [1,1,0,0,0,0|2,0,0]=4 3382 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Br 7a_100011215161_200025704644 [1,1,0,0,0,0|2,0,0]=4 3383 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Cl 34a_100000211054_200025704644 [1,1,0,0,0,0|2,0,0]=4 3384 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Cl 7a_100000211054_200025704644 [1,1,0,0,0,0|2,0,0]=4 3385 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)F 34a_100000211030_200025704644 [1,1,0,0,0,0|2,0,0]=4 3386 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)F 7a_100000211030_200025704644 [1,1,0,0,0,0|2,0,0]=4 3387 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)I 34a_100000047559_200025704644 [1,1,0,0,0,0|2,0,0]=4 3388 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)I 7a_100000047559_200025704644 [1,1,0,0,0,0|2,0,0]=4 3389 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)N 34a_100011215599_200025704644 [1,1,0,0,0,0|2,0,0]=4 3390 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)N 7a_100011215599_200025704644 [1,1,0,0,0,0|2,0,0]=4 3391 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Br 34a_100000755031_200025704644 [1,1,0,0,0,0|2,0,0]=4 3392 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Br 7a_100000755031_200025704644 [1,1,0,0,0,0|2,0,0]=4 3393 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Cl 34a_100000691581_200025704644 [1,1,0,0,0,0|2,0,0]=4 3394 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Cl 7a_100000691581_200025704644 [1,1,0,0,0,0|2,0,0]=4 3395 B10R1.176 [13CH3]Oc1ccc(c(c1)F)F 34a_100000181275_200025704644 [1,1,0,0,0,0|2,0,0]=4 3396 B10R1.176 [13CH3]Oc1ccc(c(c1)F)F 7a_100000181275_200025704644 [1,1,0,0,0,0|2,0,0]=4 3397 B10R1.176 [13CH3]Oc1ccc(c(c1)F)I 34a_100009990212_200025704644 [1,1,0,0,0,0|2,0,0]=4 3398 B10R1.176 [13CH3]Oc1ccc(c(c1)F)I 7a_100009990212_200025704644 [1,1,0,0,0,0|2,0,0]=4 3399 B10R1.176 [13CH3]Oc1ccc(c(c1)F)N 34a_100000759473_200025704644 [1,1,0,0,0,0|2,0,0]=4 3400 B10R1.176 [13CH3]Oc1ccc(c(c1)F)N 7a_100000759473_200025704644 [1,1,0,0,0,0|2,0,0]=4 3401 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Br 34a_100012339312_200025704644 [1,1,0,0,0,0|2,0,0]=4 3402 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Br 7a_100012339312_200025704644 [1,1,0,0,0,0|2,0,0]=4 3403 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Cl 34a_100000049588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3404 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Cl 7a_100000049588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3405 B10R1.176 [13CH3]Oc1ccc(c(c1)I)N 34a_100010084370_200025704644 [1,1,0,0,0,0|2,0,0]=4 3406 B10R1.176 [13CH3]Oc1ccc(c(c1)I)N 7a_100010084370_200025704644 [1,1,0,0,0,0|2,0,0]=4 3407 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Br 34a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 3408 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Br 7a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 3409 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Cl 34a_100011934297_200025704644 [1,1,0,0,0,0|2,0,0]=4 3410 B10R1.176 [13CH3]Oc1ccc(c(c1)N)F 34a_100012017239_200025704644 [1,1,0,0,0,0|2,0,0]=4 3411 B10R1.176 [13CH3]Oc1ccc(c(c1)N)F 7a_100012017239_200025704644 [1,1,0,0,0,0|2,0,0]=4 3412 B10R1.176 [13CH3]Oc1ccc(c(c1)N)N 34a_100025771000_200025704644 [1,1,0,0,0,0|2,0,0]=4 3413 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)Br 62a_100010125443_200025704644 [1,1,0,0,0,0|2,0,0]=4 3414 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)Br 62a_200025704644_100010125443 [1,1,0,0,0,0|2,0,0]=4 3415 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)F 62a_100000723523_200025704644 [1,1,0,0,0,0|2,0,0]=4 3416 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)F 62a_200025704644_100000723523 [1,1,0,0,0,0|2,0,0]=4 3417 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)O 62a_200025704644_100009814561 [1,1,0,0,0,0|2,0,0]=4 3418 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Br 62a_100012356285_200025704644 [1,1,0,0,0,0|2,0,0]=4 3419 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Br 62a_200025704644_100012356285 [1,1,0,0,0,0|2,0,0]=4 3420 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Cl 62a_100012353702_200025704644 [1,1,0,0,0,0|2,0,0]=4 3421 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Cl 62a_200025704644_100012353702 [1,1,0,0,0,0|2,0,0]=4 3422 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)F 62a_100012047266_200025704644 [1,1,0,0,0,0|2,0,0]=4 3423 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)F 62a_200025704644_100012047266 [1,1,0,0,0,0|2,0,0]=4 3424 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)N 62a_100000750455_200025704644 [1,1,0,0,0,0|2,0,0]=4 3425 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)N 62a_200025704644_100000750455 [1,1,0,0,0,0|2,0,0]=4 3426 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [1,1,0,0,0,0|1,0,1]=4 3427 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [1,1,0,0,0,0|1,0,1]=4 3428 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Br 62a_100012047281_200025704644 [1,1,0,0,0,0|2,0,0]=4 3429 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Br 62a_200025704644_100012047281 [1,1,0,0,0,0|2,0,0]=4 3430 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Cl 62a_100011214914_200025704644 [1,1,0,0,0,0|2,0,0]=4 3431 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Cl 62a_200025704644_100011214914 [1,1,0,0,0,0|2,0,0]=4 3432 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)F 62a_100011215976_200025704644 [1,1,0,0,0,0|2,0,0]=4 3433 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)F 62a_200025704644_100011215976 [1,1,0,0,0,0|2,0,0]=4 3434 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)N 62a_100011218065_200025704644 [1,1,0,0,0,0|2,0,0]=4 3435 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)N 62a_200025704644_100011218065 [1,1,0,0,0,0|2,0,0]=4 3436 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [1,1,0,0,0,0|1,0,1]=4 3437 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [1,1,0,0,0,0|1,0,1]=4 3438 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Br 62a_100000685389_200025704644 [1,1,0,0,0,0|2,0,0]=4 3439 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Br 62a_200025704644_100000685389 [1,1,0,0,0,0|2,0,0]=4 3440 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Cl 62a_100011216805_200025704644 [1,1,0,0,0,0|2,0,0]=4 3441 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Cl 62a_200025704644_100011216805 [1,1,0,0,0,0|2,0,0]=4 3442 B10R1.176 [13CH3]Sc1ccc(c(c1)F)F 62a_100000703953_200025704644 [1,1,0,0,0,0|2,0,0]=4 3443 B10R1.176 [13CH3]Sc1ccc(c(c1)F)F 62a_200025704644_100000703953 [1,1,0,0,0,0|2,0,0]=4 3444 B10R1.176 [13CH3]Sc1ccc(c(c1)F)N 62a_100011215594_200025704644 [1,1,0,0,0,0|2,0,0]=4 3445 B10R1.176 [13CH3]Sc1ccc(c(c1)F)N 62a_200025704644_100011215594 [1,1,0,0,0,0|2,0,0]=4 3446 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [1,1,0,0,0,0|1,0,1]=4 3447 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [1,1,0,0,0,0|1,0,1]=4 3448 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Br 62a_100000750456_200025704644 [1,1,0,0,0,0|2,0,0]=4 3449 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Br 62a_200025704644_100000750456 [1,1,0,0,0,0|2,0,0]=4 3450 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Cl 62a_200000761891_200025704644 [1,1,0,0,0,0|2,0,0]=4 3451 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Cl 62a_200025704644_200000761891 [1,1,0,0,0,0|2,0,0]=4 3452 B10R1.176 [13CH3]Sc1ccc(c(c1)N)F 62a_100000740924_200025704644 [1,1,0,0,0,0|2,0,0]=4 3453 B10R1.176 [13CH3]Sc1ccc(c(c1)N)F 62a_200025704644_100000740924 [1,1,0,0,0,0|2,0,0]=4 3454 B10R1.176 [13CH3]Sc1ccc(c(c1)N)N 62a_100000741789_200025704644 [1,1,0,0,0,0|2,0,0]=4 3455 B10R1.176 [13CH3]Sc1ccc(c(c1)N)N 62a_200025704644_100011534411 [1,1,0,0,0,0|2,0,0]=4 3456 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,1,0,0,0,0|1,0,1]=4 3457 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,1,0,0,0,0|1,0,1]=4 3458 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_100012356990_200025704644 [1,1,0,0,0,0|2,0,0]=4 3459 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_200025704644_100012356990 [1,1,0,0,0,0|2,0,0]=4 3460 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_100011356854_200025704644 [1,1,0,0,0,0|2,0,0]=4 3461 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_200025704644_100011356854 [1,1,0,0,0,0|2,0,0]=4 3462 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_100000686035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3463 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_200025704644_100000686035 [1,1,0,0,0,0|2,0,0]=4 3464 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_100000739049_200025704644 [1,1,0,0,0,0|2,0,0]=4 3465 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_200025704644_100000739049 [1,1,0,0,0,0|2,0,0]=4 3466 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,1,0,0,0,0|1,0,1]=4 3467 B10R1.31 C=C(C)c1cc(c[nH]1)C=O 271570a_100000694244_100009882863 [0,1,0,0,1,0|1,0,1]=4 3468 B10R1.31 C=C(C)c1cc(cs1)C=O 271570a_100000694244_100000737087 [0,1,0,0,1,0|1,0,1]=4 3469 B10R1.31 C=C(C)c1ccc(o1)C=O 271570a_100000694244_100000185145 [0,1,0,0,1,0|1,0,1]=4 3470 B10R1.31 C=C(C)c1ccc(s1)C=O 271570a_100000694244_100000179771 [0,1,0,0,1,0|1,0,1]=4 3471 B10R1.31 C=C(C)c1ccc(s1)CC 271570a_100000694244_100009844052 [0,1,0,0,1,0|2,0,0]=4 3472 B10R1.31 C=C(C)c1coc(c1)C=O 271570a_100000694244_100000747035 [0,1,0,0,1,0|1,0,1]=4 3473 B10R1.31 C=C(C)c1csc(c1)C=O 271570a_100000694244_100000211722 [0,1,0,0,1,0|1,0,1]=4 3474 B10R1.31 C=C(C)c1csc(c1)CC 271570a_100000694244_100009846239 [0,1,0,0,1,0|2,0,0]=4 3475 B10R1.31 C=Cc1ccc(s1)C(C)N 271570a_100011290941_100102723530 [0,1,0,0,1,0|2,0,0]=4 3476 B10R1.31 C=Cc1csc(c1)C(C)N 271570a_100011290941_100159270200 [0,1,0,0,1,0|2,0,0]=4 3477 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,1,0,0,1,0|2,0,0]=4 3478 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,1,0,0,1,0|2,0,0]=4 3479 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,1,0,0,1,0|2,0,0]=4 3480 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,1,0,0,1,0|2,0,0]=4 3481 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,1,0,0,1,0|2,0,0]=4 3482 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,1,0,0,1,0|2,0,0]=4 3483 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,1,0,0,1,0|2,0,0]=4 3484 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,1,0,0,1,0|2,0,0]=4 3485 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_100000229580_200000210301 [0,1,0,0,1,0|2,0,0]=4 3486 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_200000210301_100000229580 [0,1,0,0,1,0|2,0,0]=4 3487 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,1,0,0,1,0|2,0,0]=4 3488 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,1,0,0,1,0|2,0,0]=4 3489 B10R1.31 CSc1cc(cs1)C(=O)N 62a_100000747962_200000210301 [0,1,0,0,1,0|2,0,0]=4 3490 B10R1.31 CSc1cc(cs1)C(=O)N 62a_200000210301_100000747962 [0,1,0,0,1,0|2,0,0]=4 3491 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,1,0,0,1,0|2,0,0]=4 3492 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,1,0,0,1,0|2,0,0]=4 3493 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,1,0,0,1,0|2,0,0]=4 3494 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,1,0,0,1,0|2,0,0]=4 3495 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [0,1,0,0,1,0|2,0,0]=4 3496 B10R1.31 CSc1coc(c1)C(=O)N 62a_200000210301_200009817131 [0,1,0,0,1,0|2,0,0]=4 3497 B10R1.31 CSc1coc(c1)C(=O)N 62a_200009817131_200000210301 [0,1,0,0,1,0|2,0,0]=4 3498 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,1,0,0,1,0|2,0,0]=4 3499 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,1,0,0,1,0|2,0,0]=4 3500 B10R1.31 CSc1csc(c1)C(=O)N 62a_100009812991_200000210301 [0,1,0,0,1,0|2,0,0]=4 3501 B10R1.31 CSc1csc(c1)C(=O)N 62a_200000210301_100009812991 [0,1,0,0,1,0|2,0,0]=4 3502 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_100000229580_200025704644 [0,1,0,0,1,0|2,0,0]=4 3503 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_200025704644_100000229580 [0,1,0,0,1,0|2,0,0]=4 3504 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_100000747962_200025704644 [0,1,0,0,1,0|2,0,0]=4 3505 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_200025704644_100000747962 [0,1,0,0,1,0|2,0,0]=4 3506 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [0,1,0,0,1,0|2,0,0]=4 3507 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200009817131_200025704644 [0,1,0,0,1,0|2,0,0]=4 3508 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200025704644_200009817131 [0,1,0,0,1,0|2,0,0]=4 3509 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_100009812991_200025704644 [0,1,0,0,1,0|2,0,0]=4 3510 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_200025704644_100009812991 [0,1,0,0,1,0|2,0,0]=4 3511 B10R1.35 CCn1cc(c(n1)C=O)O 271570a_203496583355_100000763637 [0,1,0,0,1,0|2,0,0]=4 3512 B10R1.35 CSc1cc(c(s1)C=O)C 62a_100010221198_200000210301 [0,1,0,0,1,0|2,0,0]=4 3513 B10R1.35 CSc1cc(c(s1)C=O)C 62a_200000210301_100010221198 [0,1,0,0,1,0|2,0,0]=4 3514 B10R1.35 CSc1cc(sc1C)C=O 62a_100000708457_200000210301 [0,1,0,0,1,0|2,0,0]=4 3515 B10R1.35 CSc1cc(sc1C)C=O 62a_200000210301_100000708457 [0,1,0,0,1,0|2,0,0]=4 3516 B10R1.35 CSc1sc(cc1C)C=O 62a_100000761930_200000210301 [0,1,0,0,1,0|2,0,0]=4 3517 B10R1.35 CSc1sc(cc1C)C=O 62a_200000210301_100000761930 [0,1,0,0,1,0|2,0,0]=4 3518 B10R1.35 Cc1cc(sc1C=O)S[13CH3] 62a_100010221198_200025704644 [0,1,0,0,1,0|2,0,0]=4 3519 B10R1.35 Cc1cc(sc1C=O)S[13CH3] 62a_200025704644_100010221198 [0,1,0,0,1,0|2,0,0]=4 3520 B10R1.35 Cc1cc(sc1S[13CH3])C=O 62a_100000761930_200025704644 [0,1,0,0,1,0|2,0,0]=4 3521 B10R1.35 Cc1cc(sc1S[13CH3])C=O 62a_200025704644_100000761930 [0,1,0,0,1,0|2,0,0]=4 3522 B10R1.35 Cc1sc(cc1S[13CH3])C=O 62a_100000708457_200025704644 [0,1,0,0,1,0|2,0,0]=4 3523 B10R1.35 Cc1sc(cc1S[13CH3])C=O 62a_200025704644_100000708457 [0,1,0,0,1,0|2,0,0]=4 3524 B10R1.96 C=C=Cc1ccc(s1)CC 271570a_100015277604_100009844052 [0,1,0,0,1,0|2,0,0]=4 3525 B10R1.96 C=C=Cc1csc(c1)CC 271570a_100015277604_100009846239 [0,1,0,0,1,0|2,0,0]=4 3526 B10R1.96 C=Cc1ccc(o1)CNC 271570a_100011290941_100000207588 [0,1,0,0,1,0|2,0,0]=4 3527 B10R1.96 C=Cc1ccc(s1)CCC 271570a_100011290941_100010157708 [0,1,0,0,1,0|2,0,0]=4 3528 B10R1.96 C=Cc1csc(c1)CNC 271570a_100011290941_100000207611 [0,1,0,0,1,0|2,0,0]=4 3529 B10R1.96 C=Cc1csc(c1)COC 271570a_100011290941_100011542528 [0,1,0,0,1,0|2,0,0]=4 3530 B10R1.96 CC=Cc1cc(c[nH]1)C=O 271570a_100016259895_100009882863 [0,1,0,0,1,0|1,0,1]=4 3531 B10R1.96 CC=Cc1cc(cs1)C=O 271570a_100016259895_100000737087 [0,1,0,0,1,0|1,0,1]=4 3532 B10R1.96 CC=Cc1ccc(o1)C=O 271570a_100016259895_100000185145 [0,1,0,0,1,0|1,0,1]=4 3533 B10R1.96 CC=Cc1ccc(s1)C=O 271570a_100016259895_100000179771 [0,1,0,0,1,0|1,0,1]=4 3534 B10R1.96 CC=Cc1ccc(s1)CC 271570a_100016259895_100009844052 [0,1,0,0,1,0|2,0,0]=4 3535 B10R1.96 CC=Cc1coc(c1)C=O 271570a_100016259895_100000747035 [0,1,0,0,1,0|1,0,1]=4 3536 B10R1.96 CC=Cc1csc(c1)C=O 271570a_100016259895_100000211722 [0,1,0,0,1,0|1,0,1]=4 3537 B10R1.96 CC=Cc1csc(c1)CC 271570a_100016259895_100009846239 [0,1,0,0,1,0|2,0,0]=4 3538 B10R1.96 CCNc1ncc(s1)C=O 27a_100015525214_100009814069 [0,1,0,0,1,0|2,0,0]=4 3539 B10R1.96 CCSc1c[nH]c(c1)C=O 62a_100000210202_100000720742 [0,1,0,0,1,0|1,0,0]=3 3540 B10R1.96 CCSc1c[nH]c(c1)C=O 62a_100000720742_100000210202 [0,1,0,0,1,0|1,0,0]=3 3541 B10R1.96 CCSc1cc(c[nH]1)C=O 62a_100000210202_100009882863 [0,1,0,0,1,0|1,0,0]=3 3542 B10R1.96 CCSc1cc(c[nH]1)C=O 62a_100009882863_100000210202 [0,1,0,0,1,0|1,0,0]=3 3543 B10R1.96 CCSc1cc(cs1)C=O 62a_100000210202_100000737087 [0,1,0,0,1,0|1,0,0]=3 3544 B10R1.96 CCSc1cc(cs1)C=O 62a_100000737087_100000210202 [0,1,0,0,1,0|1,0,0]=3 3545 B10R1.96 CCSc1cc(on1)C=O 62a_100000210202_100009819588 [0,1,0,0,1,0|2,0,0]=4 3546 B10R1.96 CCSc1cc(on1)C=O 62a_100009819588_100000210202 [0,1,0,0,1,0|2,0,0]=4 3547 B10R1.96 CCSc1ccc([nH]1)C=O 62a_100000210202_100009875417 [0,1,0,0,1,0|1,0,0]=3 3548 B10R1.96 CCSc1ccc(o1)C=O 62a_100000210202_100000186757 [0,1,0,0,1,0|1,0,0]=3 3549 B10R1.96 CCSc1ccc(s1)C=O 62a_100000179771_100000210202 [0,1,0,0,1,0|1,0,0]=3 3550 B10R1.96 CCSc1ccc(s1)C=O 62a_100000210202_100000179771 [0,1,0,0,1,0|1,0,0]=3 3551 B10R1.96 CCSc1cnc(s1)C=O 62a_100000210202_100000699580 [0,1,0,0,1,0|2,0,0]=4 3552 B10R1.96 CCSc1cnc(s1)C=O 62a_100000699580_100000210202 [0,1,0,0,1,0|2,0,0]=4 3553 B10R1.96 CCSc1coc(c1)C=O 62a_100000210202_100000747035 [0,1,0,0,1,0|1,0,0]=3 3554 B10R1.96 CCSc1coc(c1)C=O 62a_100000747035_100000210202 [0,1,0,0,1,0|1,0,0]=3 3555 B10R1.96 CCSc1csc(c1)C=O 62a_100000210202_100000211722 [0,1,0,0,1,0|1,0,0]=3 3556 B10R1.96 CCSc1csc(c1)C=O 62a_100000211722_100000210202 [0,1,0,0,1,0|1,0,0]=3 3557 B10R1.96 CCSc1csc(n1)C=O 62a_100000210202_100009816814 [0,1,0,0,1,0|2,0,0]=4 3558 B10R1.96 CCSc1csc(n1)C=O 62a_100009816814_100000210202 [0,1,0,0,1,0|2,0,0]=4 3559 B10R1.96 CCSc1nc(cs1)C=O 62a_100000210202_100009816748 [0,1,0,0,1,0|2,0,0]=4 3560 B10R1.96 CCSc1nc(cs1)C=O 62a_100009816748_100000210202 [0,1,0,0,1,0|2,0,0]=4 3561 B10R1.96 CCSc1ncc(s1)C=O 62a_100000210202_100009814069 [0,1,0,0,1,0|2,0,0]=4 3562 B10R1.96 CCSc1ncc(s1)C=O 62a_100009814069_100000210202 [0,1,0,0,1,0|2,0,0]=4 3563 B10R1.96 CNCc1ccc(o1)C=O 2230a_106832991635_200000079136 [0,1,0,0,1,0|1,0,0]=3 3564 B10R1.96 CNCc1ccc(o1)C=O 34a_100102657272_200000079136 [0,1,0,0,1,0|1,0,0]=3 3565 B10R1.96 CNCc1ccc(o1)C=O 7a_106832991635_200000079136 [0,1,0,0,1,0|1,0,0]=3 3566 B10R1.96 CNCc1csc(c1)C=O 2230a_106832991635_100000070824 [0,1,0,0,1,0|1,0,0]=3 3567 B10R1.96 CNCc1csc(c1)C=O 34a_100102657272_100000070824 [0,1,0,0,1,0|1,0,0]=3 3568 B10R1.96 CNCc1csc(c1)C=O 7a_106832991635_100000070824 [0,1,0,0,1,0|1,0,0]=3 3569 B10R1.96 COCc1ccc(o1)C=O 34a_100138415774_200000079136 [0,1,0,0,1,0|1,0,0]=3 3570 B10R1.96 COCc1csc(c1)C=O 34a_100138415774_100000070824 [0,1,0,0,1,0|1,0,0]=3 3571 B10R1.96 CSCc1ccc(o1)C=O 62a_200000210301_200000079136 [0,1,0,0,1,0|1,0,0]=3 3572 B10R1.96 CSCc1csc(c1)C=O 62a_100000070824_200000210301 [0,1,0,0,1,0|1,0,0]=3 3573 B10R1.96 CSCc1csc(c1)C=O 62a_200000210301_100000070824 [0,1,0,0,1,0|1,0,0]=3 3574 B10R1.96 O=Cc1c[nH]c(c1)SCF 62a_100009882863_100015361967 [0,1,0,0,1,0|2,0,0]=4 3575 B10R1.96 O=Cc1c[nH]c(c1)SCF 62a_100015361967_100009882863 [0,1,0,0,1,0|2,0,0]=4 3576 B10R1.96 O=Cc1cc(c[nH]1)SCF 62a_100000720742_100015361967 [0,1,0,0,1,0|2,0,0]=4 3577 B10R1.96 O=Cc1cc(c[nH]1)SCF 62a_100015361967_100000720742 [0,1,0,0,1,0|2,0,0]=4 3578 B10R1.96 O=Cc1cc(co1)SCF 62a_100000747035_100015361967 [0,1,0,0,1,0|2,0,0]=4 3579 B10R1.96 O=Cc1cc(co1)SCF 62a_100015361967_100000747035 [0,1,0,0,1,0|2,0,0]=4 3580 B10R1.96 O=Cc1cc(cs1)SCF 62a_100000211722_100015361967 [0,1,0,0,1,0|2,0,0]=4 3581 B10R1.96 O=Cc1cc(cs1)SCF 62a_100015361967_100000211722 [0,1,0,0,1,0|2,0,0]=4 3582 B10R1.96 O=Cc1ccc([nH]1)SCF 62a_100015361967_100009875417 [0,1,0,0,1,0|2,0,0]=4 3583 B10R1.96 O=Cc1ccc(o1)SCF 62a_100015361967_100000186757 [0,1,0,0,1,0|2,0,0]=4 3584 B10R1.96 O=Cc1ccc(s1)SCF 62a_100000179771_100015361967 [0,1,0,0,1,0|2,0,0]=4 3585 B10R1.96 O=Cc1ccc(s1)SCF 62a_100015361967_100000179771 [0,1,0,0,1,0|2,0,0]=4 3586 B10R1.96 O=Cc1csc(c1)SCF 62a_100000737087_100015361967 [0,1,0,0,1,0|2,0,0]=4 3587 B10R1.96 O=Cc1csc(c1)SCF 62a_100015361967_100000737087 [0,1,0,0,1,0|2,0,0]=4 3588 B10R1.96 [13CH3]SCc1ccc(o1)C=O 62a_200025704644_200000079136 [0,1,0,0,1,0|1,0,0]=3 3589 B10R1.96 [13CH3]SCc1csc(c1)C=O 62a_100000070824_200025704644 [0,1,0,0,1,0|1,0,0]=3 3590 B10R1.96 [13CH3]SCc1csc(c1)C=O 62a_200025704644_100000070824 [0,1,0,0,1,0|1,0,0]=3 3591 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [0,2,0,0,0,0|0,0,2]=4 3592 B12R1.5 C#Cc1ccc(cc1)C(=O)CF 1458a_100011217615_100015361967 [0,2,0,0,0,0|0,0,2]=4 3593 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100011217615 [0,2,0,0,0,0|0,0,2]=4 3594 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100011217615 [0,2,0,0,0,0|0,0,2]=4 3595 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100011217615 [0,2,0,0,0,0|0,0,2]=4 3596 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100011217615 [0,2,0,0,0,0|0,0,2]=4 3597 B12R1.5 C=Cc1ccc(cc1)C(=O)C#N 271570a_100011290941_100009994572 [0,2,0,0,0,0|0,0,2]=4 3598 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,2,0,0,0,0|0,0,2]=4 3599 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [0,2,0,0,0,0|1,0,0]=3 3600 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [0,2,0,0,0,0|1,0,0]=3 3601 B12R1.5 C=Cc1ccc(cc1)C(=O)CF 1458a_100000687532_100015361967 [0,2,0,0,0,0|0,0,2]=4 3602 B12R1.5 C=Cc1ccc(cc1)C(=O)CN 271570a_100011290941_100000017248 [0,2,0,0,0,0|0,0,2]=4 3603 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [0,2,0,0,0,0|0,0,2]=4 3604 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 11a_106832991635_100000687532 [0,2,0,0,0,0|0,0,2]=4 3605 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100000687532 [0,2,0,0,0,0|0,0,2]=4 3606 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100000687532 [0,2,0,0,0,0|0,0,2]=4 3607 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 271570a_100011290941_100000155074 [0,2,0,0,0,0|0,0,2]=4 3608 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 527a_100102657272_100000687532 [0,2,0,0,0,0|0,0,2]=4 3609 B12R1.5 C=Cc1ccc(cc1)C(=O)NN 271570a_100011290941_100000183614 [0,2,0,0,0,0|0,0,2]=4 3610 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [0,2,0,0,0,0|0,0,2]=4 3611 B12R1.5 C=Cc1ccc(cc1)C(C)C#N 271570a_100011290941_100000695319 [0,2,0,0,0,0|1,0,0]=3 3612 B12R1.5 C=Cc1ccc(cc1)C(C)CC 271570a_100011290941_100011221364 [0,2,0,0,0,0|1,0,0]=3 3613 B12R1.5 C=Cc1ccc(cc1)C(C)NC 2230a_200012023546_200000210301 [0,2,0,0,0,0|1,0,0]=3 3614 B12R1.5 C=Cc1ccc(cc1)C(C)NC 271570a_100011290941_100000231103 [0,2,0,0,0,0|1,0,0]=3 3615 B12R1.5 C=Cc1ccc(cc1)C(C)NC 34a_200012023546_200000210301 [0,2,0,0,0,0|1,0,0]=3 3616 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 2230a_200012023546_200025704644 [0,2,0,0,0,0|1,0,0]=3 3617 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 34a_200012023546_200025704644 [0,2,0,0,0,0|1,0,0]=3 3618 B12R1.5 C=Cc1ccc(cc1)C(C)OC 271570a_100011290941_100010254937 [0,2,0,0,0,0|1,0,0]=3 3619 B12R1.5 C=Cc1ccc(cc1)C(N)C#N 271570a_100011290941_106722365845 [0,2,0,0,0,0|1,0,1]=4 3620 B12R1.5 C=Cc1ccc(cc1)C(N)CO 271570a_100011290941_100000734186 [0,2,0,0,0,0|1,0,0]=3 3621 B12R1.5 C=Cc1ccc(cc1)C(O)CC 271570a_100011290941_100000246506 [0,2,0,0,0,0|1,0,0]=3 3622 B12R1.5 C=Cc1ccc(cc1)C(O)CN 271570a_100011290941_100020626992 [0,2,0,0,0,0|1,0,0]=3 3623 B12R1.5 C=Cc1ccc(cc1)C(O)CO 271570a_100011290941_200012355997 [0,2,0,0,0,0|1,0,0]=3 3624 B12R1.5 C=Cc1ccc(cc1)[C@@H](N)CC 271570a_100011290941_100025736560 [0,2,0,0,0,0|1,0,0]=3 3625 B12R1.5 C=Cc1ccc(nc1)C(=O)CC 271570a_100011290941_100012351654 [0,2,0,0,0,0|2,0,0]=4 3626 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [0,2,0,0,0,0|1,0,1]=4 3627 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 34a_100000069498_200025704644 [0,2,0,0,0,0|2,0,0]=4 3628 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 7a_100000069498_200025704644 [0,2,0,0,0,0|2,0,0]=4 3629 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_100000695319_200025704644 [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000695319 [0,2,0,0,0,0|2,0,0]=4 3631 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.5 CC(O[13CH3])c1ccc(cc1)CN 34a_200000048501_200025704644 [0,2,0,0,0,0|1,0,1]=4 3633 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [0,2,0,0,0,0|1,0,1]=4 3634 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,2,0,0,0,0|0,0,0]=2 3635 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,2,0,0,0,0|1,0,0]=3 3636 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,2,0,0,0,0|1,0,0]=3 3637 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,2,0,0,0,0|1,0,0]=3 3638 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,2,0,0,0,0|1,0,0]=3 3639 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,2,0,0,0,0|1,0,0]=3 3640 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,2,0,0,0,0|1,0,0]=3 3641 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [0,2,0,0,0,0|1,0,0]=3 3642 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [0,2,0,0,0,0|1,0,0]=3 3643 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [0,2,0,0,0,0|1,0,0]=3 3644 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [0,2,0,0,0,0|1,0,0]=3 3645 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [0,2,0,0,0,0|1,0,0]=3 3646 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_100012351654_200000210301 [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_200000210301_100012351654 [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_100012351654_200025704644 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012351654 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.5 CCC(C)c1ccc(cc1)NC 2230a_100000211316_200000210301 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.5 CCC(C)c1ccc(cc1)NC 34a_100000211316_200000210301 [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.5 CCC(C)c1ccc(cc1)NC 7a_100000211316_200000210301 [0,2,0,0,0,0|2,0,0]=4 3653 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 2230a_100000211316_200025704644 [0,2,0,0,0,0|2,0,0]=4 3654 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 34a_100000211316_200025704644 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 7a_100000211316_200025704644 [0,2,0,0,0,0|2,0,0]=4 3656 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [0,2,0,0,0,0|2,0,0]=4 3657 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [0,2,0,0,0,0|2,0,0]=4 3658 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [0,2,0,0,0,0|2,0,0]=4 3659 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [0,2,0,0,0,0|2,0,0]=4 3660 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_100011221364_200000210301 [0,2,0,0,0,0|2,0,0]=4 3661 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_200000210301_100011221364 [0,2,0,0,0,0|2,0,0]=4 3662 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_100011221364_200025704644 [0,2,0,0,0,0|2,0,0]=4 3663 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011221364 [0,2,0,0,0,0|2,0,0]=4 3664 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [0,2,0,0,0,0|2,0,0]=4 3665 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [0,2,0,0,0,0|2,0,0]=4 3668 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [0,2,0,0,0,0|2,0,0]=4 3669 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.5 CCN(C)c1ccc(cc1)C#N 269982a_100000218877_200000210301 [0,2,0,0,0,0|1,0,1]=4 3671 B12R1.5 CCN(C)c1ccc(cc1)C#N 269982a_100000739737_100000204670 [0,2,0,0,0,0|1,0,1]=4 3672 B12R1.5 CCN(C)c1ccc(cc1)C#N 34a_100000218877_200000210301 [0,2,0,0,0,0|1,0,1]=4 3673 B12R1.5 CCN(C)c1ccc(cc1)C#N 34a_100000739737_100000210202 [0,2,0,0,0,0|1,0,1]=4 3674 B12R1.5 CCN(C)c1ccc(cc1)C#N 7a_100000218877_200000210301 [0,2,0,0,0,0|1,0,1]=4 3675 B12R1.5 CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210202 [0,2,0,0,0,0|2,0,0]=4 3676 B12R1.5 CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000204670 [0,2,0,0,0,0|2,0,0]=4 3677 B12R1.5 CCN(C)c1ccc(cc1)OC 34a_100000220023_100000210202 [0,2,0,0,0,0|2,0,0]=4 3678 B12R1.5 CCN([13CH3])c1ccc(cc1)C#N 269982a_100000218877_200025704644 [0,2,0,0,0,0|1,0,1]=4 3679 B12R1.5 CCN([13CH3])c1ccc(cc1)C#N 34a_100000218877_200025704644 [0,2,0,0,0,0|1,0,1]=4 3680 B12R1.5 CCN([13CH3])c1ccc(cc1)C#N 7a_100000218877_200025704644 [0,2,0,0,0,0|1,0,1]=4 3681 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_100025736560_200000210301 [0,2,0,0,0,0|2,0,0]=4 3682 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_200000210301_100025736560 [0,2,0,0,0,0|2,0,0]=4 3683 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_100025736560_200025704644 [0,2,0,0,0,0|2,0,0]=4 3684 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100025736560 [0,2,0,0,0,0|2,0,0]=4 3685 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [0,2,0,0,0,0|0,0,0]=2 3686 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,2,0,0,0,0|0,0,0]=2 3687 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,2,0,0,0,0|0,0,0]=2 3688 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,2,0,0,0,0|0,0,0]=2 3689 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,2,0,0,0,0|0,0,0]=2 3690 B12R1.5 CCc1ccc(cc1)C(C)NC 2230a_100015186439_200000210301 [0,2,0,0,0,0|1,0,1]=4 3691 B12R1.5 CCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211630 [0,2,0,0,0,0|1,0,1]=4 3692 B12R1.5 CCc1ccc(cc1)C(C)NC 34a_100015186439_200000210301 [0,2,0,0,0,0|1,0,1]=4 3693 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 2230a_100015186439_200025704644 [0,2,0,0,0,0|1,0,1]=4 3694 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 34a_100015186439_200025704644 [0,2,0,0,0,0|1,0,1]=4 3695 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [0,2,0,0,0,0|0,0,2]=4 3696 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [0,2,0,0,0,0|0,0,2]=4 3697 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [0,2,0,0,0,0|0,0,2]=4 3698 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [0,2,0,0,0,0|0,0,2]=4 3699 B12R1.5 CNC(=O)c1ccc(cc1)C#N 11a_106832991635_100000210717 [0,2,0,0,0,0|1,0,1]=4 3700 B12R1.5 CNC(=O)c1ccc(cc1)C#N 1626a_100102657272_100000210717 [0,2,0,0,0,0|1,0,1]=4 3701 B12R1.5 CNC(=O)c1ccc(cc1)C#N 240690a_100102657272_100000210717 [0,2,0,0,0,0|1,0,1]=4 3702 B12R1.5 CNC(=O)c1ccc(cc1)C#N 527a_100102657272_100000210717 [0,2,0,0,0,0|1,0,1]=4 3703 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,2,0,0,0,0|1,0,0]=3 3704 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,2,0,0,0,0|1,0,0]=3 3705 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [0,2,0,0,0,0|1,0,0]=3 3706 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [0,2,0,0,0,0|1,0,0]=3 3707 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [0,2,0,0,0,0|1,0,0]=3 3708 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [0,2,0,0,0,0|1,0,0]=3 3709 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [0,2,0,0,0,0|1,0,0]=3 3710 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,2,0,0,0,0|1,0,0]=3 3711 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,2,0,0,0,0|1,0,0]=3 3712 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,2,0,0,0,0|1,0,0]=3 3713 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,2,0,0,0,0|1,0,0]=3 3714 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,2,0,0,0,0|1,0,0]=3 3715 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,2,0,0,0,0|1,0,0]=3 3716 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,2,0,0,0,0|1,0,0]=3 3717 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,2,0,0,0,0|1,0,0]=3 3718 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [0,2,0,0,0,0|1,0,0]=3 3719 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [0,2,0,0,0,0|1,0,0]=3 3720 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [0,2,0,0,0,0|1,0,0]=3 3721 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [0,2,0,0,0,0|1,0,0]=3 3722 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [0,2,0,0,0,0|1,0,0]=3 3723 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [0,2,0,0,0,0|1,0,0]=3 3724 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [0,2,0,0,0,0|1,0,0]=3 3725 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [0,2,0,0,0,0|1,0,0]=3 3726 B12R1.5 CNC(=O)c1ccc(cn1)NC 27a_100102657272_100011781262 [0,2,0,0,0,0|2,0,0]=4 3727 B12R1.5 CNC(=O)c1ccc(cn1)OC 34a_100009861314_200000210301 [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.5 CNC(=O)c1ccc(cn1)OC 7a_100009861314_200000210301 [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 34a_100009861314_200025704644 [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 7a_100009861314_200025704644 [0,2,0,0,0,0|2,0,0]=4 3731 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_100011781262_200000210301 [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_200000210301_100011781262 [0,2,0,0,0,0|2,0,0]=4 3733 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_100011781262_200025704644 [0,2,0,0,0,0|2,0,0]=4 3734 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781262 [0,2,0,0,0,0|2,0,0]=4 3735 B12R1.5 CNC(=O)c1ccc(nc1)NC 27a_100102657272_100000159860 [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_100000159860_200000210301 [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_200000210301_100000159860 [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_100000159860_200025704644 [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000159860 [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.5 CNC(C)c1ccc(cc1)C#N 269862a_106832991636_100000182420 [0,2,0,0,0,0|1,0,1]=4 3741 B12R1.5 CNC(C)c1ccc(cc1)CO 269862a_106832991636_100000082505 [0,2,0,0,0,0|0,0,2]=4 3742 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.5 CNC(C)c1ccc(cc1)SC 2230a_100000738722_200000210301 [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.5 CNC(C)c1ccc(cc1)SC 269862a_106832991636_100000185071 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_100000231103_200000210301 [0,2,0,0,0,0|2,0,0]=4 3746 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_200000210301_100000231103 [0,2,0,0,0,0|2,0,0]=4 3747 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_100000231103_200025704644 [0,2,0,0,0,0|2,0,0]=4 3748 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231103 [0,2,0,0,0,0|2,0,0]=4 3749 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 2230a_100016991473_200000210301 [0,2,0,0,0,0|1,0,1]=4 3750 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 34a_100016991473_200000210301 [0,2,0,0,0,0|1,0,1]=4 3751 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,2,0,0,0,0|2,0,0]=4 3752 B12R1.5 CNc1ccc(cc1)C(=O)NN 27a_100102657272_100000183614 [0,2,0,0,0,0|1,0,0]=3 3753 B12R1.5 CNc1ccc(cc1)C(C)C#N 34a_100000069498_200000210301 [0,2,0,0,0,0|2,0,0]=4 3754 B12R1.5 CNc1ccc(cc1)C(C)C#N 7a_100000069498_200000210301 [0,2,0,0,0,0|2,0,0]=4 3755 B12R1.5 CNc1ccc(cc1)C(C)NC 269862a_106832991636_100011806243 [0,2,0,0,0,0|2,0,0]=4 3756 B12R1.5 CNc1ccc(cn1)C(=O)NN 27a_100102657272_100000189807 [0,2,0,0,0,0|2,0,0]=4 3757 B12R1.5 CNc1ccc(cn1)C(=O)OC 27a_100102657272_100000733799 [0,2,0,0,0,0|2,0,0]=4 3758 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,2,0,0,0,0|1,0,0]=3 3759 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,2,0,0,0,0|1,0,0]=3 3760 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,2,0,0,0,0|1,0,0]=3 3761 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,2,0,0,0,0|1,0,0]=3 3762 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,2,0,0,0,0|1,0,0]=3 3763 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,2,0,0,0,0|1,0,0]=3 3764 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,2,0,0,0,0|1,0,0]=3 3765 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,2,0,0,0,0|1,0,0]=3 3766 B12R1.5 COC(=O)c1ccc(cn1)OC 34a_100011997255_200000210301 [0,2,0,0,0,0|2,0,0]=4 3767 B12R1.5 COC(=O)c1ccc(cn1)OC 7a_100011997255_200000210301 [0,2,0,0,0,0|2,0,0]=4 3768 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 34a_100011997255_200025704644 [0,2,0,0,0,0|2,0,0]=4 3769 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 7a_100011997255_200025704644 [0,2,0,0,0,0|2,0,0]=4 3770 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_100102712061_200000210301 [0,2,0,0,0,0|2,0,0]=4 3771 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_200000210301_100102712061 [0,2,0,0,0,0|2,0,0]=4 3772 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_100102712061_200025704644 [0,2,0,0,0,0|2,0,0]=4 3773 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100102712061 [0,2,0,0,0,0|2,0,0]=4 3774 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_100000733799_200000210301 [0,2,0,0,0,0|2,0,0]=4 3775 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_200000210301_100000733799 [0,2,0,0,0,0|2,0,0]=4 3776 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_100000733799_200025704644 [0,2,0,0,0,0|2,0,0]=4 3777 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000733799 [0,2,0,0,0,0|2,0,0]=4 3778 B12R1.5 COC(C)c1ccc(cc1)CN 34a_200000048501_200000210301 [0,2,0,0,0,0|1,0,1]=4 3779 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,2,0,0,0,0|2,0,0]=4 3780 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,2,0,0,0,0|2,0,0]=4 3781 B12R1.5 COC(C)c1ccc(cc1)SC 62a_100010254937_200000210301 [0,2,0,0,0,0|2,0,0]=4 3782 B12R1.5 COC(C)c1ccc(cc1)SC 62a_200000210301_100010254937 [0,2,0,0,0,0|2,0,0]=4 3783 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_100010254937_200025704644 [0,2,0,0,0,0|2,0,0]=4 3784 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100010254937 [0,2,0,0,0,0|2,0,0]=4 3785 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_200000210301 [0,2,0,0,0,0|1,0,1]=4 3786 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_200000210301 [0,2,0,0,0,0|1,0,1]=4 3787 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [0,2,0,0,0,0|1,0,1]=4 3788 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [0,2,0,0,0,0|1,0,1]=4 3789 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,2,0,0,0,0|1,0,0]=3 3790 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,2,0,0,0,0|1,0,0]=3 3791 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,2,0,0,0,0|1,0,0]=3 3792 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,2,0,0,0,0|1,0,0]=3 3793 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,2,0,0,0,0|1,0,0]=3 3794 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,2,0,0,0,0|1,0,0]=3 3795 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [0,2,0,0,0,0|2,0,0]=4 3796 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,2,0,0,0,0|2,0,0]=4 3797 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,2,0,0,0,0|2,0,0]=4 3799 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,2,0,0,0,0|2,0,0]=4 3801 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,2,0,0,0,0|2,0,0]=4 3802 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,2,0,0,0,0|2,0,0]=4 3804 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [0,2,0,0,0,0|1,0,0]=3 3805 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,2,0,0,0,0|1,0,0]=3 3806 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,2,0,0,0,0|1,0,0]=3 3807 B12R1.5 CSc1ccc(cc1)C(=O)CF 1458a_100000189692_100015361967 [0,2,0,0,0,0|1,0,0]=3 3808 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_100000017248_200000210301 [0,2,0,0,0,0|1,0,0]=3 3809 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_200000210301_100000017248 [0,2,0,0,0,0|1,0,0]=3 3810 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [0,2,0,0,0,0|1,0,0]=3 3811 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [0,2,0,0,0,0|1,0,0]=3 3812 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_100000183614_200000210301 [0,2,0,0,0,0|1,0,0]=3 3813 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_200000210301_100000183614 [0,2,0,0,0,0|1,0,0]=3 3814 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_100000695319_200000210301 [0,2,0,0,0,0|2,0,0]=4 3815 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_200000210301_100000695319 [0,2,0,0,0,0|2,0,0]=4 3816 B12R1.5 CSc1ccc(cc1)C(C)N[13CH3] 2230a_100000738722_200025704644 [0,2,0,0,0,0|2,0,0]=4 3817 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_100000734186_200000210301 [0,2,0,0,0,0|2,0,0]=4 3818 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_200000210301_100000734186 [0,2,0,0,0,0|2,0,0]=4 3819 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_100020626992_200000210301 [0,2,0,0,0,0|2,0,0]=4 3820 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_200000210301_100020626992 [0,2,0,0,0,0|2,0,0]=4 3821 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200000210301_200012355997 [0,2,0,0,0,0|2,0,0]=4 3822 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200012355997_200000210301 [0,2,0,0,0,0|2,0,0]=4 3823 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_100000189807_200000210301 [0,2,0,0,0,0|2,0,0]=4 3824 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_200000210301_100000189807 [0,2,0,0,0,0|2,0,0]=4 3825 B12R1.5 CSc1ccc(nc1)C(=O)NN 62a_100011781063_200000210301 [0,2,0,0,0,0|2,0,0]=4 3826 B12R1.5 CSc1ccc(nc1)C(=O)NN 62a_200000210301_100011781063 [0,2,0,0,0,0|2,0,0]=4 3827 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 2230a_100016991473_200025704644 [0,2,0,0,0,0|1,0,1]=4 3828 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 34a_100016991473_200025704644 [0,2,0,0,0,0|1,0,1]=4 3829 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 34a_100011852132_200025704644 [0,2,0,0,0,0|1,0,1]=4 3830 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 7a_100011852132_200025704644 [0,2,0,0,0,0|1,0,1]=4 3831 B12R1.5 N#Cc1ccc(cc1)C(=O)CF 1458a_100000210717_100015361967 [0,2,0,0,0,0|1,0,1]=4 3832 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [0,2,0,0,0,0|1,0,0]=3 3833 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [0,2,0,0,0,0|1,0,1]=4 3834 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,2,0,0,0,0|1,0,0]=3 3835 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,2,0,0,0,0|1,0,0]=3 3836 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,2,0,0,0,0|1,0,0]=3 3837 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,2,0,0,0,0|1,0,0]=3 3838 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,2,0,0,0,0|1,0,0]=3 3839 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,2,0,0,0,0|2,0,0]=4 3840 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [0,2,0,0,0,0|1,0,0]=3 3841 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,2,0,0,0,0|1,0,0]=3 3842 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,2,0,0,0,0|1,0,0]=3 3843 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_100000017248_200025704644 [0,2,0,0,0,0|1,0,0]=3 3844 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_200025704644_100000017248 [0,2,0,0,0,0|1,0,0]=3 3845 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [0,2,0,0,0,0|1,0,0]=3 3846 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [0,2,0,0,0,0|1,0,0]=3 3847 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_100000183614_200025704644 [0,2,0,0,0,0|1,0,0]=3 3848 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_200025704644_100000183614 [0,2,0,0,0,0|1,0,0]=3 3849 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_100000734186_200025704644 [0,2,0,0,0,0|2,0,0]=4 3850 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_200025704644_100000734186 [0,2,0,0,0,0|2,0,0]=4 3851 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_100020626992_200025704644 [0,2,0,0,0,0|2,0,0]=4 3852 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_200025704644_100020626992 [0,2,0,0,0,0|2,0,0]=4 3853 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200012355997_200025704644 [0,2,0,0,0,0|2,0,0]=4 3854 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200025704644_200012355997 [0,2,0,0,0,0|2,0,0]=4 3855 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_100000189807_200025704644 [0,2,0,0,0,0|2,0,0]=4 3856 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_200025704644_100000189807 [0,2,0,0,0,0|2,0,0]=4 3857 B12R1.5 [13CH3]Sc1ccc(nc1)C(=O)NN 62a_100011781063_200025704644 [0,2,0,0,0,0|2,0,0]=4 3858 B12R1.5 [13CH3]Sc1ccc(nc1)C(=O)NN 62a_200025704644_100011781063 [0,2,0,0,0,0|2,0,0]=4 3859 B12R1.6 C=Cc1ccc(cc1)C(C)(C)C 271570a_100011290941_100011215385 [0,2,0,0,0,0|1,0,0]=3 3860 B12R1.6 C=Cc1ccc(cc1)C(C)(C)N 271570a_100011290941_100000739617 [0,2,0,0,0,0|1,0,0]=3 3861 B12R1.6 C=Cc1ccc(cc1)C(C)(C)O 271570a_100011290941_100000753367 [0,2,0,0,0,0|1,0,0]=3 3862 B12R1.6 C=Cc1ccc(cc1)C(C)(F)F 271570a_100011290941_100009817129 [0,2,0,0,0,0|1,0,0]=3 3863 B12R1.6 C=Cc1ccc(cc1)C(F)(F)F 271570a_100011290941_100000727837 [0,2,0,0,0,0|2,0,0]=4 3864 B12R1.6 C=Cc1ccc(cc1)S(=O)(=O)C 271570a_100011290941_100000765142 [0,2,0,0,0,0|2,0,0]=4 3865 B12R1.6 C=Cc1ccc(cc1)[Si](C)(C)C 271570a_100011290941_100009813420 [0,2,0,0,0,0|1,1,0]=4 3866 B12R1.6 C=Cc1ccc(cn1)C(C)(C)C 271570a_100011290941_100000686854 [0,2,0,0,0,0|2,0,0]=4 3867 B12R1.6 C=Cc1ccc(cn1)C(C)(C)O 271570a_100011290941_100010080785 [0,2,0,0,0,0|2,0,0]=4 3868 B12R1.6 C=Cc1ccc(cn1)C(C)(F)F 271570a_100011290941_100010208559 [0,2,0,0,0,0|2,0,0]=4 3869 B12R1.6 C=Cc1ccc(nc1)C(C)(C)C 271570a_100011290941_100010245212 [0,2,0,0,0,0|2,0,0]=4 3870 B12R1.6 C=Cc1ccc(nc1)C(C)(C)O 271570a_100011290941_100010246419 [0,2,0,0,0,0|2,0,0]=4 3871 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 2230a_100000210346_200025704644 [0,2,0,0,0,0|2,0,0]=4 3872 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 34a_100000210346_200025704644 [0,2,0,0,0,0|2,0,0]=4 3873 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 7a_100000210346_200025704644 [0,2,0,0,0,0|2,0,0]=4 3874 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 34a_100000185729_200025704644 [0,2,0,0,0,0|2,0,0]=4 3875 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000185729_200025704644 [0,2,0,0,0,0|2,0,0]=4 3876 B12R1.6 CC(C)(C)c1ccc(cc1)S[13CH3] 62a_100011215385_200025704644 [0,2,0,0,0,0|2,0,0]=4 3877 B12R1.6 CC(C)(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011215385 [0,2,0,0,0,0|2,0,0]=4 3878 B12R1.6 CC(C)(N)c1ccc(cc1)S[13CH3] 62a_100000739617_200025704644 [0,2,0,0,0,0|2,0,0]=4 3879 B12R1.6 CC(C)(N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000739617 [0,2,0,0,0,0|2,0,0]=4 3880 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 34a_100000695648_200025704644 [0,2,0,0,0,0|2,0,0]=4 3881 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 7a_100000695648_200025704644 [0,2,0,0,0,0|2,0,0]=4 3882 B12R1.6 CC(C)(O)c1ccc(cc1)S[13CH3] 62a_100000753367_200025704644 [0,2,0,0,0,0|2,0,0]=4 3883 B12R1.6 CC(C)(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753367 [0,2,0,0,0,0|2,0,0]=4 3884 B12R1.6 CC(F)(F)c1ccc(cc1)S[13CH3] 62a_100009817129_200025704644 [0,2,0,0,0,0|2,0,0]=4 3885 B12R1.6 CC(F)(F)c1ccc(cc1)S[13CH3] 62a_200025704644_100009817129 [0,2,0,0,0,0|2,0,0]=4 3886 B12R1.6 CNc1ccc(cc1)C(C)(C)C 2230a_100000210346_200000210301 [0,2,0,0,0,0|2,0,0]=4 3887 B12R1.6 CNc1ccc(cc1)C(C)(C)C 34a_100000210346_200000210301 [0,2,0,0,0,0|2,0,0]=4 3888 B12R1.6 CNc1ccc(cc1)C(C)(C)C 7a_100000210346_200000210301 [0,2,0,0,0,0|2,0,0]=4 3889 B12R1.6 CNc1ccc(cc1)S(=O)(=O)C 34a_100000195502_200000210301 [0,2,0,0,0,0|2,0,0]=4 3890 B12R1.6 CNc1ccc(cc1)S(=O)(=O)C 7a_100000195502_200000210301 [0,2,0,0,0,0|2,0,0]=4 3891 B12R1.6 CNc1ccc(cc1)S(=O)(=O)N 34a_100000182716_200000210301 [0,2,0,0,0,0|2,0,0]=4 3892 B12R1.6 COc1ccc(cc1)C(C)(C)C 34a_100000185729_200000210301 [0,2,0,0,0,0|2,0,0]=4 3893 B12R1.6 COc1ccc(cc1)C(C)(C)C 7a_100000185729_200000210301 [0,2,0,0,0,0|2,0,0]=4 3894 B12R1.6 COc1ccc(cc1)C(C)(C)O 34a_100000695648_200000210301 [0,2,0,0,0,0|2,0,0]=4 3895 B12R1.6 COc1ccc(cc1)C(C)(C)O 7a_100000695648_200000210301 [0,2,0,0,0,0|2,0,0]=4 3896 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 34a_100000230201_200000210301 [0,2,0,0,0,0|2,0,0]=4 3897 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 7a_100000230201_200000210301 [0,2,0,0,0,0|2,0,0]=4 3898 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200000210301 [0,2,0,0,0,0|2,0,0]=4 3899 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200000210301 [0,2,0,0,0,0|2,0,0]=4 3900 B12R1.6 COc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200000210301 [0,2,0,0,0,0|2,0,0]=4 3901 B12R1.6 CS(=O)(=O)c1ccc(cc1)N[13CH3] 34a_100000195502_200025704644 [0,2,0,0,0,0|2,0,0]=4 3902 B12R1.6 CS(=O)(=O)c1ccc(cc1)N[13CH3] 7a_100000195502_200025704644 [0,2,0,0,0,0|2,0,0]=4 3903 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 34a_100000230201_200025704644 [0,2,0,0,0,0|2,0,0]=4 3904 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 7a_100000230201_200025704644 [0,2,0,0,0,0|2,0,0]=4 3905 B12R1.6 CS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_100000765142_200025704644 [0,2,0,0,0,0|2,0,0]=4 3906 B12R1.6 CS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000765142 [0,2,0,0,0,0|2,0,0]=4 3907 B12R1.6 CSc1ccc(cc1)C(C)(C)C 62a_100011215385_200000210301 [0,2,0,0,0,0|2,0,0]=4 3908 B12R1.6 CSc1ccc(cc1)C(C)(C)C 62a_200000210301_100011215385 [0,2,0,0,0,0|2,0,0]=4 3909 B12R1.6 CSc1ccc(cc1)C(C)(C)N 62a_100000739617_200000210301 [0,2,0,0,0,0|2,0,0]=4 3910 B12R1.6 CSc1ccc(cc1)C(C)(C)N 62a_200000210301_100000739617 [0,2,0,0,0,0|2,0,0]=4 3911 B12R1.6 CSc1ccc(cc1)C(C)(C)O 62a_100000753367_200000210301 [0,2,0,0,0,0|2,0,0]=4 3912 B12R1.6 CSc1ccc(cc1)C(C)(C)O 62a_200000210301_100000753367 [0,2,0,0,0,0|2,0,0]=4 3913 B12R1.6 CSc1ccc(cc1)C(C)(F)F 62a_100009817129_200000210301 [0,2,0,0,0,0|2,0,0]=4 3914 B12R1.6 CSc1ccc(cc1)C(C)(F)F 62a_200000210301_100009817129 [0,2,0,0,0,0|2,0,0]=4 3915 B12R1.6 CSc1ccc(cc1)S(=O)(=O)C 62a_100000765142_200000210301 [0,2,0,0,0,0|2,0,0]=4 3916 B12R1.6 CSc1ccc(cc1)S(=O)(=O)C 62a_200000210301_100000765142 [0,2,0,0,0,0|2,0,0]=4 3917 B12R1.6 CSc1ccc(cc1)S(=O)(=O)N 62a_100000701559_200000210301 [0,2,0,0,0,0|2,0,0]=4 3918 B12R1.6 CSc1ccc(cc1)S(=O)(=O)N 62a_200000210301_100000164505 [0,2,0,0,0,0|2,0,0]=4 3919 B12R1.6 [13CH3]Nc1ccc(cc1)S(=O)(=O)N 34a_100000182716_200025704644 [0,2,0,0,0,0|2,0,0]=4 3920 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200025704644 [0,2,0,0,0,0|2,0,0]=4 3921 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200025704644 [0,2,0,0,0,0|2,0,0]=4 3922 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200025704644 [0,2,0,0,0,0|2,0,0]=4 3923 B12R1.6 [13CH3]Sc1ccc(cc1)S(=O)(=O)N 62a_100000701559_200025704644 [0,2,0,0,0,0|2,0,0]=4 3924 B12R1.6 [13CH3]Sc1ccc(cc1)S(=O)(=O)N 62a_200025704644_100000164505 [0,2,0,0,0,0|2,0,0]=4 3925 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [0,2,0,0,0,0|0,0,2]=4 3926 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [0,2,0,0,0,0|0,0,2]=4 3927 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)C 1458a_100014797261_200000210301 [0,2,0,0,0,0|0,0,2]=4 3928 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100014797261_200025704644 [0,2,0,0,0,0|0,0,2]=4 3929 B12R1.48 C=C(C)c1cc(c(cn1)C=O)C 271570a_100000694244_100000085382 [0,2,0,0,0,0|1,0,1]=4 3930 B12R1.48 C=C(C)c1ccc(c(c1)Br)C=O 271570a_100000694244_100010185650 [0,2,0,0,0,0|0,0,1]=3 3931 B12R1.48 C=C(C)c1ccc(c(c1)Br)CO 271570a_100000694244_100010240206 [0,2,0,0,0,0|2,0,0]=4 3932 B12R1.48 C=C(C)c1ccc(c(c1)Br)OC 271570a_100000694244_100011249507 [0,2,0,0,0,0|2,0,0]=4 3933 B12R1.48 C=C(C)c1ccc(c(c1)C)C=O 271570a_100000694244_100000687586 [0,2,0,0,0,0|0,0,1]=3 3934 B12R1.48 C=C(C)c1ccc(c(c1)C)CF 271570a_100000694244_200010711859 [0,2,0,0,0,0|2,0,0]=4 3935 B12R1.48 C=C(C)c1ccc(c(c1)C)CN 271570a_100000694244_100000753881 [0,2,0,0,0,0|2,0,0]=4 3936 B12R1.48 C=C(C)c1ccc(c(c1)C)CO 271570a_100000694244_100000748258 [0,2,0,0,0,0|2,0,0]=4 3937 B12R1.48 C=C(C)c1ccc(c(c1)C)NC 271570a_100000694244_100000221803 [0,2,0,0,0,0|2,0,0]=4 3938 B12R1.48 C=C(C)c1ccc(c(c1)C)OC 271570a_100000694244_100011219705 [0,2,0,0,0,0|2,0,0]=4 3939 B12R1.48 C=C(C)c1ccc(c(c1)Cl)C=O 271570a_100000694244_100000727542 [0,2,0,0,0,0|0,0,1]=3 3940 B12R1.48 C=C(C)c1ccc(c(c1)Cl)OC 271570a_100000694244_100012355395 [0,2,0,0,0,0|2,0,0]=4 3941 B12R1.48 C=C(C)c1ccc(c(c1)Cl)SC 271570a_100000694244_206447510565 [0,2,0,0,0,0|2,0,0]=4 3942 B12R1.48 C=C(C)c1ccc(c(c1)F)C=O 271570a_100000694244_100000211676 [0,2,0,0,0,0|0,0,1]=3 3943 B12R1.48 C=C(C)c1ccc(c(c1)F)CC 271570a_100000694244_200010071577 [0,2,0,0,0,0|1,0,0]=3 3944 B12R1.48 C=C(C)c1ccc(c(c1)F)CN 271570a_100000694244_100000754580 [0,2,0,0,0,0|2,0,0]=4 3945 B12R1.48 C=C(C)c1ccc(c(c1)F)CO 271570a_100000694244_100011191541 [0,2,0,0,0,0|2,0,0]=4 3946 B12R1.48 C=C(C)c1ccc(c(c1)F)NC 271570a_100000694244_100000743884 [0,2,0,0,0,0|2,0,0]=4 3947 B12R1.48 C=C(C)c1ccc(c(c1)F)OC 271570a_100000694244_100000185480 [0,2,0,0,0,0|2,0,0]=4 3948 B12R1.48 C=C(C)c1ccc(c(c1)F)SC 271570a_100000694244_100010161220 [0,2,0,0,0,0|2,0,0]=4 3949 B12R1.48 C=C(C)c1ccc(c(c1)N)C=O 271570a_100000694244_100009814810 [0,2,0,0,0,0|0,0,1]=3 3950 B12R1.48 C=C(C)c1ccc(c(c1)N)CC 271570a_100000694244_100012354963 [0,2,0,0,0,0|1,0,0]=3 3951 B12R1.48 C=C(C)c1ccc(c(c1)N)CO 271570a_100000694244_100000718831 [0,2,0,0,0,0|2,0,0]=4 3952 B12R1.48 C=C(C)c1ccc(c(c1)N)NC 271570a_100000694244_100000741790 [0,2,0,0,0,0|2,0,0]=4 3953 B12R1.48 C=C(C)c1ccc(c(c1)N)OC 271570a_100000694244_100000743470 [0,2,0,0,0,0|2,0,0]=4 3954 B12R1.48 C=C(C)c1ccc(c(c1)O)C=O 271570a_100000694244_100011277552 [0,2,0,0,0,0|0,0,1]=3 3955 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [0,2,0,0,0,0|2,0,0]=4 3956 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,2,0,0,0,0|2,0,0]=4 3957 B12R1.48 C=C(C)c1ccc(c(n1)C)C=O 271570a_100000694244_100000050599 [0,2,0,0,0,0|1,0,1]=4 3958 B12R1.48 C=C(C)c1ccc(c(n1)F)C=O 271570a_100000694244_100010064369 [0,2,0,0,0,0|1,0,1]=4 3959 B12R1.48 C=C(C)c1cnc(c(c1)C)C=O 271570a_100000694244_100010185443 [0,2,0,0,0,0|1,0,1]=4 3960 B12R1.48 C=C(C)c1cnc(c(c1)F)C=O 271570a_100000694244_100010180630 [0,2,0,0,0,0|1,0,1]=4 3961 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [0,2,0,0,0,0|0,0,2]=4 3962 B12R1.48 C=Cc1ccc(cc1Br)C(=O)N 271570a_100011290941_100009814583 [0,2,0,0,0,0|0,0,2]=4 3963 B12R1.48 C=Cc1ccc(cc1Br)C(C)C 271570a_100011290941_200010212211 [0,2,0,0,0,0|1,0,0]=3 3964 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [0,2,0,0,0,0|0,0,2]=4 3965 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [0,2,0,0,0,0|0,0,2]=4 3966 B12R1.48 C=Cc1ccc(cc1C)N(C)C 271570a_100011290941_100011934168 [0,2,0,0,0,0|2,0,0]=4 3967 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [0,2,0,0,0,0|0,0,2]=4 3968 B12R1.48 C=Cc1ccc(cc1F)C(=O)N 271570a_100011290941_100000686215 [0,2,0,0,0,0|0,0,2]=4 3969 B12R1.48 C=Cc1ccc(cc1F)C(F)F 271570a_100011290941_100010189893 [0,2,0,0,0,0|2,0,0]=4 3970 B12R1.48 C=Cc1ccc(cc1F)[C@H](C)N 271570a_100011290941_100134618348 [0,2,0,0,0,0|1,0,0]=3 3971 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [0,2,0,0,0,0|0,0,2]=4 3972 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,2,0,0,0,0|0,0,2]=4 3973 B12R1.48 C=Cc1cnc(cc1C)C(C)C 271570a_100011290941_100021475462 [0,2,0,0,0,0|2,0,0]=4 3974 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_100011011822_200025704644 [0,2,0,0,0,0|2,0,0]=4 3975 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100011011822 [0,2,0,0,0,0|2,0,0]=4 3976 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200000210301 [0,2,0,0,0,0|1,0,1]=4 3977 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,2,0,0,0,0|1,0,0]=3 3978 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,2,0,0,0,0|1,0,0]=3 3979 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [0,2,0,0,0,0|1,0,0]=3 3980 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [0,2,0,0,0,0|1,0,0]=3 3981 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [0,2,0,0,0,0|1,0,1]=4 3982 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,2,0,0,0,0|1,0,0]=3 3983 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,2,0,0,0,0|1,0,0]=3 3984 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [0,2,0,0,0,0|1,0,0]=3 3985 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [0,2,0,0,0,0|1,0,0]=3 3986 B12R1.48 CC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200000210301 [0,2,0,0,0,0|1,0,1]=4 3987 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,2,0,0,0,0|1,0,0]=3 3988 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,2,0,0,0,0|1,0,0]=3 3989 B12R1.48 CC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200000210301 [0,2,0,0,0,0|1,0,1]=4 3990 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,2,0,0,0,0|1,0,0]=3 3991 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,2,0,0,0,0|1,0,0]=3 3992 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,2,0,0,0,0|1,0,0]=3 3993 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [0,2,0,0,0,0|1,0,0]=3 3994 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [0,2,0,0,0,0|1,0,0]=3 3995 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,2,0,0,0,0|1,0,0]=3 3996 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,2,0,0,0,0|1,0,0]=3 3997 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [0,2,0,0,0,0|1,0,0]=3 3998 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_100009864263_200025704644 [0,2,0,0,0,0|2,0,0]=4 3999 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864263 [0,2,0,0,0,0|2,0,0]=4 4000 B12R1.48 CC(C)c1ccc(c(c1)Br)N[13CH3] 2230a_100011218581_200025704644 [0,2,0,0,0,0|2,0,0]=4 4001 B12R1.48 CC(C)c1ccc(c(c1)Br)N[13CH3] 34a_100011218581_200025704644 [0,2,0,0,0,0|2,0,0]=4 4002 B12R1.48 CC(C)c1ccc(c(c1)Br)N[13CH3] 7a_100011218581_200025704644 [0,2,0,0,0,0|2,0,0]=4 4003 B12R1.48 CC(C)c1ccc(c(c1)Br)S[13CH3] 62a_200010212211_200025704644 [0,2,0,0,0,0|2,0,0]=4 4004 B12R1.48 CC(C)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_200010212211 [0,2,0,0,0,0|2,0,0]=4 4005 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 34a_100012182850_200025704644 [0,2,0,0,0,0|2,0,0]=4 4006 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 7a_100012182850_200025704644 [0,2,0,0,0,0|2,0,0]=4 4007 B12R1.48 CC(C)c1ccc(c(c1)I)N[13CH3] 34a_100012355998_200025704644 [0,2,0,0,0,0|2,0,0]=4 4008 B12R1.48 CC(C)c1ccc(c(c1)I)N[13CH3] 7a_100012355998_200025704644 [0,2,0,0,0,0|2,0,0]=4 4009 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 34a_200000187366_200025704644 [0,2,0,0,0,0|2,0,0]=4 4010 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 7a_200000187366_200025704644 [0,2,0,0,0,0|2,0,0]=4 4011 B12R1.48 CC(C)c1ccc(c(c1)O)C=O 271570a_203496583355_100010158967 [0,2,0,0,0,0|0,0,0]=2 4012 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [0,2,0,0,0,0|0,0,0]=2 4013 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [0,2,0,0,0,0|0,0,0]=2 4014 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,2,0,0,0,0|0,0,0]=2 4015 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,2,0,0,0,0|0,0,0]=2 4016 B12R1.48 CN(C)c1ccc(c(n1)F)C=O 27a_100102631434_100010064369 [0,2,0,0,0,0|2,0,0]=4 4017 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [0,2,0,0,0,0|1,0,0]=3 4018 B12R1.48 CNc1ccc(cc1Br)C(C)C 2230a_100011218581_200000210301 [0,2,0,0,0,0|2,0,0]=4 4019 B12R1.48 CNc1ccc(cc1Br)C(C)C 34a_100011218581_200000210301 [0,2,0,0,0,0|2,0,0]=4 4020 B12R1.48 CNc1ccc(cc1Br)C(C)C 7a_100011218581_200000210301 [0,2,0,0,0,0|2,0,0]=4 4021 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [0,2,0,0,0,0|1,0,0]=3 4022 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [0,2,0,0,0,0|1,0,0]=3 4023 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [0,2,0,0,0,0|1,0,0]=3 4024 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_200000210301 [0,2,0,0,0,0|2,0,0]=4 4025 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_200000210301 [0,2,0,0,0,0|2,0,0]=4 4026 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_200000210301 [0,2,0,0,0,0|2,0,0]=4 4027 B12R1.48 CNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_200000210301 [0,2,0,0,0,0|2,0,0]=4 4028 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [0,2,0,0,0,0|1,0,0]=3 4029 B12R1.48 CNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_200000210301 [0,2,0,0,0,0|2,0,0]=4 4030 B12R1.48 CNc1ccc(cc1I)C(C)C 34a_100012355998_200000210301 [0,2,0,0,0,0|2,0,0]=4 4031 B12R1.48 CNc1ccc(cc1I)C(C)C 7a_100012355998_200000210301 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.48 CNc1ncc(cc1C)C(=O)C 27a_100102657272_100009864263 [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,2,0,0,0,0|1,0,0]=3 4034 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,2,0,0,0,0|1,0,0]=3 4035 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,2,0,0,0,0|1,0,0]=3 4036 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,2,0,0,0,0|1,0,0]=3 4037 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200000210301 [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200000210301 [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,2,0,0,0,0|1,0,0]=3 4040 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,2,0,0,0,0|1,0,0]=3 4041 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,2,0,0,0,0|1,0,0]=3 4042 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,2,0,0,0,0|1,0,0]=3 4043 B12R1.48 COc1ccc(cc1C)C(C)C 34a_200012180908_200000210301 [0,2,0,0,0,0|2,0,0]=4 4044 B12R1.48 COc1ccc(cc1C)C(C)C 7a_200012180908_200000210301 [0,2,0,0,0,0|2,0,0]=4 4045 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [0,2,0,0,0,0|2,0,0]=4 4046 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [0,2,0,0,0,0|2,0,0]=4 4047 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,2,0,0,0,0|1,0,0]=3 4048 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,2,0,0,0,0|1,0,0]=3 4049 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,2,0,0,0,0|1,0,0]=3 4050 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,2,0,0,0,0|1,0,0]=3 4051 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,2,0,0,0,0|1,0,0]=3 4052 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,2,0,0,0,0|1,0,0]=3 4053 B12R1.48 COc1ccc(cc1Cl)C(C)C 34a_100012182850_200000210301 [0,2,0,0,0,0|2,0,0]=4 4054 B12R1.48 COc1ccc(cc1Cl)C(C)C 7a_100012182850_200000210301 [0,2,0,0,0,0|2,0,0]=4 4055 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200000210301 [0,2,0,0,0,0|2,0,0]=4 4056 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200000210301 [0,2,0,0,0,0|2,0,0]=4 4057 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,2,0,0,0,0|1,0,0]=3 4058 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,2,0,0,0,0|1,0,0]=3 4059 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,2,0,0,0,0|1,0,0]=3 4060 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,2,0,0,0,0|1,0,0]=3 4061 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200000210301 [0,2,0,0,0,0|2,0,0]=4 4062 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200000210301 [0,2,0,0,0,0|2,0,0]=4 4063 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,2,0,0,0,0|1,0,0]=3 4064 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,2,0,0,0,0|1,0,0]=3 4065 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200000210301 [0,2,0,0,0,0|2,0,0]=4 4066 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200000210301 [0,2,0,0,0,0|2,0,0]=4 4067 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,2,0,0,0,0|1,0,0]=3 4068 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,2,0,0,0,0|1,0,0]=3 4069 B12R1.48 COc1ccc(cc1N)C(C)C 34a_200000187366_200000210301 [0,2,0,0,0,0|2,0,0]=4 4070 B12R1.48 COc1ccc(cc1N)C(C)C 7a_200000187366_200000210301 [0,2,0,0,0,0|2,0,0]=4 4071 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200000210301 [0,2,0,0,0,0|2,0,0]=4 4072 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200000210301 [0,2,0,0,0,0|2,0,0]=4 4073 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,2,0,0,0,0|1,0,0]=3 4074 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,2,0,0,0,0|1,0,0]=3 4075 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,2,0,0,0,0|1,0,0]=3 4076 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,2,0,0,0,0|2,0,0]=4 4077 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [0,2,0,0,0,0|1,0,0]=3 4078 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [0,2,0,0,0,0|1,0,0]=3 4079 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [0,2,0,0,0,0|1,0,0]=3 4080 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [0,2,0,0,0,0|1,0,0]=3 4081 B12R1.48 CSc1ccc(cc1Br)C(C)C 62a_200000210301_200010212211 [0,2,0,0,0,0|2,0,0]=4 4082 B12R1.48 CSc1ccc(cc1Br)C(C)C 62a_200010212211_200000210301 [0,2,0,0,0,0|2,0,0]=4 4083 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [0,2,0,0,0,0|1,0,0]=3 4084 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [0,2,0,0,0,0|1,0,0]=3 4085 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [0,2,0,0,0,0|1,0,0]=3 4086 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [0,2,0,0,0,0|1,0,0]=3 4087 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [0,2,0,0,0,0|1,0,0]=3 4088 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [0,2,0,0,0,0|1,0,0]=3 4089 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [0,2,0,0,0,0|1,0,0]=3 4090 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [0,2,0,0,0,0|1,0,0]=3 4091 B12R1.48 CSc1ccc(cc1F)[C@H](C)N 62a_100134618348_200000210301 [0,2,0,0,0,0|2,0,0]=4 4092 B12R1.48 CSc1ccc(cc1F)[C@H](C)N 62a_200000210301_100134618348 [0,2,0,0,0,0|2,0,0]=4 4093 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [0,2,0,0,0,0|1,0,0]=3 4094 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,2,0,0,0,0|1,0,0]=3 4095 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,2,0,0,0,0|1,0,0]=3 4096 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_100011011822_200000210301 [0,2,0,0,0,0|2,0,0]=4 4097 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_200000210301_100011011822 [0,2,0,0,0,0|2,0,0]=4 4098 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_100009864263_200000210301 [0,2,0,0,0,0|2,0,0]=4 4099 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_200000210301_100009864263 [0,2,0,0,0,0|2,0,0]=4 4100 B12R1.48 C[C@H](N)c1ccc(c(c1)F)S[13CH3] 62a_100134618348_200025704644 [0,2,0,0,0,0|2,0,0]=4 4101 B12R1.48 C[C@H](N)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100134618348 [0,2,0,0,0,0|2,0,0]=4 4102 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [0,2,0,0,0,0|1,0,1]=4 4103 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [0,2,0,0,0,0|1,0,0]=3 4104 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [0,2,0,0,0,0|1,0,0]=3 4105 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 2230a_100000184110_200025704644 [0,2,0,0,0,0|2,0,0]=4 4106 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000184110_200025704644 [0,2,0,0,0,0|2,0,0]=4 4107 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 7a_100000184110_200025704644 [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 34a_200012180908_200025704644 [0,2,0,0,0,0|2,0,0]=4 4109 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 7a_200012180908_200025704644 [0,2,0,0,0,0|2,0,0]=4 4110 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [0,2,0,0,0,0|2,0,0]=4 4111 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [0,2,0,0,0,0|2,0,0]=4 4112 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [0,2,0,0,0,0|1,0,0]=3 4113 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [0,2,0,0,0,0|1,0,0]=3 4114 B12R1.48 O=Cc1ccc(cc1O)B(O)O 271570a_203496583355_100000062204 [0,2,0,0,0,0|2,0,0]=4 4115 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200025704644 [0,2,0,0,0,0|1,0,1]=4 4116 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200025704644 [0,2,0,0,0,0|1,0,1]=4 4117 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200025704644 [0,2,0,0,0,0|1,0,1]=4 4118 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,2,0,0,0,0|1,0,0]=3 4119 B12R1.48 [13CH3]Nc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_200025704644 [0,2,0,0,0,0|2,0,0]=4 4120 B12R1.48 [13CH3]Nc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_200025704644 [0,2,0,0,0,0|2,0,0]=4 4121 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200025704644 [0,2,0,0,0,0|2,0,0]=4 4122 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200025704644 [0,2,0,0,0,0|2,0,0]=4 4123 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,2,0,0,0,0|1,0,0]=3 4124 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,2,0,0,0,0|1,0,0]=3 4125 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200025704644 [0,2,0,0,0,0|2,0,0]=4 4126 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200025704644 [0,2,0,0,0,0|2,0,0]=4 4127 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200025704644 [0,2,0,0,0,0|2,0,0]=4 4128 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200025704644 [0,2,0,0,0,0|2,0,0]=4 4129 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200025704644 [0,2,0,0,0,0|2,0,0]=4 4130 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200025704644 [0,2,0,0,0,0|2,0,0]=4 4131 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200025704644 [0,2,0,0,0,0|2,0,0]=4 4132 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200025704644 [0,2,0,0,0,0|2,0,0]=4 4133 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [0,2,0,0,0,0|1,0,0]=3 4134 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [0,2,0,0,0,0|1,0,0]=3 4135 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [0,2,0,0,0,0|1,0,0]=3 4136 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [0,2,0,0,0,0|1,0,0]=3 4137 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,2,0,0,0,0|1,0,0]=3 4138 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,2,0,0,0,0|1,0,0]=3 4139 B12R1.113 C=C(C)c1ccc(cc1)/C=C/Br 271570a_100000694244_200016255901 [0,2,0,0,0,0|1,0,1]=4 4140 B12R1.113 C=C(C)c1ccc(cc1)/C=C/C 271570a_100000694244_100016259036 [0,2,0,0,0,0|1,0,1]=4 4141 B12R1.113 C=C(C)c1ccc(cc1)C=CC 271570a_100016259895_100000185454 [0,2,0,0,0,0|1,0,1]=4 4142 B12R1.113 C=C(C)c1ccc(cc1)CC#N 271570a_100000694244_100011217881 [0,2,0,0,0,0|1,0,1]=4 4143 B12R1.113 C=C(C)c1ccc(cc1)CC=O 271570a_100000694244_100011361690 [0,2,0,0,0,0|0,0,1]=3 4144 B12R1.113 C=C(C)c1ccc(cc1)CCC 271570a_100000694244_100000750032 [0,2,0,0,0,0|1,0,0]=3 4145 B12R1.113 C=C(C)c1ccc(cc1)CCN 271570a_100000694244_100000755846 [0,2,0,0,0,0|1,0,0]=3 4146 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [0,2,0,0,0,0|1,0,0]=3 4147 B12R1.113 C=C(C)c1ccc(cc1)CNC 26a_100102657272_100009880102 [0,2,0,0,0,0|1,0,0]=3 4148 B12R1.113 C=C(C)c1ccc(cc1)CNC 271570a_100000694244_100000180866 [0,2,0,0,0,0|1,0,0]=3 4149 B12R1.113 C=C(C)c1ccc(cc1)CNN 271570a_100000694244_100016993955 [0,2,0,0,0,0|2,0,0]=4 4150 B12R1.113 C=C(C)c1ccc(cc1)COC 271570a_100000694244_100011493685 [0,2,0,0,0,0|1,0,0]=3 4151 B12R1.113 C=C(C)c1ccc(cc1)NCC 271570a_100000694244_100000219632 [0,2,0,0,0,0|1,0,0]=3 4152 B12R1.113 C=C(C)c1ccc(cc1)OCC 271570a_100000694244_100000169946 [0,2,0,0,0,0|1,0,0]=3 4153 B12R1.113 C=C(C)c1ccc(cc1)OCC 34a_100009880102_100000210202 [0,2,0,0,0,0|1,0,0]=3 4154 B12R1.113 C=C(C)c1ccc(cc1)OCC 7a_100009880102_100000210202 [0,2,0,0,0,0|1,0,0]=3 4155 B12R1.113 C=C(C)c1ccc(cc1)OCF 34a_100009880102_100015361967 [0,2,0,0,0,0|2,0,0]=4 4156 B12R1.113 C=C(C)c1ccc(cc1)OCF 7a_100009880102_100015361967 [0,2,0,0,0,0|2,0,0]=4 4157 B12R1.113 C=C(C)c1ccc(cc1)SCC 271570a_100000694244_200009811893 [0,2,0,0,0,0|1,0,0]=3 4158 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000185454_100000210202 [0,2,0,0,0,0|1,0,0]=3 4159 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000210202_100000185454 [0,2,0,0,0,0|1,0,0]=3 4160 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100000185454_100015361967 [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100015361967_100000185454 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.113 C=C(C)c1ccc(cn1)CCO 271570a_100000694244_100009880866 [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.113 C=C(C)c1ccc(cn1)CNC 271570a_100000694244_100000026953 [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.113 C=C(C)c1ccc(cn1)CSC 271570a_100000694244_100000753673 [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.113 C=C(C)c1ccc(cn1)OCC 271570a_100000694244_100000753957 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.113 C=C(C)c1ccc(nc1)CCO 271570a_100000694244_100012357577 [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.113 C=C(C)c1ccc(nc1)NCC 271570a_100000694244_100000741496 [0,2,0,0,0,0|2,0,0]=4 4168 B12R1.113 C=C(C)c1ccc(nc1)OCC 271570a_100000694244_100011219444 [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.113 C=C(C)c1ccc(nc1)SCC 271570a_100000694244_100000690189 [0,2,0,0,0,0|2,0,0]=4 4170 B12R1.113 C=C=Cc1ccc(cc1)C(=C)C 271570a_100015277604_100000185454 [0,2,0,0,0,0|1,0,1]=4 4171 B12R1.113 C=C=Cc1ccc(cc1)C(=O)C 271570a_100015277604_100000185465 [0,2,0,0,0,0|0,0,2]=4 4172 B12R1.113 C=C=Cc1ccc(cc1)C(=O)N 271570a_100015277604_100000162191 [0,2,0,0,0,0|0,0,2]=4 4173 B12R1.113 C=C=Cc1ccc(cc1)C(C)C 271570a_100015277604_100000750031 [0,2,0,0,0,0|1,0,0]=3 4174 B12R1.113 C=C=Cc1ccc(cc1)C(C)O 271570a_100015277604_100000745893 [0,2,0,0,0,0|1,0,0]=3 4175 B12R1.113 C=C=Cc1ccc(cc1)C(F)F 271570a_100015277604_100010189923 [0,2,0,0,0,0|2,0,0]=4 4176 B12R1.113 C=C=Cc1ccc(cc1)N(C)C 271570a_100015277604_100000210421 [0,2,0,0,0,0|2,0,0]=4 4177 B12R1.113 C=C=Cc1ccc(cc1)S(=O)C 271570a_100015277604_100009816266 [0,2,0,0,0,0|2,0,0]=4 4178 B12R1.113 C=C=Cc1ccc(cc1)[C@@H](C)N 271570a_100015277604_100000720352 [0,2,0,0,0,0|1,0,0]=3 4179 B12R1.113 C=C=Cc1ccc(cc1)[C@H](C)N 271570a_100015277604_100000753911 [0,2,0,0,0,0|1,0,0]=3 4180 B12R1.113 C=C=Cc1ccc(cn1)C(C)C 271570a_100015277604_200009815286 [0,2,0,0,0,0|2,0,0]=4 4181 B12R1.113 C=C=Cc1ccc(cn1)C(C)O 271570a_100015277604_200010274204 [0,2,0,0,0,0|2,0,0]=4 4182 B12R1.113 C=C=Cc1ccc(cn1)[C@H](C)N 271570a_100015277604_100015387476 [0,2,0,0,0,0|2,0,0]=4 4183 B12R1.113 C=C=Cc1ccc(nc1)C(C)C 271570a_100015277604_100010255768 [0,2,0,0,0,0|2,0,0]=4 4184 B12R1.113 C=C=Cc1ccc(nc1)C(C)N 271570a_100015277604_100000723930 [0,2,0,0,0,0|2,0,0]=4 4185 B12R1.113 C=C=Cc1ccc(nc1)C(C)O 271570a_100015277604_100012353650 [0,2,0,0,0,0|2,0,0]=4 4186 B12R1.113 CC#Cc1ccc(cc1)C(=O)C 1458a_100009923575_200000210301 [0,2,0,0,0,0|0,0,1]=3 4187 B12R1.113 CC#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100009923575_200025704644 [0,2,0,0,0,0|0,0,1]=3 4188 B12R1.113 CC(=O)c1ccc(cc1)CC#N 1458a_100000693995_200000210301 [0,2,0,0,0,0|0,0,1]=3 4189 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [0,2,0,0,0,0|0,0,0]=2 4190 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [0,2,0,0,0,0|0,0,0]=2 4191 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_100000756337_200025704644 [0,2,0,0,0,0|0,0,0]=2 4192 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000756337 [0,2,0,0,0,0|0,0,0]=2 4193 B12R1.113 CC(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200000210301 [0,2,0,0,0,0|2,0,0]=4 4194 B12R1.113 CC(=O)c1ccc(cc1)OCF 34a_100000185113_100015361967 [0,2,0,0,0,0|1,0,0]=3 4195 B12R1.113 CC(=O)c1ccc(cc1)OCF 7a_100000185113_100015361967 [0,2,0,0,0,0|1,0,0]=3 4196 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100000185465_100015361967 [0,2,0,0,0,0|1,0,0]=3 4197 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000185465 [0,2,0,0,0,0|1,0,0]=3 4198 B12R1.113 CC(=O)c1ccc(cn1)OCF 34a_100012001710_100015361967 [0,2,0,0,0,0|2,0,0]=4 4199 B12R1.113 CC(=O)c1ccc(cn1)OCF 7a_100012001710_100015361967 [0,2,0,0,0,0|2,0,0]=4 4200 B12R1.113 CC(=O)c1ccc(cn1)SCF 62a_100000686046_100015361967 [0,2,0,0,0,0|2,0,0]=4 4201 B12R1.113 CC(=O)c1ccc(cn1)SCF 62a_100015361967_100000686046 [0,2,0,0,0,0|2,0,0]=4 4202 B12R1.113 CC(=O)c1ccc(nc1)SCF 62a_100000684857_100015361967 [0,2,0,0,0,0|2,0,0]=4 4203 B12R1.113 CC(=O)c1ccc(nc1)SCF 62a_100015361967_100000684857 [0,2,0,0,0,0|2,0,0]=4 4204 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 2230a_100000174979_200025704644 [0,2,0,0,0,0|1,0,1]=4 4205 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 34a_100000174979_200025704644 [0,2,0,0,0,0|1,0,1]=4 4206 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 34a_100000181325_200025704644 [0,2,0,0,0,0|0,0,2]=4 4207 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 7a_100000181325_200025704644 [0,2,0,0,0,0|0,0,2]=4 4208 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_100000181262_200025704644 [0,2,0,0,0,0|0,1,1]=4 4209 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000181262 [0,2,0,0,0,0|0,1,1]=4 4210 B12R1.113 CC(C)c1ccc(cc1)NCF 34a_100000210773_100015361967 [0,2,0,0,0,0|1,0,1]=4 4211 B12R1.113 CC(C)c1ccc(cc1)NCF 7a_100000210773_100015361967 [0,2,0,0,0,0|1,0,1]=4 4212 B12R1.113 CC(C)c1ccc(cc1)OCF 34a_100000181308_100015361967 [0,2,0,0,0,0|1,0,1]=4 4213 B12R1.113 CC(C)c1ccc(cc1)OCF 7a_100000181308_100015361967 [0,2,0,0,0,0|1,0,1]=4 4214 B12R1.113 CC(C)c1ccc(cc1)SCF 62a_100000750031_100015361967 [0,2,0,0,0,0|1,0,1]=4 4215 B12R1.113 CC(C)c1ccc(cc1)SCF 62a_100015361967_100000750031 [0,2,0,0,0,0|1,0,1]=4 4216 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 2230a_200000048501_200025704644 [0,2,0,0,0,0|0,0,2]=4 4217 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 34a_200000048501_200025704644 [0,2,0,0,0,0|0,0,2]=4 4218 B12R1.113 CC(O)c1ccc(cc1)NCF 34a_100011216399_100015361967 [0,2,0,0,0,0|1,0,1]=4 4219 B12R1.113 CC(O)c1ccc(cc1)OCF 34a_100000754508_100015361967 [0,2,0,0,0,0|1,0,1]=4 4220 B12R1.113 CC(O)c1ccc(cc1)OCF 7a_100000754508_100015361967 [0,2,0,0,0,0|1,0,1]=4 4221 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100000745893_100015361967 [0,2,0,0,0,0|1,0,1]=4 4222 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100015361967_100000745893 [0,2,0,0,0,0|1,0,1]=4 4223 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [0,2,0,0,0,0|0,0,1]=3 4224 B12R1.113 CC=Cc1ccc(cc1)C(=O)N 271570a_100016259895_100000162191 [0,2,0,0,0,0|0,0,1]=3 4225 B12R1.113 CC=Cc1ccc(cc1)C(C)C 271570a_100016259895_100000750031 [0,2,0,0,0,0|1,0,0]=3 4226 B12R1.113 CC=Cc1ccc(cc1)C(C)O 271570a_100016259895_100000745893 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.113 CC=Cc1ccc(cc1)C(F)F 271570a_100016259895_100010189923 [0,2,0,0,0,0|2,0,0]=4 4228 B12R1.113 CC=Cc1ccc(cc1)N(C)C 271570a_100016259895_100000210421 [0,2,0,0,0,0|2,0,0]=4 4229 B12R1.113 CC=Cc1ccc(cc1)S(=O)C 271570a_100016259895_100009816266 [0,2,0,0,0,0|1,0,1]=4 4230 B12R1.113 CC=Cc1ccc(cc1)[C@@H](C)N 271570a_100016259895_100000720352 [0,2,0,0,0,0|1,0,0]=3 4231 B12R1.113 CC=Cc1ccc(cc1)[C@H](C)N 271570a_100016259895_100000753911 [0,2,0,0,0,0|1,0,0]=3 4232 B12R1.113 CC=Cc1ccc(cn1)C(=O)C 271570a_100016259895_100000684857 [0,2,0,0,0,0|1,0,1]=4 4233 B12R1.113 CC=Cc1ccc(cn1)C(=O)N 271570a_100016259895_100000162237 [0,2,0,0,0,0|1,0,1]=4 4234 B12R1.113 CC=Cc1ccc(cn1)C(C)C 271570a_100016259895_200009815286 [0,2,0,0,0,0|2,0,0]=4 4235 B12R1.113 CC=Cc1ccc(cn1)C(C)O 271570a_100016259895_200010274204 [0,2,0,0,0,0|2,0,0]=4 4236 B12R1.113 CC=Cc1ccc(cn1)[C@H](C)N 271570a_100016259895_100015387476 [0,2,0,0,0,0|2,0,0]=4 4237 B12R1.113 CC=Cc1ccc(nc1)C(=O)C 271570a_100016259895_100000686046 [0,2,0,0,0,0|1,0,1]=4 4238 B12R1.113 CC=Cc1ccc(nc1)C(=O)N 271570a_100016259895_100011219284 [0,2,0,0,0,0|1,0,1]=4 4239 B12R1.113 CC=Cc1ccc(nc1)C(C)C 271570a_100016259895_100010255768 [0,2,0,0,0,0|2,0,0]=4 4240 B12R1.113 CC=Cc1ccc(nc1)C(C)N 271570a_100016259895_100000723930 [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.113 CC=Cc1ccc(nc1)C(C)O 271570a_100016259895_100012353650 [0,2,0,0,0,0|2,0,0]=4 4242 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [0,2,0,0,0,0|0,0,0]=2 4243 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [0,2,0,0,0,0|0,0,0]=2 4244 B12R1.113 CCNc1ccc(cc1)C(=O)N 27a_100015525214_100000162191 [0,2,0,0,0,0|0,0,0]=2 4245 B12R1.113 CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210202 [0,2,0,0,0,0|0,0,0]=2 4246 B12R1.113 CCNc1ccc(cc1)C(C)C 2230a_100000210773_100000210202 [0,2,0,0,0,0|1,0,1]=4 4247 B12R1.113 CCNc1ccc(cc1)C(C)C 34a_100000210773_100000210202 [0,2,0,0,0,0|1,0,1]=4 4248 B12R1.113 CCNc1ccc(cc1)C(C)C 7a_100000210773_100000210202 [0,2,0,0,0,0|1,0,1]=4 4249 B12R1.113 CCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210202 [0,2,0,0,0,0|0,0,2]=4 4250 B12R1.113 CCNc1ccc(cc1)C(C)O 34a_100011216399_100000210202 [0,2,0,0,0,0|0,0,2]=4 4251 B12R1.113 CCNc1ccc(cc1)C(F)F 34a_100020620101_100000210202 [0,2,0,0,0,0|1,0,1]=4 4252 B12R1.113 CCNc1ccc(cc1)C(F)F 7a_100020620101_100000210202 [0,2,0,0,0,0|1,0,1]=4 4253 B12R1.113 CCNc1ccc(cc1)N(C)C 34a_100016997997_100000210202 [0,2,0,0,0,0|2,0,0]=4 4254 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210202 [0,2,0,0,0,0|1,0,0]=3 4255 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210202 [0,2,0,0,0,0|1,0,0]=3 4256 B12R1.113 CCNc1ccc(cn1)C(=O)C 27a_100015525214_100000690552 [0,2,0,0,0,0|1,0,0]=3 4257 B12R1.113 CCNc1ccc(cn1)C(=O)N 27a_100015525214_100000162237 [0,2,0,0,0,0|1,0,0]=3 4258 B12R1.113 CCNc1ccc(nn1)C(=O)N 27a_100015525214_100000761398 [0,2,0,0,0,0|2,0,0]=4 4259 B12R1.113 CCNc1cnc(cn1)C(=O)C 27a_100015525214_100009883172 [0,2,0,0,0,0|2,0,0]=4 4260 B12R1.113 CCNc1cnc(cn1)C(=O)N 27a_100015525214_100000738300 [0,2,0,0,0,0|2,0,0]=4 4261 B12R1.113 CCNc1ncc(cn1)C(=O)C 27a_100015525214_100000099681 [0,2,0,0,0,0|2,0,0]=4 4262 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [0,2,0,0,0,0|0,0,0]=2 4263 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [0,2,0,0,0,0|0,0,0]=2 4264 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [0,2,0,0,0,0|0,0,0]=2 4265 B12R1.113 CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210202 [0,2,0,0,0,0|0,0,0]=2 4266 B12R1.113 CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210202 [0,2,0,0,0,0|0,0,0]=2 4267 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [0,2,0,0,0,0|0,0,0]=2 4268 B12R1.113 CCOc1ccc(cc1)C(C)C 34a_100000181308_100000210202 [0,2,0,0,0,0|1,0,1]=4 4269 B12R1.113 CCOc1ccc(cc1)C(C)C 7a_100000181308_100000210202 [0,2,0,0,0,0|1,0,1]=4 4270 B12R1.113 CCOc1ccc(cc1)C(C)O 34a_100000754508_100000210202 [0,2,0,0,0,0|0,0,2]=4 4271 B12R1.113 CCOc1ccc(cc1)C(C)O 7a_100000754508_100000210202 [0,2,0,0,0,0|0,0,2]=4 4272 B12R1.113 CCOc1ccc(cc1)N(C)C 2230a_100025784348_200000210301 [0,2,0,0,0,0|2,0,0]=4 4273 B12R1.113 CCOc1ccc(cc1)N(C)C 269982a_100025784348_200000210301 [0,2,0,0,0,0|2,0,0]=4 4274 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100000718910_100000210202 [0,2,0,0,0,0|2,0,0]=4 4275 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100025784348_200000210301 [0,2,0,0,0,0|2,0,0]=4 4276 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 2230a_100025784348_200025704644 [0,2,0,0,0,0|2,0,0]=4 4277 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 269982a_100025784348_200025704644 [0,2,0,0,0,0|2,0,0]=4 4278 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 34a_100025784348_200025704644 [0,2,0,0,0,0|2,0,0]=4 4279 B12R1.113 CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210202 [0,2,0,0,0,0|1,0,0]=3 4280 B12R1.113 CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210202 [0,2,0,0,0,0|1,0,0]=3 4281 B12R1.113 CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210202 [0,2,0,0,0,0|1,0,1]=4 4282 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210202 [0,2,0,0,0,0|1,0,0]=3 4283 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210202 [0,2,0,0,0,0|1,0,0]=3 4284 B12R1.113 CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210202 [0,2,0,0,0,0|2,0,0]=4 4285 B12R1.113 CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210202 [0,2,0,0,0,0|2,0,0]=4 4286 B12R1.113 CCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210202 [0,2,0,0,0,0|1,0,0]=3 4287 B12R1.113 CCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210202 [0,2,0,0,0,0|1,0,0]=3 4288 B12R1.113 CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000210202 [0,2,0,0,0,0|2,0,0]=4 4289 B12R1.113 CCSc1ccc(cc1)B(O)O 62a_100000210202_100000754493 [0,2,0,0,0,0|1,0,1]=4 4290 B12R1.113 CCSc1ccc(cc1)B(O)O 62a_100000754493_100000210202 [0,2,0,0,0,0|1,0,1]=4 4291 B12R1.113 CCSc1ccc(cc1)C(=O)C 1458a_100000244969_200000210301 [0,2,0,0,0,0|0,0,0]=2 4292 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210202 [0,2,0,0,0,0|0,0,0]=2 4293 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000210202_100000185465 [0,2,0,0,0,0|0,0,0]=2 4294 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210202 [0,2,0,0,0,0|0,0,0]=2 4295 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000210202_100000162191 [0,2,0,0,0,0|0,0,0]=2 4296 B12R1.113 CCSc1ccc(cc1)C(=O)[13CH3] 1458a_100000244969_200025704644 [0,2,0,0,0,0|0,0,0]=2 4297 B12R1.113 CCSc1ccc(cc1)C(C)C 62a_100000210202_100000750031 [0,2,0,0,0,0|1,0,1]=4 4298 B12R1.113 CCSc1ccc(cc1)C(C)C 62a_100000750031_100000210202 [0,2,0,0,0,0|1,0,1]=4 4299 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000210202_100000745893 [0,2,0,0,0,0|0,0,2]=4 4300 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000745893_100000210202 [0,2,0,0,0,0|0,0,2]=4 4301 B12R1.113 CCSc1ccc(cc1)C(F)F 62a_100000210202_100000687661 [0,2,0,0,0,0|1,0,1]=4 4302 B12R1.113 CCSc1ccc(cc1)C(F)F 62a_100000687661_100000210202 [0,2,0,0,0,0|1,0,1]=4 4303 B12R1.113 CCSc1ccc(cc1)N(C)C 62a_100000210202_100000210421 [0,2,0,0,0,0|2,0,0]=4 4304 B12R1.113 CCSc1ccc(cc1)N(C)C 62a_100000210421_100000210202 [0,2,0,0,0,0|2,0,0]=4 4305 B12R1.113 CCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210202 [0,2,0,0,0,0|1,0,0]=3 4306 B12R1.113 CCSc1ccc(cc1)[C@@H](C)N 62a_100000210202_100000720352 [0,2,0,0,0,0|1,0,1]=4 4307 B12R1.113 CCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210202 [0,2,0,0,0,0|1,0,1]=4 4308 B12R1.113 CCSc1ccc(cc1)[C@H](C)N 62a_100000210202_100000753911 [0,2,0,0,0,0|1,0,1]=4 4309 B12R1.113 CCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210202 [0,2,0,0,0,0|1,0,1]=4 4310 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000210202_100000684857 [0,2,0,0,0,0|1,0,0]=3 4311 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000684857_100000210202 [0,2,0,0,0,0|1,0,0]=3 4312 B12R1.113 CCSc1ccc(cn1)C(=O)N 62a_100000162237_100000210202 [0,2,0,0,0,0|1,0,0]=3 4313 B12R1.113 CCSc1ccc(cn1)C(=O)N 62a_100000210202_100000162237 [0,2,0,0,0,0|1,0,0]=3 4314 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000210202_100000686046 [0,2,0,0,0,0|1,0,0]=3 4315 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000686046_100000210202 [0,2,0,0,0,0|1,0,0]=3 4316 B12R1.113 CCSc1ccc(nc1)C(=O)N 62a_100000210202_100011219284 [0,2,0,0,0,0|1,0,0]=3 4317 B12R1.113 CCSc1ccc(nc1)C(=O)N 62a_100011219284_100000210202 [0,2,0,0,0,0|1,0,0]=3 4318 B12R1.113 CCSc1ccc(nn1)C(=O)N 62a_100000210202_100000761398 [0,2,0,0,0,0|2,0,0]=4 4319 B12R1.113 CCSc1ccc(nn1)C(=O)N 62a_100000761398_100000210202 [0,2,0,0,0,0|2,0,0]=4 4320 B12R1.113 CCSc1cnc(cn1)C(=O)C 62a_100000210202_100009883172 [0,2,0,0,0,0|2,0,0]=4 4321 B12R1.113 CCSc1cnc(cn1)C(=O)C 62a_100009883172_100000210202 [0,2,0,0,0,0|2,0,0]=4 4322 B12R1.113 CCSc1cnc(cn1)C(=O)N 62a_100000210202_100000738300 [0,2,0,0,0,0|2,0,0]=4 4323 B12R1.113 CCSc1cnc(cn1)C(=O)N 62a_100000738300_100000210202 [0,2,0,0,0,0|2,0,0]=4 4324 B12R1.113 CCSc1cnc(nc1)C(=O)C 62a_100000210202_100010077182 [0,2,0,0,0,0|2,0,0]=4 4325 B12R1.113 CCSc1cnc(nc1)C(=O)C 62a_100010077182_100000210202 [0,2,0,0,0,0|2,0,0]=4 4326 B12R1.113 CCSc1cnc(nc1)C(=O)N 62a_100000210202_100009996756 [0,2,0,0,0,0|2,0,0]=4 4327 B12R1.113 CCSc1cnc(nc1)C(=O)N 62a_100009996756_100000210202 [0,2,0,0,0,0|2,0,0]=4 4328 B12R1.113 CCSc1ncc(cn1)C(=O)C 62a_100000099681_100000210202 [0,2,0,0,0,0|2,0,0]=4 4329 B12R1.113 CCSc1ncc(cn1)C(=O)C 62a_100000210202_100000099681 [0,2,0,0,0,0|2,0,0]=4 4330 B12R1.113 CN(C)c1ccc(cc1)CO[13CH3] 34a_100000238745_200025704644 [0,2,0,0,0,0|2,0,0]=4 4331 B12R1.113 CNCc1ccc(cc1)B(O)O 2230a_106832991635_100009813762 [0,2,0,0,0,0|1,0,1]=4 4332 B12R1.113 CNCc1ccc(cc1)B(O)O 34a_100102657272_100009813762 [0,2,0,0,0,0|1,0,1]=4 4333 B12R1.113 CNCc1ccc(cc1)B(O)O 7a_106832991635_100009813762 [0,2,0,0,0,0|1,0,1]=4 4334 B12R1.113 CNCc1ccc(cc1)C(=O)C 2230a_106832991635_100000756337 [0,2,0,0,0,0|0,0,0]=2 4335 B12R1.113 CNCc1ccc(cc1)C(=O)C 26a_100102657272_100000185113 [0,2,0,0,0,0|0,0,0]=2 4336 B12R1.113 CNCc1ccc(cc1)C(=O)C 34a_100102657272_100000756337 [0,2,0,0,0,0|0,0,0]=2 4337 B12R1.113 CNCc1ccc(cc1)C(=O)C 7a_106832991635_100000756337 [0,2,0,0,0,0|0,0,0]=2 4338 B12R1.113 CNCc1ccc(cc1)C(=O)N 207a_100102657272_100000038677 [0,2,0,0,0,0|0,0,0]=2 4339 B12R1.113 CNCc1ccc(cc1)C(=O)N 2230a_106832991635_100000231043 [0,2,0,0,0,0|0,0,0]=2 4340 B12R1.113 CNCc1ccc(cc1)C(=O)N 270004a_106832991635_100000038677 [0,2,0,0,0,0|0,0,0]=2 4341 B12R1.113 CNCc1ccc(cc1)C(=O)N 34a_100102657272_100000231043 [0,2,0,0,0,0|0,0,0]=2 4342 B12R1.113 CNCc1ccc(cc1)C(=O)N 7a_106832991635_100000231043 [0,2,0,0,0,0|0,0,0]=2 4343 B12R1.113 CNCc1ccc(cc1)C(=O)O 269956a_100000181780_200000210301 [0,2,0,0,0,0|0,0,0]=2 4344 B12R1.113 CNCc1ccc(cc1)C(=O)[O-] 26a_100102657272_100016998105 [0,2,0,0,0,0|0,0,0]=2 4345 B12R1.113 CNCc1ccc(cc1)C(C)C 207a_100102657272_100000210693 [0,2,0,0,0,0|1,0,1]=4 4346 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_100000174979_200000210301 [0,2,0,0,0,0|1,0,1]=4 4347 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_106832991635_100000181262 [0,2,0,0,0,0|1,0,1]=4 4348 B12R1.113 CNCc1ccc(cc1)C(C)C 26a_100102657272_100000181308 [0,2,0,0,0,0|1,0,1]=4 4349 B12R1.113 CNCc1ccc(cc1)C(C)C 270004a_106832991635_100000210693 [0,2,0,0,0,0|1,0,1]=4 4350 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100000174979_200000210301 [0,2,0,0,0,0|1,0,1]=4 4351 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100102657272_100000181262 [0,2,0,0,0,0|1,0,1]=4 4352 B12R1.113 CNCc1ccc(cc1)C(C)C 7a_106832991635_100000181262 [0,2,0,0,0,0|1,0,1]=4 4353 B12R1.113 CNCc1ccc(cc1)C(C)O 2230a_200000048501_200000210301 [0,2,0,0,0,0|0,0,2]=4 4354 B12R1.113 CNCc1ccc(cc1)C(C)O 26a_100102657272_100000754508 [0,2,0,0,0,0|0,0,2]=4 4355 B12R1.113 CNCc1ccc(cc1)C(C)O 34a_200000048501_200000210301 [0,2,0,0,0,0|0,0,2]=4 4356 B12R1.113 CNCc1ccc(cc1)C(F)F 2230a_100025706676_200000210301 [0,2,0,0,0,0|1,0,1]=4 4357 B12R1.113 CNCc1ccc(cc1)C(F)F 2230a_106832991635_200012343607 [0,2,0,0,0,0|1,0,1]=4 4358 B12R1.113 CNCc1ccc(cc1)C(F)F 34a_100025706676_200000210301 [0,2,0,0,0,0|1,0,1]=4 4359 B12R1.113 CNCc1ccc(cc1)C(F)F 34a_100102657272_200012343607 [0,2,0,0,0,0|1,0,1]=4 4360 B12R1.113 CNCc1ccc(cc1)C(F)F 7a_106832991635_200012343607 [0,2,0,0,0,0|1,0,1]=4 4361 B12R1.113 CNCc1ccc(cc1)N(C)C 207a_100102657272_100000185837 [0,2,0,0,0,0|2,0,0]=4 4362 B12R1.113 CNCc1ccc(cc1)N(C)C 270004a_106832991635_100000185837 [0,2,0,0,0,0|2,0,0]=4 4363 B12R1.113 CNCc1ccc(cc1)S(=O)C 26a_100102657272_200000064373 [0,2,0,0,0,0|1,0,0]=3 4364 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 207a_100102657272_100000189386 [0,2,0,0,0,0|1,0,0]=3 4365 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200000210301 [0,2,0,0,0,0|1,0,0]=3 4366 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000181861 [0,2,0,0,0,0|1,0,0]=3 4367 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 26a_100102657272_100000185810 [0,2,0,0,0,0|1,0,0]=3 4368 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 270004a_106832991635_100000189386 [0,2,0,0,0,0|1,0,0]=3 4369 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200000210301 [0,2,0,0,0,0|1,0,0]=3 4370 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000181861 [0,2,0,0,0,0|1,0,0]=3 4371 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000181861 [0,2,0,0,0,0|1,0,0]=3 4372 B12R1.113 CNCc1ccc(cc1)[S+](C)C 26a_100102657272_100010188728 [0,2,0,0,0,0|2,0,0]=4 4373 B12R1.113 CNCc1ccc(nc1)C(=O)O 269956a_100000762669_200000210301 [0,2,0,0,0,0|1,0,0]=3 4374 B12R1.113 COCc1ccc(cc1)B(O)O 34a_100138415774_100009813762 [0,2,0,0,0,0|1,0,1]=4 4375 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [0,2,0,0,0,0|0,0,0]=2 4376 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [0,2,0,0,0,0|0,0,0]=2 4377 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [0,2,0,0,0,0|0,0,0]=2 4378 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100000162016_200000210301 [0,2,0,0,0,0|0,0,0]=2 4379 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100138415774_100000231043 [0,2,0,0,0,0|0,0,0]=2 4380 B12R1.113 COCc1ccc(cc1)C(=O)N 7a_100000162016_200000210301 [0,2,0,0,0,0|0,0,0]=2 4381 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [0,2,0,0,0,0|0,0,0]=2 4382 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100000181325_200000210301 [0,2,0,0,0,0|0,0,2]=4 4383 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100138415774_100000181262 [0,2,0,0,0,0|0,0,2]=4 4384 B12R1.113 COCc1ccc(cc1)C(C)C 7a_100000181325_200000210301 [0,2,0,0,0,0|0,0,2]=4 4385 B12R1.113 COCc1ccc(cc1)C(F)F 34a_100138415774_200012343607 [0,2,0,0,0,0|1,0,1]=4 4386 B12R1.113 COCc1ccc(cc1)N(C)C 34a_100000238745_200000210301 [0,2,0,0,0,0|2,0,0]=4 4387 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [0,2,0,0,0,0|1,0,0]=3 4388 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [0,2,0,0,0,0|1,0,0]=3 4389 B12R1.113 CS(=O)c1ccc(cc1)OCF 34a_200000064373_100015361967 [0,2,0,0,0,0|2,0,0]=4 4390 B12R1.113 CS(=O)c1ccc(cc1)OCF 7a_200000064373_100015361967 [0,2,0,0,0,0|2,0,0]=4 4391 B12R1.113 CS(=O)c1ccc(cc1)SCF 62a_100009816266_100015361967 [0,2,0,0,0,0|2,0,0]=4 4392 B12R1.113 CSCc1ccc(cc1)B(O)O 62a_100009813762_200000210301 [0,2,0,0,0,0|1,0,1]=4 4393 B12R1.113 CSCc1ccc(cc1)B(O)O 62a_200000210301_100009813762 [0,2,0,0,0,0|1,0,1]=4 4394 B12R1.113 CSCc1ccc(cc1)C(=O)C 1458a_100000175442_200000210301 [0,2,0,0,0,0|0,0,0]=2 4395 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_100000756337_200000210301 [0,2,0,0,0,0|0,0,0]=2 4396 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_200000210301_100000756337 [0,2,0,0,0,0|0,0,0]=2 4397 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_100000231043_200000210301 [0,2,0,0,0,0|0,0,0]=2 4398 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_200000210301_100000231043 [0,2,0,0,0,0|0,0,0]=2 4399 B12R1.113 CSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000175442_200025704644 [0,2,0,0,0,0|0,0,0]=2 4400 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_100000181262_200000210301 [0,2,0,0,0,0|0,1,1]=4 4401 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_200000210301_100000181262 [0,2,0,0,0,0|0,1,1]=4 4402 B12R1.113 CSCc1ccc(cc1)C(F)F 62a_200000210301_200012343607 [0,2,0,0,0,0|1,0,1]=4 4403 B12R1.113 CSCc1ccc(cc1)C(F)F 62a_200012343607_200000210301 [0,2,0,0,0,0|1,0,1]=4 4404 B12R1.113 CSCc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000184243 [0,2,0,0,0,0|1,0,0]=3 4405 B12R1.113 C[C@@H](N)c1ccc(cc1)SCF 62a_100000720352_100015361967 [0,2,0,0,0,0|1,0,1]=4 4406 B12R1.113 C[C@@H](N)c1ccc(cc1)SCF 62a_100015361967_100000720352 [0,2,0,0,0,0|1,0,1]=4 4407 B12R1.113 C[C@H](N)c1ccc(cc1)OCF 34a_100161106496_100015361967 [0,2,0,0,0,0|1,0,1]=4 4408 B12R1.113 C[C@H](N)c1ccc(cc1)SCF 62a_100000753911_100015361967 [0,2,0,0,0,0|1,0,1]=4 4409 B12R1.113 C[C@H](N)c1ccc(cc1)SCF 62a_100015361967_100000753911 [0,2,0,0,0,0|1,0,1]=4 4410 B12R1.113 NC(=O)c1ccc(cc1)NCF 34a_100000210537_100015361967 [0,2,0,0,0,0|1,0,0]=3 4411 B12R1.113 NC(=O)c1ccc(cc1)OCF 34a_100000746352_100015361967 [0,2,0,0,0,0|1,0,0]=3 4412 B12R1.113 NC(=O)c1ccc(cc1)OCF 7a_100000746352_100015361967 [0,2,0,0,0,0|1,0,0]=3 4413 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100000162191_100015361967 [0,2,0,0,0,0|1,0,0]=3 4414 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100015361967_100000162191 [0,2,0,0,0,0|1,0,0]=3 4415 B12R1.113 NC(=O)c1ccc(cn1)SCF 62a_100011219284_100015361967 [0,2,0,0,0,0|2,0,0]=4 4416 B12R1.113 NC(=O)c1ccc(cn1)SCF 62a_100015361967_100011219284 [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.113 NC(=O)c1ccc(nc1)SCF 62a_100000162237_100015361967 [0,2,0,0,0,0|2,0,0]=4 4418 B12R1.113 NC(=O)c1ccc(nc1)SCF 62a_100015361967_100000162237 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCF 34a_100015195142_100015361967 [0,2,0,0,0,0|2,0,0]=4 4420 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 34a_100000185810_100015361967 [0,2,0,0,0,0|2,0,0]=4 4421 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 7a_100000185810_100015361967 [0,2,0,0,0,0|2,0,0]=4 4422 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CC#N 1458a_100000693995_200025704644 [0,2,0,0,0,0|0,0,1]=3 4423 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [0,2,0,0,0,0|0,0,0]=2 4424 B12R1.113 [13CH3]C(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200025704644 [0,2,0,0,0,0|2,0,0]=4 4425 B12R1.113 [13CH3]NCc1ccc(cc1)C(=O)O 269956a_100000181780_200025704644 [0,2,0,0,0,0|0,0,0]=2 4426 B12R1.113 [13CH3]NCc1ccc(cc1)C(F)F 2230a_100025706676_200025704644 [0,2,0,0,0,0|1,0,1]=4 4427 B12R1.113 [13CH3]NCc1ccc(cc1)C(F)F 34a_100025706676_200025704644 [0,2,0,0,0,0|1,0,1]=4 4428 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200025704644 [0,2,0,0,0,0|1,0,0]=3 4429 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200025704644 [0,2,0,0,0,0|1,0,0]=3 4430 B12R1.113 [13CH3]NCc1ccc(nc1)C(=O)O 269956a_100000762669_200025704644 [0,2,0,0,0,0|1,0,0]=3 4431 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 34a_100000162016_200025704644 [0,2,0,0,0,0|0,0,0]=2 4432 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 7a_100000162016_200025704644 [0,2,0,0,0,0|0,0,0]=2 4433 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [0,2,0,0,0,0|1,0,0]=3 4434 B12R1.113 [13CH3]SCc1ccc(cc1)B(O)O 62a_100009813762_200025704644 [0,2,0,0,0,0|1,0,1]=4 4435 B12R1.113 [13CH3]SCc1ccc(cc1)B(O)O 62a_200025704644_100009813762 [0,2,0,0,0,0|1,0,1]=4 4436 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_100000231043_200025704644 [0,2,0,0,0,0|0,0,0]=2 4437 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_200025704644_100000231043 [0,2,0,0,0,0|0,0,0]=2 4438 B12R1.113 [13CH3]SCc1ccc(cc1)C(F)F 62a_200012343607_200025704644 [0,2,0,0,0,0|1,0,1]=4 4439 B12R1.113 [13CH3]SCc1ccc(cc1)C(F)F 62a_200025704644_200012343607 [0,2,0,0,0,0|1,0,1]=4 4440 B12R1.113 [13CH3]SCc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000184243 [0,2,0,0,0,0|1,0,0]=3 4441 B12R1.256 C=C(C)c1ccc(cc1)C(=C)C 271570a_100000694244_100000185454 [0,2,0,0,0,0|1,0,1]=4 4442 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 1458a_200009908186_200000210301 [0,2,0,0,0,0|0,0,1]=3 4443 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 271570a_100000694244_100000185465 [0,2,0,0,0,0|0,0,1]=3 4444 B12R1.256 C=C(C)c1ccc(cc1)C(=O)N 271570a_100000694244_100000162191 [0,2,0,0,0,0|0,0,1]=3 4445 B12R1.256 C=C(C)c1ccc(cc1)C(=O)[13CH3] 1458a_200009908186_200025704644 [0,2,0,0,0,0|0,0,1]=3 4446 B12R1.256 C=C(C)c1ccc(cc1)C(C)C 271570a_100000694244_100000750031 [0,2,0,0,0,0|1,0,0]=3 4447 B12R1.256 C=C(C)c1ccc(cc1)C(C)O 271570a_100000694244_100000745893 [0,2,0,0,0,0|1,0,0]=3 4448 B12R1.256 C=C(C)c1ccc(cc1)C(F)F 271570a_100000694244_100010189923 [0,2,0,0,0,0|2,0,0]=4 4449 B12R1.256 C=C(C)c1ccc(cc1)N(C)C 271570a_100000694244_100000210421 [0,2,0,0,0,0|2,0,0]=4 4450 B12R1.256 C=C(C)c1ccc(cc1)S(=O)C 271570a_100000694244_100009816266 [0,2,0,0,0,0|1,0,1]=4 4451 B12R1.256 C=C(C)c1ccc(cc1)[C@@H](C)N 271570a_100000694244_100000720352 [0,2,0,0,0,0|1,0,0]=3 4452 B12R1.256 C=C(C)c1ccc(cc1)[C@H](C)N 271570a_100000694244_100000753911 [0,2,0,0,0,0|1,0,0]=3 4453 B12R1.256 C=C(C)c1ccc(cn1)C(=O)C 271570a_100000694244_100000684857 [0,2,0,0,0,0|1,0,1]=4 4454 B12R1.256 C=C(C)c1ccc(cn1)C(=O)N 271570a_100000694244_100000162237 [0,2,0,0,0,0|1,0,1]=4 4455 B12R1.256 C=C(C)c1ccc(cn1)C(C)C 271570a_100000694244_200009815286 [0,2,0,0,0,0|2,0,0]=4 4456 B12R1.256 C=C(C)c1ccc(cn1)C(C)O 271570a_100000694244_200010274204 [0,2,0,0,0,0|2,0,0]=4 4457 B12R1.256 C=C(C)c1ccc(cn1)[C@H](C)N 271570a_100000694244_100015387476 [0,2,0,0,0,0|2,0,0]=4 4458 B12R1.256 C=C(C)c1ccc(nc1)C(=O)C 271570a_100000694244_100000686046 [0,2,0,0,0,0|1,0,1]=4 4459 B12R1.256 C=C(C)c1ccc(nc1)C(=O)N 271570a_100000694244_100011219284 [0,2,0,0,0,0|1,0,1]=4 4460 B12R1.256 C=C(C)c1ccc(nc1)C(C)C 271570a_100000694244_100010255768 [0,2,0,0,0,0|2,0,0]=4 4461 B12R1.256 C=C(C)c1ccc(nc1)C(C)N 271570a_100000694244_100000723930 [0,2,0,0,0,0|2,0,0]=4 4462 B12R1.256 C=C(C)c1ccc(nc1)C(C)O 271570a_100000694244_100012353650 [0,2,0,0,0,0|2,0,0]=4 4463 B12R1.256 CC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200000210301 [0,2,0,0,0,0|0,0,1]=3 4464 B12R1.256 CC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_200000210301 [0,2,0,0,0,0|0,0,0]=2 4465 B12R1.256 CC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_200000210301 [0,2,0,0,0,0|0,0,0]=2 4466 B12R1.256 CC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200000210301 [0,2,0,0,0,0|1,0,0]=3 4467 B12R1.256 CC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_200000210301 [0,2,0,0,0,0|1,0,0]=3 4468 B12R1.256 CC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_200000210301 [0,2,0,0,0,0|1,0,0]=3 4469 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200000210301 [0,2,0,0,0,0|1,0,1]=4 4470 B12R1.256 CC(=O)c1ccc(nc1)C(F)F 1458a_100009846429_200000210301 [0,2,0,0,0,0|2,0,0]=4 4471 B12R1.256 CC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000690552 [0,2,0,0,0,0|2,0,0]=4 4472 B12R1.256 CC(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210772_200025704644 [0,2,0,0,0,0|0,0,0]=2 4473 B12R1.256 CC(C)c1ccc(cc1)N(C)C 2230a_100000688768_200000210301 [0,2,0,0,0,0|2,0,0]=4 4474 B12R1.256 CC(C)c1ccc(cc1)N(C)C 269982a_100000688768_200000210301 [0,2,0,0,0,0|2,0,0]=4 4475 B12R1.256 CC(C)c1ccc(cc1)N(C)C 34a_100000688768_200000210301 [0,2,0,0,0,0|2,0,0]=4 4476 B12R1.256 CC(C)c1ccc(cc1)N(C)C 38a_100000688768_200000210301 [0,2,0,0,0,0|2,0,0]=4 4477 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 2230a_100000688768_200025704644 [0,2,0,0,0,0|2,0,0]=4 4478 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 269982a_100000688768_200025704644 [0,2,0,0,0,0|2,0,0]=4 4479 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 34a_100000688768_200025704644 [0,2,0,0,0,0|2,0,0]=4 4480 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 38a_100000688768_200025704644 [0,2,0,0,0,0|2,0,0]=4 4481 B12R1.256 CC(O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076921_200025704644 [0,2,0,0,0,0|0,0,0]=2 4482 B12R1.256 CN(C)c1ccc(cc1)C(=O)N 27a_100102631434_100000162191 [0,2,0,0,0,0|1,0,0]=3 4483 B12R1.256 CN(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210873_200025704644 [0,2,0,0,0,0|1,0,0]=3 4484 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200000210301 [0,2,0,0,0,0|2,0,0]=4 4485 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200000210301 [0,2,0,0,0,0|2,0,0]=4 4486 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200000210301 [0,2,0,0,0,0|2,0,0]=4 4487 B12R1.256 CN(C)c1ccc(cn1)C(=O)N 27a_100102631434_100000162237 [0,2,0,0,0,0|2,0,0]=4 4488 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200025704644 [0,2,0,0,0,0|2,0,0]=4 4489 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200025704644 [0,2,0,0,0,0|2,0,0]=4 4490 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200025704644 [0,2,0,0,0,0|2,0,0]=4 4491 B12R1.256 CS(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_200000217594_200025704644 [0,2,0,0,0,0|1,0,0]=3 4492 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200025704644 [0,2,0,0,0,0|0,0,1]=3 4493 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200025704644 [0,2,0,0,0,0|1,0,0]=3 4494 B12R1.256 [13CH3]C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200025704644 [0,2,0,0,0,0|1,0,1]=4 4495 B12R1.256 [13CH3]C(=O)c1ccc(nc1)C(F)F 1458a_100009846429_200025704644 [0,2,0,0,0,0|2,0,0]=4 4496 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)C 1458a_100103168756_200000210301 [0,2,0,0,0,0|0,0,2]=4 4497 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100103168756_200025704644 [0,2,0,0,0,0|0,0,2]=4 4498 B12R1.452 C=C(C)c1ccc(cc1Br)CC 271570a_100000694244_200009997437 [0,2,0,0,0,0|1,0,0]=3 4499 B12R1.452 C=C(C)c1ccc(cc1Br)OC 271570a_100000694244_100012349170 [0,2,0,0,0,0|2,0,0]=4 4500 B12R1.452 C=C(C)c1ccc(cc1C)C=O 271570a_100000694244_100000765772 [0,2,0,0,0,0|0,0,1]=3 4501 B12R1.452 C=C(C)c1ccc(cc1C)CN 271570a_100000694244_100015205234 [0,2,0,0,0,0|2,0,0]=4 4502 B12R1.452 C=C(C)c1ccc(cc1C)CO 271570a_100000694244_100000718852 [0,2,0,0,0,0|2,0,0]=4 4503 B12R1.452 C=C(C)c1ccc(cc1C)NC 271570a_100000694244_100102888905 [0,2,0,0,0,0|2,0,0]=4 4504 B12R1.452 C=C(C)c1ccc(cc1C)OC 271570a_100000694244_100000759875 [0,2,0,0,0,0|2,0,0]=4 4505 B12R1.452 C=C(C)c1ccc(cc1Cl)CO 271570a_100000694244_100000718186 [0,2,0,0,0,0|2,0,0]=4 4506 B12R1.452 C=C(C)c1ccc(cc1F)C=O 271570a_100000694244_100000686674 [0,2,0,0,0,0|0,0,1]=3 4507 B12R1.452 C=C(C)c1ccc(cc1F)CC 271570a_100000694244_200010339503 [0,2,0,0,0,0|1,0,0]=3 4508 B12R1.452 C=C(C)c1ccc(cc1F)CN 271570a_100000694244_100000755036 [0,2,0,0,0,0|2,0,0]=4 4509 B12R1.452 C=C(C)c1ccc(cc1F)CO 271570a_100000694244_100011533735 [0,2,0,0,0,0|2,0,0]=4 4510 B12R1.452 C=C(C)c1ccc(cc1F)NC 271570a_100000694244_100012285320 [0,2,0,0,0,0|2,0,0]=4 4511 B12R1.452 C=C(C)c1ccc(cc1F)OC 271570a_100000694244_100000753793 [0,2,0,0,0,0|2,0,0]=4 4512 B12R1.452 C=C(C)c1ccc(cc1F)SC 271570a_100000694244_100009816902 [0,2,0,0,0,0|2,0,0]=4 4513 B12R1.452 C=C(C)c1ccc(cc1N)CO 271570a_100000694244_100012347568 [0,2,0,0,0,0|2,0,0]=4 4514 B12R1.452 C=C(C)c1ccc(cc1N)OC 271570a_100000694244_100000748021 [0,2,0,0,0,0|2,0,0]=4 4515 B12R1.452 C=C(C)c1ccc(cc1O)C=O 271570a_100000694244_100000041418 [0,2,0,0,0,0|0,0,1]=3 4516 B12R1.452 C=C(C)c1ccc(cc1O)CO 271570a_100000694244_100000049605 [0,2,0,0,0,0|2,0,0]=4 4517 B12R1.452 C=C(C)c1ccc(cc1O)OC 271570a_100000694244_100000719091 [0,2,0,0,0,0|2,0,0]=4 4518 B12R1.452 C=C(C)c1ccc(nc1C)C=O 271570a_100000694244_100010238520 [0,2,0,0,0,0|1,0,1]=4 4519 B12R1.452 C=C(C)c1cnc(cc1C)C=O 271570a_100000694244_100009814806 [0,2,0,0,0,0|1,0,1]=4 4520 B12R1.452 C=C(C)c1ncc(cc1C)C=O 271570a_100000694244_100000070293 [0,2,0,0,0,0|1,0,1]=4 4521 B12R1.452 C=C(C)c1ncc(cc1F)C=O 271570a_100000694244_100009866847 [0,2,0,0,0,0|1,0,1]=4 4522 B12R1.452 C=Cc1ccc(c(c1)Br)C(=O)N 271570a_100011290941_200010146565 [0,2,0,0,0,0|0,0,2]=4 4523 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,2,0,0,0,0|0,0,2]=4 4524 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)N 271570a_100011290941_100011327924 [0,2,0,0,0,0|0,0,2]=4 4525 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [0,2,0,0,0,0|0,0,2]=4 4526 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)N 271570a_100011290941_100000216903 [0,2,0,0,0,0|0,0,2]=4 4527 B12R1.452 C=Cc1ccc(c(c1)F)C(C)N 271570a_100011290941_100000730447 [0,2,0,0,0,0|1,0,0]=3 4528 B12R1.452 C=Cc1ccc(c(c1)F)C(F)F 271570a_100011290941_100010169825 [0,2,0,0,0,0|2,0,0]=4 4529 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [0,2,0,0,0,0|0,0,2]=4 4530 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)N 271570a_100011290941_100012349972 [0,2,0,0,0,0|0,0,2]=4 4531 B12R1.452 C=Cc1ccc(c(c1)N)N(C)C 271570a_100011290941_100000737018 [0,2,0,0,0,0|2,0,0]=4 4532 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [0,2,0,0,0,0|0,0,2]=4 4533 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)N 271570a_100011290941_100011550861 [0,2,0,0,0,0|0,0,2]=4 4534 B12R1.452 CC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200000210301 [0,2,0,0,0,0|1,0,1]=4 4535 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,2,0,0,0,0|1,0,0]=3 4536 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,2,0,0,0,0|1,0,0]=3 4537 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,2,0,0,0,0|1,0,1]=4 4538 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,2,0,0,0,0|1,0,0]=3 4539 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,2,0,0,0,0|1,0,0]=3 4540 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,2,0,0,0,0|1,0,0]=3 4541 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,2,0,0,0,0|1,0,0]=3 4542 B12R1.452 CC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200000210301 [0,2,0,0,0,0|1,0,1]=4 4543 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,2,0,0,0,0|1,0,0]=3 4544 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,2,0,0,0,0|1,0,0]=3 4545 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,2,0,0,0,0|1,0,0]=3 4546 B12R1.452 CC(=O)c1ccc(cc1F)C#N 1458a_100000238375_200000210301 [0,2,0,0,0,0|1,0,1]=4 4547 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,2,0,0,0,0|1,0,0]=3 4548 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,2,0,0,0,0|1,0,0]=3 4549 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,2,0,0,0,0|1,0,0]=3 4550 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [0,2,0,0,0,0|1,0,0]=3 4551 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [0,2,0,0,0,0|1,0,0]=3 4552 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_100000696590_200025704644 [0,2,0,0,0,0|2,0,0]=4 4553 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_200025704644_100000696590 [0,2,0,0,0,0|2,0,0]=4 4554 B12R1.452 CC(N)c1ccc(cc1F)S[13CH3] 62a_100000730447_200025704644 [0,2,0,0,0,0|2,0,0]=4 4555 B12R1.452 CC(N)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000730447 [0,2,0,0,0,0|2,0,0]=4 4556 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [0,2,0,0,0,0|0,0,0]=2 4557 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [0,2,0,0,0,0|0,0,0]=2 4558 B12R1.452 CN(C)c1ccc(cc1O)C=O 271570a_203496583355_200011298039 [0,2,0,0,0,0|1,0,0]=3 4559 B12R1.452 CNc1cc(c(cn1)C(=O)N)C 27a_100102657272_200134614278 [0,2,0,0,0,0|2,0,0]=4 4560 B12R1.452 CNc1ccc(c(c1)Br)C(=O)N 27a_100102657272_200010146565 [0,2,0,0,0,0|1,0,0]=3 4561 B12R1.452 CNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200000210301 [0,2,0,0,0,0|2,0,0]=4 4562 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [0,2,0,0,0,0|1,0,0]=3 4563 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [0,2,0,0,0,0|1,0,0]=3 4564 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [0,2,0,0,0,0|1,0,0]=3 4565 B12R1.452 CNc1ccc(c(c1)C)C(C)C 2230a_100000005830_200000210301 [0,2,0,0,0,0|2,0,0]=4 4566 B12R1.452 CNc1ccc(c(c1)C)C(C)C 34a_100000005830_200000210301 [0,2,0,0,0,0|2,0,0]=4 4567 B12R1.452 CNc1ccc(c(c1)C)C(C)C 7a_100000005830_200000210301 [0,2,0,0,0,0|2,0,0]=4 4568 B12R1.452 CNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_200000210301 [0,2,0,0,0,0|2,0,0]=4 4569 B12R1.452 CNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_200000210301 [0,2,0,0,0,0|2,0,0]=4 4570 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200000210301 [0,2,0,0,0,0|1,0,0]=3 4571 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200000210301 [0,2,0,0,0,0|1,0,0]=3 4572 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [0,2,0,0,0,0|1,0,0]=3 4573 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 27a_100102657272_100000216903 [0,2,0,0,0,0|1,0,0]=3 4574 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 34a_100000749959_200000210301 [0,2,0,0,0,0|1,0,0]=3 4575 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 7a_100000749959_200000210301 [0,2,0,0,0,0|1,0,0]=3 4576 B12R1.452 CNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_200000210301 [0,2,0,0,0,0|2,0,0]=4 4577 B12R1.452 CNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200000210301 [0,2,0,0,0,0|2,0,0]=4 4578 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 34a_100000223280_200000210301 [0,2,0,0,0,0|1,0,0]=3 4579 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 7a_100000223280_200000210301 [0,2,0,0,0,0|1,0,0]=3 4580 B12R1.452 CNc1ccc(c(n1)N)C(=O)N 27a_100102657272_100009875182 [0,2,0,0,0,0|2,0,0]=4 4581 B12R1.452 CNc1cnc(c(c1)F)C(=O)N 27a_100102657272_200010161073 [0,2,0,0,0,0|2,0,0]=4 4582 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,2,0,0,0,0|1,0,0]=3 4583 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,2,0,0,0,0|1,0,0]=3 4584 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,2,0,0,0,0|1,0,0]=3 4585 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,2,0,0,0,0|1,0,0]=3 4586 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200000210301 [0,2,0,0,0,0|2,0,0]=4 4587 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200000210301 [0,2,0,0,0,0|2,0,0]=4 4588 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,2,0,0,0,0|1,0,0]=3 4589 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,2,0,0,0,0|1,0,0]=3 4590 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,2,0,0,0,0|1,0,0]=3 4591 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,2,0,0,0,0|1,0,0]=3 4592 B12R1.452 COc1ccc(c(c1)C)C(C)C 34a_100000210824_200000210301 [0,2,0,0,0,0|2,0,0]=4 4593 B12R1.452 COc1ccc(c(c1)C)C(C)C 7a_100000210824_200000210301 [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_200000210301 [0,2,0,0,0,0|2,0,0]=4 4595 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_200000210301 [0,2,0,0,0,0|2,0,0]=4 4596 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,2,0,0,0,0|1,0,0]=3 4597 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,2,0,0,0,0|1,0,0]=3 4598 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,2,0,0,0,0|1,0,0]=3 4599 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [0,2,0,0,0,0|1,0,0]=3 4600 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [0,2,0,0,0,0|1,0,0]=3 4601 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,2,0,0,0,0|1,0,0]=3 4602 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200000210301 [0,2,0,0,0,0|2,0,0]=4 4603 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200000210301 [0,2,0,0,0,0|2,0,0]=4 4604 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,2,0,0,0,0|1,0,0]=3 4605 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,2,0,0,0,0|1,0,0]=3 4606 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,2,0,0,0,0|1,0,0]=3 4607 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [0,2,0,0,0,0|1,0,0]=3 4608 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [0,2,0,0,0,0|1,0,0]=3 4609 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,2,0,0,0,0|1,0,0]=3 4610 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200000210301 [0,2,0,0,0,0|2,0,0]=4 4611 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,2,0,0,0,0|1,0,0]=3 4612 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,2,0,0,0,0|1,0,0]=3 4613 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200000210301 [0,2,0,0,0,0|2,0,0]=4 4614 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [0,2,0,0,0,0|1,0,0]=3 4615 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [0,2,0,0,0,0|1,0,0]=3 4616 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200000210301 [0,2,0,0,0,0|2,0,0]=4 4617 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,2,0,0,0,0|1,0,0]=3 4618 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,2,0,0,0,0|1,0,0]=3 4619 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [0,2,0,0,0,0|1,0,0]=3 4620 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,2,0,0,0,0|1,0,0]=3 4621 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [0,2,0,0,0,0|2,0,0]=4 4622 B12R1.452 CSc1cc(c(cn1)C(=O)N)C 62a_200000210301_200134614278 [0,2,0,0,0,0|2,0,0]=4 4623 B12R1.452 CSc1cc(c(cn1)C(=O)N)C 62a_200134614278_200000210301 [0,2,0,0,0,0|2,0,0]=4 4624 B12R1.452 CSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200000210301 [0,2,0,0,0,0|1,0,0]=3 4625 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,2,0,0,0,0|1,0,0]=3 4626 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,2,0,0,0,0|1,0,0]=3 4627 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,2,0,0,0,0|1,0,0]=3 4628 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [0,2,0,0,0,0|1,0,0]=3 4629 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [0,2,0,0,0,0|1,0,0]=3 4630 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,2,0,0,0,0|1,0,0]=3 4631 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [0,2,0,0,0,0|1,0,0]=3 4632 B12R1.452 CSc1ccc(c(c1)F)C(=O)N 62a_100000216903_200000210301 [0,2,0,0,0,0|1,0,0]=3 4633 B12R1.452 CSc1ccc(c(c1)F)C(C)N 62a_100000730447_200000210301 [0,2,0,0,0,0|2,0,0]=4 4634 B12R1.452 CSc1ccc(c(c1)F)C(C)N 62a_200000210301_100000730447 [0,2,0,0,0,0|2,0,0]=4 4635 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [0,2,0,0,0,0|1,0,0]=3 4636 B12R1.452 CSc1ccc(c(c1)N)C(=O)N 62a_100012349972_200000210301 [0,2,0,0,0,0|1,0,0]=3 4637 B12R1.452 CSc1ccc(c(c1)O)C(=O)N 62a_100011550861_200000210301 [0,2,0,0,0,0|1,0,0]=3 4638 B12R1.452 CSc1ccc(c(n1)N)C(=O)N 62a_100009875182_200000210301 [0,2,0,0,0,0|2,0,0]=4 4639 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_100000696590_200000210301 [0,2,0,0,0,0|2,0,0]=4 4640 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_200000210301_100000696590 [0,2,0,0,0,0|2,0,0]=4 4641 B12R1.452 CSc1cnc(c(c1)F)C(=O)N 62a_200000210301_200010161073 [0,2,0,0,0,0|2,0,0]=4 4642 B12R1.452 CSc1cnc(c(c1)F)C(=O)N 62a_200010161073_200000210301 [0,2,0,0,0,0|2,0,0]=4 4643 B12R1.452 CSc1cnc(c(c1)N)C(=O)N 62a_100010235749_200000210301 [0,2,0,0,0,0|2,0,0]=4 4644 B12R1.452 CSc1cnc(c(c1)N)C(=O)N 62a_200000210301_100010235749 [0,2,0,0,0,0|2,0,0]=4 4645 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [0,2,0,0,0,0|1,0,0]=3 4646 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [0,2,0,0,0,0|1,0,0]=3 4647 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [0,2,0,0,0,0|1,0,0]=3 4648 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [0,2,0,0,0,0|1,0,0]=3 4649 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,2,0,0,0,0|1,0,1]=4 4650 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 2230a_100000005830_200025704644 [0,2,0,0,0,0|2,0,0]=4 4651 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 34a_100000005830_200025704644 [0,2,0,0,0,0|2,0,0]=4 4652 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 7a_100000005830_200025704644 [0,2,0,0,0,0|2,0,0]=4 4653 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 34a_100000210824_200025704644 [0,2,0,0,0,0|2,0,0]=4 4654 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 7a_100000210824_200025704644 [0,2,0,0,0,0|2,0,0]=4 4655 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])N[13CH3] 34a_100000745639_200025704644 [0,2,0,0,0,0|2,0,0]=4 4656 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])N[13CH3] 7a_100000745639_200025704644 [0,2,0,0,0,0|2,0,0]=4 4657 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 34a_100000195451_200025704644 [0,2,0,0,0,0|2,0,0]=4 4658 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 7a_100000195451_200025704644 [0,2,0,0,0,0|2,0,0]=4 4659 B12R1.452 Cc1cc(ncc1C(=O)N)S[13CH3] 62a_200025704644_200134614278 [0,2,0,0,0,0|2,0,0]=4 4660 B12R1.452 Cc1cc(ncc1C(=O)N)S[13CH3] 62a_200134614278_200025704644 [0,2,0,0,0,0|2,0,0]=4 4661 B12R1.452 [13CH3]C(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200025704644 [0,2,0,0,0,0|1,0,1]=4 4662 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200025704644 [0,2,0,0,0,0|1,0,1]=4 4663 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,2,0,0,0,0|1,0,0]=3 4664 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)C#N 1458a_100000238375_200025704644 [0,2,0,0,0,0|1,0,1]=4 4665 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,2,0,0,0,0|1,0,0]=3 4666 B12R1.452 [13CH3]Nc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200025704644 [0,2,0,0,0,0|2,0,0]=4 4667 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200025704644 [0,2,0,0,0,0|1,0,0]=3 4668 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200025704644 [0,2,0,0,0,0|1,0,0]=3 4669 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_200025704644 [0,2,0,0,0,0|1,0,0]=3 4670 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_200025704644 [0,2,0,0,0,0|1,0,0]=3 4671 B12R1.452 [13CH3]Nc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_200025704644 [0,2,0,0,0,0|2,0,0]=4 4672 B12R1.452 [13CH3]Nc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200025704644 [0,2,0,0,0,0|2,0,0]=4 4673 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_200025704644 [0,2,0,0,0,0|1,0,0]=3 4674 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_200025704644 [0,2,0,0,0,0|1,0,0]=3 4675 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200025704644 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200025704644 [0,2,0,0,0,0|2,0,0]=4 4677 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [0,2,0,0,0,0|1,0,0]=3 4678 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [0,2,0,0,0,0|1,0,0]=3 4679 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200025704644 [0,2,0,0,0,0|2,0,0]=4 4680 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200025704644 [0,2,0,0,0,0|2,0,0]=4 4681 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [0,2,0,0,0,0|1,0,0]=3 4682 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [0,2,0,0,0,0|1,0,0]=3 4683 B12R1.452 [13CH3]Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200025704644 [0,2,0,0,0,0|2,0,0]=4 4684 B12R1.452 [13CH3]Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200025704644 [0,2,0,0,0,0|2,0,0]=4 4685 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [0,2,0,0,0,0|1,0,0]=3 4686 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [0,2,0,0,0,0|1,0,0]=3 4687 B12R1.452 [13CH3]Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200025704644 [0,2,0,0,0,0|2,0,0]=4 4688 B12R1.452 [13CH3]Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200025704644 [0,2,0,0,0,0|1,0,0]=3 4689 B12R1.452 [13CH3]Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_200025704644 [0,2,0,0,0,0|1,0,0]=3 4690 B12R1.452 [13CH3]Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_200025704644 [0,2,0,0,0,0|1,0,0]=3 4691 B12R1.452 [13CH3]Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_200025704644 [0,2,0,0,0,0|1,0,0]=3 4692 B12R1.452 [13CH3]Sc1ccc(c(n1)N)C(=O)N 62a_100009875182_200025704644 [0,2,0,0,0,0|2,0,0]=4 4693 B12R1.452 [13CH3]Sc1cnc(c(c1)F)C(=O)N 62a_200010161073_200025704644 [0,2,0,0,0,0|2,0,0]=4 4694 B12R1.452 [13CH3]Sc1cnc(c(c1)F)C(=O)N 62a_200025704644_200010161073 [0,2,0,0,0,0|2,0,0]=4 4695 B12R1.452 [13CH3]Sc1cnc(c(c1)N)C(=O)N 62a_100010235749_200025704644 [0,2,0,0,0,0|2,0,0]=4 4696 B12R1.452 [13CH3]Sc1cnc(c(c1)N)C(=O)N 62a_200025704644_100010235749 [0,2,0,0,0,0|2,0,0]=4 4697 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,2,0,0,0,0|0,0,2]=4 4698 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,2,0,0,0,0|0,0,2]=4 4699 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,2,0,0,0,0|0,0,2]=4 4700 B12R1.4 C#Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000140223 [0,2,0,0,0,0|1,0,1]=4 4701 B12R1.4 C#Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000140223 [0,2,0,0,0,0|1,0,1]=4 4702 B12R1.4 C#Cc1ccc(cc1)CN(C)C 270004a_100102631434_100011361452 [0,2,0,0,0,0|1,0,1]=4 4703 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 11a_100011215031_100015343762 [0,2,0,0,0,0|0,0,2]=4 4704 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1626a_100011215031_100015343762 [0,2,0,0,0,0|0,0,2]=4 4705 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 22a_100011215031_100000070787 [0,2,0,0,0,0|0,0,2]=4 4706 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 527a_100011215031_100103153847 [0,2,0,0,0,0|0,0,2]=4 4707 B12R1.4 C#Cc1ccc(cc1)NC(C)C 34a_100011215031_100000210206 [0,2,0,0,0,0|1,0,1]=4 4708 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,2,0,0,0,0|1,0,0]=3 4709 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,2,0,0,0,0|1,0,0]=3 4710 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,2,0,0,0,0|0,0,2]=4 4711 B12R1.4 C=Cc1ccc(cc1)CC(C)C 271570a_100011290941_100011221366 [0,2,0,0,0,0|1,0,0]=3 4712 B12R1.4 C=Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000034074 [0,2,0,0,0,0|1,0,0]=3 4713 B12R1.4 C=Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000034074 [0,2,0,0,0,0|1,0,0]=3 4714 B12R1.4 C=Cc1ccc(cc1)CN(C)C 270004a_100102631434_100011361436 [0,2,0,0,0,0|1,0,0]=3 4715 B12R1.4 C=Cc1ccc(cc1)CN(C)C 271570a_100011290941_100000174694 [0,2,0,0,0,0|1,0,0]=3 4716 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [0,2,0,0,0,0|0,0,2]=4 4717 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [0,2,0,0,0,0|0,0,2]=4 4718 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [0,2,0,0,0,0|0,0,2]=4 4719 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [0,2,0,0,0,0|0,0,2]=4 4720 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [0,2,0,0,0,0|0,0,2]=4 4721 B12R1.4 C=Cc1ccc(cc1)NC(=O)N 271570a_100011290941_100000198584 [0,2,0,0,0,0|0,0,2]=4 4722 B12R1.4 C=Cc1ccc(cc1)NC(C)C 271570a_100011290941_100000219625 [0,2,0,0,0,0|1,0,0]=3 4723 B12R1.4 C=Cc1ccc(cc1)NC(C)C 34a_100011218248_100000210206 [0,2,0,0,0,0|1,0,0]=3 4724 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [0,2,0,0,0,0|0,0,2]=4 4725 B12R1.4 C=Cc1ccc(cc1)OC(=S)C 271570a_100011290941_200009816735 [0,2,0,0,0,0|1,0,1]=4 4726 B12R1.4 C=Cc1ccc(cc1)OC(C)C 271570a_100011290941_100000169947 [0,2,0,0,0,0|1,0,0]=3 4727 B12R1.4 C=Cc1ccc(cc1)OC(C)C 34a_100000189437_100000210206 [0,2,0,0,0,0|1,0,0]=3 4728 B12R1.4 C=Cc1ccc(cc1)OC(C)C 7a_100000189437_100000210206 [0,2,0,0,0,0|1,0,0]=3 4729 B12R1.4 C=Cc1ccc(cc1)OC(F)F 271570a_100011290941_100000179047 [0,2,0,0,0,0|2,0,0]=4 4730 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [0,2,0,0,0,0|0,0,2]=4 4731 B12R1.4 C=Cc1ccc(cc1)SC(C)C 271570a_100011290941_100009811894 [0,2,0,0,0,0|1,0,0]=3 4732 B12R1.4 C=Cc1ccc(cc1)SC(C)C 62a_100000210206_100000748128 [0,2,0,0,0,0|1,0,0]=3 4733 B12R1.4 C=Cc1ccc(cc1)SC(C)C 62a_100000748128_100000210206 [0,2,0,0,0,0|1,0,0]=3 4734 B12R1.4 C=Cc1ccc(cc1)SC(F)F 271570a_100011290941_100000178776 [0,2,0,0,0,0|2,0,0]=4 4735 B12R1.4 C=Cc1ccc(cn1)CN(C)C 271570a_100011290941_106446545466 [0,2,0,0,0,0|2,0,0]=4 4736 B12R1.4 C=Cc1ccc(cn1)OC(C)C 271570a_100011290941_100012354243 [0,2,0,0,0,0|2,0,0]=4 4737 B12R1.4 C=Cc1ccc(nc1)OC(C)C 271570a_100011290941_100000688564 [0,2,0,0,0,0|2,0,0]=4 4738 B12R1.4 C=Cc1ccc(nc1)SC(C)C 62a_100000210206_103436540071 [0,2,0,0,0,0|2,0,0]=4 4739 B12R1.4 C=Cc1ccc(nc1)SC(C)C 62a_103436540071_100000210206 [0,2,0,0,0,0|2,0,0]=4 4740 B12R1.4 CC(=Cc1ccc(cc1)C=O)C 271570a_100102525489_100000186029 [0,2,0,0,0,0|0,0,1]=3 4741 B12R1.4 CC(=Cc1ccc(cc1)CF)C 271570a_100102525489_100010268989 [0,2,0,0,0,0|2,0,0]=4 4742 B12R1.4 CC(=Cc1ccc(cc1)CN)C 271570a_100102525489_100016989417 [0,2,0,0,0,0|2,0,0]=4 4743 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [0,2,0,0,0,0|2,0,0]=4 4744 B12R1.4 CC(=Cc1ccc(cn1)C=O)C 271570a_100102525489_100000766901 [0,2,0,0,0,0|1,0,1]=4 4745 B12R1.4 CC(=Cc1ccc(nc1)C=O)C 271570a_100102525489_100000754260 [0,2,0,0,0,0|1,0,1]=4 4746 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,2,0,0,0,0|1,0,1]=4 4747 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,2,0,0,0,0|1,0,1]=4 4748 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,2,0,0,0,0|0,0,0]=2 4749 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,2,0,0,0,0|1,0,0]=3 4750 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,2,0,0,0,0|1,0,0]=3 4751 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,2,0,0,0,0|1,0,0]=3 4752 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,2,0,0,0,0|1,0,0]=3 4753 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,2,0,0,0,0|1,0,0]=3 4754 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,2,0,0,0,0|1,0,0]=3 4755 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100015343762 [0,2,0,0,0,0|1,0,1]=4 4756 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100015343762 [0,2,0,0,0,0|1,0,1]=4 4757 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,2,0,0,0,0|1,0,0]=3 4758 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,2,0,0,0,0|1,0,0]=3 4759 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,2,0,0,0,0|1,0,0]=3 4760 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,2,0,0,0,0|1,0,0]=3 4761 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,2,0,0,0,0|1,0,0]=3 4762 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [0,2,0,0,0,0|2,0,0]=4 4763 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [0,2,0,0,0,0|2,0,0]=4 4764 B12R1.4 CC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000193312 [0,2,0,0,0,0|2,0,0]=4 4765 B12R1.4 CC(=O)Nc1ccc(nc1)S[13CH3] 62a_200025704644_100011934715 [0,2,0,0,0,0|2,0,0]=4 4766 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,2,0,0,0,0|1,0,0]=3 4767 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,2,0,0,0,0|1,0,0]=3 4768 B12R1.4 CC(=S)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009816735 [0,2,0,0,0,0|1,1,0]=4 4769 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 2230a_100000687309_200025704644 [0,2,0,0,0,0|2,0,0]=4 4770 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 34a_100000687309_200025704644 [0,2,0,0,0,0|2,0,0]=4 4771 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_100011221366_200025704644 [0,2,0,0,0,0|2,0,0]=4 4772 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100011221366 [0,2,0,0,0,0|2,0,0]=4 4773 B12R1.4 CC(C)Nc1ccc(cc1)C#N 34a_100000185469_100000210206 [0,2,0,0,0,0|1,0,1]=4 4774 B12R1.4 CC(C)Nc1ccc(cc1)CO 2230a_100011215238_100000210206 [0,2,0,0,0,0|0,0,2]=4 4775 B12R1.4 CC(C)Nc1ccc(cc1)CO 34a_100011215238_100000210206 [0,2,0,0,0,0|0,0,2]=4 4776 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_100000219625_200025704644 [0,2,0,0,0,0|2,0,0]=4 4777 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000219625 [0,2,0,0,0,0|2,0,0]=4 4778 B12R1.4 CC(C)Nc1cnc(cn1)C=O 27a_100138425928_100012001714 [0,2,0,0,0,0|2,0,0]=4 4779 B12R1.4 CC(C)Nc1ncc(cn1)C=O 27a_100138425928_100000070856 [0,2,0,0,0,0|2,0,0]=4 4780 B12R1.4 CC(C)Oc1ccc(cc1)C#N 34a_100000210344_100000210206 [0,2,0,0,0,0|1,0,1]=4 4781 B12R1.4 CC(C)Oc1ccc(cc1)C#N 7a_100000210344_100000210206 [0,2,0,0,0,0|1,0,1]=4 4782 B12R1.4 CC(C)Oc1ccc(cc1)CN 34a_100000185549_100000210206 [0,2,0,0,0,0|1,0,1]=4 4783 B12R1.4 CC(C)Oc1ccc(cc1)CO 34a_100000211755_100000210206 [0,2,0,0,0,0|0,0,2]=4 4784 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 2230a_100011194259_200025704644 [0,2,0,0,0,0|2,0,0]=4 4785 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 34a_100011194259_200025704644 [0,2,0,0,0,0|2,0,0]=4 4786 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 34a_100000757185_200025704644 [0,2,0,0,0,0|2,0,0]=4 4787 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 7a_100000757185_200025704644 [0,2,0,0,0,0|2,0,0]=4 4788 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_100000169947_200025704644 [0,2,0,0,0,0|2,0,0]=4 4789 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000169947 [0,2,0,0,0,0|2,0,0]=4 4790 B12R1.4 CC(C)Sc1ccc(cc1)C#N 62a_100000210206_100000184291 [0,2,0,0,0,0|1,0,1]=4 4791 B12R1.4 CC(C)Sc1ccc(cc1)C=O 62a_100000188517_100000210206 [0,2,0,0,0,0|0,0,0]=2 4792 B12R1.4 CC(C)Sc1ccc(cc1)C=O 62a_100000210206_100000188517 [0,2,0,0,0,0|0,0,0]=2 4793 B12R1.4 CC(C)Sc1ccc(cc1)CF 62a_100000210206_100010268989 [0,2,0,0,0,0|1,0,1]=4 4794 B12R1.4 CC(C)Sc1ccc(cc1)CF 62a_100010268989_100000210206 [0,2,0,0,0,0|1,0,1]=4 4795 B12R1.4 CC(C)Sc1ccc(cc1)CN 62a_100000210206_100016989417 [0,2,0,0,0,0|1,0,1]=4 4796 B12R1.4 CC(C)Sc1ccc(cc1)CN 62a_100016989417_100000210206 [0,2,0,0,0,0|1,0,1]=4 4797 B12R1.4 CC(C)Sc1ccc(cc1)CO 62a_100000210206_100000690907 [0,2,0,0,0,0|0,0,2]=4 4798 B12R1.4 CC(C)Sc1ccc(cc1)CO 62a_100000690907_100000210206 [0,2,0,0,0,0|0,0,2]=4 4799 B12R1.4 CC(C)Sc1ccc(cc1)NN 62a_100000210206_100016988836 [0,2,0,0,0,0|2,0,0]=4 4800 B12R1.4 CC(C)Sc1ccc(cc1)NN 62a_100016988836_100000210206 [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_100009811894_200025704644 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_200025704644_100009811894 [0,2,0,0,0,0|2,0,0]=4 4803 B12R1.4 CC(C)Sc1ccc(cn1)C=O 62a_100000210206_100000766901 [0,2,0,0,0,0|1,0,0]=3 4804 B12R1.4 CC(C)Sc1ccc(cn1)C=O 62a_100000766901_100000210206 [0,2,0,0,0,0|1,0,0]=3 4805 B12R1.4 CC(C)Sc1ccc(nc1)C=O 62a_100000210206_100000754260 [0,2,0,0,0,0|1,0,0]=3 4806 B12R1.4 CC(C)Sc1ccc(nc1)C=O 62a_100000754260_100000210206 [0,2,0,0,0,0|1,0,0]=3 4807 B12R1.4 CC(C)Sc1ccc(nn1)C=O 62a_100000044651_100000210206 [0,2,0,0,0,0|2,0,0]=4 4808 B12R1.4 CC(C)Sc1ccc(nn1)C=O 62a_100000210206_100000044651 [0,2,0,0,0,0|2,0,0]=4 4809 B12R1.4 CC(C)Sc1cnc(cn1)C=O 62a_100000210206_100012001714 [0,2,0,0,0,0|2,0,0]=4 4810 B12R1.4 CC(C)Sc1cnc(cn1)C=O 62a_100012001714_100000210206 [0,2,0,0,0,0|2,0,0]=4 4811 B12R1.4 CC(C)Sc1ncc(cn1)C=O 62a_100000070856_100000210206 [0,2,0,0,0,0|2,0,0]=4 4812 B12R1.4 CC(C)Sc1ncc(cn1)C=O 62a_100000210206_100000070856 [0,2,0,0,0,0|2,0,0]=4 4813 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [0,2,0,0,0,0|2,0,0]=4 4814 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [0,2,0,0,0,0|1,0,0]=3 4815 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,2,0,0,0,0|0,0,0]=2 4816 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,2,0,0,0,0|0,0,0]=2 4817 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,2,0,0,0,0|0,0,0]=2 4818 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100000683253_200000210301 [0,2,0,0,0,0|1,0,1]=4 4819 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100102631434_100000747183 [0,2,0,0,0,0|1,0,1]=4 4820 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100000683253_200000210301 [0,2,0,0,0,0|1,0,1]=4 4821 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100102631434_100000747183 [0,2,0,0,0,0|1,0,1]=4 4822 B12R1.4 CCc1ccc(cc1)CN(C)C 270004a_100102631434_100000211036 [0,2,0,0,0,0|1,0,1]=4 4823 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 2230a_100000683253_200025704644 [0,2,0,0,0,0|1,0,1]=4 4824 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 269982a_100000683253_200025704644 [0,2,0,0,0,0|1,0,1]=4 4825 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,2,0,0,0,0|0,0,0]=2 4826 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,2,0,0,0,0|0,0,0]=2 4827 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,2,0,0,0,0|0,0,0]=2 4828 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,2,0,0,0,0|0,0,0]=2 4829 B12R1.4 CCc1ccc(cc1)NC(C)C 2230a_100000211069_100000210206 [0,2,0,0,0,0|1,0,1]=4 4830 B12R1.4 CCc1ccc(cc1)NC(C)C 34a_100000211069_100000210206 [0,2,0,0,0,0|1,0,1]=4 4831 B12R1.4 CCc1ccc(cc1)OC(C)C 34a_100000211359_100000210206 [0,2,0,0,0,0|1,0,1]=4 4832 B12R1.4 CCc1ccc(cc1)OC(C)C 7a_100000211359_100000210206 [0,2,0,0,0,0|1,0,1]=4 4833 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100000210206_100011215824 [0,2,0,0,0,0|1,0,1]=4 4834 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100011215824_100000210206 [0,2,0,0,0,0|1,0,1]=4 4835 B12R1.4 CCc1ccc(cn1)C=C(C)C 271570a_100102525489_100009820025 [0,2,0,0,0,0|2,0,0]=4 4836 B12R1.4 CCc1ccc(nc1)C=C(C)C 271570a_100102525489_100009843584 [0,2,0,0,0,0|2,0,0]=4 4837 B12R1.4 CN(C)Cc1ccc(cc1)C#N 2230a_100000217971_200000210301 [0,2,0,0,0,0|1,0,1]=4 4838 B12R1.4 CN(C)Cc1ccc(cc1)C#N 2230a_100102631434_100000184898 [0,2,0,0,0,0|1,0,1]=4 4839 B12R1.4 CN(C)Cc1ccc(cc1)C#N 269982a_100000217971_200000210301 [0,2,0,0,0,0|1,0,1]=4 4840 B12R1.4 CN(C)Cc1ccc(cc1)C#N 269982a_100102631434_100000184898 [0,2,0,0,0,0|1,0,1]=4 4841 B12R1.4 CN(C)Cc1ccc(cc1)C#N 270004a_100102631434_100000211122 [0,2,0,0,0,0|1,0,1]=4 4842 B12R1.4 CN(C)Cc1ccc(cc1)C#N 34a_100000217971_200000210301 [0,2,0,0,0,0|1,0,1]=4 4843 B12R1.4 CN(C)Cc1ccc(cc1)C=O 2230a_100102631434_100009816848 [0,2,0,0,0,0|0,0,0]=2 4844 B12R1.4 CN(C)Cc1ccc(cc1)C=O 269982a_100102631434_100009816848 [0,2,0,0,0,0|0,0,0]=2 4845 B12R1.4 CN(C)Cc1ccc(cc1)CO 2230a_100102631434_100000067286 [0,2,0,0,0,0|0,0,2]=4 4846 B12R1.4 CN(C)Cc1ccc(cc1)CO 269982a_100102631434_100000067286 [0,2,0,0,0,0|0,0,2]=4 4847 B12R1.4 CN(C)Cc1ccc(cc1)CO 270004a_100102631434_100009832023 [0,2,0,0,0,0|0,0,2]=4 4848 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_100000174694_200025704644 [0,2,0,0,0,0|2,0,0]=4 4849 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000174694 [0,2,0,0,0,0|2,0,0]=4 4850 B12R1.4 CN([13CH3])Cc1ccc(cc1)C#N 2230a_100000217971_200025704644 [0,2,0,0,0,0|1,0,1]=4 4851 B12R1.4 CN([13CH3])Cc1ccc(cc1)C#N 269982a_100000217971_200025704644 [0,2,0,0,0,0|1,0,1]=4 4852 B12R1.4 CN([13CH3])Cc1ccc(cc1)C#N 34a_100000217971_200025704644 [0,2,0,0,0,0|1,0,1]=4 4853 B12R1.4 CNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219623 [0,2,0,0,0,0|2,0,0]=4 4854 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,2,0,0,0,0|1,0,0]=3 4855 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,2,0,0,0,0|1,0,0]=3 4856 B12R1.4 CNc1ccc(cc1)CC(C)C 2230a_100000687309_200000210301 [0,2,0,0,0,0|2,0,0]=4 4857 B12R1.4 CNc1ccc(cc1)CC(C)C 34a_100000687309_200000210301 [0,2,0,0,0,0|2,0,0]=4 4858 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,2,0,0,0,0|1,0,0]=3 4859 B12R1.4 CNc1ccc(cc1)OC(C)C 2230a_100011194259_200000210301 [0,2,0,0,0,0|2,0,0]=4 4860 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100000182112_100000210206 [0,2,0,0,0,0|2,0,0]=4 4861 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100011194259_200000210301 [0,2,0,0,0,0|2,0,0]=4 4862 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000210206_100000743151 [0,2,0,0,0,0|2,0,0]=4 4863 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000743151_100000210206 [0,2,0,0,0,0|2,0,0]=4 4864 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,2,0,0,0,0|2,0,0]=4 4865 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,2,0,0,0,0|1,0,0]=3 4866 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,2,0,0,0,0|1,0,0]=3 4867 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,2,0,0,0,0|1,0,0]=3 4868 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,2,0,0,0,0|1,0,0]=3 4869 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,2,0,0,0,0|1,0,0]=3 4870 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [0,2,0,0,0,0|2,0,0]=4 4871 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [0,2,0,0,0,0|2,0,0]=4 4872 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [0,2,0,0,0,0|2,0,0]=4 4873 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [0,2,0,0,0,0|2,0,0]=4 4874 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [0,2,0,0,0,0|2,0,0]=4 4875 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [0,2,0,0,0,0|2,0,0]=4 4876 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [0,2,0,0,0,0|2,0,0]=4 4877 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [0,2,0,0,0,0|2,0,0]=4 4878 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,2,0,0,0,0|1,0,0]=3 4879 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,2,0,0,0,0|1,0,0]=3 4880 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,2,0,0,0,0|1,0,0]=3 4881 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,2,0,0,0,0|1,0,0]=3 4882 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,2,0,0,0,0|1,0,0]=3 4883 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,2,0,0,0,0|1,0,0]=3 4884 B12R1.4 COc1ccc(cc1)NC(C)C 34a_100000184247_100000210206 [0,2,0,0,0,0|2,0,0]=4 4885 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000210503_100000210206 [0,2,0,0,0,0|2,0,0]=4 4886 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000757185_200000210301 [0,2,0,0,0,0|2,0,0]=4 4887 B12R1.4 COc1ccc(cc1)OC(C)C 7a_100000757185_200000210301 [0,2,0,0,0,0|2,0,0]=4 4888 B12R1.4 COc1ccc(cc1)SC(C)C 62a_100000210206_100000171711 [0,2,0,0,0,0|2,0,0]=4 4889 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [0,2,0,0,0,0|2,0,0]=4 4890 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [0,2,0,0,0,0|2,0,0]=4 4891 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [0,2,0,0,0,0|2,0,0]=4 4892 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,2,0,0,0,0|2,0,0]=4 4893 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,2,0,0,0,0|2,0,0]=4 4894 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,2,0,0,0,0|2,0,0]=4 4895 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [0,2,0,0,0,0|2,0,0]=4 4896 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [0,2,0,0,0,0|2,0,0]=4 4897 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200000210301_200013992848 [0,2,0,0,0,0|2,0,0]=4 4898 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200013992848_200000210301 [0,2,0,0,0,0|2,0,0]=4 4899 B12R1.4 CSc1ccc(cc1)C=C(C)C 271570a_100102525489_100011263217 [0,2,0,0,0,0|2,0,0]=4 4900 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200000210301_200009816947 [0,2,0,0,0,0|2,0,0]=4 4901 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200009816947_200000210301 [0,2,0,0,0,0|2,0,0]=4 4902 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,2,0,0,0,0|1,0,0]=3 4903 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,2,0,0,0,0|1,0,0]=3 4904 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,2,0,0,0,0|1,0,0]=3 4905 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,2,0,0,0,0|1,0,0]=3 4906 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,2,0,0,0,0|1,0,0]=3 4907 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,2,0,0,0,0|1,0,0]=3 4908 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,2,0,0,0,0|1,0,0]=3 4909 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_100011221366_200000210301 [0,2,0,0,0,0|2,0,0]=4 4910 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_200000210301_100011221366 [0,2,0,0,0,0|2,0,0]=4 4911 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_100102631434_100000181263 [0,2,0,0,0,0|2,0,0]=4 4912 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_102495365258_200000210301 [0,2,0,0,0,0|2,0,0]=4 4913 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_100102631434_100011934452 [0,2,0,0,0,0|2,0,0]=4 4914 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_102495365258_200000210301 [0,2,0,0,0,0|2,0,0]=4 4915 B12R1.4 CSc1ccc(cc1)CN(C)C 270004a_100102631434_100000211154 [0,2,0,0,0,0|2,0,0]=4 4916 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_100000174694_200000210301 [0,2,0,0,0,0|2,0,0]=4 4917 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_200000210301_100000174694 [0,2,0,0,0,0|2,0,0]=4 4918 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 2230a_102495365258_200025704644 [0,2,0,0,0,0|2,0,0]=4 4919 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 269982a_102495365258_200025704644 [0,2,0,0,0,0|2,0,0]=4 4920 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,2,0,0,0,0|1,0,0]=3 4921 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,2,0,0,0,0|1,0,0]=3 4922 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,2,0,0,0,0|1,0,0]=3 4923 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,2,0,0,0,0|1,0,0]=3 4924 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [0,2,0,0,0,0|1,0,0]=3 4925 B12R1.4 CSc1ccc(cc1)NC(C)C 34a_100000212337_100000210206 [0,2,0,0,0,0|2,0,0]=4 4926 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_100000219625_200000210301 [0,2,0,0,0,0|2,0,0]=4 4927 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_200000210301_100000219625 [0,2,0,0,0,0|2,0,0]=4 4928 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,2,0,0,0,0|1,0,0]=3 4929 B12R1.4 CSc1ccc(cc1)OC(=S)C 62a_200000210301_200009816735 [0,2,0,0,0,0|1,1,0]=4 4930 B12R1.4 CSc1ccc(cc1)OC(C)C 34a_100000211864_100000210206 [0,2,0,0,0,0|2,0,0]=4 4931 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_100000169947_200000210301 [0,2,0,0,0,0|2,0,0]=4 4932 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_200000210301_100000169947 [0,2,0,0,0,0|2,0,0]=4 4933 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,2,0,0,0,0|1,0,0]=3 4934 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100000210206_100011263217 [0,2,0,0,0,0|2,0,0]=4 4935 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100009811894_200000210301 [0,2,0,0,0,0|2,0,0]=4 4936 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100011263217_100000210206 [0,2,0,0,0,0|2,0,0]=4 4937 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_200000210301_100009811894 [0,2,0,0,0,0|2,0,0]=4 4938 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000071513_200000210301 [0,2,0,0,0,0|2,0,0]=4 4939 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000210301_200000071513 [0,2,0,0,0,0|2,0,0]=4 4940 B12R1.4 CSc1ccc(cn1)NC(=O)C 62a_200000210301_100011934715 [0,2,0,0,0,0|2,0,0]=4 4941 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200000210301_200010888337 [0,2,0,0,0,0|2,0,0]=4 4942 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200010888337_200000210301 [0,2,0,0,0,0|2,0,0]=4 4943 B12R1.4 CSc1ccc(nc1)NC(=O)C 62a_200000210301_100000193312 [0,2,0,0,0,0|2,0,0]=4 4944 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,2,0,0,0,0|1,0,1]=4 4945 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,2,0,0,0,0|1,0,0]=3 4946 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,2,0,0,0,0|1,0,0]=3 4947 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,2,0,0,0,0|1,0,0]=3 4948 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,2,0,0,0,0|1,0,0]=3 4949 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200013992848_200025704644 [0,2,0,0,0,0|2,0,0]=4 4950 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200025704644_200013992848 [0,2,0,0,0,0|2,0,0]=4 4951 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200009816947_200025704644 [0,2,0,0,0,0|2,0,0]=4 4952 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200025704644_200009816947 [0,2,0,0,0,0|2,0,0]=4 4953 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,2,0,0,0,0|1,0,0]=3 4954 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,2,0,0,0,0|1,0,0]=3 4955 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [0,2,0,0,0,0|1,0,0]=3 4956 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200000071513_200025704644 [0,2,0,0,0,0|2,0,0]=4 4957 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200025704644_200000071513 [0,2,0,0,0,0|2,0,0]=4 4958 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200010888337_200025704644 [0,2,0,0,0,0|2,0,0]=4 4959 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200025704644_200010888337 [0,2,0,0,0,0|2,0,0]=4 4960 B12R1.71 C#CCNc1ccc(cc1)C=C 34a_100011218248_100000184674 [0,2,0,0,0,0|1,0,1]=4 4961 B12R1.71 C#CCNc1ccc(cc1)CC 2230a_100000211069_100000038162 [0,2,0,0,0,0|1,0,1]=4 4962 B12R1.71 C#CCNc1ccc(cc1)CC 34a_100000211069_100000184674 [0,2,0,0,0,0|1,0,1]=4 4963 B12R1.71 C#CCOc1ccc(cc1)C=C 34a_100000189437_100000184674 [0,2,0,0,0,0|1,0,1]=4 4964 B12R1.71 C#CCOc1ccc(cc1)C=C 7a_100000189437_100000038162 [0,2,0,0,0,0|1,0,1]=4 4965 B12R1.71 C#CCOc1ccc(cc1)CC 34a_100000211359_100000184674 [0,2,0,0,0,0|1,0,1]=4 4966 B12R1.71 C#CCOc1ccc(cc1)CC 7a_100000211359_100000038162 [0,2,0,0,0,0|1,0,1]=4 4967 B12R1.71 C#CCSc1ccc(cc1)C=C 62a_100000038162_100000748128 [0,2,0,0,0,0|1,0,1]=4 4968 B12R1.71 C#CCSc1ccc(cc1)C=O 62a_100000038162_100000188517 [0,2,0,0,0,0|0,0,1]=3 4969 B12R1.71 C#CCSc1ccc(cc1)CC 62a_100000038162_100011215824 [0,2,0,0,0,0|1,0,1]=4 4970 B12R1.71 C#CCSc1ccc(cn1)C=O 62a_100000038162_100000766901 [0,2,0,0,0,0|1,0,1]=4 4971 B12R1.71 C#CCSc1ccc(nc1)C=O 62a_100000038162_100000754260 [0,2,0,0,0,0|1,0,1]=4 4972 B12R1.71 C#Cc1ccc(cc1)CNCC 207a_100015525214_100011361452 [0,2,0,0,0,0|1,0,1]=4 4973 B12R1.71 C#Cc1ccc(cc1)CNCC 2230a_100015199678_100000210202 [0,2,0,0,0,0|1,0,1]=4 4974 B12R1.71 C#Cc1ccc(cc1)CNCC 2230a_100015525214_100000140223 [0,2,0,0,0,0|1,0,1]=4 4975 B12R1.71 C#Cc1ccc(cc1)CNCC 270004a_100015525214_100011361452 [0,2,0,0,0,0|1,0,1]=4 4976 B12R1.71 C#Cc1ccc(cc1)CNCC 34a_100015199678_100000210202 [0,2,0,0,0,0|1,0,1]=4 4977 B12R1.71 C#Cc1ccc(cc1)CNCF 34a_100015199678_100015361967 [0,2,0,0,0,0|1,0,1]=4 4978 B12R1.71 C#Cc1ccc(cc1)COCC 34a_100000054647_100000210202 [0,2,0,0,0,0|1,0,1]=4 4979 B12R1.71 C#Cc1ccc(cc1)COCC 34a_100121572206_100000140223 [0,2,0,0,0,0|1,0,1]=4 4980 B12R1.71 C#Cc1ccc(cc1)COCC 7a_100000054647_100000210202 [0,2,0,0,0,0|1,0,1]=4 4981 B12R1.71 C#Cc1ccc(cc1)COCF 34a_100000054647_100015361967 [0,2,0,0,0,0|1,0,1]=4 4982 B12R1.71 C#Cc1ccc(cc1)COCF 7a_100000054647_100015361967 [0,2,0,0,0,0|1,0,1]=4 4983 B12R1.71 C#Cc1ccc(cc1)CSCC 62a_100000210202_100000140223 [0,2,0,0,0,0|1,0,1]=4 4984 B12R1.71 C#Cc1ccc(cc1)CSCF 62a_100015361967_100000140223 [0,2,0,0,0,0|1,0,1]=4 4985 B12R1.71 C#Cc1ccc(cc1)NCC=O 34a_100011215031_200009817547 [0,2,0,0,0,0|0,0,2]=4 4986 B12R1.71 C#Cc1ccc(cc1)NCCC 34a_100011215031_100000210303 [0,2,0,0,0,0|1,0,1]=4 4987 B12R1.71 C#Cc1ccc(cc1)NCCF 34a_100011215031_100011217306 [0,2,0,0,0,0|1,0,1]=4 4988 B12R1.71 C#Cc1ccc(cc1)NCCO 34a_100011215031_100000211926 [0,2,0,0,0,0|1,0,1]=4 4989 B12R1.71 C#Cc1ccc(cc1)NCSC 34a_100011215031_100011218213 [0,2,0,0,0,0|1,0,1]=4 4990 B12R1.71 C=CCNc1ccc(cc1)C=C 34a_100011218248_100015514636 [0,2,0,0,0,0|1,0,1]=4 4991 B12R1.71 C=CCNc1ccc(cc1)CC 2230a_100000211069_100000210623 [0,2,0,0,0,0|1,0,0]=3 4992 B12R1.71 C=CCNc1ccc(cc1)CC 34a_100000211069_100015514636 [0,2,0,0,0,0|1,0,0]=3 4993 B12R1.71 C=CCNc1ccc(cc1)CO 2230a_100011215238_100000210623 [0,2,0,0,0,0|2,0,0]=4 4994 B12R1.71 C=CCNc1ccc(cc1)CO 34a_100011215238_100015514636 [0,2,0,0,0,0|2,0,0]=4 4995 B12R1.71 C=CCNc1ccc(cc1)OC 34a_100000184247_100015514636 [0,2,0,0,0,0|2,0,0]=4 4996 B12R1.71 C=CCNc1ccc(cc1)SC 34a_100000212337_100015514636 [0,2,0,0,0,0|2,0,0]=4 4997 B12R1.71 C=CCOc1ccc(cc1)C=C 271570a_100011290941_100000172055 [0,2,0,0,0,0|1,0,1]=4 4998 B12R1.71 C=CCOc1ccc(cc1)C=C 34a_100000189437_100015514636 [0,2,0,0,0,0|1,0,1]=4 4999 B12R1.71 C=CCOc1ccc(cc1)C=C 7a_100000189437_100015514636 [0,2,0,0,0,0|1,0,1]=4 5000 B12R1.71 C=CCOc1ccc(cc1)CC 34a_100000211359_100015514636 [0,2,0,0,0,0|1,0,0]=3 5001 B12R1.71 C=CCOc1ccc(cc1)CC 7a_100000211359_100015514636 [0,2,0,0,0,0|1,0,0]=3 5002 B12R1.71 C=CCOc1ccc(cc1)CN 34a_100000185549_100015514636 [0,2,0,0,0,0|2,0,0]=4 5003 B12R1.71 C=CCOc1ccc(cc1)CO 34a_100000211755_100015514636 [0,2,0,0,0,0|2,0,0]=4 5004 B12R1.71 C=CCOc1ccc(cc1)NC 34a_100000182112_100015514636 [0,2,0,0,0,0|2,0,0]=4 5005 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [0,2,0,0,0,0|2,0,0]=4 5006 B12R1.71 C=CCOc1ccc(cc1)SC 34a_100000211864_100015514636 [0,2,0,0,0,0|2,0,0]=4 5007 B12R1.71 C=CCOc1ccc(cc1)SC 62a_100000172055_200000210301 [0,2,0,0,0,0|2,0,0]=4 5008 B12R1.71 C=CCOc1ccc(cc1)SC 62a_200000210301_100000172055 [0,2,0,0,0,0|2,0,0]=4 5009 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_100000172055_200025704644 [0,2,0,0,0,0|2,0,0]=4 5010 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000172055 [0,2,0,0,0,0|2,0,0]=4 5011 B12R1.71 C=CCSc1ccc(cc1)C=C 62a_100000210623_100000748128 [0,2,0,0,0,0|1,0,1]=4 5012 B12R1.71 C=CCSc1ccc(cc1)C=C 62a_100000748128_100000210623 [0,2,0,0,0,0|1,0,1]=4 5013 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000188517_100000210623 [0,2,0,0,0,0|0,0,1]=3 5014 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000210623_100000188517 [0,2,0,0,0,0|0,0,1]=3 5015 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100000210623_100011215824 [0,2,0,0,0,0|1,0,0]=3 5016 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100011215824_100000210623 [0,2,0,0,0,0|1,0,0]=3 5017 B12R1.71 C=CCSc1ccc(cc1)CF 62a_100000210623_100010268989 [0,2,0,0,0,0|2,0,0]=4 5018 B12R1.71 C=CCSc1ccc(cc1)CF 62a_100010268989_100000210623 [0,2,0,0,0,0|2,0,0]=4 5019 B12R1.71 C=CCSc1ccc(cc1)CN 62a_100000210623_100016989417 [0,2,0,0,0,0|2,0,0]=4 5020 B12R1.71 C=CCSc1ccc(cc1)CN 62a_100016989417_100000210623 [0,2,0,0,0,0|2,0,0]=4 5021 B12R1.71 C=CCSc1ccc(cc1)CO 62a_100000210623_100000690907 [0,2,0,0,0,0|2,0,0]=4 5022 B12R1.71 C=CCSc1ccc(cc1)CO 62a_100000690907_100000210623 [0,2,0,0,0,0|2,0,0]=4 5023 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000210623_100000743151 [0,2,0,0,0,0|2,0,0]=4 5024 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000743151_100000210623 [0,2,0,0,0,0|2,0,0]=4 5025 B12R1.71 C=CCSc1ccc(cc1)OC 62a_100000210623_100000171711 [0,2,0,0,0,0|2,0,0]=4 5026 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100000210623_100011263217 [0,2,0,0,0,0|2,0,0]=4 5027 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100011263217_100000210623 [0,2,0,0,0,0|2,0,0]=4 5028 B12R1.71 C=CCSc1ccc(cn1)C=O 62a_100000210623_100000766901 [0,2,0,0,0,0|1,0,1]=4 5029 B12R1.71 C=CCSc1ccc(cn1)C=O 62a_100000766901_100000210623 [0,2,0,0,0,0|1,0,1]=4 5030 B12R1.71 C=CCSc1ccc(cn1)CC 62a_100000210623_100009843584 [0,2,0,0,0,0|2,0,0]=4 5031 B12R1.71 C=CCSc1ccc(cn1)CC 62a_100009843584_100000210623 [0,2,0,0,0,0|2,0,0]=4 5032 B12R1.71 C=CCSc1ccc(nc1)C=O 62a_100000210623_100000754260 [0,2,0,0,0,0|1,0,1]=4 5033 B12R1.71 C=CCSc1ccc(nc1)C=O 62a_100000754260_100000210623 [0,2,0,0,0,0|1,0,1]=4 5034 B12R1.71 C=CCSc1ccc(nc1)CC 62a_100000210623_100009820025 [0,2,0,0,0,0|2,0,0]=4 5035 B12R1.71 C=CCSc1ccc(nc1)CC 62a_100009820025_100000210623 [0,2,0,0,0,0|2,0,0]=4 5036 B12R1.71 C=Cc1ccc(cc1)C#CCO 271570a_100011290941_100009814260 [0,2,0,0,0,0|1,0,1]=4 5037 B12R1.71 C=Cc1ccc(cc1)C=COC 271570a_100011290941_100020630460 [0,2,0,0,0,0|1,0,1]=4 5038 B12R1.71 C=Cc1ccc(cc1)CCC#N 271570a_100011290941_100011216407 [0,2,0,0,0,0|1,0,0]=3 5039 B12R1.71 C=Cc1ccc(cc1)CCC=O 271570a_100011290941_100011361538 [0,2,0,0,0,0|1,0,0]=3 5040 B12R1.71 C=Cc1ccc(cc1)CCCC 271570a_100011290941_100011215597 [0,2,0,0,0,0|1,0,0]=3 5041 B12R1.71 C=Cc1ccc(cc1)CCCN 271570a_100011290941_100011297623 [0,2,0,0,0,0|1,0,0]=3 5042 B12R1.71 C=Cc1ccc(cc1)CCCO 271570a_100011290941_100011709247 [0,2,0,0,0,0|1,0,0]=3 5043 B12R1.71 C=Cc1ccc(cc1)CCNC 2230a_106832991635_100000142037 [0,2,0,0,0,0|1,0,0]=3 5044 B12R1.71 C=Cc1ccc(cc1)CCNC 271570a_100011290941_100000752880 [0,2,0,0,0,0|1,0,0]=3 5045 B12R1.71 C=Cc1ccc(cc1)CCNC 34a_100102657272_100000142037 [0,2,0,0,0,0|1,0,0]=3 5046 B12R1.71 C=Cc1ccc(cc1)CCNC 7a_106832991635_100000142037 [0,2,0,0,0,0|1,0,0]=3 5047 B12R1.71 C=Cc1ccc(cc1)CCOC 271570a_100011290941_100000739703 [0,2,0,0,0,0|1,0,0]=3 5048 B12R1.71 C=Cc1ccc(cc1)CCOC 34a_100138415774_100000142037 [0,2,0,0,0,0|1,0,0]=3 5049 B12R1.71 C=Cc1ccc(cc1)CCSC 62a_100000142037_200000210301 [0,2,0,0,0,0|1,0,0]=3 5050 B12R1.71 C=Cc1ccc(cc1)CCSC 62a_200000210301_100000142037 [0,2,0,0,0,0|1,0,0]=3 5051 B12R1.71 C=Cc1ccc(cc1)CCS[13CH3] 62a_100000142037_200025704644 [0,2,0,0,0,0|1,0,0]=3 5052 B12R1.71 C=Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100000142037 [0,2,0,0,0,0|1,0,0]=3 5053 B12R1.71 C=Cc1ccc(cc1)CNCC 2230a_100015525214_100000034074 [0,2,0,0,0,0|1,0,0]=3 5054 B12R1.71 C=Cc1ccc(cc1)CNCC 270004a_100015525214_100011361436 [0,2,0,0,0,0|1,0,0]=3 5055 B12R1.71 C=Cc1ccc(cc1)CNCC 271570a_100011290941_100000187385 [0,2,0,0,0,0|1,0,0]=3 5056 B12R1.71 C=Cc1ccc(cc1)CNCC 34a_200011934891_100000210202 [0,2,0,0,0,0|1,0,0]=3 5057 B12R1.71 C=Cc1ccc(cc1)CNCF 34a_200011934891_100015361967 [0,2,0,0,0,0|1,0,0]=3 5058 B12R1.71 C=Cc1ccc(cc1)COCC 271570a_100011290941_100000758564 [0,2,0,0,0,0|1,0,0]=3 5059 B12R1.71 C=Cc1ccc(cc1)COCC 34a_100000073583_100000210202 [0,2,0,0,0,0|1,0,0]=3 5060 B12R1.71 C=Cc1ccc(cc1)COCC 34a_100121572206_100000034074 [0,2,0,0,0,0|1,0,0]=3 5061 B12R1.71 C=Cc1ccc(cc1)COCC 7a_100000073583_100000210202 [0,2,0,0,0,0|1,0,0]=3 5062 B12R1.71 C=Cc1ccc(cc1)COCF 34a_100000073583_100015361967 [0,2,0,0,0,0|1,0,0]=3 5063 B12R1.71 C=Cc1ccc(cc1)COCF 7a_100000073583_100015361967 [0,2,0,0,0,0|1,0,0]=3 5064 B12R1.71 C=Cc1ccc(cc1)CSC#N 271570a_100011290941_200010141448 [0,2,0,0,0,0|1,0,1]=4 5065 B12R1.71 C=Cc1ccc(cc1)CSCC 62a_100000034074_100000210202 [0,2,0,0,0,0|1,0,0]=3 5066 B12R1.71 C=Cc1ccc(cc1)CSCC 62a_100000210202_100000034074 [0,2,0,0,0,0|1,0,0]=3 5067 B12R1.71 C=Cc1ccc(cc1)CSCF 62a_100000034074_100015361967 [0,2,0,0,0,0|1,0,0]=3 5068 B12R1.71 C=Cc1ccc(cc1)CSCF 62a_100015361967_100000034074 [0,2,0,0,0,0|1,0,0]=3 5069 B12R1.71 C=Cc1ccc(cc1)NCC=O 34a_100011218248_200009817547 [0,2,0,0,0,0|0,0,2]=4 5070 B12R1.71 C=Cc1ccc(cc1)NCCC 34a_100011218248_100000210303 [0,2,0,0,0,0|1,0,0]=3 5071 B12R1.71 C=Cc1ccc(cc1)NCCF 34a_100011218248_100011217306 [0,2,0,0,0,0|1,0,0]=3 5072 B12R1.71 C=Cc1ccc(cc1)NCCO 34a_100011218248_100000211926 [0,2,0,0,0,0|1,0,0]=3 5073 B12R1.71 C=Cc1ccc(cc1)NCSC 34a_100011218248_100011218213 [0,2,0,0,0,0|1,0,0]=3 5074 B12R1.71 C=Cc1ccc(cc1)OCC#N 271570a_100011290941_200000169425 [0,2,0,0,0,0|1,0,1]=4 5075 B12R1.71 C=Cc1ccc(cc1)OCC#N 7a_100000189437_100011215382 [0,2,0,0,0,0|1,0,1]=4 5076 B12R1.71 C=Cc1ccc(cc1)OCC=O 34a_100000189437_200009817547 [0,2,0,0,0,0|0,0,2]=4 5077 B12R1.71 C=Cc1ccc(cc1)OCC=O 7a_100000189437_200015260668 [0,2,0,0,0,0|0,0,2]=4 5078 B12R1.71 C=Cc1ccc(cc1)OCCC 271570a_100011290941_100000169948 [0,2,0,0,0,0|1,0,0]=3 5079 B12R1.71 C=Cc1ccc(cc1)OCCC 34a_100000189437_100000210303 [0,2,0,0,0,0|1,0,0]=3 5080 B12R1.71 C=Cc1ccc(cc1)OCCC 7a_100000189437_100000210303 [0,2,0,0,0,0|1,0,0]=3 5081 B12R1.71 C=Cc1ccc(cc1)OCCF 271570a_100011290941_100012347556 [0,2,0,0,0,0|1,0,0]=3 5082 B12R1.71 C=Cc1ccc(cc1)OCCF 34a_100000189437_100011217306 [0,2,0,0,0,0|1,0,0]=3 5083 B12R1.71 C=Cc1ccc(cc1)OCCF 7a_100000189437_100011217306 [0,2,0,0,0,0|1,0,0]=3 5084 B12R1.71 C=Cc1ccc(cc1)OCCN 271570a_100011290941_100000746992 [0,2,0,0,0,0|1,0,0]=3 5085 B12R1.71 C=Cc1ccc(cc1)OCCO 271570a_100011290941_100000686261 [0,2,0,0,0,0|1,0,0]=3 5086 B12R1.71 C=Cc1ccc(cc1)OCCO 34a_100000189437_100000211926 [0,2,0,0,0,0|1,0,0]=3 5087 B12R1.71 C=Cc1ccc(cc1)OCCO 7a_100000189437_100000211926 [0,2,0,0,0,0|1,0,0]=3 5088 B12R1.71 C=Cc1ccc(cc1)OCOC 271570a_100011290941_100012265687 [0,2,0,0,0,0|1,0,0]=3 5089 B12R1.71 C=Cc1ccc(cc1)OCSC 34a_100000189437_100011218213 [0,2,0,0,0,0|1,0,0]=3 5090 B12R1.71 C=Cc1ccc(cc1)SCC#N 62a_100000748128_100011215382 [0,2,0,0,0,0|1,0,1]=4 5091 B12R1.71 C=Cc1ccc(cc1)SCC#N 62a_100011215382_100000748128 [0,2,0,0,0,0|1,0,1]=4 5092 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_100000748128_200015260668 [0,2,0,0,0,0|0,0,2]=4 5093 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_200015260668_100000748128 [0,2,0,0,0,0|0,0,2]=4 5094 B12R1.71 C=Cc1ccc(cc1)SCCC 271570a_100011290941_200009811899 [0,2,0,0,0,0|1,0,0]=3 5095 B12R1.71 C=Cc1ccc(cc1)SCCC 62a_100000210303_100000748128 [0,2,0,0,0,0|1,0,0]=3 5096 B12R1.71 C=Cc1ccc(cc1)SCCC 62a_100000748128_100000210303 [0,2,0,0,0,0|1,0,0]=3 5097 B12R1.71 C=Cc1ccc(cc1)SCCF 62a_100000748128_100011217306 [0,2,0,0,0,0|1,0,0]=3 5098 B12R1.71 C=Cc1ccc(cc1)SCCF 62a_100011217306_100000748128 [0,2,0,0,0,0|1,0,0]=3 5099 B12R1.71 C=Cc1ccc(cc1)SCCN 271570a_100011290941_100000184645 [0,2,0,0,0,0|1,0,0]=3 5100 B12R1.71 C=Cc1ccc(cc1)SCCO 62a_100000211926_100000748128 [0,2,0,0,0,0|1,0,0]=3 5101 B12R1.71 C=Cc1ccc(cc1)SCCO 62a_100000748128_100000211926 [0,2,0,0,0,0|1,0,0]=3 5102 B12R1.71 C=Cc1ccc(cc1)SCOC 62a_100000748128_100000766300 [0,2,0,0,0,0|1,0,0]=3 5103 B12R1.71 C=Cc1ccc(cc1)SCOC 62a_100000766300_100000748128 [0,2,0,0,0,0|1,0,0]=3 5104 B12R1.71 C=Cc1ccc(cc1)SCSC 62a_100000748128_100011218213 [0,2,0,0,0,0|1,0,0]=3 5105 B12R1.71 C=Cc1ccc(cc1)SCSC 62a_100011218213_100000748128 [0,2,0,0,0,0|1,0,0]=3 5106 B12R1.71 C=Cc1ccc(cn1)COCC 271570a_100011290941_100011206209 [0,2,0,0,0,0|2,0,0]=4 5107 B12R1.71 C=Cc1ccc(cn1)OCCC 271570a_100011290941_100000719977 [0,2,0,0,0,0|2,0,0]=4 5108 B12R1.71 C=Cc1ccc(cn1)OCCO 271570a_100011290941_200013150534 [0,2,0,0,0,0|2,0,0]=4 5109 B12R1.71 C=Cc1ccc(cn1)OCOC 271570a_100011290941_100012568617 [0,2,0,0,0,0|2,0,0]=4 5110 B12R1.71 C=Cc1ccc(nc1)NCCN 271570a_100011290941_200011214600 [0,2,0,0,0,0|2,0,0]=4 5111 B12R1.71 C=Cc1ccc(nc1)OCCC 271570a_100011290941_100011465619 [0,2,0,0,0,0|2,0,0]=4 5112 B12R1.71 C=Cc1ccc(nc1)SCCC 62a_100000210303_103436540071 [0,2,0,0,0,0|2,0,0]=4 5113 B12R1.71 C=Cc1ccc(nc1)SCCC 62a_103436540071_100000210303 [0,2,0,0,0,0|2,0,0]=4 5114 B12R1.71 C=Cc1ccc(nc1)SCCF 62a_100011217306_103436540071 [0,2,0,0,0,0|2,0,0]=4 5115 B12R1.71 C=Cc1ccc(nc1)SCCF 62a_103436540071_100011217306 [0,2,0,0,0,0|2,0,0]=4 5116 B12R1.71 C=Cc1ccc(nc1)SCCO 62a_100000211926_103436540071 [0,2,0,0,0,0|2,0,0]=4 5117 B12R1.71 C=Cc1ccc(nc1)SCCO 62a_103436540071_100000211926 [0,2,0,0,0,0|2,0,0]=4 5118 B12R1.71 C=Cc1ccc(nc1)SCOC 62a_100000766300_103436540071 [0,2,0,0,0,0|2,0,0]=4 5119 B12R1.71 C=Cc1ccc(nc1)SCOC 62a_103436540071_100000766300 [0,2,0,0,0,0|2,0,0]=4 5120 B12R1.71 C=Cc1ccc(nc1)SCSC 62a_100011218213_103436540071 [0,2,0,0,0,0|2,0,0]=4 5121 B12R1.71 C=Cc1ccc(nc1)SCSC 62a_103436540071_100011218213 [0,2,0,0,0,0|2,0,0]=4 5122 B12R1.71 CC=NNc1ccc(cc1)CC 4a_100015204395_200000210099 [0,2,0,0,0,0|1,0,0]=3 5123 B12R1.71 CC=NNc1ccc(cc1)OC 4a_100000005221_200000210099 [0,2,0,0,0,0|2,0,0]=4 5124 B12R1.71 CC=NNc1ccc(cc1)SC 4a_100000006515_200000210099 [0,2,0,0,0,0|2,0,0]=4 5125 B12R1.71 CCCCc1ccc(cc1)C#N 271570a_100020621405_100000179745 [0,2,0,0,0,0|1,0,1]=4 5126 B12R1.71 CCCCc1ccc(cc1)C=O 271570a_100020621405_100000186029 [0,2,0,0,0,0|0,0,0]=2 5127 B12R1.71 CCCCc1ccc(cc1)CC 271570a_100020621405_100011215824 [0,2,0,0,0,0|1,0,1]=4 5128 B12R1.71 CCCCc1ccc(cc1)CF 271570a_100020621405_100010268989 [0,2,0,0,0,0|1,0,1]=4 5129 B12R1.71 CCCCc1ccc(cc1)CN 271570a_100020621405_100016989417 [0,2,0,0,0,0|1,0,1]=4 5130 B12R1.71 CCCCc1ccc(cc1)CO 271570a_100020621405_100000690907 [0,2,0,0,0,0|0,0,2]=4 5131 B12R1.71 CCCCc1ccc(cc1)NC 2230a_100000210628_200000210301 [0,2,0,0,0,0|2,0,0]=4 5132 B12R1.71 CCCCc1ccc(cc1)NC 271570a_100020621405_100000219623 [0,2,0,0,0,0|2,0,0]=4 5133 B12R1.71 CCCCc1ccc(cc1)NC 34a_100000210628_200000210301 [0,2,0,0,0,0|2,0,0]=4 5134 B12R1.71 CCCCc1ccc(cc1)NN 271570a_100020621405_100016988836 [0,2,0,0,0,0|2,0,0]=4 5135 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 2230a_100000210628_200025704644 [0,2,0,0,0,0|2,0,0]=4 5136 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 34a_100000210628_200025704644 [0,2,0,0,0,0|2,0,0]=4 5137 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [0,2,0,0,0,0|2,0,0]=4 5138 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [0,2,0,0,0,0|2,0,0]=4 5139 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [0,2,0,0,0,0|2,0,0]=4 5140 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [0,2,0,0,0,0|2,0,0]=4 5141 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [0,2,0,0,0,0|2,0,0]=4 5142 B12R1.71 CCCCc1ccc(cc1)SC 271570a_100020621405_100011263217 [0,2,0,0,0,0|2,0,0]=4 5143 B12R1.71 CCCCc1ccc(cc1)SC 62a_100011218101_200000210301 [0,2,0,0,0,0|2,0,0]=4 5144 B12R1.71 CCCCc1ccc(cc1)SC 62a_200000210301_100011218101 [0,2,0,0,0,0|2,0,0]=4 5145 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_100011218101_200025704644 [0,2,0,0,0,0|2,0,0]=4 5146 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100011218101 [0,2,0,0,0,0|2,0,0]=4 5147 B12R1.71 CCCCc1ccc(cn1)C=O 271570a_100020621405_100000766901 [0,2,0,0,0,0|1,0,0]=3 5148 B12R1.71 CCCCc1ccc(nc1)C=O 271570a_100020621405_100000754260 [0,2,0,0,0,0|1,0,0]=3 5149 B12R1.71 CCCCc1ccc(nn1)C=O 271570a_100020621405_100000044651 [0,2,0,0,0,0|2,0,0]=4 5150 B12R1.71 CCCCc1cnc(cn1)C=O 271570a_100020621405_100012001714 [0,2,0,0,0,0|2,0,0]=4 5151 B12R1.71 CCCCc1ncc(cn1)C=O 271570a_100020621405_100000070856 [0,2,0,0,0,0|2,0,0]=4 5152 B12R1.71 CCCNc1ccc(cc1)C#N 34a_100000185469_100000210303 [0,2,0,0,0,0|1,0,1]=4 5153 B12R1.71 CCCNc1ccc(cc1)CC 2230a_100000211069_100000210303 [0,2,0,0,0,0|1,0,1]=4 5154 B12R1.71 CCCNc1ccc(cc1)CC 34a_100000211069_100000210303 [0,2,0,0,0,0|1,0,1]=4 5155 B12R1.71 CCCNc1ccc(cc1)CO 2230a_100011215238_100000210303 [0,2,0,0,0,0|0,0,2]=4 5156 B12R1.71 CCCNc1ccc(cc1)CO 34a_100011215238_100000210303 [0,2,0,0,0,0|0,0,2]=4 5157 B12R1.71 CCCNc1ccc(cc1)OC 34a_100000184247_100000210303 [0,2,0,0,0,0|2,0,0]=4 5158 B12R1.71 CCCNc1ccc(cc1)SC 34a_100000212337_100000210303 [0,2,0,0,0,0|2,0,0]=4 5159 B12R1.71 CCCOc1ccc(cc1)C#N 34a_100000210344_100000210303 [0,2,0,0,0,0|1,0,1]=4 5160 B12R1.71 CCCOc1ccc(cc1)C#N 7a_100000210344_100000210303 [0,2,0,0,0,0|1,0,1]=4 5161 B12R1.71 CCCOc1ccc(cc1)CC 34a_100000211359_100000210303 [0,2,0,0,0,0|1,0,1]=4 5162 B12R1.71 CCCOc1ccc(cc1)CC 7a_100000211359_100000210303 [0,2,0,0,0,0|1,0,1]=4 5163 B12R1.71 CCCOc1ccc(cc1)CN 34a_100000185549_100000210303 [0,2,0,0,0,0|1,0,1]=4 5164 B12R1.71 CCCOc1ccc(cc1)CO 34a_100000211755_100000210303 [0,2,0,0,0,0|0,0,2]=4 5165 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000182112_100000210303 [0,2,0,0,0,0|2,0,0]=4 5166 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000748631_200000210301 [0,2,0,0,0,0|2,0,0]=4 5167 B12R1.71 CCCOc1ccc(cc1)N[13CH3] 34a_100000748631_200025704644 [0,2,0,0,0,0|2,0,0]=4 5168 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [0,2,0,0,0,0|2,0,0]=4 5169 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [0,2,0,0,0,0|2,0,0]=4 5170 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [0,2,0,0,0,0|2,0,0]=4 5171 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [0,2,0,0,0,0|2,0,0]=4 5172 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [0,2,0,0,0,0|2,0,0]=4 5173 B12R1.71 CCCOc1ccc(cc1)SC 34a_100000211864_100000210303 [0,2,0,0,0,0|2,0,0]=4 5174 B12R1.71 CCCOc1ccc(cc1)SC 62a_100000169948_200000210301 [0,2,0,0,0,0|2,0,0]=4 5175 B12R1.71 CCCOc1ccc(cc1)SC 62a_200000210301_100000169948 [0,2,0,0,0,0|2,0,0]=4 5176 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_100000169948_200025704644 [0,2,0,0,0,0|2,0,0]=4 5177 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000169948 [0,2,0,0,0,0|2,0,0]=4 5178 B12R1.71 CCCSc1ccc(cc1)C#N 62a_100000210303_100000184291 [0,2,0,0,0,0|1,0,1]=4 5179 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000188517_100000210303 [0,2,0,0,0,0|0,0,0]=2 5180 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000210303_100000188517 [0,2,0,0,0,0|0,0,0]=2 5181 B12R1.71 CCCSc1ccc(cc1)CC 62a_100000210303_100011215824 [0,2,0,0,0,0|1,0,1]=4 5182 B12R1.71 CCCSc1ccc(cc1)CC 62a_100011215824_100000210303 [0,2,0,0,0,0|1,0,1]=4 5183 B12R1.71 CCCSc1ccc(cc1)CF 62a_100000210303_100010268989 [0,2,0,0,0,0|1,0,1]=4 5184 B12R1.71 CCCSc1ccc(cc1)CF 62a_100010268989_100000210303 [0,2,0,0,0,0|1,0,1]=4 5185 B12R1.71 CCCSc1ccc(cc1)CN 62a_100000210303_100016989417 [0,2,0,0,0,0|1,0,1]=4 5186 B12R1.71 CCCSc1ccc(cc1)CN 62a_100016989417_100000210303 [0,2,0,0,0,0|1,0,1]=4 5187 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000210303_100000690907 [0,2,0,0,0,0|0,0,2]=4 5188 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000690907_100000210303 [0,2,0,0,0,0|0,0,2]=4 5189 B12R1.71 CCCSc1ccc(cc1)NC 34a_100015183887_200000210301 [0,2,0,0,0,0|2,0,0]=4 5190 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000210303_100000743151 [0,2,0,0,0,0|2,0,0]=4 5191 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000743151_100000210303 [0,2,0,0,0,0|2,0,0]=4 5192 B12R1.71 CCCSc1ccc(cc1)NC 7a_100015183887_200000210301 [0,2,0,0,0,0|2,0,0]=4 5193 B12R1.71 CCCSc1ccc(cc1)NN 62a_100000210303_100016988836 [0,2,0,0,0,0|2,0,0]=4 5194 B12R1.71 CCCSc1ccc(cc1)NN 62a_100016988836_100000210303 [0,2,0,0,0,0|2,0,0]=4 5195 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 34a_100015183887_200025704644 [0,2,0,0,0,0|2,0,0]=4 5196 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 7a_100015183887_200025704644 [0,2,0,0,0,0|2,0,0]=4 5197 B12R1.71 CCCSc1ccc(cc1)OC 62a_100000210303_100000171711 [0,2,0,0,0,0|2,0,0]=4 5198 B12R1.71 CCCSc1ccc(cc1)SC 62a_100000210303_100011263217 [0,2,0,0,0,0|2,0,0]=4 5199 B12R1.71 CCCSc1ccc(cc1)SC 62a_100011263217_100000210303 [0,2,0,0,0,0|2,0,0]=4 5200 B12R1.71 CCCSc1ccc(cc1)SC 62a_200000210301_200009811899 [0,2,0,0,0,0|2,0,0]=4 5201 B12R1.71 CCCSc1ccc(cc1)SC 62a_200009811899_200000210301 [0,2,0,0,0,0|2,0,0]=4 5202 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200009811899_200025704644 [0,2,0,0,0,0|2,0,0]=4 5203 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811899 [0,2,0,0,0,0|2,0,0]=4 5204 B12R1.71 CCCSc1ccc(cn1)C=O 62a_100000210303_100000766901 [0,2,0,0,0,0|1,0,0]=3 5205 B12R1.71 CCCSc1ccc(cn1)C=O 62a_100000766901_100000210303 [0,2,0,0,0,0|1,0,0]=3 5206 B12R1.71 CCCSc1ccc(nc1)C=O 62a_100000210303_100000754260 [0,2,0,0,0,0|1,0,0]=3 5207 B12R1.71 CCCSc1ccc(nc1)C=O 62a_100000754260_100000210303 [0,2,0,0,0,0|1,0,0]=3 5208 B12R1.71 CCCSc1ccc(nn1)C=O 62a_100000044651_100000210303 [0,2,0,0,0,0|2,0,0]=4 5209 B12R1.71 CCCSc1ccc(nn1)C=O 62a_100000210303_100000044651 [0,2,0,0,0,0|2,0,0]=4 5210 B12R1.71 CCCSc1cnc(cn1)C=O 62a_100000210303_100012001714 [0,2,0,0,0,0|2,0,0]=4 5211 B12R1.71 CCCSc1cnc(cn1)C=O 62a_100012001714_100000210303 [0,2,0,0,0,0|2,0,0]=4 5212 B12R1.71 CCCSc1ncc(cn1)C=O 62a_100000070856_100000210303 [0,2,0,0,0,0|2,0,0]=4 5213 B12R1.71 CCCSc1ncc(cn1)C=O 62a_100000210303_100000070856 [0,2,0,0,0,0|2,0,0]=4 5214 B12R1.71 CCNCc1ccc(cc1)C#N 207a_100015525214_100000211122 [0,2,0,0,0,0|1,0,1]=4 5215 B12R1.71 CCNCc1ccc(cc1)C#N 2230a_100015525214_100000184898 [0,2,0,0,0,0|1,0,1]=4 5216 B12R1.71 CCNCc1ccc(cc1)C#N 270004a_100015525214_100000211122 [0,2,0,0,0,0|1,0,1]=4 5217 B12R1.71 CCNCc1ccc(cc1)C#N 34a_100015207190_100000210202 [0,2,0,0,0,0|1,0,1]=4 5218 B12R1.71 CCNCc1ccc(cc1)C=O 2230a_100015525214_100009816848 [0,2,0,0,0,0|0,0,0]=2 5219 B12R1.71 CCNCc1ccc(cc1)CC 207a_100015525214_100000211036 [0,2,0,0,0,0|1,0,1]=4 5220 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100000721222_100000210202 [0,2,0,0,0,0|1,0,1]=4 5221 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100015525214_100000747183 [0,2,0,0,0,0|1,0,1]=4 5222 B12R1.71 CCNCc1ccc(cc1)CC 270004a_100015525214_100000211036 [0,2,0,0,0,0|1,0,1]=4 5223 B12R1.71 CCNCc1ccc(cc1)CC 34a_100000721222_100000210202 [0,2,0,0,0,0|1,0,1]=4 5224 B12R1.71 CCNCc1ccc(cc1)CO 207a_100015525214_100009832023 [0,2,0,0,0,0|0,0,2]=4 5225 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015189231_100000210202 [0,2,0,0,0,0|0,0,2]=4 5226 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015525214_100000067286 [0,2,0,0,0,0|0,0,2]=4 5227 B12R1.71 CCNCc1ccc(cc1)CO 270004a_100015525214_100009832023 [0,2,0,0,0,0|0,0,2]=4 5228 B12R1.71 CCNCc1ccc(cc1)CO 34a_100015189231_100000210202 [0,2,0,0,0,0|0,0,2]=4 5229 B12R1.71 CCNCc1ccc(cc1)OC 207a_100015525214_100000169835 [0,2,0,0,0,0|2,0,0]=4 5230 B12R1.71 CCNCc1ccc(cc1)OC 2230a_100015525214_100000742318 [0,2,0,0,0,0|2,0,0]=4 5231 B12R1.71 CCNCc1ccc(cc1)OC 270004a_100015525214_100000169835 [0,2,0,0,0,0|2,0,0]=4 5232 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000185587_100000210202 [0,2,0,0,0,0|2,0,0]=4 5233 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000748449_200000210301 [0,2,0,0,0,0|2,0,0]=4 5234 B12R1.71 CCNCc1ccc(cc1)O[13CH3] 34a_100000748449_200025704644 [0,2,0,0,0,0|2,0,0]=4 5235 B12R1.71 CCNCc1ccc(cc1)SC 207a_100015525214_100000211154 [0,2,0,0,0,0|2,0,0]=4 5236 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100000174980_100000210202 [0,2,0,0,0,0|2,0,0]=4 5237 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100015525214_100000181263 [0,2,0,0,0,0|2,0,0]=4 5238 B12R1.71 CCNCc1ccc(cc1)SC 270004a_100015525214_100000211154 [0,2,0,0,0,0|2,0,0]=4 5239 B12R1.71 CCNCc1ccc(cc1)SC 34a_100000174980_100000210202 [0,2,0,0,0,0|2,0,0]=4 5240 B12R1.71 CCNCc1ccc(cc1)SC 62a_100000187385_200000210301 [0,2,0,0,0,0|2,0,0]=4 5241 B12R1.71 CCNCc1ccc(cc1)SC 62a_200000210301_100000187385 [0,2,0,0,0,0|2,0,0]=4 5242 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_100000187385_200025704644 [0,2,0,0,0,0|2,0,0]=4 5243 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000187385 [0,2,0,0,0,0|2,0,0]=4 5244 B12R1.71 CCNN=C1C=CC(=NCl)C=C1 4a_100000756455_100000088476 [0,2,0,0,0,0|2,0,0]=4 5245 B12R1.71 CCNN=C1C=CC(=NO)C=C1 4a_100000756455_200000095120 [0,2,0,0,0,0|1,0,1]=4 5246 B12R1.71 CCOCc1ccc(cc1)C#N 34a_100000238739_100000210202 [0,2,0,0,0,0|1,0,1]=4 5247 B12R1.71 CCOCc1ccc(cc1)C#N 34a_100121572206_100000184898 [0,2,0,0,0,0|1,0,1]=4 5248 B12R1.71 CCOCc1ccc(cc1)C#N 7a_100000238739_100000210202 [0,2,0,0,0,0|1,0,1]=4 5249 B12R1.71 CCOCc1ccc(cc1)C=O 34a_100121572206_100009816848 [0,2,0,0,0,0|0,0,0]=2 5250 B12R1.71 CCOCc1ccc(cc1)CBr 34a_100012353999_100000210202 [0,2,0,0,0,0|1,0,1]=4 5251 B12R1.71 CCOCc1ccc(cc1)CBr 7a_100012353999_100000210202 [0,2,0,0,0,0|1,0,1]=4 5252 B12R1.71 CCOCc1ccc(cc1)CC 34a_100000702245_100000210202 [0,2,0,0,0,0|0,0,2]=4 5253 B12R1.71 CCOCc1ccc(cc1)CC 34a_100121572206_100000747183 [0,2,0,0,0,0|0,0,2]=4 5254 B12R1.71 CCOCc1ccc(cc1)CC 7a_100000702245_100000210202 [0,2,0,0,0,0|0,0,2]=4 5255 B12R1.71 CCOCc1ccc(cc1)CCl 34a_100000067286_100000210202 [0,2,0,0,0,0|1,0,1]=4 5256 B12R1.71 CCOCc1ccc(cc1)CCl 7a_100000067286_100000210202 [0,2,0,0,0,0|1,0,1]=4 5257 B12R1.71 CCOCc1ccc(cc1)CN 34a_100015189231_100000210202 [0,2,0,0,0,0|1,0,1]=4 5258 B12R1.71 CCOCc1ccc(cc1)CO 34a_100121572206_100000067286 [0,2,0,0,0,0|0,0,2]=4 5259 B12R1.71 CCOCc1ccc(cc1)OC 34a_100000173359_100000210202 [0,2,0,0,0,0|2,0,0]=4 5260 B12R1.71 CCOCc1ccc(cc1)OC 34a_100121572206_100000742318 [0,2,0,0,0,0|2,0,0]=4 5261 B12R1.71 CCOCc1ccc(cc1)SC 34a_100011215404_100000210202 [0,2,0,0,0,0|2,0,0]=4 5262 B12R1.71 CCOCc1ccc(cc1)SC 34a_100121572206_100000181263 [0,2,0,0,0,0|2,0,0]=4 5263 B12R1.71 CCOCc1ccc(cc1)SC 62a_100000758564_200000210301 [0,2,0,0,0,0|2,0,0]=4 5264 B12R1.71 CCOCc1ccc(cc1)SC 62a_200000210301_100000758564 [0,2,0,0,0,0|2,0,0]=4 5265 B12R1.71 CCOCc1ccc(cc1)SC 7a_100011215404_100000210202 [0,2,0,0,0,0|2,0,0]=4 5266 B12R1.71 CCOCc1ccc(cc1)S[13CH3] 62a_100000758564_200025704644 [0,2,0,0,0,0|2,0,0]=4 5267 B12R1.71 CCOCc1ccc(cc1)S[13CH3] 62a_200025704644_100000758564 [0,2,0,0,0,0|2,0,0]=4 5268 B12R1.71 CCSCc1ccc(cc1)C#N 62a_100000210202_100000184898 [0,2,0,0,0,0|1,0,1]=4 5269 B12R1.71 CCSCc1ccc(cc1)C=O 62a_100000210202_100009816848 [0,2,0,0,0,0|0,0,0]=2 5270 B12R1.71 CCSCc1ccc(cc1)C=O 62a_100009816848_100000210202 [0,2,0,0,0,0|0,0,0]=2 5271 B12R1.71 CCSCc1ccc(cc1)CC 62a_100000210202_100000747183 [0,2,0,0,0,0|0,1,1]=4 5272 B12R1.71 CCSCc1ccc(cc1)CC 62a_100000757233_100000210202 [0,2,0,0,0,0|0,1,1]=4 5273 B12R1.71 CCSCc1ccc(cc1)CO 62a_100000067286_100000210202 [0,2,0,0,0,0|0,0,2]=4 5274 B12R1.71 CCSCc1ccc(cc1)CO 62a_100000210202_100000067286 [0,2,0,0,0,0|0,0,2]=4 5275 B12R1.71 CCSCc1ccc(cc1)OC 62a_100000210202_100000742318 [0,2,0,0,0,0|2,0,0]=4 5276 B12R1.71 CCSCc1ccc(cc1)SC 62a_100000181263_100000210202 [0,2,0,0,0,0|2,0,0]=4 5277 B12R1.71 CCSCc1ccc(cc1)SC 62a_100000210202_100000181263 [0,2,0,0,0,0|2,0,0]=4 5278 B12R1.71 CCc1ccc(cc1)CCNC 2230a_100025712186_200000210301 [0,2,0,0,0,0|1,0,1]=4 5279 B12R1.71 CCc1ccc(cc1)CCNC 34a_100025712186_200000210301 [0,2,0,0,0,0|1,0,1]=4 5280 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 2230a_100025712186_200025704644 [0,2,0,0,0,0|1,0,1]=4 5281 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 34a_100025712186_200025704644 [0,2,0,0,0,0|1,0,1]=4 5282 B12R1.71 CCc1ccc(cc1)CNCF 34a_100000721222_100015361967 [0,2,0,0,0,0|1,0,1]=4 5283 B12R1.71 CCc1ccc(cc1)COCF 34a_100000702245_100015361967 [0,2,0,0,0,0|0,0,2]=4 5284 B12R1.71 CCc1ccc(cc1)COCF 7a_100000702245_100015361967 [0,2,0,0,0,0|0,0,2]=4 5285 B12R1.71 CCc1ccc(cc1)CSCF 62a_100000757233_100015361967 [0,2,0,0,0,0|0,1,1]=4 5286 B12R1.71 CCc1ccc(cc1)CSCF 62a_100015361967_100000747183 [0,2,0,0,0,0|0,1,1]=4 5287 B12R1.71 CCc1ccc(cc1)NCC#N 2230a_100000211069_100011215382 [0,2,0,0,0,0|1,0,1]=4 5288 B12R1.71 CCc1ccc(cc1)NCC=O 2230a_100000211069_200015260668 [0,2,0,0,0,0|0,0,0]=2 5289 B12R1.71 CCc1ccc(cc1)NCC=O 34a_100000211069_200009817547 [0,2,0,0,0,0|0,0,0]=2 5290 B12R1.71 CCc1ccc(cc1)NCCF 2230a_100000211069_100011217306 [0,2,0,0,0,0|1,0,1]=4 5291 B12R1.71 CCc1ccc(cc1)NCCF 34a_100000211069_100011217306 [0,2,0,0,0,0|1,0,1]=4 5292 B12R1.71 CCc1ccc(cc1)NCCO 2230a_100000211069_100000211926 [0,2,0,0,0,0|0,0,2]=4 5293 B12R1.71 CCc1ccc(cc1)NCCO 34a_100000211069_100000211926 [0,2,0,0,0,0|0,0,2]=4 5294 B12R1.71 CCc1ccc(cc1)NCOC 2230a_100000211069_100000766300 [0,2,0,0,0,0|0,0,2]=4 5295 B12R1.71 CCc1ccc(cc1)NCSC 2230a_100000211069_100011218213 [0,2,0,0,0,0|0,1,1]=4 5296 B12R1.71 CCc1ccc(cc1)NCSC 34a_100000211069_100011218213 [0,2,0,0,0,0|0,1,1]=4 5297 B12R1.71 CCc1ccc(cc1)OCC#N 7a_100000211359_100011215382 [0,2,0,0,0,0|1,0,1]=4 5298 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [0,2,0,0,0,0|0,0,0]=2 5299 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [0,2,0,0,0,0|0,0,0]=2 5300 B12R1.71 CCc1ccc(cc1)OCCF 34a_100000211359_100011217306 [0,2,0,0,0,0|1,0,1]=4 5301 B12R1.71 CCc1ccc(cc1)OCCF 7a_100000211359_100011217306 [0,2,0,0,0,0|1,0,1]=4 5302 B12R1.71 CCc1ccc(cc1)OCCO 34a_100000211359_100000211926 [0,2,0,0,0,0|0,0,2]=4 5303 B12R1.71 CCc1ccc(cc1)OCCO 7a_100000211359_100000211926 [0,2,0,0,0,0|0,0,2]=4 5304 B12R1.71 CCc1ccc(cc1)OCSC 34a_100000211359_100011218213 [0,2,0,0,0,0|0,1,1]=4 5305 B12R1.71 CCc1ccc(cc1)SCC#N 62a_100011215382_100011215824 [0,2,0,0,0,0|1,0,1]=4 5306 B12R1.71 CCc1ccc(cc1)SCC#N 62a_100011215824_100011215382 [0,2,0,0,0,0|1,0,1]=4 5307 B12R1.71 CCc1ccc(cc1)SCC=O 62a_100011215824_200015260668 [0,2,0,0,0,0|0,0,0]=2 5308 B12R1.71 CCc1ccc(cc1)SCC=O 62a_200015260668_100011215824 [0,2,0,0,0,0|0,0,0]=2 5309 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011215824_100011217306 [0,2,0,0,0,0|1,0,1]=4 5310 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011217306_100011215824 [0,2,0,0,0,0|1,0,1]=4 5311 B12R1.71 CCc1ccc(cc1)SCCO 62a_100000211926_100011215824 [0,2,0,0,0,0|0,0,2]=4 5312 B12R1.71 CCc1ccc(cc1)SCCO 62a_100011215824_100000211926 [0,2,0,0,0,0|0,0,2]=4 5313 B12R1.71 CCc1ccc(cc1)SCOC 62a_100000766300_100011215824 [0,2,0,0,0,0|0,0,2]=4 5314 B12R1.71 CCc1ccc(cc1)SCOC 62a_100011215824_100000766300 [0,2,0,0,0,0|0,0,2]=4 5315 B12R1.71 CCc1ccc(cc1)SCSC 62a_100011215824_100011218213 [0,2,0,0,0,0|0,1,1]=4 5316 B12R1.71 CCc1ccc(cc1)SCSC 62a_100011218213_100011215824 [0,2,0,0,0,0|0,1,1]=4 5317 B12R1.71 CCc1ccc(cn1)SCC=O 62a_100009820025_200015260668 [0,2,0,0,0,0|1,0,0]=3 5318 B12R1.71 CCc1ccc(cn1)SCC=O 62a_200015260668_100009820025 [0,2,0,0,0,0|1,0,0]=3 5319 B12R1.71 CCc1ccc(nc1)SCC=O 62a_100009843584_200015260668 [0,2,0,0,0,0|1,0,0]=3 5320 B12R1.71 CCc1ccc(nc1)SCC=O 62a_200015260668_100009843584 [0,2,0,0,0,0|1,0,0]=3 5321 B12R1.71 CCc1cnc(nc1)SCC=O 62a_100000033099_200015260668 [0,2,0,0,0,0|2,0,0]=4 5322 B12R1.71 CCc1cnc(nc1)SCC=O 62a_200015260668_100000033099 [0,2,0,0,0,0|2,0,0]=4 5323 B12R1.71 CNCCc1ccc(cc1)C#N 2230a_100015189369_200000210301 [0,2,0,0,0,0|1,0,1]=4 5324 B12R1.71 CNCCc1ccc(cc1)C#N 2230a_106832991635_100012161189 [0,2,0,0,0,0|1,0,1]=4 5325 B12R1.71 CNCCc1ccc(cc1)C#N 34a_100015189369_200000210301 [0,2,0,0,0,0|1,0,1]=4 5326 B12R1.71 CNCCc1ccc(cc1)C#N 34a_100102657272_100012161189 [0,2,0,0,0,0|1,0,1]=4 5327 B12R1.71 CNCCc1ccc(cc1)C#N 7a_106832991635_100012161189 [0,2,0,0,0,0|1,0,1]=4 5328 B12R1.71 CNCCc1ccc(cc1)OC 2230a_100000210796_200000210301 [0,2,0,0,0,0|2,0,0]=4 5329 B12R1.71 CNCCc1ccc(cc1)OC 2230a_106832991635_100011713689 [0,2,0,0,0,0|2,0,0]=4 5330 B12R1.71 CNCCc1ccc(cc1)OC 270004a_106832991635_100011242372 [0,2,0,0,0,0|2,0,0]=4 5331 B12R1.71 CNCCc1ccc(cc1)OC 34a_100000210796_200000210301 [0,2,0,0,0,0|2,0,0]=4 5332 B12R1.71 CNCCc1ccc(cc1)OC 34a_100016989440_200000210301 [0,2,0,0,0,0|2,0,0]=4 5333 B12R1.71 CNCCc1ccc(cc1)OC 34a_100102657272_100000184700 [0,2,0,0,0,0|2,0,0]=4 5334 B12R1.71 CNCCc1ccc(cc1)OC 7a_106832991635_100000184700 [0,2,0,0,0,0|2,0,0]=4 5335 B12R1.71 CNCCc1ccc(cc1)O[13CH3] 34a_100016989440_200025704644 [0,2,0,0,0,0|2,0,0]=4 5336 B12R1.71 CNCCc1ccc(cc1)SC 62a_100000752880_200000210301 [0,2,0,0,0,0|2,0,0]=4 5337 B12R1.71 CNCCc1ccc(cc1)SC 62a_200000210301_100000752880 [0,2,0,0,0,0|2,0,0]=4 5338 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_100000752880_200025704644 [0,2,0,0,0,0|2,0,0]=4 5339 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000752880 [0,2,0,0,0,0|2,0,0]=4 5340 B12R1.71 CNc1ccc(cc1)CCSC 2230a_100000750819_200000210301 [0,2,0,0,0,0|2,0,0]=4 5341 B12R1.71 CNc1ccc(cc1)CCSC 34a_100000750819_200000210301 [0,2,0,0,0,0|2,0,0]=4 5342 B12R1.71 CNc1ccc(cc1)CCSC 7a_100000750819_200000210301 [0,2,0,0,0,0|2,0,0]=4 5343 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [0,2,0,0,0,0|1,0,0]=3 5344 B12R1.71 CNc1ccc(cc1)OCCF 34a_100000182112_100011217306 [0,2,0,0,0,0|2,0,0]=4 5345 B12R1.71 CNc1ccc(cc1)OCCF 34a_100012282086_200000210301 [0,2,0,0,0,0|2,0,0]=4 5346 B12R1.71 CNc1ccc(cc1)OCCO 2230a_100000754363_200000210301 [0,2,0,0,0,0|2,0,0]=4 5347 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000182112_100000211926 [0,2,0,0,0,0|2,0,0]=4 5348 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000754363_200000210301 [0,2,0,0,0,0|2,0,0]=4 5349 B12R1.71 CNc1ccc(cc1)OCSC 34a_100000182112_100011218213 [0,2,0,0,0,0|2,0,0]=4 5350 B12R1.71 CNc1ccc(cc1)SCC=O 62a_100000743151_200015260668 [0,2,0,0,0,0|1,0,0]=3 5351 B12R1.71 CNc1ccc(cc1)SCC=O 62a_200015260668_100000743151 [0,2,0,0,0,0|1,0,0]=3 5352 B12R1.71 CNc1ccc(cc1)SCCF 62a_100000743151_100011217306 [0,2,0,0,0,0|2,0,0]=4 5353 B12R1.71 CNc1ccc(cc1)SCCF 62a_100011217306_100000743151 [0,2,0,0,0,0|2,0,0]=4 5354 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000211926_100000743151 [0,2,0,0,0,0|2,0,0]=4 5355 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000743151_100000211926 [0,2,0,0,0,0|2,0,0]=4 5356 B12R1.71 CNc1ccc(cc1)SCOC 62a_100000743151_100000766300 [0,2,0,0,0,0|2,0,0]=4 5357 B12R1.71 CNc1ccc(cc1)SCOC 62a_100000766300_100000743151 [0,2,0,0,0,0|2,0,0]=4 5358 B12R1.71 CNc1ccc(cc1)SCSC 62a_100000743151_100011218213 [0,2,0,0,0,0|2,0,0]=4 5359 B12R1.71 CNc1ccc(cc1)SCSC 62a_100011218213_100000743151 [0,2,0,0,0,0|2,0,0]=4 5360 B12R1.71 CNc1ccc(cn1)SCC=O 62a_100000741341_200015260668 [0,2,0,0,0,0|2,0,0]=4 5361 B12R1.71 CNc1ccc(cn1)SCC=O 62a_200015260668_100000741341 [0,2,0,0,0,0|2,0,0]=4 5362 B12R1.71 CNc1ccc(nc1)SCC=O 62a_100000764248_200015260668 [0,2,0,0,0,0|2,0,0]=4 5363 B12R1.71 CNc1ccc(nc1)SCC=O 62a_200015260668_100000764248 [0,2,0,0,0,0|2,0,0]=4 5364 B12R1.71 COC=Cc1ccc(cc1)SC 62a_100020630460_200000210301 [0,2,0,0,0,0|1,0,1]=4 5365 B12R1.71 COC=Cc1ccc(cc1)SC 62a_200000210301_100020630460 [0,2,0,0,0,0|1,0,1]=4 5366 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_100020630460_200025704644 [0,2,0,0,0,0|1,0,1]=4 5367 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100020630460 [0,2,0,0,0,0|1,0,1]=4 5368 B12R1.71 COCCc1ccc(cc1)C#N 34a_100011219507_200000210301 [0,2,0,0,0,0|1,0,1]=4 5369 B12R1.71 COCCc1ccc(cc1)C#N 34a_100138415774_100012161189 [0,2,0,0,0,0|1,0,1]=4 5370 B12R1.71 COCCc1ccc(cc1)C#N 7a_100011219507_200000210301 [0,2,0,0,0,0|1,0,1]=4 5371 B12R1.71 COCCc1ccc(cc1)OC 34a_100000211638_200000210301 [0,2,0,0,0,0|2,0,0]=4 5372 B12R1.71 COCCc1ccc(cc1)OC 34a_100011219623_200000210301 [0,2,0,0,0,0|2,0,0]=4 5373 B12R1.71 COCCc1ccc(cc1)OC 34a_100138415774_100000184700 [0,2,0,0,0,0|2,0,0]=4 5374 B12R1.71 COCCc1ccc(cc1)OC 7a_100000211638_200000210301 [0,2,0,0,0,0|2,0,0]=4 5375 B12R1.71 COCCc1ccc(cc1)OC 7a_100011219623_200000210301 [0,2,0,0,0,0|2,0,0]=4 5376 B12R1.71 COCCc1ccc(cc1)O[13CH3] 34a_100000211638_200025704644 [0,2,0,0,0,0|2,0,0]=4 5377 B12R1.71 COCCc1ccc(cc1)O[13CH3] 7a_100000211638_200025704644 [0,2,0,0,0,0|2,0,0]=4 5378 B12R1.71 COCCc1ccc(cc1)SC 62a_100000739703_200000210301 [0,2,0,0,0,0|2,0,0]=4 5379 B12R1.71 COCCc1ccc(cc1)SC 62a_200000210301_100000739703 [0,2,0,0,0,0|2,0,0]=4 5380 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_100000739703_200025704644 [0,2,0,0,0,0|2,0,0]=4 5381 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000739703 [0,2,0,0,0,0|2,0,0]=4 5382 B12R1.71 COCNc1ccc(cc1)CO 2230a_100011215238_100000766300 [0,2,0,0,0,0|0,0,2]=4 5383 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [0,2,0,0,0,0|2,0,0]=4 5384 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [0,2,0,0,0,0|2,0,0]=4 5385 B12R1.71 COCOc1ccc(cc1)SC 62a_100012265687_200000210301 [0,2,0,0,0,0|2,0,0]=4 5386 B12R1.71 COCOc1ccc(cc1)SC 62a_200000210301_100012265687 [0,2,0,0,0,0|2,0,0]=4 5387 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_100012265687_200025704644 [0,2,0,0,0,0|2,0,0]=4 5388 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012265687 [0,2,0,0,0,0|2,0,0]=4 5389 B12R1.71 COCSc1ccc(cc1)C#N 62a_100000766300_100000184291 [0,2,0,0,0,0|1,0,1]=4 5390 B12R1.71 COCSc1ccc(cc1)C=O 62a_100000188517_100000766300 [0,2,0,0,0,0|0,0,0]=2 5391 B12R1.71 COCSc1ccc(cc1)C=O 62a_100000766300_100000188517 [0,2,0,0,0,0|0,0,0]=2 5392 B12R1.71 COCSc1ccc(cc1)CF 62a_100000766300_100010268989 [0,2,0,0,0,0|1,0,1]=4 5393 B12R1.71 COCSc1ccc(cc1)CF 62a_100010268989_100000766300 [0,2,0,0,0,0|1,0,1]=4 5394 B12R1.71 COCSc1ccc(cc1)CN 62a_100000766300_100016989417 [0,2,0,0,0,0|1,0,1]=4 5395 B12R1.71 COCSc1ccc(cc1)CN 62a_100016989417_100000766300 [0,2,0,0,0,0|1,0,1]=4 5396 B12R1.71 COCSc1ccc(cc1)CO 62a_100000690907_100000766300 [0,2,0,0,0,0|0,0,2]=4 5397 B12R1.71 COCSc1ccc(cc1)CO 62a_100000766300_100000690907 [0,2,0,0,0,0|0,0,2]=4 5398 B12R1.71 COCSc1ccc(cc1)NN 62a_100000766300_100016988836 [0,2,0,0,0,0|2,0,0]=4 5399 B12R1.71 COCSc1ccc(cc1)NN 62a_100016988836_100000766300 [0,2,0,0,0,0|2,0,0]=4 5400 B12R1.71 COCSc1ccc(cc1)OC 62a_100000766300_100000171711 [0,2,0,0,0,0|2,0,0]=4 5401 B12R1.71 COCSc1ccc(cc1)SC 62a_100000766300_100011263217 [0,2,0,0,0,0|2,0,0]=4 5402 B12R1.71 COCSc1ccc(cc1)SC 62a_100011263217_100000766300 [0,2,0,0,0,0|2,0,0]=4 5403 B12R1.71 COCSc1ccc(cn1)C=O 62a_100000766300_100000766901 [0,2,0,0,0,0|1,0,0]=3 5404 B12R1.71 COCSc1ccc(cn1)C=O 62a_100000766901_100000766300 [0,2,0,0,0,0|1,0,0]=3 5405 B12R1.71 COCSc1ccc(nc1)C=O 62a_100000754260_100000766300 [0,2,0,0,0,0|1,0,0]=3 5406 B12R1.71 COCSc1ccc(nc1)C=O 62a_100000766300_100000754260 [0,2,0,0,0,0|1,0,0]=3 5407 B12R1.71 COCSc1ccc(nn1)C=O 62a_100000044651_100000766300 [0,2,0,0,0,0|2,0,0]=4 5408 B12R1.71 COCSc1ccc(nn1)C=O 62a_100000766300_100000044651 [0,2,0,0,0,0|2,0,0]=4 5409 B12R1.71 COCSc1cnc(cn1)C=O 62a_100000766300_100012001714 [0,2,0,0,0,0|2,0,0]=4 5410 B12R1.71 COCSc1cnc(cn1)C=O 62a_100012001714_100000766300 [0,2,0,0,0,0|2,0,0]=4 5411 B12R1.71 COCSc1ncc(cn1)C=O 62a_100000070856_100000766300 [0,2,0,0,0,0|2,0,0]=4 5412 B12R1.71 COCSc1ncc(cn1)C=O 62a_100000766300_100000070856 [0,2,0,0,0,0|2,0,0]=4 5413 B12R1.71 COc1ccc(cc1)CCC#N 34a_200011217972_200000210301 [0,2,0,0,0,0|2,0,0]=4 5414 B12R1.71 COc1ccc(cc1)CCC#N 7a_200011217972_200000210301 [0,2,0,0,0,0|2,0,0]=4 5415 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [0,2,0,0,0,0|2,0,0]=4 5416 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [0,2,0,0,0,0|2,0,0]=4 5417 B12R1.71 COc1ccc(cc1)CCN[13CH3] 2230a_100000210796_200025704644 [0,2,0,0,0,0|2,0,0]=4 5418 B12R1.71 COc1ccc(cc1)CCN[13CH3] 34a_100000210796_200025704644 [0,2,0,0,0,0|2,0,0]=4 5419 B12R1.71 COc1ccc(cc1)CCO[13CH3] 34a_100011219623_200025704644 [0,2,0,0,0,0|2,0,0]=4 5420 B12R1.71 COc1ccc(cc1)CCO[13CH3] 7a_100011219623_200025704644 [0,2,0,0,0,0|2,0,0]=4 5421 B12R1.71 COc1ccc(cc1)CCSC 62a_100011713689_200000210301 [0,2,0,0,0,0|2,0,0]=4 5422 B12R1.71 COc1ccc(cc1)CCSC 62a_200000210301_100011713689 [0,2,0,0,0,0|2,0,0]=4 5423 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_100011713689_200025704644 [0,2,0,0,0,0|2,0,0]=4 5424 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713689 [0,2,0,0,0,0|2,0,0]=4 5425 B12R1.71 COc1ccc(cc1)CNCF 34a_100000185587_100015361967 [0,2,0,0,0,0|2,0,0]=4 5426 B12R1.71 COc1ccc(cc1)COCF 34a_100000173359_100015361967 [0,2,0,0,0,0|2,0,0]=4 5427 B12R1.71 COc1ccc(cc1)CSCF 62a_100015361967_100000742318 [0,2,0,0,0,0|2,0,0]=4 5428 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [0,2,0,0,0,0|1,0,0]=3 5429 B12R1.71 COc1ccc(cc1)NCCF 34a_100000184247_100011217306 [0,2,0,0,0,0|2,0,0]=4 5430 B12R1.71 COc1ccc(cc1)NCCO 34a_100000184247_100000211926 [0,2,0,0,0,0|2,0,0]=4 5431 B12R1.71 COc1ccc(cc1)NCSC 34a_100000184247_100011218213 [0,2,0,0,0,0|2,0,0]=4 5432 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,2,0,0,0,0|1,0,0]=3 5433 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [0,2,0,0,0,0|2,0,0]=4 5434 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [0,2,0,0,0,0|2,0,0]=4 5435 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [0,2,0,0,0,0|2,0,0]=4 5436 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [0,2,0,0,0,0|1,0,0]=3 5437 B12R1.71 COc1ccc(cc1)SCCF 62a_100011217306_100000171711 [0,2,0,0,0,0|2,0,0]=4 5438 B12R1.71 COc1ccc(cc1)SCCO 62a_100000211926_100000171711 [0,2,0,0,0,0|2,0,0]=4 5439 B12R1.71 COc1ccc(cc1)SCSC 62a_100011218213_100000171711 [0,2,0,0,0,0|2,0,0]=4 5440 B12R1.71 COc1ccc(cn1)OCC=O 34a_100011934560_200009817547 [0,2,0,0,0,0|2,0,0]=4 5441 B12R1.71 COc1ccc(cn1)SCC=O 62a_100000047065_200015260668 [0,2,0,0,0,0|2,0,0]=4 5442 B12R1.71 COc1ccc(cn1)SCC=O 62a_200015260668_100000047065 [0,2,0,0,0,0|2,0,0]=4 5443 B12R1.71 COc1ccc(nc1)OCC=O 34a_100012002028_200009817547 [0,2,0,0,0,0|2,0,0]=4 5444 B12R1.71 COc1ccc(nc1)SCC=O 62a_100000755202_200015260668 [0,2,0,0,0,0|2,0,0]=4 5445 B12R1.71 COc1ccc(nc1)SCC=O 62a_200015260668_100000744180 [0,2,0,0,0,0|2,0,0]=4 5446 B12R1.71 CSCCc1ccc(cc1)C#N 62a_200000210301_100012161189 [0,2,0,0,0,0|1,0,1]=4 5447 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 2230a_100000750819_200025704644 [0,2,0,0,0,0|2,0,0]=4 5448 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 34a_100000750819_200025704644 [0,2,0,0,0,0|2,0,0]=4 5449 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 7a_100000750819_200025704644 [0,2,0,0,0,0|2,0,0]=4 5450 B12R1.71 CSCNc1ccc(cc1)C#N 34a_100000185469_100011218213 [0,2,0,0,0,0|1,0,1]=4 5451 B12R1.71 CSCNc1ccc(cc1)CO 2230a_100011215238_100011218213 [0,2,0,0,0,0|0,0,2]=4 5452 B12R1.71 CSCNc1ccc(cc1)CO 34a_100011215238_100011218213 [0,2,0,0,0,0|0,0,2]=4 5453 B12R1.71 CSCNc1ccc(cc1)SC 34a_100000212337_100011218213 [0,2,0,0,0,0|2,0,0]=4 5454 B12R1.71 CSCOc1ccc(cc1)C#N 34a_100000210344_100011218213 [0,2,0,0,0,0|1,0,1]=4 5455 B12R1.71 CSCOc1ccc(cc1)CN 34a_100000185549_100011218213 [0,2,0,0,0,0|1,0,1]=4 5456 B12R1.71 CSCOc1ccc(cc1)CO 34a_100000211755_100011218213 [0,2,0,0,0,0|0,0,2]=4 5457 B12R1.71 CSCOc1ccc(cc1)SC 34a_100000211864_100011218213 [0,2,0,0,0,0|2,0,0]=4 5458 B12R1.71 CSCSc1ccc(cc1)C#N 62a_100011218213_100000184291 [0,2,0,0,0,0|1,0,1]=4 5459 B12R1.71 CSCSc1ccc(cc1)C=O 62a_100000188517_100011218213 [0,2,0,0,0,0|0,0,0]=2 5460 B12R1.71 CSCSc1ccc(cc1)C=O 62a_100011218213_100000188517 [0,2,0,0,0,0|0,0,0]=2 5461 B12R1.71 CSCSc1ccc(cc1)CF 62a_100010268989_100011218213 [0,2,0,0,0,0|1,0,1]=4 5462 B12R1.71 CSCSc1ccc(cc1)CF 62a_100011218213_100010268989 [0,2,0,0,0,0|1,0,1]=4 5463 B12R1.71 CSCSc1ccc(cc1)CN 62a_100011218213_100016989417 [0,2,0,0,0,0|1,0,1]=4 5464 B12R1.71 CSCSc1ccc(cc1)CN 62a_100016989417_100011218213 [0,2,0,0,0,0|1,0,1]=4 5465 B12R1.71 CSCSc1ccc(cc1)CO 62a_100000690907_100011218213 [0,2,0,0,0,0|0,0,2]=4 5466 B12R1.71 CSCSc1ccc(cc1)CO 62a_100011218213_100000690907 [0,2,0,0,0,0|0,0,2]=4 5467 B12R1.71 CSCSc1ccc(cc1)NN 62a_100011218213_100016988836 [0,2,0,0,0,0|2,0,0]=4 5468 B12R1.71 CSCSc1ccc(cc1)NN 62a_100016988836_100011218213 [0,2,0,0,0,0|2,0,0]=4 5469 B12R1.71 CSCSc1ccc(cc1)SC 62a_100011218213_100011263217 [0,2,0,0,0,0|2,0,0]=4 5470 B12R1.71 CSCSc1ccc(cc1)SC 62a_100011263217_100011218213 [0,2,0,0,0,0|2,0,0]=4 5471 B12R1.71 CSCSc1ccc(cn1)C=O 62a_100000766901_100011218213 [0,2,0,0,0,0|1,0,0]=3 5472 B12R1.71 CSCSc1ccc(cn1)C=O 62a_100011218213_100000766901 [0,2,0,0,0,0|1,0,0]=3 5473 B12R1.71 CSCSc1ccc(nc1)C=O 62a_100000754260_100011218213 [0,2,0,0,0,0|1,0,0]=3 5474 B12R1.71 CSCSc1ccc(nc1)C=O 62a_100011218213_100000754260 [0,2,0,0,0,0|1,0,0]=3 5475 B12R1.71 CSCSc1ccc(nn1)C=O 62a_100000044651_100011218213 [0,2,0,0,0,0|2,0,0]=4 5476 B12R1.71 CSCSc1ccc(nn1)C=O 62a_100011218213_100000044651 [0,2,0,0,0,0|2,0,0]=4 5477 B12R1.71 CSCSc1cnc(cn1)C=O 62a_100011218213_100012001714 [0,2,0,0,0,0|2,0,0]=4 5478 B12R1.71 CSCSc1cnc(cn1)C=O 62a_100012001714_100011218213 [0,2,0,0,0,0|2,0,0]=4 5479 B12R1.71 CSCSc1ncc(cn1)C=O 62a_100000070856_100011218213 [0,2,0,0,0,0|2,0,0]=4 5480 B12R1.71 CSCSc1ncc(cn1)C=O 62a_100011218213_100000070856 [0,2,0,0,0,0|2,0,0]=4 5481 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [0,2,0,0,0,0|1,0,0]=3 5482 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [0,2,0,0,0,0|1,0,0]=3 5483 B12R1.71 CSc1ccc(cc1)CCC#N 62a_100011216407_200000210301 [0,2,0,0,0,0|2,0,0]=4 5484 B12R1.71 CSc1ccc(cc1)CCC#N 62a_200000210301_100011216407 [0,2,0,0,0,0|2,0,0]=4 5485 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [0,2,0,0,0,0|1,0,0]=3 5486 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [0,2,0,0,0,0|1,0,0]=3 5487 B12R1.71 CSc1ccc(cc1)CCCN 62a_100011297623_200000210301 [0,2,0,0,0,0|2,0,0]=4 5488 B12R1.71 CSc1ccc(cc1)CCCN 62a_200000210301_100011297623 [0,2,0,0,0,0|2,0,0]=4 5489 B12R1.71 CSc1ccc(cc1)CCCO 62a_100011709247_200000210301 [0,2,0,0,0,0|2,0,0]=4 5490 B12R1.71 CSc1ccc(cc1)CCCO 62a_200000210301_100011709247 [0,2,0,0,0,0|2,0,0]=4 5491 B12R1.71 CSc1ccc(cc1)CNCF 34a_100000174980_100015361967 [0,2,0,0,0,0|2,0,0]=4 5492 B12R1.71 CSc1ccc(cc1)COCF 34a_100011215404_100015361967 [0,2,0,0,0,0|2,0,0]=4 5493 B12R1.71 CSc1ccc(cc1)COCF 7a_100011215404_100015361967 [0,2,0,0,0,0|2,0,0]=4 5494 B12R1.71 CSc1ccc(cc1)CSCF 62a_100000181263_100015361967 [0,2,0,0,0,0|2,0,0]=4 5495 B12R1.71 CSc1ccc(cc1)CSCF 62a_100015361967_100000181263 [0,2,0,0,0,0|2,0,0]=4 5496 B12R1.71 CSc1ccc(cc1)NCC=O 34a_100000212337_200009817547 [0,2,0,0,0,0|1,0,0]=3 5497 B12R1.71 CSc1ccc(cc1)NCCF 34a_100000212337_100011217306 [0,2,0,0,0,0|2,0,0]=4 5498 B12R1.71 CSc1ccc(cc1)NCCO 34a_100000212337_100000211926 [0,2,0,0,0,0|2,0,0]=4 5499 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [0,2,0,0,0,0|1,0,0]=3 5500 B12R1.71 CSc1ccc(cc1)OCCF 34a_100000211864_100011217306 [0,2,0,0,0,0|2,0,0]=4 5501 B12R1.71 CSc1ccc(cc1)OCCF 62a_100012347556_200000210301 [0,2,0,0,0,0|2,0,0]=4 5502 B12R1.71 CSc1ccc(cc1)OCCF 62a_200000210301_100012347556 [0,2,0,0,0,0|2,0,0]=4 5503 B12R1.71 CSc1ccc(cc1)OCCN 62a_100000746992_200000210301 [0,2,0,0,0,0|2,0,0]=4 5504 B12R1.71 CSc1ccc(cc1)OCCN 62a_200000210301_100000746992 [0,2,0,0,0,0|2,0,0]=4 5505 B12R1.71 CSc1ccc(cc1)OCCO 34a_100000211864_100000211926 [0,2,0,0,0,0|2,0,0]=4 5506 B12R1.71 CSc1ccc(cc1)OCCO 62a_100000686261_200000210301 [0,2,0,0,0,0|2,0,0]=4 5507 B12R1.71 CSc1ccc(cc1)OCCO 62a_200000210301_100000686261 [0,2,0,0,0,0|2,0,0]=4 5508 B12R1.71 CSc1ccc(cc1)SCC=O 62a_100011263217_200015260668 [0,2,0,0,0,0|1,0,0]=3 5509 B12R1.71 CSc1ccc(cc1)SCC=O 62a_200015260668_100011263217 [0,2,0,0,0,0|1,0,0]=3 5510 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011217306_100011263217 [0,2,0,0,0,0|2,0,0]=4 5511 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011263217_100011217306 [0,2,0,0,0,0|2,0,0]=4 5512 B12R1.71 CSc1ccc(cc1)SCCN 62a_100000184645_200000210301 [0,2,0,0,0,0|2,0,0]=4 5513 B12R1.71 CSc1ccc(cc1)SCCN 62a_200000210301_100000184645 [0,2,0,0,0,0|2,0,0]=4 5514 B12R1.71 CSc1ccc(cc1)SCCO 62a_100000211926_100011263217 [0,2,0,0,0,0|2,0,0]=4 5515 B12R1.71 CSc1ccc(cc1)SCCO 62a_100011263217_100000211926 [0,2,0,0,0,0|2,0,0]=4 5516 B12R1.71 CSc1ccc(cn1)SCC=O 62a_100011408404_200015260668 [0,2,0,0,0,0|2,0,0]=4 5517 B12R1.71 CSc1ccc(cn1)SCC=O 62a_200015260668_100011408404 [0,2,0,0,0,0|2,0,0]=4 5518 B12R1.71 CSc1ccc(nc1)SCC=O 62a_100009820866_200015260668 [0,2,0,0,0,0|2,0,0]=4 5519 B12R1.71 CSc1ccc(nc1)SCC=O 62a_200015260668_100009820866 [0,2,0,0,0,0|2,0,0]=4 5520 B12R1.71 FCCSc1ccc(cc1)CF 62a_100010268989_100011217306 [0,2,0,0,0,0|1,0,1]=4 5521 B12R1.71 FCCSc1ccc(cc1)CF 62a_100011217306_100010268989 [0,2,0,0,0,0|1,0,1]=4 5522 B12R1.71 FCOCc1ccc(cc1)CBr 34a_100012353999_100015361967 [0,2,0,0,0,0|1,0,1]=4 5523 B12R1.71 FCOCc1ccc(cc1)CBr 7a_100012353999_100015361967 [0,2,0,0,0,0|1,0,1]=4 5524 B12R1.71 FCOCc1ccc(cc1)CCl 34a_100000067286_100015361967 [0,2,0,0,0,0|1,0,1]=4 5525 B12R1.71 FCOCc1ccc(cc1)CCl 7a_100000067286_100015361967 [0,2,0,0,0,0|1,0,1]=4 5526 B12R1.71 N#CCSc1ccc(cc1)C=O 62a_100000188517_100011215382 [0,2,0,0,0,0|0,0,1]=3 5527 B12R1.71 N#CCSc1ccc(cc1)C=O 62a_100011215382_100000188517 [0,2,0,0,0,0|0,0,1]=3 5528 B12R1.71 N#CCSc1ccc(cn1)C=O 62a_100000766901_100011215382 [0,2,0,0,0,0|1,0,1]=4 5529 B12R1.71 N#CCSc1ccc(cn1)C=O 62a_100011215382_100000766901 [0,2,0,0,0,0|1,0,1]=4 5530 B12R1.71 N#CCSc1ccc(nc1)C=O 62a_100000754260_100011215382 [0,2,0,0,0,0|1,0,1]=4 5531 B12R1.71 N#CCSc1ccc(nc1)C=O 62a_100011215382_100000754260 [0,2,0,0,0,0|1,0,1]=4 5532 B12R1.71 N#Cc1ccc(cc1)CNCF 34a_100015207190_100015361967 [0,2,0,0,0,0|1,0,1]=4 5533 B12R1.71 N#Cc1ccc(cc1)COCF 34a_100000238739_100015361967 [0,2,0,0,0,0|1,0,1]=4 5534 B12R1.71 N#Cc1ccc(cc1)COCF 7a_100000238739_100015361967 [0,2,0,0,0,0|1,0,1]=4 5535 B12R1.71 N#Cc1ccc(cc1)CSCF 62a_100015361967_100000184898 [0,2,0,0,0,0|1,0,1]=4 5536 B12R1.71 N#Cc1ccc(cc1)NCC=O 34a_100000185469_200009817547 [0,2,0,0,0,0|1,0,1]=4 5537 B12R1.71 N#Cc1ccc(cc1)NCCF 34a_100000185469_100011217306 [0,2,0,0,0,0|1,0,1]=4 5538 B12R1.71 N#Cc1ccc(cc1)NCCO 34a_100000185469_100000211926 [0,2,0,0,0,0|1,0,1]=4 5539 B12R1.71 N#Cc1ccc(cc1)OCC=O 34a_100000210344_200009817547 [0,2,0,0,0,0|1,0,1]=4 5540 B12R1.71 N#Cc1ccc(cc1)OCC=O 7a_100000210344_200015260668 [0,2,0,0,0,0|1,0,1]=4 5541 B12R1.71 N#Cc1ccc(cc1)OCCF 34a_100000210344_100011217306 [0,2,0,0,0,0|1,0,1]=4 5542 B12R1.71 N#Cc1ccc(cc1)OCCF 7a_100000210344_100011217306 [0,2,0,0,0,0|1,0,1]=4 5543 B12R1.71 N#Cc1ccc(cc1)OCCO 34a_100000210344_100000211926 [0,2,0,0,0,0|1,0,1]=4 5544 B12R1.71 N#Cc1ccc(cc1)OCCO 7a_100000210344_100000211926 [0,2,0,0,0,0|1,0,1]=4 5545 B12R1.71 N#Cc1ccc(cc1)SCC=O 62a_200015260668_100000184291 [0,2,0,0,0,0|1,0,1]=4 5546 B12R1.71 N#Cc1ccc(cc1)SCCF 62a_100011217306_100000184291 [0,2,0,0,0,0|1,0,1]=4 5547 B12R1.71 N#Cc1ccc(cc1)SCCO 62a_100000211926_100000184291 [0,2,0,0,0,0|1,0,1]=4 5548 B12R1.71 NCc1ccc(cc1)COCF 34a_100015189231_100015361967 [0,2,0,0,0,0|1,0,1]=4 5549 B12R1.71 NCc1ccc(cc1)OCC=O 34a_100000185549_200009817547 [0,2,0,0,0,0|1,0,0]=3 5550 B12R1.71 NCc1ccc(cc1)OCCF 34a_100000185549_100011217306 [0,2,0,0,0,0|1,0,1]=4 5551 B12R1.71 NCc1ccc(cc1)OCCO 34a_100000185549_100000211926 [0,2,0,0,0,0|1,0,1]=4 5552 B12R1.71 NCc1ccc(cc1)SCC=O 62a_100016989417_200015260668 [0,2,0,0,0,0|1,0,0]=3 5553 B12R1.71 NCc1ccc(cc1)SCC=O 62a_200015260668_100016989417 [0,2,0,0,0,0|1,0,0]=3 5554 B12R1.71 NCc1ccc(cc1)SCCF 62a_100011217306_100016989417 [0,2,0,0,0,0|1,0,1]=4 5555 B12R1.71 NCc1ccc(cc1)SCCF 62a_100016989417_100011217306 [0,2,0,0,0,0|1,0,1]=4 5556 B12R1.71 NCc1ccc(cc1)SCCO 62a_100000211926_100016989417 [0,2,0,0,0,0|1,0,1]=4 5557 B12R1.71 NCc1ccc(cc1)SCCO 62a_100016989417_100000211926 [0,2,0,0,0,0|1,0,1]=4 5558 B12R1.71 NCc1ccc(cn1)OCC=O 34a_100020605196_200009817547 [0,2,0,0,0,0|2,0,0]=4 5559 B12R1.71 NCc1ccc(cn1)SCC=O 62a_100015188789_200015260668 [0,2,0,0,0,0|2,0,0]=4 5560 B12R1.71 NCc1ccc(cn1)SCC=O 62a_200015260668_100015188789 [0,2,0,0,0,0|2,0,0]=4 5561 B12R1.71 NCc1ccc(nc1)OCC=O 34a_100000757128_200009817547 [0,2,0,0,0,0|2,0,0]=4 5562 B12R1.71 NCc1ccc(nc1)SCC=O 62a_100000735879_200015260668 [0,2,0,0,0,0|2,0,0]=4 5563 B12R1.71 NCc1ccc(nc1)SCC=O 62a_200015260668_100000735879 [0,2,0,0,0,0|2,0,0]=4 5564 B12R1.71 NNc1ccc(cc1)SCC=O 62a_100016988836_200015260668 [0,2,0,0,0,0|2,0,0]=4 5565 B12R1.71 NNc1ccc(cc1)SCC=O 62a_200015260668_100016988836 [0,2,0,0,0,0|2,0,0]=4 5566 B12R1.71 NNc1ccc(cc1)SCCF 62a_100011217306_100016988836 [0,2,0,0,0,0|2,0,0]=4 5567 B12R1.71 NNc1ccc(cc1)SCCF 62a_100016988836_100011217306 [0,2,0,0,0,0|2,0,0]=4 5568 B12R1.71 NNc1ccc(cc1)SCCO 62a_100000211926_100016988836 [0,2,0,0,0,0|2,0,0]=4 5569 B12R1.71 NNc1ccc(cc1)SCCO 62a_100016988836_100000211926 [0,2,0,0,0,0|2,0,0]=4 5570 B12R1.71 O=CCNc1ccc(cc1)CO 2230a_100011215238_200015260668 [0,2,0,0,0,0|1,0,0]=3 5571 B12R1.71 O=CCNc1ccc(cc1)CO 34a_100011215238_200009817547 [0,2,0,0,0,0|1,0,0]=3 5572 B12R1.71 O=CCOc1ccc(cc1)CO 34a_100000211755_200009817547 [0,2,0,0,0,0|1,0,0]=3 5573 B12R1.71 O=CCOc1ccc(nc1)CO 34a_103436540053_200009817547 [0,2,0,0,0,0|2,0,0]=4 5574 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_100000188517_200015260668 [0,2,0,0,0,0|0,0,1]=3 5575 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_200015260668_100000188517 [0,2,0,0,0,0|0,0,1]=3 5576 B12R1.71 O=CCSc1ccc(cc1)CF 62a_100010268989_200015260668 [0,2,0,0,0,0|1,0,0]=3 5577 B12R1.71 O=CCSc1ccc(cc1)CF 62a_200015260668_100010268989 [0,2,0,0,0,0|1,0,0]=3 5578 B12R1.71 O=CCSc1ccc(cc1)CO 62a_100000690907_200015260668 [0,2,0,0,0,0|1,0,0]=3 5579 B12R1.71 O=CCSc1ccc(cc1)CO 62a_200015260668_100000690907 [0,2,0,0,0,0|1,0,0]=3 5580 B12R1.71 O=CCSc1ccc(cn1)C=O 62a_100000766901_200015260668 [0,2,0,0,0,0|1,0,1]=4 5581 B12R1.71 O=CCSc1ccc(cn1)C=O 62a_200015260668_100000766901 [0,2,0,0,0,0|1,0,1]=4 5582 B12R1.71 O=CCSc1ccc(cn1)CO 62a_100009816760_200015260668 [0,2,0,0,0,0|2,0,0]=4 5583 B12R1.71 O=CCSc1ccc(cn1)CO 62a_200015260668_100009816760 [0,2,0,0,0,0|2,0,0]=4 5584 B12R1.71 O=CCSc1ccc(nc1)C=O 62a_100000754260_200015260668 [0,2,0,0,0,0|1,0,1]=4 5585 B12R1.71 O=CCSc1ccc(nc1)C=O 62a_200015260668_100000754260 [0,2,0,0,0,0|1,0,1]=4 5586 B12R1.71 O=CCSc1ccc(nc1)CO 62a_100000754261_200015260668 [0,2,0,0,0,0|2,0,0]=4 5587 B12R1.71 O=CCSc1ccc(nc1)CO 62a_200015260668_100000754261 [0,2,0,0,0,0|2,0,0]=4 5588 B12R1.71 O=Cc1ccc(cc1)CSCF 62a_100009816848_100015361967 [0,2,0,0,0,0|0,0,0]=2 5589 B12R1.71 O=Cc1ccc(cc1)CSCF 62a_100015361967_100009816848 [0,2,0,0,0,0|0,0,0]=2 5590 B12R1.71 O=Cc1ccc(cc1)SCCF 62a_100000188517_100011217306 [0,2,0,0,0,0|0,0,0]=2 5591 B12R1.71 O=Cc1ccc(cc1)SCCF 62a_100011217306_100000188517 [0,2,0,0,0,0|0,0,0]=2 5592 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000188517_100000211926 [0,2,0,0,0,0|0,0,0]=2 5593 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000211926_100000188517 [0,2,0,0,0,0|0,0,0]=2 5594 B12R1.71 O=Cc1ccc(cn1)SCCF 62a_100000754260_100011217306 [0,2,0,0,0,0|1,0,0]=3 5595 B12R1.71 O=Cc1ccc(cn1)SCCF 62a_100011217306_100000754260 [0,2,0,0,0,0|1,0,0]=3 5596 B12R1.71 O=Cc1ccc(cn1)SCCO 62a_100000211926_100000754260 [0,2,0,0,0,0|1,0,0]=3 5597 B12R1.71 O=Cc1ccc(cn1)SCCO 62a_100000754260_100000211926 [0,2,0,0,0,0|1,0,0]=3 5598 B12R1.71 O=Cc1ccc(nc1)SCCF 62a_100000766901_100011217306 [0,2,0,0,0,0|1,0,0]=3 5599 B12R1.71 O=Cc1ccc(nc1)SCCF 62a_100011217306_100000766901 [0,2,0,0,0,0|1,0,0]=3 5600 B12R1.71 O=Cc1ccc(nc1)SCCO 62a_100000211926_100000766901 [0,2,0,0,0,0|1,0,0]=3 5601 B12R1.71 O=Cc1ccc(nc1)SCCO 62a_100000766901_100000211926 [0,2,0,0,0,0|1,0,0]=3 5602 B12R1.71 O=Cc1ccc(nn1)SCCF 62a_100000044651_100011217306 [0,2,0,0,0,0|2,0,0]=4 5603 B12R1.71 O=Cc1ccc(nn1)SCCF 62a_100011217306_100000044651 [0,2,0,0,0,0|2,0,0]=4 5604 B12R1.71 O=Cc1ccc(nn1)SCCO 62a_100000044651_100000211926 [0,2,0,0,0,0|2,0,0]=4 5605 B12R1.71 O=Cc1ccc(nn1)SCCO 62a_100000211926_100000044651 [0,2,0,0,0,0|2,0,0]=4 5606 B12R1.71 O=Cc1cnc(cn1)NCCO 27a_100000210304_100012001714 [0,2,0,0,0,0|2,0,0]=4 5607 B12R1.71 O=Cc1cnc(cn1)SCCF 62a_100011217306_100012001714 [0,2,0,0,0,0|2,0,0]=4 5608 B12R1.71 O=Cc1cnc(cn1)SCCF 62a_100012001714_100011217306 [0,2,0,0,0,0|2,0,0]=4 5609 B12R1.71 O=Cc1cnc(cn1)SCCO 62a_100000211926_100012001714 [0,2,0,0,0,0|2,0,0]=4 5610 B12R1.71 O=Cc1cnc(cn1)SCCO 62a_100012001714_100000211926 [0,2,0,0,0,0|2,0,0]=4 5611 B12R1.71 O=Cc1cnc(nc1)NCCO 27a_100000210304_100000070856 [0,2,0,0,0,0|2,0,0]=4 5612 B12R1.71 O=Cc1cnc(nc1)SCCF 62a_100000070856_100011217306 [0,2,0,0,0,0|2,0,0]=4 5613 B12R1.71 O=Cc1cnc(nc1)SCCF 62a_100011217306_100000070856 [0,2,0,0,0,0|2,0,0]=4 5614 B12R1.71 O=Cc1cnc(nc1)SCCO 62a_100000070856_100000211926 [0,2,0,0,0,0|2,0,0]=4 5615 B12R1.71 O=Cc1cnc(nc1)SCCO 62a_100000211926_100000070856 [0,2,0,0,0,0|2,0,0]=4 5616 B12R1.71 OCCNc1ccc(cc1)CO 2230a_100011215238_100000211926 [0,2,0,0,0,0|0,0,2]=4 5617 B12R1.71 OCCNc1ccc(cc1)CO 34a_100011215238_100000211926 [0,2,0,0,0,0|0,0,2]=4 5618 B12R1.71 OCCOc1ccc(cc1)CO 34a_100000211755_100000211926 [0,2,0,0,0,0|0,0,2]=4 5619 B12R1.71 OCCSc1ccc(cc1)CF 62a_100000211926_100010268989 [0,2,0,0,0,0|1,0,1]=4 5620 B12R1.71 OCCSc1ccc(cc1)CF 62a_100010268989_100000211926 [0,2,0,0,0,0|1,0,1]=4 5621 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000211926_100000690907 [0,2,0,0,0,0|0,0,2]=4 5622 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000690907_100000211926 [0,2,0,0,0,0|0,0,2]=4 5623 B12R1.71 OCc1ccc(cc1)CNCF 34a_100015189231_100015361967 [0,2,0,0,0,0|0,0,2]=4 5624 B12R1.71 OCc1ccc(cc1)CSCF 62a_100000067286_100015361967 [0,2,0,0,0,0|0,0,2]=4 5625 B12R1.71 OCc1ccc(cc1)CSCF 62a_100015361967_100000067286 [0,2,0,0,0,0|0,0,2]=4 5626 B12R1.71 OCc1ccc(cc1)NCCF 2230a_100011215238_100011217306 [0,2,0,0,0,0|0,0,2]=4 5627 B12R1.71 OCc1ccc(cc1)NCCF 34a_100011215238_100011217306 [0,2,0,0,0,0|0,0,2]=4 5628 B12R1.71 OCc1ccc(cc1)OCCF 34a_100000211755_100011217306 [0,2,0,0,0,0|0,0,2]=4 5629 B12R1.71 OCc1ccc(cc1)SCCF 62a_100000690907_100011217306 [0,2,0,0,0,0|0,0,2]=4 5630 B12R1.71 OCc1ccc(cc1)SCCF 62a_100011217306_100000690907 [0,2,0,0,0,0|0,0,2]=4 5631 B12R1.71 [13CH3]NCCc1ccc(cc1)C#N 2230a_100015189369_200025704644 [0,2,0,0,0,0|1,0,1]=4 5632 B12R1.71 [13CH3]NCCc1ccc(cc1)C#N 34a_100015189369_200025704644 [0,2,0,0,0,0|1,0,1]=4 5633 B12R1.71 [13CH3]Nc1ccc(cc1)OCCF 34a_100012282086_200025704644 [0,2,0,0,0,0|2,0,0]=4 5634 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 2230a_100000754363_200025704644 [0,2,0,0,0,0|2,0,0]=4 5635 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 34a_100000754363_200025704644 [0,2,0,0,0,0|2,0,0]=4 5636 B12R1.71 [13CH3]OCCc1ccc(cc1)C#N 34a_100011219507_200025704644 [0,2,0,0,0,0|1,0,1]=4 5637 B12R1.71 [13CH3]OCCc1ccc(cc1)C#N 7a_100011219507_200025704644 [0,2,0,0,0,0|1,0,1]=4 5638 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 34a_200011217972_200025704644 [0,2,0,0,0,0|2,0,0]=4 5639 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 7a_200011217972_200025704644 [0,2,0,0,0,0|2,0,0]=4 5640 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [0,2,0,0,0,0|2,0,0]=4 5641 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [0,2,0,0,0,0|2,0,0]=4 5642 B12R1.71 [13CH3]SCCc1ccc(cc1)C#N 62a_200025704644_100012161189 [0,2,0,0,0,0|1,0,1]=4 5643 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [0,2,0,0,0,0|1,0,0]=3 5644 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [0,2,0,0,0,0|1,0,0]=3 5645 B12R1.71 [13CH3]Sc1ccc(cc1)CCC#N 62a_100011216407_200025704644 [0,2,0,0,0,0|2,0,0]=4 5646 B12R1.71 [13CH3]Sc1ccc(cc1)CCC#N 62a_200025704644_100011216407 [0,2,0,0,0,0|2,0,0]=4 5647 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [0,2,0,0,0,0|1,0,0]=3 5648 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [0,2,0,0,0,0|1,0,0]=3 5649 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_100011297623_200025704644 [0,2,0,0,0,0|2,0,0]=4 5650 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_200025704644_100011297623 [0,2,0,0,0,0|2,0,0]=4 5651 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_100011709247_200025704644 [0,2,0,0,0,0|2,0,0]=4 5652 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_200025704644_100011709247 [0,2,0,0,0,0|2,0,0]=4 5653 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_100012347556_200025704644 [0,2,0,0,0,0|2,0,0]=4 5654 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_200025704644_100012347556 [0,2,0,0,0,0|2,0,0]=4 5655 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_100000746992_200025704644 [0,2,0,0,0,0|2,0,0]=4 5656 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_200025704644_100000746992 [0,2,0,0,0,0|2,0,0]=4 5657 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_100000686261_200025704644 [0,2,0,0,0,0|2,0,0]=4 5658 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_200025704644_100000686261 [0,2,0,0,0,0|2,0,0]=4 5659 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_100000184645_200025704644 [0,2,0,0,0,0|2,0,0]=4 5660 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_200025704644_100000184645 [0,2,0,0,0,0|2,0,0]=4 5661 B12R1.114 C=C=Cc1ccc(cc1Br)CC 271570a_100015277604_200009997437 [0,2,0,0,0,0|1,0,0]=3 5662 B12R1.114 C=C=Cc1ccc(cc1Br)OC 271570a_100015277604_100012349170 [0,2,0,0,0,0|2,0,0]=4 5663 B12R1.114 C=C=Cc1ccc(cc1C)C=O 271570a_100015277604_100000765772 [0,2,0,0,0,0|0,0,2]=4 5664 B12R1.114 C=C=Cc1ccc(cc1C)CN 271570a_100015277604_100015205234 [0,2,0,0,0,0|2,0,0]=4 5665 B12R1.114 C=C=Cc1ccc(cc1C)CO 271570a_100015277604_100000718852 [0,2,0,0,0,0|2,0,0]=4 5666 B12R1.114 C=C=Cc1ccc(cc1C)NC 271570a_100015277604_100102888905 [0,2,0,0,0,0|2,0,0]=4 5667 B12R1.114 C=C=Cc1ccc(cc1C)OC 271570a_100015277604_100000759875 [0,2,0,0,0,0|2,0,0]=4 5668 B12R1.114 C=C=Cc1ccc(cc1Cl)CO 271570a_100015277604_100000718186 [0,2,0,0,0,0|2,0,0]=4 5669 B12R1.114 C=C=Cc1ccc(cc1F)C=O 271570a_100015277604_100000686674 [0,2,0,0,0,0|0,0,2]=4 5670 B12R1.114 C=C=Cc1ccc(cc1F)CC 271570a_100015277604_200010339503 [0,2,0,0,0,0|1,0,0]=3 5671 B12R1.114 C=C=Cc1ccc(cc1F)CN 271570a_100015277604_100000755036 [0,2,0,0,0,0|2,0,0]=4 5672 B12R1.114 C=C=Cc1ccc(cc1F)CO 271570a_100015277604_100011533735 [0,2,0,0,0,0|2,0,0]=4 5673 B12R1.114 C=C=Cc1ccc(cc1F)NC 271570a_100015277604_100012285320 [0,2,0,0,0,0|2,0,0]=4 5674 B12R1.114 C=C=Cc1ccc(cc1F)OC 271570a_100015277604_100000753793 [0,2,0,0,0,0|2,0,0]=4 5675 B12R1.114 C=C=Cc1ccc(cc1F)SC 271570a_100015277604_100009816902 [0,2,0,0,0,0|2,0,0]=4 5676 B12R1.114 C=C=Cc1ccc(cc1N)CO 271570a_100015277604_100012347568 [0,2,0,0,0,0|2,0,0]=4 5677 B12R1.114 C=C=Cc1ccc(cc1N)OC 271570a_100015277604_100000748021 [0,2,0,0,0,0|2,0,0]=4 5678 B12R1.114 C=C=Cc1ccc(cc1O)C=O 271570a_100015277604_100000041418 [0,2,0,0,0,0|0,0,2]=4 5679 B12R1.114 C=C=Cc1ccc(cc1O)CO 271570a_100015277604_100000049605 [0,2,0,0,0,0|2,0,0]=4 5680 B12R1.114 C=C=Cc1ccc(cc1O)OC 271570a_100015277604_100000719091 [0,2,0,0,0,0|2,0,0]=4 5681 B12R1.114 C=Cc1ccc(c(c1)C)CC#N 271570a_100011290941_100000697864 [0,2,0,0,0,0|1,0,1]=4 5682 B12R1.114 C=Cc1ccc(c(c1)C)OCC 271570a_100011290941_100011308936 [0,2,0,0,0,0|1,0,0]=3 5683 B12R1.114 C=Cc1ccc(c(c1)F)CC#N 271570a_100011290941_100011295474 [0,2,0,0,0,0|1,0,1]=4 5684 B12R1.114 C=Cc1ccc(c(c1)F)CCO 271570a_100011290941_100011962869 [0,2,0,0,0,0|1,0,0]=3 5685 B12R1.114 C=Cc1ccc(c(c1)F)OCC 271570a_100011290941_200000171753 [0,2,0,0,0,0|1,0,0]=3 5686 B12R1.114 C=Cc1ccc(c(c1)N)COC 271570a_100011290941_100013084866 [0,2,0,0,0,0|1,0,0]=3 5687 B12R1.114 C=Cc1ccc(c(c1)N)OCC 271570a_100011290941_100000751366 [0,2,0,0,0,0|1,0,0]=3 5688 B12R1.114 C=Cc1cnc(c(c1)C)OCC 271570a_100011290941_100012351028 [0,2,0,0,0,0|2,0,0]=4 5689 B12R1.114 C=Cc1cnc(c(c1)N)OCC 271570a_100011290941_100011433076 [0,2,0,0,0,0|2,0,0]=4 5690 B12R1.114 CC=Cc1ccc(cc1Br)CC 271570a_100016259895_200009997437 [0,2,0,0,0,0|1,0,0]=3 5691 B12R1.114 CC=Cc1ccc(cc1Br)OC 271570a_100016259895_100012349170 [0,2,0,0,0,0|2,0,0]=4 5692 B12R1.114 CC=Cc1ccc(cc1C)C=O 271570a_100016259895_100000765772 [0,2,0,0,0,0|0,0,1]=3 5693 B12R1.114 CC=Cc1ccc(cc1C)CN 271570a_100016259895_100015205234 [0,2,0,0,0,0|2,0,0]=4 5694 B12R1.114 CC=Cc1ccc(cc1C)CO 271570a_100016259895_100000718852 [0,2,0,0,0,0|2,0,0]=4 5695 B12R1.114 CC=Cc1ccc(cc1C)NC 271570a_100016259895_100102888905 [0,2,0,0,0,0|2,0,0]=4 5696 B12R1.114 CC=Cc1ccc(cc1C)OC 271570a_100016259895_100000759875 [0,2,0,0,0,0|2,0,0]=4 5697 B12R1.114 CC=Cc1ccc(cc1Cl)CO 271570a_100016259895_100000718186 [0,2,0,0,0,0|2,0,0]=4 5698 B12R1.114 CC=Cc1ccc(cc1F)C=O 271570a_100016259895_100000686674 [0,2,0,0,0,0|0,0,1]=3 5699 B12R1.114 CC=Cc1ccc(cc1F)CC 271570a_100016259895_200010339503 [0,2,0,0,0,0|1,0,0]=3 5700 B12R1.114 CC=Cc1ccc(cc1F)CN 271570a_100016259895_100000755036 [0,2,0,0,0,0|2,0,0]=4 5701 B12R1.114 CC=Cc1ccc(cc1F)CO 271570a_100016259895_100011533735 [0,2,0,0,0,0|2,0,0]=4 5702 B12R1.114 CC=Cc1ccc(cc1F)NC 271570a_100016259895_100012285320 [0,2,0,0,0,0|2,0,0]=4 5703 B12R1.114 CC=Cc1ccc(cc1F)OC 271570a_100016259895_100000753793 [0,2,0,0,0,0|2,0,0]=4 5704 B12R1.114 CC=Cc1ccc(cc1F)SC 271570a_100016259895_100009816902 [0,2,0,0,0,0|2,0,0]=4 5705 B12R1.114 CC=Cc1ccc(cc1N)CO 271570a_100016259895_100012347568 [0,2,0,0,0,0|2,0,0]=4 5706 B12R1.114 CC=Cc1ccc(cc1N)OC 271570a_100016259895_100000748021 [0,2,0,0,0,0|2,0,0]=4 5707 B12R1.114 CC=Cc1ccc(cc1O)C=O 271570a_100016259895_100000041418 [0,2,0,0,0,0|0,0,1]=3 5708 B12R1.114 CC=Cc1ccc(cc1O)CO 271570a_100016259895_100000049605 [0,2,0,0,0,0|2,0,0]=4 5709 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [0,2,0,0,0,0|2,0,0]=4 5710 B12R1.114 CC=Cc1ccc(nc1C)C=O 271570a_100016259895_100010238520 [0,2,0,0,0,0|1,0,1]=4 5711 B12R1.114 CC=Cc1cnc(cc1C)C=O 271570a_100016259895_100009814806 [0,2,0,0,0,0|1,0,1]=4 5712 B12R1.114 CC=Cc1ncc(cc1C)C=O 271570a_100016259895_100000070293 [0,2,0,0,0,0|1,0,1]=4 5713 B12R1.114 CC=Cc1ncc(cc1F)C=O 271570a_100016259895_100009866847 [0,2,0,0,0,0|1,0,1]=4 5714 B12R1.114 CCNc1ccc(cc1Br)C#N 34a_100000736769_100000210202 [0,2,0,0,0,0|1,0,1]=4 5715 B12R1.114 CCNc1ccc(cc1Br)C#N 7a_100000736769_100000210202 [0,2,0,0,0,0|1,0,1]=4 5716 B12R1.114 CCNc1ccc(cc1Br)CC 2230a_100012339725_100000210202 [0,2,0,0,0,0|1,0,1]=4 5717 B12R1.114 CCNc1ccc(cc1Br)CC 34a_100012339725_100000210202 [0,2,0,0,0,0|1,0,1]=4 5718 B12R1.114 CCNc1ccc(cc1Br)OC 34a_100015195136_100000210202 [0,2,0,0,0,0|2,0,0]=4 5719 B12R1.114 CCNc1ccc(cc1C)C#N 34a_100011216260_100000210202 [0,2,0,0,0,0|1,0,1]=4 5720 B12R1.114 CCNc1ccc(cc1C)C#N 7a_100011216260_100000210202 [0,2,0,0,0,0|1,0,1]=4 5721 B12R1.114 CCNc1ccc(cc1C)CC 2230a_100011226020_100000210202 [0,2,0,0,0,0|1,0,1]=4 5722 B12R1.114 CCNc1ccc(cc1C)CC 34a_100011226020_100000210202 [0,2,0,0,0,0|1,0,1]=4 5723 B12R1.114 CCNc1ccc(cc1C)CC 7a_100011226020_100000210202 [0,2,0,0,0,0|1,0,1]=4 5724 B12R1.114 CCNc1ccc(cc1C)CO 2230a_200011997030_100000210202 [0,2,0,0,0,0|0,0,2]=4 5725 B12R1.114 CCNc1ccc(cc1C)CO 34a_200011997030_100000210202 [0,2,0,0,0,0|0,0,2]=4 5726 B12R1.114 CCNc1ccc(cc1C)OC 34a_100000750285_100000210202 [0,2,0,0,0,0|2,0,0]=4 5727 B12R1.114 CCNc1ccc(cc1Cl)C#N 34a_100000690208_100000210202 [0,2,0,0,0,0|1,0,1]=4 5728 B12R1.114 CCNc1ccc(cc1Cl)C#N 7a_100000690208_100000210202 [0,2,0,0,0,0|1,0,1]=4 5729 B12R1.114 CCNc1ccc(cc1Cl)OC 34a_100000747055_100000210202 [0,2,0,0,0,0|2,0,0]=4 5730 B12R1.114 CCNc1ccc(cc1F)C#N 34a_100000760432_100000210202 [0,2,0,0,0,0|1,0,1]=4 5731 B12R1.114 CCNc1ccc(cc1F)C#N 7a_100000760432_100000210202 [0,2,0,0,0,0|1,0,1]=4 5732 B12R1.114 CCNc1ccc(cc1F)CC 2230a_100016177294_100000210202 [0,2,0,0,0,0|1,0,1]=4 5733 B12R1.114 CCNc1ccc(cc1F)CC 34a_100016177294_100000210202 [0,2,0,0,0,0|1,0,1]=4 5734 B12R1.114 CCNc1ccc(cc1F)CO 2230a_100011217239_100000210202 [0,2,0,0,0,0|0,0,2]=4 5735 B12R1.114 CCNc1ccc(cc1F)CO 34a_100011217239_100000210202 [0,2,0,0,0,0|0,0,2]=4 5736 B12R1.114 CCNc1ccc(cc1F)OC 34a_100011299463_100000210202 [0,2,0,0,0,0|2,0,0]=4 5737 B12R1.114 CCNc1ccc(cc1F)SC 34a_100012056844_100000210202 [0,2,0,0,0,0|2,0,0]=4 5738 B12R1.114 CCNc1ccc(cc1I)C#N 7a_100000067503_100000210202 [0,2,0,0,0,0|1,0,1]=4 5739 B12R1.114 CCNc1ccc(cc1I)OC 34a_100000049804_100000210202 [0,2,0,0,0,0|2,0,0]=4 5740 B12R1.114 CCNc1ccc(cc1O)C#N 34a_100011997735_100000210202 [0,2,0,0,0,0|1,0,1]=4 5741 B12R1.114 CCNc1ccc(cc1O)CC 34a_100000124328_100000210202 [0,2,0,0,0,0|1,0,1]=4 5742 B12R1.114 CCNc1ccc(cc1O)OC 34a_100016989039_100000210202 [0,2,0,0,0,0|2,0,0]=4 5743 B12R1.114 CCOc1ccc(cc1Br)C#N 34a_100011216086_100000210202 [0,2,0,0,0,0|1,0,1]=4 5744 B12R1.114 CCOc1ccc(cc1Br)C#N 7a_100011216086_100000210202 [0,2,0,0,0,0|1,0,1]=4 5745 B12R1.114 CCOc1ccc(cc1Br)CC 34a_100012339963_100000210202 [0,2,0,0,0,0|1,0,1]=4 5746 B12R1.114 CCOc1ccc(cc1Br)CC 7a_100012339963_100000210202 [0,2,0,0,0,0|1,0,1]=4 5747 B12R1.114 CCOc1ccc(cc1Br)CO 34a_100011191544_100000210202 [0,2,0,0,0,0|0,0,2]=4 5748 B12R1.114 CCOc1ccc(cc1Br)CO 7a_100011191544_100000210202 [0,2,0,0,0,0|0,0,2]=4 5749 B12R1.114 CCOc1ccc(cc1Br)OC 34a_100000685887_100000210202 [0,2,0,0,0,0|2,0,0]=4 5750 B12R1.114 CCOc1ccc(cc1Br)OC 7a_100000685887_100000210202 [0,2,0,0,0,0|2,0,0]=4 5751 B12R1.114 CCOc1ccc(cc1C)C#N 34a_100000749339_100000210202 [0,2,0,0,0,0|1,0,1]=4 5752 B12R1.114 CCOc1ccc(cc1C)C#N 7a_100000749339_100000210202 [0,2,0,0,0,0|1,0,1]=4 5753 B12R1.114 CCOc1ccc(cc1C)CO 34a_100000075815_100000210202 [0,2,0,0,0,0|0,0,2]=4 5754 B12R1.114 CCOc1ccc(cc1C)CO 7a_100000075815_100000210202 [0,2,0,0,0,0|0,0,2]=4 5755 B12R1.114 CCOc1ccc(cc1C)OC 34a_100012002223_100000210202 [0,2,0,0,0,0|2,0,0]=4 5756 B12R1.114 CCOc1ccc(cc1C)OC 7a_100012002223_100000210202 [0,2,0,0,0,0|2,0,0]=4 5757 B12R1.114 CCOc1ccc(cc1C)SC 62a_100011308936_200000210301 [0,2,0,0,0,0|2,0,0]=4 5758 B12R1.114 CCOc1ccc(cc1C)SC 62a_200000210301_100011308936 [0,2,0,0,0,0|2,0,0]=4 5759 B12R1.114 CCOc1ccc(cc1C)S[13CH3] 62a_100011308936_200025704644 [0,2,0,0,0,0|2,0,0]=4 5760 B12R1.114 CCOc1ccc(cc1C)S[13CH3] 62a_200025704644_100011308936 [0,2,0,0,0,0|2,0,0]=4 5761 B12R1.114 CCOc1ccc(cc1Cl)C#N 34a_100000205955_100000210202 [0,2,0,0,0,0|1,0,1]=4 5762 B12R1.114 CCOc1ccc(cc1Cl)C#N 7a_100000205955_100000210202 [0,2,0,0,0,0|1,0,1]=4 5763 B12R1.114 CCOc1ccc(cc1Cl)NC 2230a_100000741444_200000210301 [0,2,0,0,0,0|2,0,0]=4 5764 B12R1.114 CCOc1ccc(cc1Cl)NC 34a_100000741444_200000210301 [0,2,0,0,0,0|2,0,0]=4 5765 B12R1.114 CCOc1ccc(cc1Cl)NC 7a_100000741444_200000210301 [0,2,0,0,0,0|2,0,0]=4 5766 B12R1.114 CCOc1ccc(cc1Cl)N[13CH3] 2230a_100000741444_200025704644 [0,2,0,0,0,0|2,0,0]=4 5767 B12R1.114 CCOc1ccc(cc1Cl)N[13CH3] 34a_100000741444_200025704644 [0,2,0,0,0,0|2,0,0]=4 5768 B12R1.114 CCOc1ccc(cc1Cl)N[13CH3] 7a_100000741444_200025704644 [0,2,0,0,0,0|2,0,0]=4 5769 B12R1.114 CCOc1ccc(cc1Cl)OC 34a_100000038596_100000210202 [0,2,0,0,0,0|2,0,0]=4 5770 B12R1.114 CCOc1ccc(cc1Cl)OC 7a_100000038596_100000210202 [0,2,0,0,0,0|2,0,0]=4 5771 B12R1.114 CCOc1ccc(cc1F)C#N 34a_100000751310_100000210202 [0,2,0,0,0,0|1,0,1]=4 5772 B12R1.114 CCOc1ccc(cc1F)C#N 7a_100000751310_100000210202 [0,2,0,0,0,0|1,0,1]=4 5773 B12R1.114 CCOc1ccc(cc1F)CN 34a_100000758358_100000210202 [0,2,0,0,0,0|1,0,1]=4 5774 B12R1.114 CCOc1ccc(cc1F)OC 34a_100000036999_100000210202 [0,2,0,0,0,0|2,0,0]=4 5775 B12R1.114 CCOc1ccc(cc1F)OC 34a_100012771078_200000210301 [0,2,0,0,0,0|2,0,0]=4 5776 B12R1.114 CCOc1ccc(cc1F)OC 7a_100000036999_100000210202 [0,2,0,0,0,0|2,0,0]=4 5777 B12R1.114 CCOc1ccc(cc1F)OC 7a_100012771078_200000210301 [0,2,0,0,0,0|2,0,0]=4 5778 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 34a_100012771078_200025704644 [0,2,0,0,0,0|2,0,0]=4 5779 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 7a_100012771078_200025704644 [0,2,0,0,0,0|2,0,0]=4 5780 B12R1.114 CCOc1ccc(cc1F)SC 62a_200000171753_200000210301 [0,2,0,0,0,0|2,0,0]=4 5781 B12R1.114 CCOc1ccc(cc1F)SC 62a_200000210301_200000171753 [0,2,0,0,0,0|2,0,0]=4 5782 B12R1.114 CCOc1ccc(cc1F)S[13CH3] 62a_200000171753_200025704644 [0,2,0,0,0,0|2,0,0]=4 5783 B12R1.114 CCOc1ccc(cc1F)S[13CH3] 62a_200025704644_200000171753 [0,2,0,0,0,0|2,0,0]=4 5784 B12R1.114 CCOc1ccc(cc1I)C#N 34a_100000725478_100000210202 [0,2,0,0,0,0|1,0,1]=4 5785 B12R1.114 CCOc1ccc(cc1I)C#N 7a_100000725478_100000210202 [0,2,0,0,0,0|1,0,1]=4 5786 B12R1.114 CCOc1ccc(cc1N)C#N 34a_100000766272_100000210202 [0,2,0,0,0,0|1,0,1]=4 5787 B12R1.114 CCOc1ccc(cc1N)C#N 7a_100000766272_100000210202 [0,2,0,0,0,0|1,0,1]=4 5788 B12R1.114 CCOc1ccc(cc1N)CC 34a_100000765835_100000210202 [0,2,0,0,0,0|1,0,1]=4 5789 B12R1.114 CCOc1ccc(cc1N)CC 7a_100000765835_100000210202 [0,2,0,0,0,0|1,0,1]=4 5790 B12R1.114 CCOc1ccc(cc1N)CO 34a_100000123545_100000210202 [0,2,0,0,0,0|0,0,2]=4 5791 B12R1.114 CCOc1ccc(cc1N)OC 34a_100000188146_100000210202 [0,2,0,0,0,0|2,0,0]=4 5792 B12R1.114 CCOc1ccc(cc1N)SC 62a_100000751366_200000210301 [0,2,0,0,0,0|2,0,0]=4 5793 B12R1.114 CCOc1ccc(cc1N)S[13CH3] 62a_100000751366_200025704644 [0,2,0,0,0,0|2,0,0]=4 5794 B12R1.114 CCOc1ccc(cc1O)C#N 271570a_203496583355_100000189309 [0,2,0,0,0,0|1,0,1]=4 5795 B12R1.114 CCOc1ccc(cc1O)C=O 271570a_203496583355_100000173028 [0,2,0,0,0,0|0,0,0]=2 5796 B12R1.114 CCOc1ccc(cc1O)CO 271570a_203496583355_200011800839 [0,2,0,0,0,0|0,0,2]=4 5797 B12R1.114 CCSc1ccc(cc1Br)C#N 62a_100000210202_100012356348 [0,2,0,0,0,0|1,0,1]=4 5798 B12R1.114 CCSc1ccc(cc1Br)CC 62a_100000210202_200009997437 [0,2,0,0,0,0|1,0,1]=4 5799 B12R1.114 CCSc1ccc(cc1Br)CC 62a_200009997437_100000210202 [0,2,0,0,0,0|1,0,1]=4 5800 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100000210202_100012349170 [0,2,0,0,0,0|2,0,0]=4 5801 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100012349170_100000210202 [0,2,0,0,0,0|2,0,0]=4 5802 B12R1.114 CCSc1ccc(cc1C)C#N 62a_100000210202_100000212329 [0,2,0,0,0,0|1,0,1]=4 5803 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000210202_100000765772 [0,2,0,0,0,0|0,0,0]=2 5804 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000765772_100000210202 [0,2,0,0,0,0|0,0,0]=2 5805 B12R1.114 CCSc1ccc(cc1C)CN 62a_100000210202_100015205234 [0,2,0,0,0,0|1,0,1]=4 5806 B12R1.114 CCSc1ccc(cc1C)CN 62a_100015205234_100000210202 [0,2,0,0,0,0|1,0,1]=4 5807 B12R1.114 CCSc1ccc(cc1C)CO 62a_100000210202_100000718852 [0,2,0,0,0,0|0,0,2]=4 5808 B12R1.114 CCSc1ccc(cc1C)CO 62a_100000718852_100000210202 [0,2,0,0,0,0|0,0,2]=4 5809 B12R1.114 CCSc1ccc(cc1C)NC 62a_100000210202_100102888905 [0,2,0,0,0,0|2,0,0]=4 5810 B12R1.114 CCSc1ccc(cc1C)NC 62a_100102888905_100000210202 [0,2,0,0,0,0|2,0,0]=4 5811 B12R1.114 CCSc1ccc(cc1C)NN 62a_100000210202_100000745493 [0,2,0,0,0,0|2,0,0]=4 5812 B12R1.114 CCSc1ccc(cc1C)NN 62a_100000745493_100000210202 [0,2,0,0,0,0|2,0,0]=4 5813 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000210202_100000759875 [0,2,0,0,0,0|2,0,0]=4 5814 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000759875_100000210202 [0,2,0,0,0,0|2,0,0]=4 5815 B12R1.114 CCSc1ccc(cc1Cl)C#N 62a_100000210202_100012349663 [0,2,0,0,0,0|1,0,1]=4 5816 B12R1.114 CCSc1ccc(cc1Cl)CO 62a_100000210202_100000718186 [0,2,0,0,0,0|0,0,2]=4 5817 B12R1.114 CCSc1ccc(cc1Cl)CO 62a_100000718186_100000210202 [0,2,0,0,0,0|0,0,2]=4 5818 B12R1.114 CCSc1ccc(cc1F)C#N 62a_100000210202_100000050172 [0,2,0,0,0,0|1,0,1]=4 5819 B12R1.114 CCSc1ccc(cc1F)C=O 62a_100000210202_100000686674 [0,2,0,0,0,0|0,0,0]=2 5820 B12R1.114 CCSc1ccc(cc1F)C=O 62a_100000686674_100000210202 [0,2,0,0,0,0|0,0,0]=2 5821 B12R1.114 CCSc1ccc(cc1F)CC 62a_100000210202_200010339503 [0,2,0,0,0,0|1,0,1]=4 5822 B12R1.114 CCSc1ccc(cc1F)CC 62a_200010339503_100000210202 [0,2,0,0,0,0|1,0,1]=4 5823 B12R1.114 CCSc1ccc(cc1F)CN 62a_100000210202_100000755036 [0,2,0,0,0,0|1,0,1]=4 5824 B12R1.114 CCSc1ccc(cc1F)CN 62a_100000755036_100000210202 [0,2,0,0,0,0|1,0,1]=4 5825 B12R1.114 CCSc1ccc(cc1F)CO 62a_100000210202_100011533735 [0,2,0,0,0,0|0,0,2]=4 5826 B12R1.114 CCSc1ccc(cc1F)CO 62a_100011533735_100000210202 [0,2,0,0,0,0|0,0,2]=4 5827 B12R1.114 CCSc1ccc(cc1F)NC 62a_100000210202_100012285320 [0,2,0,0,0,0|2,0,0]=4 5828 B12R1.114 CCSc1ccc(cc1F)NC 62a_100012285320_100000210202 [0,2,0,0,0,0|2,0,0]=4 5829 B12R1.114 CCSc1ccc(cc1F)NN 62a_100000210202_100016992936 [0,2,0,0,0,0|2,0,0]=4 5830 B12R1.114 CCSc1ccc(cc1F)NN 62a_100016992936_100000210202 [0,2,0,0,0,0|2,0,0]=4 5831 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000210202_100000753793 [0,2,0,0,0,0|2,0,0]=4 5832 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000753793_100000210202 [0,2,0,0,0,0|2,0,0]=4 5833 B12R1.114 CCSc1ccc(cc1F)SC 62a_100000210202_100009816902 [0,2,0,0,0,0|2,0,0]=4 5834 B12R1.114 CCSc1ccc(cc1F)SC 62a_100009816902_100000210202 [0,2,0,0,0,0|2,0,0]=4 5835 B12R1.114 CCSc1ccc(cc1N)C#N 62a_100000210202_100012001879 [0,2,0,0,0,0|1,0,1]=4 5836 B12R1.114 CCSc1ccc(cc1N)CO 62a_100000210202_100012347568 [0,2,0,0,0,0|0,0,2]=4 5837 B12R1.114 CCSc1ccc(cc1N)CO 62a_100012347568_100000210202 [0,2,0,0,0,0|0,0,2]=4 5838 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000210202_100000748021 [0,2,0,0,0,0|2,0,0]=4 5839 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000748021_100000210202 [0,2,0,0,0,0|2,0,0]=4 5840 B12R1.114 CCSc1ccc(cc1O)C#N 62a_100000210202_100009877741 [0,2,0,0,0,0|1,0,1]=4 5841 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000041418_100000210202 [0,2,0,0,0,0|0,0,0]=2 5842 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000210202_100000041418 [0,2,0,0,0,0|0,0,0]=2 5843 B12R1.114 CCSc1ccc(cc1O)CO 62a_100000049605_100000210202 [0,2,0,0,0,0|0,0,2]=4 5844 B12R1.114 CCSc1ccc(cc1O)CO 62a_100000210202_100000049605 [0,2,0,0,0,0|0,0,2]=4 5845 B12R1.114 CCSc1ccc(cc1O)OC 62a_100000210202_100000719091 [0,2,0,0,0,0|2,0,0]=4 5846 B12R1.114 CCSc1ccc(nc1C)C=O 62a_100000210202_100010238520 [0,2,0,0,0,0|1,0,0]=3 5847 B12R1.114 CCSc1ccc(nc1C)C=O 62a_100010238520_100000210202 [0,2,0,0,0,0|1,0,0]=3 5848 B12R1.114 CCSc1cnc(cc1C)C=O 62a_100000210202_100009814806 [0,2,0,0,0,0|1,0,0]=3 5849 B12R1.114 CCSc1cnc(cc1C)C=O 62a_100009814806_100000210202 [0,2,0,0,0,0|1,0,0]=3 5850 B12R1.114 CCSc1ncc(cc1C)C=O 62a_100000070293_100000210202 [0,2,0,0,0,0|1,0,0]=3 5851 B12R1.114 CCSc1ncc(cc1C)C=O 62a_100000210202_100000070293 [0,2,0,0,0,0|1,0,0]=3 5852 B12R1.114 CCSc1ncc(cc1F)C=O 62a_100000210202_100009866847 [0,2,0,0,0,0|1,0,0]=3 5853 B12R1.114 CCSc1ncc(cc1F)C=O 62a_100009866847_100000210202 [0,2,0,0,0,0|1,0,0]=3 5854 B12R1.114 CCc1ccc(c(c1)Br)CNC 26a_100102657272_100012339963 [0,2,0,0,0,0|1,0,1]=4 5855 B12R1.114 CCc1ccc(c(c1)Br)NCF 34a_100012339725_100015361967 [0,2,0,0,0,0|1,0,1]=4 5856 B12R1.114 CCc1ccc(c(c1)Br)OCF 34a_100012339963_100015361967 [0,2,0,0,0,0|1,0,1]=4 5857 B12R1.114 CCc1ccc(c(c1)Br)OCF 7a_100012339963_100015361967 [0,2,0,0,0,0|1,0,1]=4 5858 B12R1.114 CCc1ccc(c(c1)Br)SCF 62a_100015361967_200009997437 [0,2,0,0,0,0|1,0,1]=4 5859 B12R1.114 CCc1ccc(c(c1)Br)SCF 62a_200009997437_100015361967 [0,2,0,0,0,0|1,0,1]=4 5860 B12R1.114 CCc1ccc(c(c1)C)NCF 34a_100011226020_100015361967 [0,2,0,0,0,0|1,0,1]=4 5861 B12R1.114 CCc1ccc(c(c1)C)NCF 7a_100011226020_100015361967 [0,2,0,0,0,0|1,0,1]=4 5862 B12R1.114 CCc1ccc(c(c1)F)CNC 207a_100102657272_100011156597 [0,2,0,0,0,0|1,0,1]=4 5863 B12R1.114 CCc1ccc(c(c1)F)CNC 270004a_106832991635_100011156597 [0,2,0,0,0,0|1,0,1]=4 5864 B12R1.114 CCc1ccc(c(c1)F)NCF 34a_100016177294_100015361967 [0,2,0,0,0,0|1,0,1]=4 5865 B12R1.114 CCc1ccc(c(c1)F)SCF 62a_100015361967_200010339503 [0,2,0,0,0,0|1,0,1]=4 5866 B12R1.114 CCc1ccc(c(c1)F)SCF 62a_200010339503_100015361967 [0,2,0,0,0,0|1,0,1]=4 5867 B12R1.114 CCc1ccc(c(c1)N)OCF 34a_100000765835_100015361967 [0,2,0,0,0,0|1,0,1]=4 5868 B12R1.114 CCc1ccc(c(c1)N)OCF 7a_100000765835_100015361967 [0,2,0,0,0,0|1,0,1]=4 5869 B12R1.114 CCc1ccc(c(c1)O)NCF 34a_100000124328_100015361967 [0,2,0,0,0,0|1,0,1]=4 5870 B12R1.114 CNCc1ccc(cc1Br)C#N 207a_100102657272_100012355658 [0,2,0,0,0,0|1,0,1]=4 5871 B12R1.114 CNCc1ccc(cc1Br)C#N 2230a_106832991635_100000694769 [0,2,0,0,0,0|1,0,1]=4 5872 B12R1.114 CNCc1ccc(cc1Br)C#N 26a_100102657272_100011216086 [0,2,0,0,0,0|1,0,1]=4 5873 B12R1.114 CNCc1ccc(cc1Br)C#N 270004a_106832991635_100012355658 [0,2,0,0,0,0|1,0,1]=4 5874 B12R1.114 CNCc1ccc(cc1Br)C#N 34a_100102657272_100000694769 [0,2,0,0,0,0|1,0,1]=4 5875 B12R1.114 CNCc1ccc(cc1Br)C#N 34a_114948178924_200000210301 [0,2,0,0,0,0|1,0,1]=4 5876 B12R1.114 CNCc1ccc(cc1Br)C#N 7a_106832991635_100000694769 [0,2,0,0,0,0|1,0,1]=4 5877 B12R1.114 CNCc1ccc(cc1Br)CO 26a_100102657272_100011191544 [0,2,0,0,0,0|0,0,2]=4 5878 B12R1.114 CNCc1ccc(cc1Br)OC 207a_100102657272_100000723261 [0,2,0,0,0,0|2,0,0]=4 5879 B12R1.114 CNCc1ccc(cc1Br)OC 2230a_106832991635_100011982828 [0,2,0,0,0,0|2,0,0]=4 5880 B12R1.114 CNCc1ccc(cc1Br)OC 26a_100102657272_100000685887 [0,2,0,0,0,0|2,0,0]=4 5881 B12R1.114 CNCc1ccc(cc1Br)OC 270004a_106832991635_100000723261 [0,2,0,0,0,0|2,0,0]=4 5882 B12R1.114 CNCc1ccc(cc1Br)OC 34a_100102657272_100011982828 [0,2,0,0,0,0|2,0,0]=4 5883 B12R1.114 CNCc1ccc(cc1Br)OC 7a_106832991635_100011982828 [0,2,0,0,0,0|2,0,0]=4 5884 B12R1.114 CNCc1ccc(cc1C)C#N 207a_100102657272_100012187669 [0,2,0,0,0,0|1,0,1]=4 5885 B12R1.114 CNCc1ccc(cc1C)C#N 270004a_106832991635_100012187669 [0,2,0,0,0,0|1,0,1]=4 5886 B12R1.114 CNCc1ccc(cc1C)CO 207a_100102657272_100015695768 [0,2,0,0,0,0|0,0,2]=4 5887 B12R1.114 CNCc1ccc(cc1C)CO 270004a_106832991635_100015695768 [0,2,0,0,0,0|0,0,2]=4 5888 B12R1.114 CNCc1ccc(cc1C)OC 207a_100102657272_100011214997 [0,2,0,0,0,0|2,0,0]=4 5889 B12R1.114 CNCc1ccc(cc1C)OC 270004a_106832991635_100011214997 [0,2,0,0,0,0|2,0,0]=4 5890 B12R1.114 CNCc1ccc(cc1Cl)C#N 207a_100102657272_100012001878 [0,2,0,0,0,0|1,0,1]=4 5891 B12R1.114 CNCc1ccc(cc1Cl)C#N 2230a_106832991635_100000709902 [0,2,0,0,0,0|1,0,1]=4 5892 B12R1.114 CNCc1ccc(cc1Cl)C#N 26a_100102657272_100000205955 [0,2,0,0,0,0|1,0,1]=4 5893 B12R1.114 CNCc1ccc(cc1Cl)C#N 270004a_106832991635_100012001878 [0,2,0,0,0,0|1,0,1]=4 5894 B12R1.114 CNCc1ccc(cc1Cl)C#N 34a_100102657272_100000709902 [0,2,0,0,0,0|1,0,1]=4 5895 B12R1.114 CNCc1ccc(cc1Cl)C#N 7a_106832991635_100000709902 [0,2,0,0,0,0|1,0,1]=4 5896 B12R1.114 CNCc1ccc(cc1Cl)OC 207a_100102657272_100000235372 [0,2,0,0,0,0|2,0,0]=4 5897 B12R1.114 CNCc1ccc(cc1Cl)OC 2230a_106832991635_200011830453 [0,2,0,0,0,0|2,0,0]=4 5898 B12R1.114 CNCc1ccc(cc1Cl)OC 26a_100102657272_100000038596 [0,2,0,0,0,0|2,0,0]=4 5899 B12R1.114 CNCc1ccc(cc1Cl)OC 270004a_106832991635_100000235372 [0,2,0,0,0,0|2,0,0]=4 5900 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100102657272_200011830453 [0,2,0,0,0,0|2,0,0]=4 5901 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100138410423_200000210301 [0,2,0,0,0,0|2,0,0]=4 5902 B12R1.114 CNCc1ccc(cc1Cl)OC 7a_106832991635_200011830453 [0,2,0,0,0,0|2,0,0]=4 5903 B12R1.114 CNCc1ccc(cc1F)C#N 207a_100102657272_100000688119 [0,2,0,0,0,0|1,0,1]=4 5904 B12R1.114 CNCc1ccc(cc1F)C#N 2230a_106832991635_100000239720 [0,2,0,0,0,0|1,0,1]=4 5905 B12R1.114 CNCc1ccc(cc1F)C#N 26a_100102657272_100000751310 [0,2,0,0,0,0|1,0,1]=4 5906 B12R1.114 CNCc1ccc(cc1F)C#N 270004a_106832991635_100000688119 [0,2,0,0,0,0|1,0,1]=4 5907 B12R1.114 CNCc1ccc(cc1F)C#N 34a_100000749714_200000210301 [0,2,0,0,0,0|1,0,1]=4 5908 B12R1.114 CNCc1ccc(cc1F)C#N 34a_100102657272_100000239720 [0,2,0,0,0,0|1,0,1]=4 5909 B12R1.114 CNCc1ccc(cc1F)C#N 7a_106832991635_100000239720 [0,2,0,0,0,0|1,0,1]=4 5910 B12R1.114 CNCc1ccc(cc1F)OC 207a_100102657272_100011216087 [0,2,0,0,0,0|2,0,0]=4 5911 B12R1.114 CNCc1ccc(cc1F)OC 2230a_106832991635_100011260761 [0,2,0,0,0,0|2,0,0]=4 5912 B12R1.114 CNCc1ccc(cc1F)OC 26a_100102657272_100000036999 [0,2,0,0,0,0|2,0,0]=4 5913 B12R1.114 CNCc1ccc(cc1F)OC 270004a_106832991635_100011216087 [0,2,0,0,0,0|2,0,0]=4 5914 B12R1.114 CNCc1ccc(cc1F)OC 34a_100000687396_200000210301 [0,2,0,0,0,0|2,0,0]=4 5915 B12R1.114 CNCc1ccc(cc1F)OC 34a_100102657272_100011260761 [0,2,0,0,0,0|2,0,0]=4 5916 B12R1.114 CNCc1ccc(cc1F)OC 7a_106832991635_100011260761 [0,2,0,0,0,0|2,0,0]=4 5917 B12R1.114 CNCc1ccc(cc1I)C#N 2230a_106832991635_100010079267 [0,2,0,0,0,0|1,0,1]=4 5918 B12R1.114 CNCc1ccc(cc1I)C#N 34a_100102657272_100010079267 [0,2,0,0,0,0|1,0,1]=4 5919 B12R1.114 CNCc1ccc(cc1I)C#N 7a_106832991635_100010079267 [0,2,0,0,0,0|1,0,1]=4 5920 B12R1.114 CNCc1ccc(cc1I)OC 207a_100102657272_100010159643 [0,2,0,0,0,0|2,0,0]=4 5921 B12R1.114 CNCc1ccc(cc1I)OC 270004a_106832991635_100010159643 [0,2,0,0,0,0|2,0,0]=4 5922 B12R1.114 CNc1ccc(c(c1)F)COC 34a_100012145864_200000210301 [0,2,0,0,0,0|2,0,0]=4 5923 B12R1.114 CNc1ccc(c(c1)F)COC 7a_100012145864_200000210301 [0,2,0,0,0,0|2,0,0]=4 5924 B12R1.114 COCc1ccc(cc1Br)C#N 34a_100010214422_200000210301 [0,2,0,0,0,0|1,0,1]=4 5925 B12R1.114 COCc1ccc(cc1Br)C#N 34a_100138415774_100000694769 [0,2,0,0,0,0|1,0,1]=4 5926 B12R1.114 COCc1ccc(cc1Br)C#N 7a_100010214422_200000210301 [0,2,0,0,0,0|1,0,1]=4 5927 B12R1.114 COCc1ccc(cc1Br)OC 34a_100011982768_200000210301 [0,2,0,0,0,0|2,0,0]=4 5928 B12R1.114 COCc1ccc(cc1Br)OC 34a_100138415774_100011982828 [0,2,0,0,0,0|2,0,0]=4 5929 B12R1.114 COCc1ccc(cc1Br)OC 7a_100011982768_200000210301 [0,2,0,0,0,0|2,0,0]=4 5930 B12R1.114 COCc1ccc(cc1Cl)C#N 34a_100138415774_100000709902 [0,2,0,0,0,0|1,0,1]=4 5931 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100011982767_200000210301 [0,2,0,0,0,0|2,0,0]=4 5932 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100138415774_200011830453 [0,2,0,0,0,0|2,0,0]=4 5933 B12R1.114 COCc1ccc(cc1Cl)OC 7a_100011982767_200000210301 [0,2,0,0,0,0|2,0,0]=4 5934 B12R1.114 COCc1ccc(cc1F)C#N 34a_100000752871_200000210301 [0,2,0,0,0,0|1,0,1]=4 5935 B12R1.114 COCc1ccc(cc1F)C#N 34a_100138415774_100000239720 [0,2,0,0,0,0|1,0,1]=4 5936 B12R1.114 COCc1ccc(cc1F)C#N 7a_100000752871_200000210301 [0,2,0,0,0,0|1,0,1]=4 5937 B12R1.114 COCc1ccc(cc1F)N[13CH3] 34a_100012145864_200025704644 [0,2,0,0,0,0|2,0,0]=4 5938 B12R1.114 COCc1ccc(cc1F)N[13CH3] 7a_100012145864_200025704644 [0,2,0,0,0,0|2,0,0]=4 5939 B12R1.114 COCc1ccc(cc1F)OC 34a_100011830421_200000210301 [0,2,0,0,0,0|2,0,0]=4 5940 B12R1.114 COCc1ccc(cc1F)OC 34a_100138415774_100011260761 [0,2,0,0,0,0|2,0,0]=4 5941 B12R1.114 COCc1ccc(cc1F)OC 7a_100011830421_200000210301 [0,2,0,0,0,0|2,0,0]=4 5942 B12R1.114 COCc1ccc(cc1I)C#N 34a_100138415774_100010079267 [0,2,0,0,0,0|1,0,1]=4 5943 B12R1.114 COCc1ccc(cc1N)OC 34a_100011998734_200000210301 [0,2,0,0,0,0|2,0,0]=4 5944 B12R1.114 COCc1ccc(cc1N)SC 62a_100013084866_200000210301 [0,2,0,0,0,0|2,0,0]=4 5945 B12R1.114 COCc1ccc(cc1N)SC 62a_200000210301_100013084866 [0,2,0,0,0,0|2,0,0]=4 5946 B12R1.114 COCc1ccc(cc1N)S[13CH3] 62a_100013084866_200025704644 [0,2,0,0,0,0|2,0,0]=4 5947 B12R1.114 COCc1ccc(cc1N)S[13CH3] 62a_200025704644_100013084866 [0,2,0,0,0,0|2,0,0]=4 5948 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 34a_100011982768_200025704644 [0,2,0,0,0,0|2,0,0]=4 5949 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 7a_100011982768_200025704644 [0,2,0,0,0,0|2,0,0]=4 5950 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_100011982828_200000210301 [0,2,0,0,0,0|2,0,0]=4 5951 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_200000210301_100011982828 [0,2,0,0,0,0|2,0,0]=4 5952 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_100011982828_200025704644 [0,2,0,0,0,0|2,0,0]=4 5953 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_200025704644_100011982828 [0,2,0,0,0,0|2,0,0]=4 5954 B12R1.114 COc1ccc(c(c1)Cl)CN[13CH3] 34a_100138410423_200025704644 [0,2,0,0,0,0|2,0,0]=4 5955 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 34a_100011982767_200025704644 [0,2,0,0,0,0|2,0,0]=4 5956 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 7a_100011982767_200025704644 [0,2,0,0,0,0|2,0,0]=4 5957 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200000210301_200011830453 [0,2,0,0,0,0|2,0,0]=4 5958 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200011830453_200000210301 [0,2,0,0,0,0|2,0,0]=4 5959 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200011830453_200025704644 [0,2,0,0,0,0|2,0,0]=4 5960 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_200011830453 [0,2,0,0,0,0|2,0,0]=4 5961 B12R1.114 COc1ccc(c(c1)F)CN[13CH3] 34a_100000687396_200025704644 [0,2,0,0,0,0|2,0,0]=4 5962 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 34a_100011830421_200025704644 [0,2,0,0,0,0|2,0,0]=4 5963 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 7a_100011830421_200025704644 [0,2,0,0,0,0|2,0,0]=4 5964 B12R1.114 COc1ccc(c(c1)F)CSC 62a_100011260761_200000210301 [0,2,0,0,0,0|2,0,0]=4 5965 B12R1.114 COc1ccc(c(c1)F)CSC 62a_200000210301_100011260761 [0,2,0,0,0,0|2,0,0]=4 5966 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_100011260761_200025704644 [0,2,0,0,0,0|2,0,0]=4 5967 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011260761 [0,2,0,0,0,0|2,0,0]=4 5968 B12R1.114 COc1ccc(c(c1)N)CO[13CH3] 34a_100011998734_200025704644 [0,2,0,0,0,0|2,0,0]=4 5969 B12R1.114 CSCc1ccc(cc1Br)C#N 62a_100000694769_200000210301 [0,2,0,0,0,0|1,0,1]=4 5970 B12R1.114 CSCc1ccc(cc1Br)C#N 62a_200000210301_100000694769 [0,2,0,0,0,0|1,0,1]=4 5971 B12R1.114 CSCc1ccc(cc1Cl)C#N 62a_200000210301_100000709902 [0,2,0,0,0,0|1,0,1]=4 5972 B12R1.114 CSCc1ccc(cc1F)C#N 62a_200000210301_100000239720 [0,2,0,0,0,0|1,0,1]=4 5973 B12R1.114 CSCc1ccc(cc1I)C#N 62a_100010079267_200000210301 [0,2,0,0,0,0|1,0,1]=4 5974 B12R1.114 CSCc1ccc(cc1I)C#N 62a_200000210301_100010079267 [0,2,0,0,0,0|1,0,1]=4 5975 B12R1.114 CSc1ccc(c(c1)F)CCO 62a_100011962869_200000210301 [0,2,0,0,0,0|2,0,0]=4 5976 B12R1.114 CSc1ccc(c(c1)F)CCO 62a_200000210301_100011962869 [0,2,0,0,0,0|2,0,0]=4 5977 B12R1.114 Cc1cc(ccc1SCF)C=O 62a_100000765772_100015361967 [0,2,0,0,0,0|1,0,0]=3 5978 B12R1.114 Cc1cc(ccc1SCF)C=O 62a_100015361967_100000765772 [0,2,0,0,0,0|1,0,0]=3 5979 B12R1.114 Cc1cc(cnc1SCF)C=O 62a_100000070293_100015361967 [0,2,0,0,0,0|2,0,0]=4 5980 B12R1.114 Cc1cc(cnc1SCF)C=O 62a_100015361967_100000070293 [0,2,0,0,0,0|2,0,0]=4 5981 B12R1.114 Cc1cc(ncc1SCF)C=O 62a_100009814806_100015361967 [0,2,0,0,0,0|2,0,0]=4 5982 B12R1.114 Cc1cc(ncc1SCF)C=O 62a_100015361967_100009814806 [0,2,0,0,0,0|2,0,0]=4 5983 B12R1.114 Cc1nc(ccc1SCF)C=O 62a_100010238520_100015361967 [0,2,0,0,0,0|2,0,0]=4 5984 B12R1.114 Cc1nc(ccc1SCF)C=O 62a_100015361967_100010238520 [0,2,0,0,0,0|2,0,0]=4 5985 B12R1.114 O=Cc1ccc(c(c1)F)SCF 62a_100000686674_100015361967 [0,2,0,0,0,0|1,0,0]=3 5986 B12R1.114 O=Cc1ccc(c(c1)F)SCF 62a_100015361967_100000686674 [0,2,0,0,0,0|1,0,0]=3 5987 B12R1.114 O=Cc1ccc(c(c1)O)SCF 62a_100000041418_100015361967 [0,2,0,0,0,0|1,0,0]=3 5988 B12R1.114 O=Cc1ccc(c(c1)O)SCF 62a_100015361967_100000041418 [0,2,0,0,0,0|1,0,0]=3 5989 B12R1.114 O=Cc1cnc(c(c1)F)SCF 62a_100009866847_100015361967 [0,2,0,0,0,0|2,0,0]=4 5990 B12R1.114 O=Cc1cnc(c(c1)F)SCF 62a_100015361967_100009866847 [0,2,0,0,0,0|2,0,0]=4 5991 B12R1.114 [13CH3]NCc1ccc(cc1Br)C#N 34a_114948178924_200025704644 [0,2,0,0,0,0|1,0,1]=4 5992 B12R1.114 [13CH3]NCc1ccc(cc1F)C#N 34a_100000749714_200025704644 [0,2,0,0,0,0|1,0,1]=4 5993 B12R1.114 [13CH3]OCc1ccc(cc1Br)C#N 34a_100010214422_200025704644 [0,2,0,0,0,0|1,0,1]=4 5994 B12R1.114 [13CH3]OCc1ccc(cc1Br)C#N 7a_100010214422_200025704644 [0,2,0,0,0,0|1,0,1]=4 5995 B12R1.114 [13CH3]OCc1ccc(cc1F)C#N 34a_100000752871_200025704644 [0,2,0,0,0,0|1,0,1]=4 5996 B12R1.114 [13CH3]OCc1ccc(cc1F)C#N 7a_100000752871_200025704644 [0,2,0,0,0,0|1,0,1]=4 5997 B12R1.114 [13CH3]SCc1ccc(cc1Br)C#N 62a_100000694769_200025704644 [0,2,0,0,0,0|1,0,1]=4 5998 B12R1.114 [13CH3]SCc1ccc(cc1Br)C#N 62a_200025704644_100000694769 [0,2,0,0,0,0|1,0,1]=4 5999 B12R1.114 [13CH3]SCc1ccc(cc1Cl)C#N 62a_200025704644_100000709902 [0,2,0,0,0,0|1,0,1]=4 6000 B12R1.114 [13CH3]SCc1ccc(cc1F)C#N 62a_200025704644_100000239720 [0,2,0,0,0,0|1,0,1]=4 6001 B12R1.114 [13CH3]SCc1ccc(cc1I)C#N 62a_100010079267_200025704644 [0,2,0,0,0,0|1,0,1]=4 6002 B12R1.114 [13CH3]SCc1ccc(cc1I)C#N 62a_200025704644_100010079267 [0,2,0,0,0,0|1,0,1]=4 6003 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CCO 62a_100011962869_200025704644 [0,2,0,0,0,0|2,0,0]=4 6004 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CCO 62a_200025704644_100011962869 [0,2,0,0,0,0|2,0,0]=4 6005 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100000210202_100016259036 [0,2,0,0,0,0|1,0,0]=3 6006 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100016259036_100000210202 [0,2,0,0,0,0|1,0,0]=3 6007 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100015361967_100016259036 [0,2,0,0,0,0|2,0,0]=4 6008 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100016259036_100015361967 [0,2,0,0,0,0|2,0,0]=4 6009 B12R1.116 C=C=Cc1ccc(cc1)/C=C/C 271570a_100015277604_100016259036 [0,2,0,0,0,0|1,0,1]=4 6010 B12R1.116 C=C=Cc1ccc(cc1)CC#N 271570a_100015277604_100011217881 [0,2,0,0,0,0|1,0,1]=4 6011 B12R1.116 C=C=Cc1ccc(cc1)CC=O 271570a_100015277604_100011361690 [0,2,0,0,0,0|0,0,2]=4 6012 B12R1.116 C=C=Cc1ccc(cc1)CCC 271570a_100015277604_100000750032 [0,2,0,0,0,0|1,0,0]=3 6013 B12R1.116 C=C=Cc1ccc(cc1)CCN 271570a_100015277604_100000755846 [0,2,0,0,0,0|1,0,0]=3 6014 B12R1.116 C=C=Cc1ccc(cc1)CCO 271570a_100015277604_100000766406 [0,2,0,0,0,0|1,0,0]=3 6015 B12R1.116 C=C=Cc1ccc(cc1)CNC 271570a_100015277604_100000180866 [0,2,0,0,0,0|1,0,0]=3 6016 B12R1.116 C=C=Cc1ccc(cc1)CNN 271570a_100015277604_100016993955 [0,2,0,0,0,0|2,0,0]=4 6017 B12R1.116 C=C=Cc1ccc(cc1)COC 271570a_100015277604_100011493685 [0,2,0,0,0,0|1,0,0]=3 6018 B12R1.116 C=C=Cc1ccc(cc1)NCC 271570a_100015277604_100000219632 [0,2,0,0,0,0|1,0,0]=3 6019 B12R1.116 C=C=Cc1ccc(cc1)OCC 271570a_100015277604_100000169946 [0,2,0,0,0,0|1,0,0]=3 6020 B12R1.116 C=C=Cc1ccc(cc1)SCC 271570a_100015277604_200009811893 [0,2,0,0,0,0|1,0,0]=3 6021 B12R1.116 C=C=Cc1ccc(cn1)CCO 271570a_100015277604_100009880866 [0,2,0,0,0,0|2,0,0]=4 6022 B12R1.116 C=C=Cc1ccc(cn1)CNC 271570a_100015277604_100000026953 [0,2,0,0,0,0|2,0,0]=4 6023 B12R1.116 C=C=Cc1ccc(cn1)CSC 271570a_100015277604_100000753673 [0,2,0,0,0,0|2,0,0]=4 6024 B12R1.116 C=C=Cc1ccc(cn1)OCC 271570a_100015277604_100000753957 [0,2,0,0,0,0|2,0,0]=4 6025 B12R1.116 C=C=Cc1ccc(nc1)CCO 271570a_100015277604_100012357577 [0,2,0,0,0,0|2,0,0]=4 6026 B12R1.116 C=C=Cc1ccc(nc1)NCC 271570a_100015277604_100000741496 [0,2,0,0,0,0|2,0,0]=4 6027 B12R1.116 C=C=Cc1ccc(nc1)OCC 271570a_100015277604_100011219444 [0,2,0,0,0,0|2,0,0]=4 6028 B12R1.116 C=C=Cc1ccc(nc1)SCC 271570a_100015277604_100000690189 [0,2,0,0,0,0|2,0,0]=4 6029 B12R1.116 C=CCc1ccc(cc1)CNC 26a_100102657272_100000078792 [0,2,0,0,0,0|1,0,0]=3 6030 B12R1.116 C=CCc1ccc(cc1)OCC 34a_100000078792_100000210202 [0,2,0,0,0,0|1,0,0]=3 6031 B12R1.116 C=CCc1ccc(cc1)OCC 7a_100000078792_100000210202 [0,2,0,0,0,0|1,0,0]=3 6032 B12R1.116 C=CCc1ccc(cc1)OCF 34a_100000078792_100015361967 [0,2,0,0,0,0|2,0,0]=4 6033 B12R1.116 C=CCc1ccc(cc1)OCF 7a_100000078792_100015361967 [0,2,0,0,0,0|2,0,0]=4 6034 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000210202_100000704263 [0,2,0,0,0,0|1,0,0]=3 6035 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000704263_100000210202 [0,2,0,0,0,0|1,0,0]=3 6036 B12R1.116 C=COc1ccc(cc1)SCF 62a_100000704263_100015361967 [0,2,0,0,0,0|2,0,0]=4 6037 B12R1.116 C=COc1ccc(cc1)SCF 62a_100015361967_100000704263 [0,2,0,0,0,0|2,0,0]=4 6038 B12R1.116 CC=Cc1ccc(cc1)/C=C/Br 271570a_100016259895_200016255901 [0,2,0,0,0,0|1,0,1]=4 6039 B12R1.116 CC=Cc1ccc(cc1)/C=C/C 271570a_100016259895_100016259036 [0,2,0,0,0,0|1,0,1]=4 6040 B12R1.116 CC=Cc1ccc(cc1)CC#N 271570a_100016259895_100011217881 [0,2,0,0,0,0|1,0,1]=4 6041 B12R1.116 CC=Cc1ccc(cc1)CC=O 271570a_100016259895_100011361690 [0,2,0,0,0,0|0,0,1]=3 6042 B12R1.116 CC=Cc1ccc(cc1)CCC 271570a_100016259895_100000750032 [0,2,0,0,0,0|1,0,0]=3 6043 B12R1.116 CC=Cc1ccc(cc1)CCN 271570a_100016259895_100000755846 [0,2,0,0,0,0|1,0,0]=3 6044 B12R1.116 CC=Cc1ccc(cc1)CCO 271570a_100016259895_100000766406 [0,2,0,0,0,0|1,0,0]=3 6045 B12R1.116 CC=Cc1ccc(cc1)CNC 271570a_100016259895_100000180866 [0,2,0,0,0,0|1,0,0]=3 6046 B12R1.116 CC=Cc1ccc(cc1)CNN 271570a_100016259895_100016993955 [0,2,0,0,0,0|2,0,0]=4 6047 B12R1.116 CC=Cc1ccc(cc1)COC 271570a_100016259895_100011493685 [0,2,0,0,0,0|1,0,0]=3 6048 B12R1.116 CC=Cc1ccc(cc1)NCC 271570a_100016259895_100000219632 [0,2,0,0,0,0|1,0,0]=3 6049 B12R1.116 CC=Cc1ccc(cc1)OCC 271570a_100016259895_100000169946 [0,2,0,0,0,0|1,0,0]=3 6050 B12R1.116 CC=Cc1ccc(cc1)SCC 271570a_100016259895_200009811893 [0,2,0,0,0,0|1,0,0]=3 6051 B12R1.116 CC=Cc1ccc(cn1)CCO 271570a_100016259895_100009880866 [0,2,0,0,0,0|2,0,0]=4 6052 B12R1.116 CC=Cc1ccc(cn1)CNC 271570a_100016259895_100000026953 [0,2,0,0,0,0|2,0,0]=4 6053 B12R1.116 CC=Cc1ccc(cn1)CSC 271570a_100016259895_100000753673 [0,2,0,0,0,0|2,0,0]=4 6054 B12R1.116 CC=Cc1ccc(cn1)OCC 271570a_100016259895_100000753957 [0,2,0,0,0,0|2,0,0]=4 6055 B12R1.116 CC=Cc1ccc(nc1)CCO 271570a_100016259895_100012357577 [0,2,0,0,0,0|2,0,0]=4 6056 B12R1.116 CC=Cc1ccc(nc1)NCC 271570a_100016259895_100000741496 [0,2,0,0,0,0|2,0,0]=4 6057 B12R1.116 CC=Cc1ccc(nc1)OCC 271570a_100016259895_100011219444 [0,2,0,0,0,0|2,0,0]=4 6058 B12R1.116 CC=Cc1ccc(nc1)SCC 271570a_100016259895_100000690189 [0,2,0,0,0,0|2,0,0]=4 6059 B12R1.116 CCCc1ccc(cc1)CNC 207a_100102657272_100000229940 [0,2,0,0,0,0|1,0,1]=4 6060 B12R1.116 CCCc1ccc(cc1)CNC 2230a_100020632977_200000210301 [0,2,0,0,0,0|1,0,1]=4 6061 B12R1.116 CCCc1ccc(cc1)CNC 2230a_106832991635_100011982809 [0,2,0,0,0,0|1,0,1]=4 6062 B12R1.116 CCCc1ccc(cc1)CNC 26a_100102657272_100000749406 [0,2,0,0,0,0|1,0,1]=4 6063 B12R1.116 CCCc1ccc(cc1)CNC 270004a_106832991635_100000229940 [0,2,0,0,0,0|1,0,1]=4 6064 B12R1.116 CCCc1ccc(cc1)CNC 34a_100020632977_200000210301 [0,2,0,0,0,0|1,0,1]=4 6065 B12R1.116 CCCc1ccc(cc1)CNC 34a_100102657272_100011982809 [0,2,0,0,0,0|1,0,1]=4 6066 B12R1.116 CCCc1ccc(cc1)CNC 7a_106832991635_100011982809 [0,2,0,0,0,0|1,0,1]=4 6067 B12R1.116 CCCc1ccc(cc1)CN[13CH3] 2230a_100020632977_200025704644 [0,2,0,0,0,0|1,0,1]=4 6068 B12R1.116 CCCc1ccc(cc1)CN[13CH3] 34a_100020632977_200025704644 [0,2,0,0,0,0|1,0,1]=4 6069 B12R1.116 CCCc1ccc(cc1)COC 34a_100138415774_100011982809 [0,2,0,0,0,0|0,0,2]=4 6070 B12R1.116 CCCc1ccc(cc1)CSC 62a_100011982809_200000210301 [0,2,0,0,0,0|0,1,1]=4 6071 B12R1.116 CCCc1ccc(cc1)CSC 62a_200000210301_100011982809 [0,2,0,0,0,0|0,1,1]=4 6072 B12R1.116 CCCc1ccc(cc1)CS[13CH3] 62a_100011982809_200025704644 [0,2,0,0,0,0|0,1,1]=4 6073 B12R1.116 CCCc1ccc(cc1)CS[13CH3] 62a_200025704644_100011982809 [0,2,0,0,0,0|0,1,1]=4 6074 B12R1.116 CCCc1ccc(cc1)NCC 2230a_100000211780_100000210202 [0,2,0,0,0,0|1,0,1]=4 6075 B12R1.116 CCCc1ccc(cc1)NCC 34a_100000211780_100000210202 [0,2,0,0,0,0|1,0,1]=4 6076 B12R1.116 CCCc1ccc(cc1)NCF 34a_100000211780_100015361967 [0,2,0,0,0,0|1,0,1]=4 6077 B12R1.116 CCCc1ccc(cc1)OCC 34a_100000749406_100000210202 [0,2,0,0,0,0|1,0,1]=4 6078 B12R1.116 CCCc1ccc(cc1)OCC 7a_100000749406_100000210202 [0,2,0,0,0,0|1,0,1]=4 6079 B12R1.116 CCCc1ccc(cc1)OCF 34a_100000749406_100015361967 [0,2,0,0,0,0|1,0,1]=4 6080 B12R1.116 CCCc1ccc(cc1)OCF 7a_100000749406_100015361967 [0,2,0,0,0,0|1,0,1]=4 6081 B12R1.116 CCCc1ccc(cc1)SCC 62a_100000210202_100000750032 [0,2,0,0,0,0|1,0,1]=4 6082 B12R1.116 CCCc1ccc(cc1)SCC 62a_100000750032_100000210202 [0,2,0,0,0,0|1,0,1]=4 6083 B12R1.116 CCCc1ccc(cc1)SCF 62a_100000750032_100015361967 [0,2,0,0,0,0|1,0,1]=4 6084 B12R1.116 CCCc1ccc(cc1)SCF 62a_100015361967_100000750032 [0,2,0,0,0,0|1,0,1]=4 6085 B12R1.116 CCNc1ccc(cc1)CC#N 34a_100000198999_100000210202 [0,2,0,0,0,0|1,0,1]=4 6086 B12R1.116 CCNc1ccc(cc1)CCO 2230a_100011204434_100000210202 [0,2,0,0,0,0|0,0,2]=4 6087 B12R1.116 CCNc1ccc(cc1)CCO 34a_100011204434_100000210202 [0,2,0,0,0,0|0,0,2]=4 6088 B12R1.116 CCNc1ccc(cc1)COC 34a_100000694113_100000210202 [0,2,0,0,0,0|0,0,2]=4 6089 B12R1.116 CCNc1ccc(cc1)CSC 2230a_106726388226_100000210202 [0,2,0,0,0,0|0,1,1]=4 6090 B12R1.116 CCNc1ccc(cc1)CSC 34a_106726388226_100000210202 [0,2,0,0,0,0|0,1,1]=4 6091 B12R1.116 CCNc1ccc(cc1)CSC 7a_106726388226_100000210202 [0,2,0,0,0,0|0,1,1]=4 6092 B12R1.116 CCNc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_100000210202 [0,2,0,0,0,0|2,0,0]=4 6093 B12R1.116 CCNc1ccc(cc1)OCC 2230a_100000739623_100000210202 [0,2,0,0,0,0|1,0,1]=4 6094 B12R1.116 CCNc1ccc(cc1)OCC 34a_100000739623_100000210202 [0,2,0,0,0,0|1,0,1]=4 6095 B12R1.116 CCNc1ccc(cc1)OCC 34a_100011337800_100000210202 [0,2,0,0,0,0|1,0,1]=4 6096 B12R1.116 CCNc1ccc(cc1)OCC 7a_100011337800_100000210202 [0,2,0,0,0,0|1,0,1]=4 6097 B12R1.116 CCNc1ccc(cc1)OCF 34a_100011337800_100015361967 [0,2,0,0,0,0|1,0,1]=4 6098 B12R1.116 CCNc1ccc(cc1)OCF 7a_100011337800_100015361967 [0,2,0,0,0,0|1,0,1]=4 6099 B12R1.116 CCNc1ccc(cc1)SCC 34a_100015187087_100000210202 [0,2,0,0,0,0|1,0,1]=4 6100 B12R1.116 CCNc1ccc(cc1)SCC 62a_100000210202_100000219632 [0,2,0,0,0,0|1,0,1]=4 6101 B12R1.116 CCNc1ccc(cc1)SCF 62a_100015361967_100000219632 [0,2,0,0,0,0|1,0,1]=4 6102 B12R1.116 CCOc1ccc(cc1)CC#N 34a_100000198970_100000210202 [0,2,0,0,0,0|1,0,1]=4 6103 B12R1.116 CCOc1ccc(cc1)CC#N 7a_100000198970_100000210202 [0,2,0,0,0,0|1,0,1]=4 6104 B12R1.116 CCOc1ccc(cc1)CCBr 34a_100009816426_100000210202 [0,2,0,0,0,0|1,0,1]=4 6105 B12R1.116 CCOc1ccc(cc1)CCBr 7a_100009816426_100000210202 [0,2,0,0,0,0|1,0,1]=4 6106 B12R1.116 CCOc1ccc(cc1)CCN 34a_100000743037_100000210202 [0,2,0,0,0,0|1,0,1]=4 6107 B12R1.116 CCOc1ccc(cc1)CCO 34a_100011215338_100000210202 [0,2,0,0,0,0|0,0,2]=4 6108 B12R1.116 CCOc1ccc(cc1)CCO 7a_100011215338_100000210202 [0,2,0,0,0,0|0,0,2]=4 6109 B12R1.116 CCOc1ccc(cc1)CNC 207a_100102657272_100000169836 [0,2,0,0,0,0|1,0,1]=4 6110 B12R1.116 CCOc1ccc(cc1)CNC 2230a_100000185588_200000210301 [0,2,0,0,0,0|1,0,1]=4 6111 B12R1.116 CCOc1ccc(cc1)CNC 270004a_106832991635_100000169836 [0,2,0,0,0,0|1,0,1]=4 6112 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000185588_200000210301 [0,2,0,0,0,0|1,0,1]=4 6113 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000207500_100000210202 [0,2,0,0,0,0|1,0,1]=4 6114 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 2230a_100000185588_200025704644 [0,2,0,0,0,0|1,0,1]=4 6115 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 34a_100000185588_200025704644 [0,2,0,0,0,0|1,0,1]=4 6116 B12R1.116 CCOc1ccc(cc1)COC 34a_100000173027_200000210301 [0,2,0,0,0,0|0,0,2]=4 6117 B12R1.116 CCOc1ccc(cc1)COC 34a_200011995677_100000210202 [0,2,0,0,0,0|0,0,2]=4 6118 B12R1.116 CCOc1ccc(cc1)COC 7a_100000173027_200000210301 [0,2,0,0,0,0|0,0,2]=4 6119 B12R1.116 CCOc1ccc(cc1)COC 7a_200011995677_100000210202 [0,2,0,0,0,0|0,0,2]=4 6120 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 34a_100000173027_200025704644 [0,2,0,0,0,0|0,0,2]=4 6121 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 7a_100000173027_200025704644 [0,2,0,0,0,0|0,0,2]=4 6122 B12R1.116 CCOc1ccc(cc1)NCF 34a_100000739623_100015361967 [0,2,0,0,0,0|1,0,1]=4 6123 B12R1.116 CCOc1ccc(cc1)OCC 34a_100000185467_100000210202 [0,2,0,0,0,0|1,0,1]=4 6124 B12R1.116 CCOc1ccc(cc1)OCF 34a_100000185467_100015361967 [0,2,0,0,0,0|1,0,1]=4 6125 B12R1.116 CCOc1ccc(cc1)SCC 62a_100000210202_100000171712 [0,2,0,0,0,0|1,0,1]=4 6126 B12R1.116 CCOc1ccc(cc1)SCF 62a_100015361967_100000171712 [0,2,0,0,0,0|1,0,1]=4 6127 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_100000210202_200016255901 [0,2,0,0,0,0|1,0,0]=3 6128 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210202 [0,2,0,0,0,0|1,0,0]=3 6129 B12R1.116 CCSc1ccc(cc1)CC#N 62a_100000210202_100011217881 [0,2,0,0,0,0|1,0,1]=4 6130 B12R1.116 CCSc1ccc(cc1)CC#N 62a_100011217881_100000210202 [0,2,0,0,0,0|1,0,1]=4 6131 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100000210202_100011361690 [0,2,0,0,0,0|0,0,0]=2 6132 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100011361690_100000210202 [0,2,0,0,0,0|0,0,0]=2 6133 B12R1.116 CCSc1ccc(cc1)CCN 62a_100000210202_100000755846 [0,2,0,0,0,0|1,0,1]=4 6134 B12R1.116 CCSc1ccc(cc1)CCN 62a_100000755846_100000210202 [0,2,0,0,0,0|1,0,1]=4 6135 B12R1.116 CCSc1ccc(cc1)CCO 62a_100000210202_100000766406 [0,2,0,0,0,0|0,0,2]=4 6136 B12R1.116 CCSc1ccc(cc1)CCO 62a_100000766406_100000210202 [0,2,0,0,0,0|0,0,2]=4 6137 B12R1.116 CCSc1ccc(cc1)CNC 62a_100000180866_100000210202 [0,2,0,0,0,0|1,0,1]=4 6138 B12R1.116 CCSc1ccc(cc1)CNC 62a_100000210202_100000180866 [0,2,0,0,0,0|1,0,1]=4 6139 B12R1.116 CCSc1ccc(cc1)CNN 62a_100000210202_100016993955 [0,2,0,0,0,0|1,0,1]=4 6140 B12R1.116 CCSc1ccc(cc1)CNN 62a_100016993955_100000210202 [0,2,0,0,0,0|1,0,1]=4 6141 B12R1.116 CCSc1ccc(cc1)COC 62a_100000210202_100011493685 [0,2,0,0,0,0|0,0,2]=4 6142 B12R1.116 CCSc1ccc(cc1)COC 62a_100011493685_100000210202 [0,2,0,0,0,0|0,0,2]=4 6143 B12R1.116 CCSc1ccc(cc1)N=[N+]=[N-] 62a_100000210202_100000735661 [0,2,0,0,0,0|2,0,0]=4 6144 B12R1.116 CCSc1ccc(cc1)NC#N 62a_100000210202_100011685341 [0,2,0,0,0,0|1,0,1]=4 6145 B12R1.116 CCSc1ccc(cc1)NCF 34a_100015187087_100015361967 [0,2,0,0,0,0|1,0,1]=4 6146 B12R1.116 CCSc1ccc(cc1)SCC 62a_100000210202_200009811893 [0,2,0,0,0,0|1,0,1]=4 6147 B12R1.116 CCSc1ccc(cc1)SCC 62a_200009811893_100000210202 [0,2,0,0,0,0|1,0,1]=4 6148 B12R1.116 CCSc1ccc(cc1)SCF 62a_100015361967_200009811893 [0,2,0,0,0,0|1,0,1]=4 6149 B12R1.116 CCSc1ccc(cc1)SCF 62a_200009811893_100015361967 [0,2,0,0,0,0|1,0,1]=4 6150 B12R1.116 CNCc1ccc(cc1)CCBr 26a_100102657272_100009816426 [0,2,0,0,0,0|1,0,1]=4 6151 B12R1.116 CNCc1ccc(cc1)CCN 26a_100102657272_100000743037 [0,2,0,0,0,0|1,0,1]=4 6152 B12R1.116 CNCc1ccc(cc1)CCO 26a_100102657272_100011215338 [0,2,0,0,0,0|0,0,2]=4 6153 B12R1.116 CNCc1ccc(cc1)COC 2230a_100000738208_200000210301 [0,2,0,0,0,0|0,0,2]=4 6154 B12R1.116 CNCc1ccc(cc1)COC 26a_100102657272_200011995677 [0,2,0,0,0,0|0,0,2]=4 6155 B12R1.116 CNCc1ccc(cc1)COC 34a_100000738208_200000210301 [0,2,0,0,0,0|0,0,2]=4 6156 B12R1.116 CNCc1ccc(cc1)OCF 34a_100000207500_100015361967 [0,2,0,0,0,0|1,0,1]=4 6157 B12R1.116 CNCc1ccc(cc1)SCF 62a_100000180866_100015361967 [0,2,0,0,0,0|1,0,1]=4 6158 B12R1.116 CNCc1ccc(cc1)SCF 62a_100015361967_100000180866 [0,2,0,0,0,0|1,0,1]=4 6159 B12R1.116 COCc1ccc(cc1)CC#N 7a_100000695229_200000210301 [0,2,0,0,0,0|1,0,1]=4 6160 B12R1.116 COCc1ccc(cc1)CN[13CH3] 2230a_100000738208_200025704644 [0,2,0,0,0,0|0,0,2]=4 6161 B12R1.116 COCc1ccc(cc1)CN[13CH3] 34a_100000738208_200025704644 [0,2,0,0,0,0|0,0,2]=4 6162 B12R1.116 COCc1ccc(cc1)NCF 34a_100000694113_100015361967 [0,2,0,0,0,0|1,0,1]=4 6163 B12R1.116 COCc1ccc(cc1)OCF 34a_200011995677_100015361967 [0,2,0,0,0,0|1,0,1]=4 6164 B12R1.116 COCc1ccc(cc1)OCF 7a_200011995677_100015361967 [0,2,0,0,0,0|1,0,1]=4 6165 B12R1.116 COCc1ccc(cc1)SCF 62a_100011493685_100015361967 [0,2,0,0,0,0|1,0,1]=4 6166 B12R1.116 COCc1ccc(cc1)SCF 62a_100015361967_100011493685 [0,2,0,0,0,0|1,0,1]=4 6167 B12R1.116 CSCc1ccc(cc1)NCF 34a_106726388226_100015361967 [0,2,0,0,0,0|1,0,1]=4 6168 B12R1.116 CSCc1ccc(cc1)NCF 7a_106726388226_100015361967 [0,2,0,0,0,0|1,0,1]=4 6169 B12R1.116 FCOc1ccc(cc1)CCBr 34a_100009816426_100015361967 [0,2,0,0,0,0|1,0,1]=4 6170 B12R1.116 FCOc1ccc(cc1)CCBr 7a_100009816426_100015361967 [0,2,0,0,0,0|1,0,1]=4 6171 B12R1.116 FCSc1ccc(cc1)/C=C/Br 62a_100015361967_200016255901 [0,2,0,0,0,0|2,0,0]=4 6172 B12R1.116 FCSc1ccc(cc1)/C=C/Br 62a_200016255901_100015361967 [0,2,0,0,0,0|2,0,0]=4 6173 B12R1.116 NCCc1ccc(cc1)OCF 34a_100000743037_100015361967 [0,2,0,0,0,0|1,0,1]=4 6174 B12R1.116 NCCc1ccc(cc1)SCF 62a_100000755846_100015361967 [0,2,0,0,0,0|1,0,1]=4 6175 B12R1.116 NCCc1ccc(cc1)SCF 62a_100015361967_100000755846 [0,2,0,0,0,0|1,0,1]=4 6176 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100011361690_100015361967 [0,2,0,0,0,0|1,0,0]=3 6177 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100015361967_100011361690 [0,2,0,0,0,0|1,0,0]=3 6178 B12R1.116 OCCc1ccc(cc1)NCF 34a_100011204434_100015361967 [0,2,0,0,0,0|1,0,1]=4 6179 B12R1.116 OCCc1ccc(cc1)OCF 34a_100011215338_100015361967 [0,2,0,0,0,0|1,0,1]=4 6180 B12R1.116 OCCc1ccc(cc1)OCF 7a_100011215338_100015361967 [0,2,0,0,0,0|1,0,1]=4 6181 B12R1.116 OCCc1ccc(cc1)SCF 62a_100000766406_100015361967 [0,2,0,0,0,0|1,0,1]=4 6182 B12R1.116 OCCc1ccc(cc1)SCF 62a_100015361967_100000766406 [0,2,0,0,0,0|1,0,1]=4 6183 B12R1.116 [13CH3]OCc1ccc(cc1)CC#N 7a_100000695229_200025704644 [0,2,0,0,0,0|1,0,1]=4 6184 B12R1.288 C#Cc1ccc(cc1Cl)NCC 2230a_100012001888_100000210202 [0,2,0,0,0,0|1,0,1]=4 6185 B12R1.288 C#Cc1ccc(cc1Cl)NCC 34a_100012001888_100000210202 [0,2,0,0,0,0|1,0,1]=4 6186 B12R1.288 C#Cc1ccc(cc1F)NCC 2230a_100012001886_100000210202 [0,2,0,0,0,0|1,0,1]=4 6187 B12R1.288 C#Cc1ccc(cc1F)NCC 34a_100012001886_100000210202 [0,2,0,0,0,0|1,0,1]=4 6188 B12R1.288 C=C=Cc1ccc(c(c1)Br)C=O 271570a_100015277604_100010185650 [0,2,0,0,0,0|0,0,2]=4 6189 B12R1.288 C=C=Cc1ccc(c(c1)Br)CO 271570a_100015277604_100010240206 [0,2,0,0,0,0|2,0,0]=4 6190 B12R1.288 C=C=Cc1ccc(c(c1)Br)OC 271570a_100015277604_100011249507 [0,2,0,0,0,0|2,0,0]=4 6191 B12R1.288 C=C=Cc1ccc(c(c1)C)C=O 271570a_100015277604_100000687586 [0,2,0,0,0,0|0,0,2]=4 6192 B12R1.288 C=C=Cc1ccc(c(c1)C)CF 271570a_100015277604_200010711859 [0,2,0,0,0,0|2,0,0]=4 6193 B12R1.288 C=C=Cc1ccc(c(c1)C)CN 271570a_100015277604_100000753881 [0,2,0,0,0,0|2,0,0]=4 6194 B12R1.288 C=C=Cc1ccc(c(c1)C)CO 271570a_100015277604_100000748258 [0,2,0,0,0,0|2,0,0]=4 6195 B12R1.288 C=C=Cc1ccc(c(c1)C)NC 271570a_100015277604_100000221803 [0,2,0,0,0,0|2,0,0]=4 6196 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [0,2,0,0,0,0|2,0,0]=4 6197 B12R1.288 C=C=Cc1ccc(c(c1)Cl)C=O 271570a_100015277604_100000727542 [0,2,0,0,0,0|0,0,2]=4 6198 B12R1.288 C=C=Cc1ccc(c(c1)Cl)OC 271570a_100015277604_100012355395 [0,2,0,0,0,0|2,0,0]=4 6199 B12R1.288 C=C=Cc1ccc(c(c1)Cl)SC 271570a_100015277604_206447510565 [0,2,0,0,0,0|2,0,0]=4 6200 B12R1.288 C=C=Cc1ccc(c(c1)F)C=O 271570a_100015277604_100000211676 [0,2,0,0,0,0|0,0,2]=4 6201 B12R1.288 C=C=Cc1ccc(c(c1)F)CC 271570a_100015277604_200010071577 [0,2,0,0,0,0|1,0,0]=3 6202 B12R1.288 C=C=Cc1ccc(c(c1)F)CN 271570a_100015277604_100000754580 [0,2,0,0,0,0|2,0,0]=4 6203 B12R1.288 C=C=Cc1ccc(c(c1)F)CO 271570a_100015277604_100011191541 [0,2,0,0,0,0|2,0,0]=4 6204 B12R1.288 C=C=Cc1ccc(c(c1)F)NC 271570a_100015277604_100000743884 [0,2,0,0,0,0|2,0,0]=4 6205 B12R1.288 C=C=Cc1ccc(c(c1)F)OC 271570a_100015277604_100000185480 [0,2,0,0,0,0|2,0,0]=4 6206 B12R1.288 C=C=Cc1ccc(c(c1)F)SC 271570a_100015277604_100010161220 [0,2,0,0,0,0|2,0,0]=4 6207 B12R1.288 C=C=Cc1ccc(c(c1)N)C=O 271570a_100015277604_100009814810 [0,2,0,0,0,0|0,0,2]=4 6208 B12R1.288 C=C=Cc1ccc(c(c1)N)CC 271570a_100015277604_100012354963 [0,2,0,0,0,0|1,0,0]=3 6209 B12R1.288 C=C=Cc1ccc(c(c1)N)CO 271570a_100015277604_100000718831 [0,2,0,0,0,0|2,0,0]=4 6210 B12R1.288 C=C=Cc1ccc(c(c1)N)NC 271570a_100015277604_100000741790 [0,2,0,0,0,0|2,0,0]=4 6211 B12R1.288 C=C=Cc1ccc(c(c1)N)OC 271570a_100015277604_100000743470 [0,2,0,0,0,0|2,0,0]=4 6212 B12R1.288 C=C=Cc1ccc(c(c1)O)C=O 271570a_100015277604_100011277552 [0,2,0,0,0,0|0,0,2]=4 6213 B12R1.288 C=C=Cc1ccc(c(c1)O)CO 271570a_100015277604_100000071718 [0,2,0,0,0,0|2,0,0]=4 6214 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [0,2,0,0,0,0|2,0,0]=4 6215 B12R1.288 C=Cc1ccc(cc1C)CC#N 271570a_100011290941_100000726167 [0,2,0,0,0,0|1,0,1]=4 6216 B12R1.288 C=Cc1ccc(cc1C)NCC 271570a_100011290941_100015183089 [0,2,0,0,0,0|1,0,0]=3 6217 B12R1.288 C=Cc1ccc(cc1C)OCC 271570a_100011290941_100012344538 [0,2,0,0,0,0|1,0,0]=3 6218 B12R1.288 C=Cc1ccc(cc1F)CC#N 271570a_100011290941_100000691973 [0,2,0,0,0,0|1,0,1]=4 6219 B12R1.288 C=Cc1ccc(cc1F)CCC 271570a_100011290941_200010686677 [0,2,0,0,0,0|1,0,0]=3 6220 B12R1.288 C=Cc1ccc(cc1F)CCO 271570a_100011290941_100012921202 [0,2,0,0,0,0|1,0,0]=3 6221 B12R1.288 C=Cc1ccc(cc1F)COC 271570a_100011290941_100010177442 [0,2,0,0,0,0|1,0,0]=3 6222 B12R1.288 C=Cc1ccc(cc1F)OCC 271570a_100011290941_100000692347 [0,2,0,0,0,0|1,0,0]=3 6223 B12R1.288 C=Cc1ccc(cc1F)SCC 62a_100000210202_100011935271 [0,2,0,0,0,0|1,0,0]=3 6224 B12R1.288 C=Cc1ccc(cc1F)SCC 62a_100011935271_100000210202 [0,2,0,0,0,0|1,0,0]=3 6225 B12R1.288 C=Cc1ccc(cc1F)SCF 62a_100011935271_100015361967 [0,2,0,0,0,0|2,0,0]=4 6226 B12R1.288 C=Cc1ccc(cc1F)SCF 62a_100015361967_100011935271 [0,2,0,0,0,0|2,0,0]=4 6227 B12R1.288 C=Cc1ccc(cc1N)COC 271570a_100011290941_200013033220 [0,2,0,0,0,0|1,0,0]=3 6228 B12R1.288 C=Cc1cnc(cc1C)OCC 271570a_100011290941_200012351029 [0,2,0,0,0,0|2,0,0]=4 6229 B12R1.288 CC=Cc1cc(c(cn1)C=O)C 271570a_100016259895_100000085382 [0,2,0,0,0,0|1,0,1]=4 6230 B12R1.288 CC=Cc1ccc(c(c1)Br)C=O 271570a_100016259895_100010185650 [0,2,0,0,0,0|0,0,1]=3 6231 B12R1.288 CC=Cc1ccc(c(c1)Br)CO 271570a_100016259895_100010240206 [0,2,0,0,0,0|2,0,0]=4 6232 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [0,2,0,0,0,0|2,0,0]=4 6233 B12R1.288 CC=Cc1ccc(c(c1)C)C=O 271570a_100016259895_100000687586 [0,2,0,0,0,0|0,0,1]=3 6234 B12R1.288 CC=Cc1ccc(c(c1)C)CF 271570a_100016259895_200010711859 [0,2,0,0,0,0|2,0,0]=4 6235 B12R1.288 CC=Cc1ccc(c(c1)C)CN 271570a_100016259895_100000753881 [0,2,0,0,0,0|2,0,0]=4 6236 B12R1.288 CC=Cc1ccc(c(c1)C)CO 271570a_100016259895_100000748258 [0,2,0,0,0,0|2,0,0]=4 6237 B12R1.288 CC=Cc1ccc(c(c1)C)NC 271570a_100016259895_100000221803 [0,2,0,0,0,0|2,0,0]=4 6238 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [0,2,0,0,0,0|2,0,0]=4 6239 B12R1.288 CC=Cc1ccc(c(c1)Cl)C=O 271570a_100016259895_100000727542 [0,2,0,0,0,0|0,0,1]=3 6240 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [0,2,0,0,0,0|2,0,0]=4 6241 B12R1.288 CC=Cc1ccc(c(c1)Cl)SC 271570a_100016259895_206447510565 [0,2,0,0,0,0|2,0,0]=4 6242 B12R1.288 CC=Cc1ccc(c(c1)F)C=O 271570a_100016259895_100000211676 [0,2,0,0,0,0|0,0,1]=3 6243 B12R1.288 CC=Cc1ccc(c(c1)F)CC 271570a_100016259895_200010071577 [0,2,0,0,0,0|1,0,0]=3 6244 B12R1.288 CC=Cc1ccc(c(c1)F)CN 271570a_100016259895_100000754580 [0,2,0,0,0,0|2,0,0]=4 6245 B12R1.288 CC=Cc1ccc(c(c1)F)CO 271570a_100016259895_100011191541 [0,2,0,0,0,0|2,0,0]=4 6246 B12R1.288 CC=Cc1ccc(c(c1)F)NC 271570a_100016259895_100000743884 [0,2,0,0,0,0|2,0,0]=4 6247 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [0,2,0,0,0,0|2,0,0]=4 6248 B12R1.288 CC=Cc1ccc(c(c1)F)SC 271570a_100016259895_100010161220 [0,2,0,0,0,0|2,0,0]=4 6249 B12R1.288 CC=Cc1ccc(c(c1)N)C=O 271570a_100016259895_100009814810 [0,2,0,0,0,0|0,0,1]=3 6250 B12R1.288 CC=Cc1ccc(c(c1)N)CC 271570a_100016259895_100012354963 [0,2,0,0,0,0|1,0,0]=3 6251 B12R1.288 CC=Cc1ccc(c(c1)N)CO 271570a_100016259895_100000718831 [0,2,0,0,0,0|2,0,0]=4 6252 B12R1.288 CC=Cc1ccc(c(c1)N)NC 271570a_100016259895_100000741790 [0,2,0,0,0,0|2,0,0]=4 6253 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [0,2,0,0,0,0|2,0,0]=4 6254 B12R1.288 CC=Cc1ccc(c(c1)O)C=O 271570a_100016259895_100011277552 [0,2,0,0,0,0|0,0,1]=3 6255 B12R1.288 CC=Cc1ccc(c(c1)O)CO 271570a_100016259895_100000071718 [0,2,0,0,0,0|2,0,0]=4 6256 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [0,2,0,0,0,0|2,0,0]=4 6257 B12R1.288 CC=Cc1ccc(c(n1)C)C=O 271570a_100016259895_100000050599 [0,2,0,0,0,0|1,0,1]=4 6258 B12R1.288 CC=Cc1ccc(c(n1)F)C=O 271570a_100016259895_100010064369 [0,2,0,0,0,0|1,0,1]=4 6259 B12R1.288 CC=Cc1cnc(c(c1)C)C=O 271570a_100016259895_100010185443 [0,2,0,0,0,0|1,0,1]=4 6260 B12R1.288 CC=Cc1cnc(c(c1)F)C=O 271570a_100016259895_100010180630 [0,2,0,0,0,0|1,0,1]=4 6261 B12R1.288 CCCc1ccc(c(c1)F)SC 62a_200000210301_200010686677 [0,2,0,0,0,0|2,0,0]=4 6262 B12R1.288 CCCc1ccc(c(c1)F)SC 62a_200010686677_200000210301 [0,2,0,0,0,0|2,0,0]=4 6263 B12R1.288 CCCc1ccc(c(c1)F)S[13CH3] 62a_200010686677_200025704644 [0,2,0,0,0,0|2,0,0]=4 6264 B12R1.288 CCCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200010686677 [0,2,0,0,0,0|2,0,0]=4 6265 B12R1.288 CCNc1ccc(c(c1)Br)C#N 27a_100015525214_100012349582 [0,2,0,0,0,0|1,0,1]=4 6266 B12R1.288 CCNc1ccc(c(c1)Br)C#N 34a_100000689153_100000210202 [0,2,0,0,0,0|1,0,1]=4 6267 B12R1.288 CCNc1ccc(c(c1)Br)C#N 7a_100000689153_100000210202 [0,2,0,0,0,0|1,0,1]=4 6268 B12R1.288 CCNc1ccc(c(c1)Br)OC 34a_100000187427_100000210202 [0,2,0,0,0,0|2,0,0]=4 6269 B12R1.288 CCNc1ccc(c(c1)C)C#N 34a_100011999795_100000210202 [0,2,0,0,0,0|1,0,1]=4 6270 B12R1.288 CCNc1ccc(c(c1)C)C#N 7a_100011999795_100000210202 [0,2,0,0,0,0|1,0,1]=4 6271 B12R1.288 CCNc1ccc(c(c1)C)CO 34a_100000102464_100000210202 [0,2,0,0,0,0|0,0,2]=4 6272 B12R1.288 CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210202 [0,2,0,0,0,0|2,0,0]=4 6273 B12R1.288 CCNc1ccc(c(c1)C)OC 34a_100000743268_100000210202 [0,2,0,0,0,0|2,0,0]=4 6274 B12R1.288 CCNc1ccc(c(c1)C)OC 7a_100000743268_100000210202 [0,2,0,0,0,0|2,0,0]=4 6275 B12R1.288 CCNc1ccc(c(c1)C)SC 62a_100015183089_200000210301 [0,2,0,0,0,0|2,0,0]=4 6276 B12R1.288 CCNc1ccc(c(c1)C)SC 62a_200000210301_100015183089 [0,2,0,0,0,0|2,0,0]=4 6277 B12R1.288 CCNc1ccc(c(c1)C)S[13CH3] 62a_100015183089_200025704644 [0,2,0,0,0,0|2,0,0]=4 6278 B12R1.288 CCNc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100015183089 [0,2,0,0,0,0|2,0,0]=4 6279 B12R1.288 CCNc1ccc(c(c1)Cl)C#N 34a_100000211542_100000210202 [0,2,0,0,0,0|1,0,1]=4 6280 B12R1.288 CCNc1ccc(c(c1)Cl)C#N 7a_100000211542_100000210202 [0,2,0,0,0,0|1,0,1]=4 6281 B12R1.288 CCNc1ccc(c(c1)Cl)CC 2230a_100000766362_100000210202 [0,2,0,0,0,0|1,0,1]=4 6282 B12R1.288 CCNc1ccc(c(c1)Cl)CC 34a_100000766362_100000210202 [0,2,0,0,0,0|1,0,1]=4 6283 B12R1.288 CCNc1ccc(c(c1)Cl)CC 7a_100000766362_100000210202 [0,2,0,0,0,0|1,0,1]=4 6284 B12R1.288 CCNc1ccc(c(c1)Cl)CO 34a_100000689119_100000210202 [0,2,0,0,0,0|0,0,2]=4 6285 B12R1.288 CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210202 [0,2,0,0,0,0|2,0,0]=4 6286 B12R1.288 CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100000210202 [0,2,0,0,0,0|2,0,0]=4 6287 B12R1.288 CCNc1ccc(c(c1)F)C#N 27a_100015525214_100000037869 [0,2,0,0,0,0|1,0,1]=4 6288 B12R1.288 CCNc1ccc(c(c1)F)C#N 34a_100000765089_100000210202 [0,2,0,0,0,0|1,0,1]=4 6289 B12R1.288 CCNc1ccc(c(c1)F)C#N 7a_100000765089_100000210202 [0,2,0,0,0,0|1,0,1]=4 6290 B12R1.288 CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210202 [0,2,0,0,0,0|2,0,0]=4 6291 B12R1.288 CCNc1ccc(c(c1)F)OC 34a_100000740183_100000210202 [0,2,0,0,0,0|2,0,0]=4 6292 B12R1.288 CCNc1ccc(c(c1)F)SC 2230a_100000762756_100000210202 [0,2,0,0,0,0|2,0,0]=4 6293 B12R1.288 CCNc1ccc(c(c1)F)SC 34a_100000762756_100000210202 [0,2,0,0,0,0|2,0,0]=4 6294 B12R1.288 CCNc1ccc(c(c1)I)OC 34a_100011356947_100000210202 [0,2,0,0,0,0|2,0,0]=4 6295 B12R1.288 CCNc1ccc(c(c1)O)C#N 34a_100000094571_100000210202 [0,2,0,0,0,0|1,0,1]=4 6296 B12R1.288 CCNc1ccc(c(c1)O)C#N 7a_100000094571_100000210202 [0,2,0,0,0,0|1,0,1]=4 6297 B12R1.288 CCNc1ccc(c(c1)O)OC 34a_100000211920_100000210202 [0,2,0,0,0,0|2,0,0]=4 6298 B12R1.288 CCNc1ccc(c(n1)F)C=O 27a_100015525214_100010064369 [0,2,0,0,0,0|1,0,0]=3 6299 B12R1.288 CCOc1ccc(c(c1)Br)C#N 34a_100012184851_100000210202 [0,2,0,0,0,0|1,0,1]=4 6300 B12R1.288 CCOc1ccc(c(c1)Br)C#N 7a_100012184851_100000210202 [0,2,0,0,0,0|1,0,1]=4 6301 B12R1.288 CCOc1ccc(c(c1)Br)CO 34a_100010146404_100000210202 [0,2,0,0,0,0|0,0,2]=4 6302 B12R1.288 CCOc1ccc(c(c1)Br)CO 7a_100010146404_100000210202 [0,2,0,0,0,0|0,0,2]=4 6303 B12R1.288 CCOc1ccc(c(c1)Br)OC 34a_100010234764_100000210202 [0,2,0,0,0,0|2,0,0]=4 6304 B12R1.288 CCOc1ccc(c(c1)Br)OC 7a_100010234764_100000210202 [0,2,0,0,0,0|2,0,0]=4 6305 B12R1.288 CCOc1ccc(c(c1)C)C#N 34a_100000720286_100000210202 [0,2,0,0,0,0|1,0,1]=4 6306 B12R1.288 CCOc1ccc(c(c1)C)C#N 7a_100000720286_100000210202 [0,2,0,0,0,0|1,0,1]=4 6307 B12R1.288 CCOc1ccc(c(c1)C)NC 2230a_100000742753_200000210301 [0,2,0,0,0,0|2,0,0]=4 6308 B12R1.288 CCOc1ccc(c(c1)C)NC 34a_100000742753_200000210301 [0,2,0,0,0,0|2,0,0]=4 6309 B12R1.288 CCOc1ccc(c(c1)C)NC 34a_100161107805_100000210202 [0,2,0,0,0,0|2,0,0]=4 6310 B12R1.288 CCOc1ccc(c(c1)C)NC 7a_100161107805_100000210202 [0,2,0,0,0,0|2,0,0]=4 6311 B12R1.288 CCOc1ccc(c(c1)C)N[13CH3] 2230a_100000742753_200025704644 [0,2,0,0,0,0|2,0,0]=4 6312 B12R1.288 CCOc1ccc(c(c1)C)N[13CH3] 34a_100000742753_200025704644 [0,2,0,0,0,0|2,0,0]=4 6313 B12R1.288 CCOc1ccc(c(c1)C)OC 34a_100000759738_100000210202 [0,2,0,0,0,0|2,0,0]=4 6314 B12R1.288 CCOc1ccc(c(c1)C)OC 7a_100000759738_100000210202 [0,2,0,0,0,0|2,0,0]=4 6315 B12R1.288 CCOc1ccc(c(c1)C)SC 34a_100000030144_100000210202 [0,2,0,0,0,0|2,0,0]=4 6316 B12R1.288 CCOc1ccc(c(c1)C)SC 62a_200000210301_100012344538 [0,2,0,0,0,0|2,0,0]=4 6317 B12R1.288 CCOc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100012344538 [0,2,0,0,0,0|2,0,0]=4 6318 B12R1.288 CCOc1ccc(c(c1)Cl)C#N 34a_100000716493_100000210202 [0,2,0,0,0,0|1,0,1]=4 6319 B12R1.288 CCOc1ccc(c(c1)Cl)C#N 7a_100000716493_100000210202 [0,2,0,0,0,0|1,0,1]=4 6320 B12R1.288 CCOc1ccc(c(c1)Cl)CC 34a_100009886192_100000210202 [0,2,0,0,0,0|1,0,1]=4 6321 B12R1.288 CCOc1ccc(c(c1)Cl)CC 7a_100009886192_100000210202 [0,2,0,0,0,0|1,0,1]=4 6322 B12R1.288 CCOc1ccc(c(c1)Cl)CN 34a_200161156549_100000210202 [0,2,0,0,0,0|1,0,1]=4 6323 B12R1.288 CCOc1ccc(c(c1)Cl)CO 34a_200000075811_100000210202 [0,2,0,0,0,0|0,0,2]=4 6324 B12R1.288 CCOc1ccc(c(c1)Cl)CO 7a_200000075811_100000210202 [0,2,0,0,0,0|0,0,2]=4 6325 B12R1.288 CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000210202 [0,2,0,0,0,0|2,0,0]=4 6326 B12R1.288 CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000210202 [0,2,0,0,0,0|2,0,0]=4 6327 B12R1.288 CCOc1ccc(c(c1)F)C#N 34a_100000753931_100000210202 [0,2,0,0,0,0|1,0,1]=4 6328 B12R1.288 CCOc1ccc(c(c1)F)C#N 7a_100000753931_100000210202 [0,2,0,0,0,0|1,0,1]=4 6329 B12R1.288 CCOc1ccc(c(c1)F)CO 34a_100000084598_100000210202 [0,2,0,0,0,0|0,0,2]=4 6330 B12R1.288 CCOc1ccc(c(c1)F)CO 7a_100000084598_100000210202 [0,2,0,0,0,0|0,0,2]=4 6331 B12R1.288 CCOc1ccc(c(c1)F)NC 2230a_100015186438_200000210301 [0,2,0,0,0,0|2,0,0]=4 6332 B12R1.288 CCOc1ccc(c(c1)F)NC 34a_100015186438_200000210301 [0,2,0,0,0,0|2,0,0]=4 6333 B12R1.288 CCOc1ccc(c(c1)F)N[13CH3] 2230a_100015186438_200025704644 [0,2,0,0,0,0|2,0,0]=4 6334 B12R1.288 CCOc1ccc(c(c1)F)N[13CH3] 34a_100015186438_200025704644 [0,2,0,0,0,0|2,0,0]=4 6335 B12R1.288 CCOc1ccc(c(c1)F)OC 34a_100000746305_100000210202 [0,2,0,0,0,0|2,0,0]=4 6336 B12R1.288 CCOc1ccc(c(c1)F)OC 7a_100000746305_100000210202 [0,2,0,0,0,0|2,0,0]=4 6337 B12R1.288 CCOc1ccc(c(c1)F)SC 62a_100000692347_200000210301 [0,2,0,0,0,0|2,0,0]=4 6338 B12R1.288 CCOc1ccc(c(c1)F)SC 62a_200000210301_100000692347 [0,2,0,0,0,0|2,0,0]=4 6339 B12R1.288 CCOc1ccc(c(c1)F)S[13CH3] 62a_100000692347_200025704644 [0,2,0,0,0,0|2,0,0]=4 6340 B12R1.288 CCOc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000692347 [0,2,0,0,0,0|2,0,0]=4 6341 B12R1.288 CCOc1ccc(c(c1)I)OC 34a_100010084122_100000210202 [0,2,0,0,0,0|2,0,0]=4 6342 B12R1.288 CCOc1ccc(c(c1)I)OC 7a_100010084122_100000210202 [0,2,0,0,0,0|2,0,0]=4 6343 B12R1.288 CCOc1ccc(c(c1)O)C=O 271570a_203496583355_200012721597 [0,2,0,0,0,0|0,0,0]=2 6344 B12R1.288 CCSc1cc(c(cn1)C=O)C 62a_100000085382_100000210202 [0,2,0,0,0,0|1,0,0]=3 6345 B12R1.288 CCSc1cc(c(cn1)C=O)C 62a_100000210202_100000085382 [0,2,0,0,0,0|1,0,0]=3 6346 B12R1.288 CCSc1cc(c(cn1)C=O)N 62a_100000050503_100000210202 [0,2,0,0,0,0|1,0,0]=3 6347 B12R1.288 CCSc1cc(c(cn1)C=O)N 62a_100000210202_100000050503 [0,2,0,0,0,0|1,0,0]=3 6348 B12R1.288 CCSc1ccc(c(c1)Br)C#N 62a_100000210202_100012349582 [0,2,0,0,0,0|1,0,1]=4 6349 B12R1.288 CCSc1ccc(c(c1)Br)C#N 62a_100012349582_100000210202 [0,2,0,0,0,0|1,0,1]=4 6350 B12R1.288 CCSc1ccc(c(c1)Br)C=O 62a_100000210202_100010185650 [0,2,0,0,0,0|0,0,0]=2 6351 B12R1.288 CCSc1ccc(c(c1)Br)C=O 62a_100010185650_100000210202 [0,2,0,0,0,0|0,0,0]=2 6352 B12R1.288 CCSc1ccc(c(c1)Br)CO 62a_100000210202_100010240206 [0,2,0,0,0,0|0,0,2]=4 6353 B12R1.288 CCSc1ccc(c(c1)Br)CO 62a_100010240206_100000210202 [0,2,0,0,0,0|0,0,2]=4 6354 B12R1.288 CCSc1ccc(c(c1)Br)OC 62a_100000210202_100011249507 [0,2,0,0,0,0|2,0,0]=4 6355 B12R1.288 CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210202 [0,2,0,0,0,0|2,0,0]=4 6356 B12R1.288 CCSc1ccc(c(c1)C)C#N 62a_100000210202_100000687762 [0,2,0,0,0,0|1,0,1]=4 6357 B12R1.288 CCSc1ccc(c(c1)C)C=O 62a_100000210202_100000766358 [0,2,0,0,0,0|0,0,0]=2 6358 B12R1.288 CCSc1ccc(c(c1)C)C=O 62a_100000766358_100000210202 [0,2,0,0,0,0|0,0,0]=2 6359 B12R1.288 CCSc1ccc(c(c1)C)CF 62a_100000210202_200010711859 [0,2,0,0,0,0|1,0,1]=4 6360 B12R1.288 CCSc1ccc(c(c1)C)CF 62a_200010711859_100000210202 [0,2,0,0,0,0|1,0,1]=4 6361 B12R1.288 CCSc1ccc(c(c1)C)CN 62a_100000210202_100000753881 [0,2,0,0,0,0|1,0,1]=4 6362 B12R1.288 CCSc1ccc(c(c1)C)CN 62a_100000753881_100000210202 [0,2,0,0,0,0|1,0,1]=4 6363 B12R1.288 CCSc1ccc(c(c1)C)CO 62a_100000210202_100000748258 [0,2,0,0,0,0|0,0,2]=4 6364 B12R1.288 CCSc1ccc(c(c1)C)CO 62a_100000748258_100000210202 [0,2,0,0,0,0|0,0,2]=4 6365 B12R1.288 CCSc1ccc(c(c1)C)NC 62a_100000210202_100000221803 [0,2,0,0,0,0|2,0,0]=4 6366 B12R1.288 CCSc1ccc(c(c1)C)NC 62a_100000221803_100000210202 [0,2,0,0,0,0|2,0,0]=4 6367 B12R1.288 CCSc1ccc(c(c1)C)NN 62a_100000210202_100000751375 [0,2,0,0,0,0|2,0,0]=4 6368 B12R1.288 CCSc1ccc(c(c1)C)NN 62a_100000751375_100000210202 [0,2,0,0,0,0|2,0,0]=4 6369 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100000210202_100011219705 [0,2,0,0,0,0|2,0,0]=4 6370 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210202 [0,2,0,0,0,0|2,0,0]=4 6371 B12R1.288 CCSc1ccc(c(c1)Cl)C#N 62a_100000210202_100012349662 [0,2,0,0,0,0|1,0,1]=4 6372 B12R1.288 CCSc1ccc(c(c1)Cl)C=O 62a_100000210202_100000727542 [0,2,0,0,0,0|0,0,0]=2 6373 B12R1.288 CCSc1ccc(c(c1)Cl)C=O 62a_100000727542_100000210202 [0,2,0,0,0,0|0,0,0]=2 6374 B12R1.288 CCSc1ccc(c(c1)Cl)OC 62a_100000210202_100012355395 [0,2,0,0,0,0|2,0,0]=4 6375 B12R1.288 CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210202 [0,2,0,0,0,0|2,0,0]=4 6376 B12R1.288 CCSc1ccc(c(c1)Cl)SC 62a_100000210202_206447510565 [0,2,0,0,0,0|2,0,0]=4 6377 B12R1.288 CCSc1ccc(c(c1)Cl)SC 62a_206447510565_100000210202 [0,2,0,0,0,0|2,0,0]=4 6378 B12R1.288 CCSc1ccc(c(c1)F)C#N 62a_100000210202_100000037869 [0,2,0,0,0,0|1,0,1]=4 6379 B12R1.288 CCSc1ccc(c(c1)F)C=O 62a_100000210202_100000211676 [0,2,0,0,0,0|0,0,0]=2 6380 B12R1.288 CCSc1ccc(c(c1)F)C=O 62a_100000211676_100000210202 [0,2,0,0,0,0|0,0,0]=2 6381 B12R1.288 CCSc1ccc(c(c1)F)CC 62a_100000210202_200010071577 [0,2,0,0,0,0|1,0,1]=4 6382 B12R1.288 CCSc1ccc(c(c1)F)CC 62a_200010071577_100000210202 [0,2,0,0,0,0|1,0,1]=4 6383 B12R1.288 CCSc1ccc(c(c1)F)CN 62a_100000210202_100000754580 [0,2,0,0,0,0|1,0,1]=4 6384 B12R1.288 CCSc1ccc(c(c1)F)CN 62a_100000754580_100000210202 [0,2,0,0,0,0|1,0,1]=4 6385 B12R1.288 CCSc1ccc(c(c1)F)CO 62a_100000210202_100011191541 [0,2,0,0,0,0|0,0,2]=4 6386 B12R1.288 CCSc1ccc(c(c1)F)CO 62a_100011191541_100000210202 [0,2,0,0,0,0|0,0,2]=4 6387 B12R1.288 CCSc1ccc(c(c1)F)NC 62a_100000210202_100000743884 [0,2,0,0,0,0|2,0,0]=4 6388 B12R1.288 CCSc1ccc(c(c1)F)NC 62a_100000743884_100000210202 [0,2,0,0,0,0|2,0,0]=4 6389 B12R1.288 CCSc1ccc(c(c1)F)NN 62a_100000210202_100000751572 [0,2,0,0,0,0|2,0,0]=4 6390 B12R1.288 CCSc1ccc(c(c1)F)NN 62a_100000751572_100000210202 [0,2,0,0,0,0|2,0,0]=4 6391 B12R1.288 CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210202 [0,2,0,0,0,0|2,0,0]=4 6392 B12R1.288 CCSc1ccc(c(c1)F)OC 62a_100000210202_100000171752 [0,2,0,0,0,0|2,0,0]=4 6393 B12R1.288 CCSc1ccc(c(c1)F)SC 62a_100000210202_100010161220 [0,2,0,0,0,0|2,0,0]=4 6394 B12R1.288 CCSc1ccc(c(c1)F)SC 62a_100010161220_100000210202 [0,2,0,0,0,0|2,0,0]=4 6395 B12R1.288 CCSc1ccc(c(c1)N)C#N 62a_100000210202_100000699244 [0,2,0,0,0,0|1,0,1]=4 6396 B12R1.288 CCSc1ccc(c(c1)N)C=O 62a_100009814810_100000210202 [0,2,0,0,0,0|0,0,0]=2 6397 B12R1.288 CCSc1ccc(c(c1)N)CC 62a_100000210202_100012354963 [0,2,0,0,0,0|1,0,1]=4 6398 B12R1.288 CCSc1ccc(c(c1)N)CC 62a_100012354963_100000210202 [0,2,0,0,0,0|1,0,1]=4 6399 B12R1.288 CCSc1ccc(c(c1)N)CO 62a_100000210202_100000718831 [0,2,0,0,0,0|0,0,2]=4 6400 B12R1.288 CCSc1ccc(c(c1)N)CO 62a_100000718831_100000210202 [0,2,0,0,0,0|0,0,2]=4 6401 B12R1.288 CCSc1ccc(c(c1)N)NC 62a_100000741790_100000210202 [0,2,0,0,0,0|2,0,0]=4 6402 B12R1.288 CCSc1ccc(c(c1)N)OC 62a_100000210202_100011249504 [0,2,0,0,0,0|2,0,0]=4 6403 B12R1.288 CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210202 [0,2,0,0,0,0|2,0,0]=4 6404 B12R1.288 CCSc1ccc(c(c1)O)C#N 62a_100000210202_100011934713 [0,2,0,0,0,0|1,0,1]=4 6405 B12R1.288 CCSc1ccc(c(c1)O)C=O 62a_100000210202_100011277552 [0,2,0,0,0,0|0,0,0]=2 6406 B12R1.288 CCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210202 [0,2,0,0,0,0|0,0,0]=2 6407 B12R1.288 CCSc1ccc(c(c1)O)CO 62a_100000071718_100000210202 [0,2,0,0,0,0|0,0,2]=4 6408 B12R1.288 CCSc1ccc(c(c1)O)CO 62a_100000210202_100000071718 [0,2,0,0,0,0|0,0,2]=4 6409 B12R1.288 CCSc1ccc(c(c1)O)OC 62a_100000210202_100009816560 [0,2,0,0,0,0|2,0,0]=4 6410 B12R1.288 CCSc1ccc(c(n1)C)C=O 62a_100000050599_100000210202 [0,2,0,0,0,0|1,0,0]=3 6411 B12R1.288 CCSc1ccc(c(n1)C)C=O 62a_100000210202_100000050599 [0,2,0,0,0,0|1,0,0]=3 6412 B12R1.288 CCSc1ccc(c(n1)F)C=O 62a_100000210202_100010064369 [0,2,0,0,0,0|1,0,0]=3 6413 B12R1.288 CCSc1ccc(c(n1)F)C=O 62a_100010064369_100000210202 [0,2,0,0,0,0|1,0,0]=3 6414 B12R1.288 CCSc1cnc(c(c1)C)C=O 62a_100000210202_100010185443 [0,2,0,0,0,0|1,0,0]=3 6415 B12R1.288 CCSc1cnc(c(c1)C)C=O 62a_100010185443_100000210202 [0,2,0,0,0,0|1,0,0]=3 6416 B12R1.288 CCSc1cnc(c(c1)F)C=O 62a_100000210202_100010180630 [0,2,0,0,0,0|1,0,0]=3 6417 B12R1.288 CCSc1cnc(c(c1)F)C=O 62a_100010180630_100000210202 [0,2,0,0,0,0|1,0,0]=3 6418 B12R1.288 CCSc1ncc(c(n1)N)C=O 62a_100000210202_100010726233 [0,2,0,0,0,0|2,0,0]=4 6419 B12R1.288 CCSc1ncc(c(n1)N)C=O 62a_100010726233_100000210202 [0,2,0,0,0,0|2,0,0]=4 6420 B12R1.288 CCc1ccc(cc1Cl)CNC 26a_100102657272_100009886192 [0,2,0,0,0,0|1,0,1]=4 6421 B12R1.288 CCc1ccc(cc1Cl)NCF 34a_100000766362_100015361967 [0,2,0,0,0,0|1,0,1]=4 6422 B12R1.288 CCc1ccc(cc1Cl)NCF 7a_100000766362_100015361967 [0,2,0,0,0,0|1,0,1]=4 6423 B12R1.288 CCc1ccc(cc1Cl)OCF 34a_100009886192_100015361967 [0,2,0,0,0,0|1,0,1]=4 6424 B12R1.288 CCc1ccc(cc1Cl)OCF 7a_100009886192_100015361967 [0,2,0,0,0,0|1,0,1]=4 6425 B12R1.288 CCc1ccc(cc1F)SCF 62a_100015361967_200010071577 [0,2,0,0,0,0|1,0,1]=4 6426 B12R1.288 CCc1ccc(cc1F)SCF 62a_200010071577_100015361967 [0,2,0,0,0,0|1,0,1]=4 6427 B12R1.288 CCc1ccc(cc1N)SCF 62a_100012354963_100015361967 [0,2,0,0,0,0|1,0,1]=4 6428 B12R1.288 CCc1ccc(cc1N)SCF 62a_100015361967_100012354963 [0,2,0,0,0,0|1,0,1]=4 6429 B12R1.288 CNCc1ccc(c(c1)Br)C#N 2230a_106832991635_100012355662 [0,2,0,0,0,0|1,0,1]=4 6430 B12R1.288 CNCc1ccc(c(c1)Br)C#N 26a_100102657272_100012184851 [0,2,0,0,0,0|1,0,1]=4 6431 B12R1.288 CNCc1ccc(c(c1)Br)C#N 270004a_106832991635_100012355660 [0,2,0,0,0,0|1,0,1]=4 6432 B12R1.288 CNCc1ccc(c(c1)Br)C#N 7a_106832991635_100012355662 [0,2,0,0,0,0|1,0,1]=4 6433 B12R1.288 CNCc1ccc(c(c1)Br)CO 26a_100102657272_100010146404 [0,2,0,0,0,0|0,0,2]=4 6434 B12R1.288 CNCc1ccc(c(c1)Br)OC 207a_100102657272_100000173361 [0,2,0,0,0,0|2,0,0]=4 6435 B12R1.288 CNCc1ccc(c(c1)Br)OC 2230a_106832991635_200011397701 [0,2,0,0,0,0|2,0,0]=4 6436 B12R1.288 CNCc1ccc(c(c1)Br)OC 26a_100102657272_100010234764 [0,2,0,0,0,0|2,0,0]=4 6437 B12R1.288 CNCc1ccc(c(c1)Br)OC 270004a_106832991635_100000173361 [0,2,0,0,0,0|2,0,0]=4 6438 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100102657272_200011397701 [0,2,0,0,0,0|2,0,0]=4 6439 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100159240714_200000210301 [0,2,0,0,0,0|2,0,0]=4 6440 B12R1.288 CNCc1ccc(c(c1)Br)OC 7a_106832991635_200011397701 [0,2,0,0,0,0|2,0,0]=4 6441 B12R1.288 CNCc1ccc(c(c1)C)C#N 207a_100102657272_100000720088 [0,2,0,0,0,0|1,0,1]=4 6442 B12R1.288 CNCc1ccc(c(c1)C)C#N 270004a_106832991635_100000720088 [0,2,0,0,0,0|1,0,1]=4 6443 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [0,2,0,0,0,0|2,0,0]=4 6444 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [0,2,0,0,0,0|2,0,0]=4 6445 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [0,2,0,0,0,0|2,0,0]=4 6446 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [0,2,0,0,0,0|2,0,0]=4 6447 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [0,2,0,0,0,0|2,0,0]=4 6448 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [0,2,0,0,0,0|2,0,0]=4 6449 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [0,2,0,0,0,0|2,0,0]=4 6450 B12R1.288 CNCc1ccc(c(c1)Cl)C#N 2230a_106832991635_100010147163 [0,2,0,0,0,0|1,0,1]=4 6451 B12R1.288 CNCc1ccc(c(c1)Cl)C#N 26a_100102657272_100000716493 [0,2,0,0,0,0|1,0,1]=4 6452 B12R1.288 CNCc1ccc(c(c1)Cl)C#N 7a_106832991635_100010147163 [0,2,0,0,0,0|1,0,1]=4 6453 B12R1.288 CNCc1ccc(c(c1)Cl)CO 26a_100102657272_200000075811 [0,2,0,0,0,0|0,0,2]=4 6454 B12R1.288 CNCc1ccc(c(c1)Cl)OC 207a_100102657272_100000186747 [0,2,0,0,0,0|2,0,0]=4 6455 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_100000008799_200000210301 [0,2,0,0,0,0|2,0,0]=4 6456 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_106832991635_100000693707 [0,2,0,0,0,0|2,0,0]=4 6457 B12R1.288 CNCc1ccc(c(c1)Cl)OC 26a_100102657272_200009861682 [0,2,0,0,0,0|2,0,0]=4 6458 B12R1.288 CNCc1ccc(c(c1)Cl)OC 270004a_106832991635_100000186747 [0,2,0,0,0,0|2,0,0]=4 6459 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100000008799_200000210301 [0,2,0,0,0,0|2,0,0]=4 6460 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100102657272_100000693707 [0,2,0,0,0,0|2,0,0]=4 6461 B12R1.288 CNCc1ccc(c(c1)Cl)OC 7a_106832991635_100000693707 [0,2,0,0,0,0|2,0,0]=4 6462 B12R1.288 CNCc1ccc(c(c1)F)C#N 2230a_100015204769_200000210301 [0,2,0,0,0,0|1,0,1]=4 6463 B12R1.288 CNCc1ccc(c(c1)F)C#N 2230a_106832991635_100011217145 [0,2,0,0,0,0|1,0,1]=4 6464 B12R1.288 CNCc1ccc(c(c1)F)C#N 34a_100015204769_200000210301 [0,2,0,0,0,0|1,0,1]=4 6465 B12R1.288 CNCc1ccc(c(c1)F)C#N 34a_100102657272_100011217145 [0,2,0,0,0,0|1,0,1]=4 6466 B12R1.288 CNCc1ccc(c(c1)F)C#N 7a_106832991635_100011217145 [0,2,0,0,0,0|1,0,1]=4 6467 B12R1.288 CNCc1ccc(c(c1)F)C=O 2230a_106832991635_100010142638 [0,2,0,0,0,0|0,0,0]=2 6468 B12R1.288 CNCc1ccc(c(c1)F)C=O 34a_100102657272_100010142638 [0,2,0,0,0,0|0,0,0]=2 6469 B12R1.288 CNCc1ccc(c(c1)F)C=O 7a_106832991635_100010142638 [0,2,0,0,0,0|0,0,0]=2 6470 B12R1.288 CNCc1ccc(c(c1)F)OC 207a_100102657272_100000204617 [0,2,0,0,0,0|2,0,0]=4 6471 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_100000737316_200000210301 [0,2,0,0,0,0|2,0,0]=4 6472 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_106832991635_100000189595 [0,2,0,0,0,0|2,0,0]=4 6473 B12R1.288 CNCc1ccc(c(c1)F)OC 270004a_106832991635_100000204617 [0,2,0,0,0,0|2,0,0]=4 6474 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100000737316_200000210301 [0,2,0,0,0,0|2,0,0]=4 6475 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100102657272_100000189595 [0,2,0,0,0,0|2,0,0]=4 6476 B12R1.288 CNCc1ccc(c(c1)F)OC 7a_106832991635_100000189595 [0,2,0,0,0,0|2,0,0]=4 6477 B12R1.288 CNCc1ccc(c(c1)I)OC 207a_100102657272_100009827998 [0,2,0,0,0,0|2,0,0]=4 6478 B12R1.288 CNCc1ccc(c(c1)I)OC 270004a_106832991635_100009827998 [0,2,0,0,0,0|2,0,0]=4 6479 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [0,2,0,0,0,0|2,0,0]=4 6480 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100000246451_200000210301 [0,2,0,0,0,0|2,0,0]=4 6481 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100138415774_200011397701 [0,2,0,0,0,0|2,0,0]=4 6482 B12R1.288 COCc1ccc(c(c1)Br)OC 7a_100000246451_200000210301 [0,2,0,0,0,0|2,0,0]=4 6483 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [0,2,0,0,0,0|2,0,0]=4 6484 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [0,2,0,0,0,0|2,0,0]=4 6485 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [0,2,0,0,0,0|2,0,0]=4 6486 B12R1.288 COCc1ccc(c(c1)Cl)C#N 34a_100009876504_200000210301 [0,2,0,0,0,0|1,0,1]=4 6487 B12R1.288 COCc1ccc(c(c1)Cl)C#N 7a_100009876504_200000210301 [0,2,0,0,0,0|1,0,1]=4 6488 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100000694469_200000210301 [0,2,0,0,0,0|2,0,0]=4 6489 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100138415774_100000693707 [0,2,0,0,0,0|2,0,0]=4 6490 B12R1.288 COCc1ccc(c(c1)Cl)OC 7a_100000694469_200000210301 [0,2,0,0,0,0|2,0,0]=4 6491 B12R1.288 COCc1ccc(c(c1)F)C#N 34a_100000068502_200000210301 [0,2,0,0,0,0|1,0,1]=4 6492 B12R1.288 COCc1ccc(c(c1)F)C#N 34a_100138415774_100011217145 [0,2,0,0,0,0|1,0,1]=4 6493 B12R1.288 COCc1ccc(c(c1)F)C#N 7a_100000068502_200000210301 [0,2,0,0,0,0|1,0,1]=4 6494 B12R1.288 COCc1ccc(c(c1)F)C=O 34a_100138415774_100010142638 [0,2,0,0,0,0|0,0,0]=2 6495 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100000246395_200000210301 [0,2,0,0,0,0|2,0,0]=4 6496 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100138415774_100000189595 [0,2,0,0,0,0|2,0,0]=4 6497 B12R1.288 COCc1ccc(c(c1)F)OC 7a_100000246395_200000210301 [0,2,0,0,0,0|2,0,0]=4 6498 B12R1.288 COCc1ccc(c(c1)F)SC 62a_100010177442_200000210301 [0,2,0,0,0,0|2,0,0]=4 6499 B12R1.288 COCc1ccc(c(c1)F)SC 62a_200000210301_100010177442 [0,2,0,0,0,0|2,0,0]=4 6500 B12R1.288 COCc1ccc(c(c1)F)S[13CH3] 62a_100010177442_200025704644 [0,2,0,0,0,0|2,0,0]=4 6501 B12R1.288 COCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100010177442 [0,2,0,0,0,0|2,0,0]=4 6502 B12R1.288 COCc1ccc(c(c1)I)OC 34a_200000013966_200000210301 [0,2,0,0,0,0|2,0,0]=4 6503 B12R1.288 COCc1ccc(c(c1)I)OC 7a_200000013966_200000210301 [0,2,0,0,0,0|2,0,0]=4 6504 B12R1.288 COCc1ccc(c(c1)N)OC 34a_100011269841_200000210301 [0,2,0,0,0,0|2,0,0]=4 6505 B12R1.288 COCc1ccc(c(c1)N)SC 62a_200000210301_200013033220 [0,2,0,0,0,0|2,0,0]=4 6506 B12R1.288 COCc1ccc(c(c1)N)SC 62a_200013033220_200000210301 [0,2,0,0,0,0|2,0,0]=4 6507 B12R1.288 COCc1ccc(c(c1)N)S[13CH3] 62a_200013033220_200025704644 [0,2,0,0,0,0|2,0,0]=4 6508 B12R1.288 COCc1ccc(c(c1)N)S[13CH3] 62a_200025704644_200013033220 [0,2,0,0,0,0|2,0,0]=4 6509 B12R1.288 COc1ccc(cc1Br)CN[13CH3] 34a_100159240714_200025704644 [0,2,0,0,0,0|2,0,0]=4 6510 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 34a_100000246451_200025704644 [0,2,0,0,0,0|2,0,0]=4 6511 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 7a_100000246451_200025704644 [0,2,0,0,0,0|2,0,0]=4 6512 B12R1.288 COc1ccc(cc1Br)CSC 62a_200000210301_200011397701 [0,2,0,0,0,0|2,0,0]=4 6513 B12R1.288 COc1ccc(cc1Br)CSC 62a_200011397701_200000210301 [0,2,0,0,0,0|2,0,0]=4 6514 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200011397701_200025704644 [0,2,0,0,0,0|2,0,0]=4 6515 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200025704644_200011397701 [0,2,0,0,0,0|2,0,0]=4 6516 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [0,2,0,0,0,0|2,0,0]=4 6517 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [0,2,0,0,0,0|2,0,0]=4 6518 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [0,2,0,0,0,0|2,0,0]=4 6519 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [0,2,0,0,0,0|2,0,0]=4 6520 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [0,2,0,0,0,0|2,0,0]=4 6521 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [0,2,0,0,0,0|2,0,0]=4 6522 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [0,2,0,0,0,0|2,0,0]=4 6523 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [0,2,0,0,0,0|2,0,0]=4 6524 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 2230a_100000008799_200025704644 [0,2,0,0,0,0|2,0,0]=4 6525 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 34a_100000008799_200025704644 [0,2,0,0,0,0|2,0,0]=4 6526 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 34a_100000694469_200025704644 [0,2,0,0,0,0|2,0,0]=4 6527 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 7a_100000694469_200025704644 [0,2,0,0,0,0|2,0,0]=4 6528 B12R1.288 COc1ccc(cc1Cl)CSC 62a_100000693707_200000210301 [0,2,0,0,0,0|2,0,0]=4 6529 B12R1.288 COc1ccc(cc1Cl)CSC 62a_200000210301_100000693707 [0,2,0,0,0,0|2,0,0]=4 6530 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_100000693707_200025704644 [0,2,0,0,0,0|2,0,0]=4 6531 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100000693707 [0,2,0,0,0,0|2,0,0]=4 6532 B12R1.288 COc1ccc(cc1F)CN[13CH3] 2230a_100000737316_200025704644 [0,2,0,0,0,0|2,0,0]=4 6533 B12R1.288 COc1ccc(cc1F)CN[13CH3] 34a_100000737316_200025704644 [0,2,0,0,0,0|2,0,0]=4 6534 B12R1.288 COc1ccc(cc1F)CO[13CH3] 34a_100000246395_200025704644 [0,2,0,0,0,0|2,0,0]=4 6535 B12R1.288 COc1ccc(cc1F)CO[13CH3] 7a_100000246395_200025704644 [0,2,0,0,0,0|2,0,0]=4 6536 B12R1.288 COc1ccc(cc1F)CSC 62a_100000189595_200000210301 [0,2,0,0,0,0|2,0,0]=4 6537 B12R1.288 COc1ccc(cc1F)CSC 62a_200000210301_100000189595 [0,2,0,0,0,0|2,0,0]=4 6538 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_100000189595_200025704644 [0,2,0,0,0,0|2,0,0]=4 6539 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_200025704644_100000189595 [0,2,0,0,0,0|2,0,0]=4 6540 B12R1.288 COc1ccc(cc1I)CO[13CH3] 34a_200000013966_200025704644 [0,2,0,0,0,0|2,0,0]=4 6541 B12R1.288 COc1ccc(cc1I)CO[13CH3] 7a_200000013966_200025704644 [0,2,0,0,0,0|2,0,0]=4 6542 B12R1.288 COc1ccc(cc1N)CO[13CH3] 34a_100011269841_200025704644 [0,2,0,0,0,0|2,0,0]=4 6543 B12R1.288 COc1ccc(cc1O)CCN 271570a_203496583355_103549771065 [0,2,0,0,0,0|2,0,0]=4 6544 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [0,2,0,0,0,0|2,0,0]=4 6545 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [0,2,0,0,0,0|2,0,0]=4 6546 B12R1.288 CSCc1ccc(c(c1)Br)C#N 62a_100012355662_200000210301 [0,2,0,0,0,0|1,0,1]=4 6547 B12R1.288 CSCc1ccc(c(c1)Br)C#N 62a_200000210301_100012355662 [0,2,0,0,0,0|1,0,1]=4 6548 B12R1.288 CSCc1ccc(c(c1)Cl)C#N 62a_200000210301_100010147163 [0,2,0,0,0,0|1,0,1]=4 6549 B12R1.288 CSCc1ccc(c(c1)F)C#N 62a_200000210301_100011217145 [0,2,0,0,0,0|1,0,1]=4 6550 B12R1.288 CSCc1ccc(c(c1)F)C=O 62a_100010142638_200000210301 [0,2,0,0,0,0|0,0,0]=2 6551 B12R1.288 CSCc1ccc(c(c1)F)C=O 62a_200000210301_100010142638 [0,2,0,0,0,0|0,0,0]=2 6552 B12R1.288 CSc1ccc(cc1F)CCO 62a_100012921202_200000210301 [0,2,0,0,0,0|2,0,0]=4 6553 B12R1.288 CSc1ccc(cc1F)CCO 62a_200000210301_100012921202 [0,2,0,0,0,0|2,0,0]=4 6554 B12R1.288 Cc1cc(ccc1C=O)SCF 62a_100000766358_100015361967 [0,2,0,0,0,0|1,0,0]=3 6555 B12R1.288 Cc1cc(ccc1C=O)SCF 62a_100015361967_100000766358 [0,2,0,0,0,0|1,0,0]=3 6556 B12R1.288 Cc1cc(cnc1C=O)SCF 62a_100010185443_100015361967 [0,2,0,0,0,0|2,0,0]=4 6557 B12R1.288 Cc1cc(cnc1C=O)SCF 62a_100015361967_100010185443 [0,2,0,0,0,0|2,0,0]=4 6558 B12R1.288 Cc1cc(ncc1C=O)SCF 62a_100000085382_100015361967 [0,2,0,0,0,0|2,0,0]=4 6559 B12R1.288 Cc1cc(ncc1C=O)SCF 62a_100015361967_100000085382 [0,2,0,0,0,0|2,0,0]=4 6560 B12R1.288 Cc1nc(ccc1C=O)SCF 62a_100000050599_100015361967 [0,2,0,0,0,0|2,0,0]=4 6561 B12R1.288 Cc1nc(ccc1C=O)SCF 62a_100015361967_100000050599 [0,2,0,0,0,0|2,0,0]=4 6562 B12R1.288 Nc1cc(ccc1C=O)SCF 62a_100009814810_100015361967 [0,2,0,0,0,0|1,0,0]=3 6563 B12R1.288 Nc1cc(ncc1C=O)SCF 62a_100000050503_100015361967 [0,2,0,0,0,0|2,0,0]=4 6564 B12R1.288 Nc1cc(ncc1C=O)SCF 62a_100015361967_100000050503 [0,2,0,0,0,0|2,0,0]=4 6565 B12R1.288 O=Cc1ccc(cc1Br)SCF 62a_100010185650_100015361967 [0,2,0,0,0,0|1,0,0]=3 6566 B12R1.288 O=Cc1ccc(cc1Br)SCF 62a_100015361967_100010185650 [0,2,0,0,0,0|1,0,0]=3 6567 B12R1.288 O=Cc1ccc(cc1Cl)SCF 62a_100000727542_100015361967 [0,2,0,0,0,0|1,0,0]=3 6568 B12R1.288 O=Cc1ccc(cc1Cl)SCF 62a_100015361967_100000727542 [0,2,0,0,0,0|1,0,0]=3 6569 B12R1.288 O=Cc1ccc(cc1F)SCF 62a_100000211676_100015361967 [0,2,0,0,0,0|1,0,0]=3 6570 B12R1.288 O=Cc1ccc(cc1F)SCF 62a_100015361967_100000211676 [0,2,0,0,0,0|1,0,0]=3 6571 B12R1.288 O=Cc1ccc(cc1O)SCF 62a_100011277552_100015361967 [0,2,0,0,0,0|1,0,0]=3 6572 B12R1.288 O=Cc1ccc(cc1O)SCF 62a_100015361967_100011277552 [0,2,0,0,0,0|1,0,0]=3 6573 B12R1.288 O=Cc1ccc(nc1F)SCF 62a_100010064369_100015361967 [0,2,0,0,0,0|2,0,0]=4 6574 B12R1.288 O=Cc1ccc(nc1F)SCF 62a_100015361967_100010064369 [0,2,0,0,0,0|2,0,0]=4 6575 B12R1.288 O=Cc1ncc(cc1F)SCF 62a_100010180630_100015361967 [0,2,0,0,0,0|2,0,0]=4 6576 B12R1.288 O=Cc1ncc(cc1F)SCF 62a_100015361967_100010180630 [0,2,0,0,0,0|2,0,0]=4 6577 B12R1.288 [13CH3]NCc1ccc(c(c1)F)C#N 2230a_100015204769_200025704644 [0,2,0,0,0,0|1,0,1]=4 6578 B12R1.288 [13CH3]NCc1ccc(c(c1)F)C#N 34a_100015204769_200025704644 [0,2,0,0,0,0|1,0,1]=4 6579 B12R1.288 [13CH3]OCc1ccc(c(c1)Cl)C#N 34a_100009876504_200025704644 [0,2,0,0,0,0|1,0,1]=4 6580 B12R1.288 [13CH3]OCc1ccc(c(c1)Cl)C#N 7a_100009876504_200025704644 [0,2,0,0,0,0|1,0,1]=4 6581 B12R1.288 [13CH3]OCc1ccc(c(c1)F)C#N 34a_100000068502_200025704644 [0,2,0,0,0,0|1,0,1]=4 6582 B12R1.288 [13CH3]OCc1ccc(c(c1)F)C#N 7a_100000068502_200025704644 [0,2,0,0,0,0|1,0,1]=4 6583 B12R1.288 [13CH3]SCc1ccc(c(c1)Br)C#N 62a_100012355662_200025704644 [0,2,0,0,0,0|1,0,1]=4 6584 B12R1.288 [13CH3]SCc1ccc(c(c1)Br)C#N 62a_200025704644_100012355662 [0,2,0,0,0,0|1,0,1]=4 6585 B12R1.288 [13CH3]SCc1ccc(c(c1)Cl)C#N 62a_200025704644_100010147163 [0,2,0,0,0,0|1,0,1]=4 6586 B12R1.288 [13CH3]SCc1ccc(c(c1)F)C#N 62a_200025704644_100011217145 [0,2,0,0,0,0|1,0,1]=4 6587 B12R1.288 [13CH3]SCc1ccc(c(c1)F)C=O 62a_100010142638_200025704644 [0,2,0,0,0,0|0,0,0]=2 6588 B12R1.288 [13CH3]SCc1ccc(c(c1)F)C=O 62a_200025704644_100010142638 [0,2,0,0,0,0|0,0,0]=2 6589 B12R1.288 [13CH3]Sc1ccc(cc1F)CCO 62a_100012921202_200025704644 [0,2,0,0,0,0|2,0,0]=4 6590 B12R1.288 [13CH3]Sc1ccc(cc1F)CCO 62a_200025704644_100012921202 [0,2,0,0,0,0|2,0,0]=4 6591 B12R1.78 C=Cc1cc(ccc1C#N)C=O 271570a_100011290941_100012355660 [0,2,0,0,0,0|1,0,1]=4 6592 B12R1.78 C=Cc1cc(ccc1C#N)CC 271570a_100011290941_100010295696 [0,2,0,0,0,0|1,0,1]=4 6593 B12R1.78 C=Cc1cc(ccc1C=O)C#N 271570a_100011290941_100012355658 [0,2,0,0,0,0|1,0,1]=4 6594 B12R1.78 C=Cc1cc(ccc1C=O)C=O 271570a_100011290941_100015597013 [0,2,0,0,0,0|1,0,1]=4 6595 B12R1.78 C=Cc1cc(ccc1C=O)OC 271570a_100011290941_100000723261 [0,2,0,0,0,0|1,0,0]=3 6596 B12R1.78 C=Cc1cc(ccc1NC)C=O 271570a_100011290941_200010290468 [0,2,0,0,0,0|1,0,0]=3 6597 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [0,2,0,0,0,0|1,0,0]=3 6598 B12R1.78 C=Cc1cc(ccc1OC)CC 271570a_100011290941_100010062400 [0,2,0,0,0,0|2,0,0]=4 6599 B12R1.78 C=Cc1cc(cnc1C=O)OC 271570a_100011290941_200010135874 [0,2,0,0,0,0|2,0,0]=4 6600 B12R1.78 C=Cc1cc(cnc1OC)C=O 271570a_100011290941_200010064893 [0,2,0,0,0,0|2,0,0]=4 6601 B12R1.78 C=Cc1cc(ncc1OC)C=O 271570a_100011290941_100010893078 [0,2,0,0,0,0|2,0,0]=4 6602 B12R1.78 C=Cc1ccc(c(c1)C#N)C=O 271570a_100011290941_100012001787 [0,2,0,0,0,0|0,0,2]=4 6603 B12R1.78 C=Cc1ccc(c(c1)C#N)NC 271570a_100011290941_100013037436 [0,2,0,0,0,0|2,0,0]=4 6604 B12R1.78 C=Cc1ccc(c(c1)C#N)OC 271570a_100011290941_100000188252 [0,2,0,0,0,0|2,0,0]=4 6605 B12R1.78 C=Cc1ccc(c(c1)C=O)C=O 271570a_100011290941_200010077131 [0,2,0,0,0,0|0,0,2]=4 6606 B12R1.78 C=Cc1ccc(c(c1)C=O)OC 271570a_100011290941_100000170026 [0,2,0,0,0,0|2,0,0]=4 6607 B12R1.78 C=Cc1ccc(c(c1)CC)C=O 271570a_100011290941_100010209654 [0,2,0,0,0,0|0,0,2]=4 6608 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [0,2,0,0,0,0|2,0,0]=4 6609 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [0,2,0,0,0,0|2,0,0]=4 6610 B12R1.78 C=Cc1ccc(c(c1)CO)CC 271570a_100011290941_100010766240 [0,2,0,0,0,0|1,0,0]=3 6611 B12R1.78 C=Cc1ccc(c(c1)CO)CO 271570a_100011290941_100000719600 [0,2,0,0,0,0|2,0,0]=4 6612 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [0,2,0,0,0,0|2,0,0]=4 6613 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [0,2,0,0,0,0|0,0,2]=4 6614 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [0,2,0,0,0,0|1,0,0]=3 6615 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [0,2,0,0,0,0|2,0,0]=4 6616 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [0,2,0,0,0,0|2,0,0]=4 6617 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [0,2,0,0,0,0|2,0,0]=4 6618 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [0,2,0,0,0,0|2,0,0]=4 6619 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [0,2,0,0,0,0|2,0,0]=4 6620 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [0,2,0,0,0,0|2,0,0]=4 6621 B12R1.78 C=Cc1ccc(cc1C#N)C=O 271570a_100011290941_100010128726 [0,2,0,0,0,0|0,0,2]=4 6622 B12R1.78 C=Cc1ccc(cc1C#N)CN 271570a_100011290941_100009846983 [0,2,0,0,0,0|2,0,0]=4 6623 B12R1.78 C=Cc1ccc(cc1C#N)CO 271570a_100011290941_100010145894 [0,2,0,0,0,0|2,0,0]=4 6624 B12R1.78 C=Cc1ccc(cc1C#N)OC 271570a_100011290941_100000748272 [0,2,0,0,0,0|2,0,0]=4 6625 B12R1.78 C=Cc1ccc(cc1C=O)OC 271570a_100011290941_100000691568 [0,2,0,0,0,0|2,0,0]=4 6626 B12R1.78 C=Cc1ccc(cc1CC)OC 271570a_100011290941_100000720562 [0,2,0,0,0,0|2,0,0]=4 6627 B12R1.78 C=Cc1ccc(cc1CN)OC 271570a_100011290941_100000741592 [0,2,0,0,0,0|2,0,0]=4 6628 B12R1.78 C=Cc1ccc(cc1CO)C=O 271570a_100011290941_100015639582 [0,2,0,0,0,0|0,0,2]=4 6629 B12R1.78 C=Cc1ccc(cc1CO)OC 271570a_100011290941_200011273942 [0,2,0,0,0,0|2,0,0]=4 6630 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [0,2,0,0,0,0|0,0,2]=4 6631 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [0,2,0,0,0,0|1,0,0]=3 6632 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [0,2,0,0,0,0|2,0,0]=4 6633 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [0,2,0,0,0,0|2,0,0]=4 6634 B12R1.78 C=Cc1nc(ccc1C=O)OC 271570a_100011290941_100012351648 [0,2,0,0,0,0|2,0,0]=4 6635 B12R1.78 C=Cc1nc(ccc1OC)C=O 271570a_100011290941_100010174741 [0,2,0,0,0,0|2,0,0]=4 6636 B12R1.78 CCc1cc(ccc1C=O)SC 62a_100010209654_200000210301 [0,2,0,0,0,0|1,0,0]=3 6637 B12R1.78 CCc1cc(ccc1C=O)SC 62a_200000210301_100010209654 [0,2,0,0,0,0|1,0,0]=3 6638 B12R1.78 CCc1cc(ccc1C=O)S[13CH3] 62a_100010209654_200025704644 [0,2,0,0,0,0|1,0,0]=3 6639 B12R1.78 CCc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010209654 [0,2,0,0,0,0|1,0,0]=3 6640 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [0,2,0,0,0,0|2,0,0]=4 6641 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [0,2,0,0,0,0|2,0,0]=4 6642 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [0,2,0,0,0,0|2,0,0]=4 6643 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [0,2,0,0,0,0|2,0,0]=4 6644 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [0,2,0,0,0,0|2,0,0]=4 6645 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [0,2,0,0,0,0|2,0,0]=4 6646 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [0,2,0,0,0,0|2,0,0]=4 6647 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [0,2,0,0,0,0|2,0,0]=4 6648 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [0,2,0,0,0,0|2,0,0]=4 6649 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [0,2,0,0,0,0|2,0,0]=4 6650 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200000210301_200010710389 [0,2,0,0,0,0|2,0,0]=4 6651 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200010710389_200000210301 [0,2,0,0,0,0|2,0,0]=4 6652 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200010710389_200025704644 [0,2,0,0,0,0|2,0,0]=4 6653 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_200010710389 [0,2,0,0,0,0|2,0,0]=4 6654 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [0,2,0,0,0,0|2,0,0]=4 6655 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [0,2,0,0,0,0|2,0,0]=4 6656 B12R1.78 CCc1ccc(c(c1)SC)C#N 62a_200000210301_100010295696 [0,2,0,0,0,0|1,0,1]=4 6657 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [0,2,0,0,0,0|2,0,0]=4 6658 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [0,2,0,0,0,0|2,0,0]=4 6659 B12R1.78 CCc1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100010295696 [0,2,0,0,0,0|1,0,1]=4 6660 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [0,2,0,0,0,0|2,0,0]=4 6661 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [0,2,0,0,0,0|2,0,0]=4 6662 B12R1.78 CCc1ccc(cc1CO)SC 62a_100010766240_200000210301 [0,2,0,0,0,0|2,0,0]=4 6663 B12R1.78 CCc1ccc(cc1CO)SC 62a_200000210301_100010766240 [0,2,0,0,0,0|2,0,0]=4 6664 B12R1.78 CCc1ccc(cc1CO)S[13CH3] 62a_100010766240_200025704644 [0,2,0,0,0,0|2,0,0]=4 6665 B12R1.78 CCc1ccc(cc1CO)S[13CH3] 62a_200025704644_100010766240 [0,2,0,0,0,0|2,0,0]=4 6666 B12R1.78 CCc1ccc(cc1OC)SC 62a_200000210301_200010710398 [0,2,0,0,0,0|2,0,0]=4 6667 B12R1.78 CCc1ccc(cc1OC)SC 62a_200010710398_200000210301 [0,2,0,0,0,0|2,0,0]=4 6668 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200010710398_200025704644 [0,2,0,0,0,0|2,0,0]=4 6669 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200025704644_200010710398 [0,2,0,0,0,0|2,0,0]=4 6670 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200000210301_200010290468 [0,2,0,0,0,0|1,0,0]=3 6671 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200010290468_200000210301 [0,2,0,0,0,0|1,0,0]=3 6672 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200010290468_200025704644 [0,2,0,0,0,0|1,0,0]=3 6673 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200025704644_200010290468 [0,2,0,0,0,0|1,0,0]=3 6674 B12R1.78 COc1cc(ccc1C=O)SC 62a_100000697075_200000210301 [0,2,0,0,0,0|1,0,0]=3 6675 B12R1.78 COc1cc(ccc1C=O)SC 62a_200000210301_100010290300 [0,2,0,0,0,0|1,0,0]=3 6676 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_100000697075_200025704644 [0,2,0,0,0,0|1,0,0]=3 6677 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010290300 [0,2,0,0,0,0|1,0,0]=3 6678 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [0,2,0,0,0,0|1,0,0]=3 6679 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [0,2,0,0,0,0|1,0,0]=3 6680 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [0,2,0,0,0,0|1,0,0]=3 6681 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [0,2,0,0,0,0|1,0,0]=3 6682 B12R1.78 COc1cc(cnc1C=O)SC 62a_100010246152_200000210301 [0,2,0,0,0,0|2,0,0]=4 6683 B12R1.78 COc1cc(cnc1C=O)SC 62a_200000210301_100010246152 [0,2,0,0,0,0|2,0,0]=4 6684 B12R1.78 COc1cc(cnc1C=O)S[13CH3] 62a_100010246152_200025704644 [0,2,0,0,0,0|2,0,0]=4 6685 B12R1.78 COc1cc(cnc1C=O)S[13CH3] 62a_200025704644_100010246152 [0,2,0,0,0,0|2,0,0]=4 6686 B12R1.78 COc1cc(ncc1C=O)SC 62a_100009846838_200000210301 [0,2,0,0,0,0|2,0,0]=4 6687 B12R1.78 COc1cc(ncc1C=O)SC 62a_200000210301_100009846838 [0,2,0,0,0,0|2,0,0]=4 6688 B12R1.78 COc1cc(ncc1C=O)S[13CH3] 62a_100009846838_200025704644 [0,2,0,0,0,0|2,0,0]=4 6689 B12R1.78 COc1cc(ncc1C=O)S[13CH3] 62a_200025704644_100009846838 [0,2,0,0,0,0|2,0,0]=4 6690 B12R1.78 COc1ccc(c(c1)OC)N=O 34a_200010658452_200000210301 [0,2,0,0,0,0|2,0,0]=4 6691 B12R1.78 COc1ccc(c(c1)OC)N=O 7a_200010658452_200000210301 [0,2,0,0,0,0|2,0,0]=4 6692 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 34a_200010658452_200025704644 [0,2,0,0,0,0|2,0,0]=4 6693 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 7a_200010658452_200025704644 [0,2,0,0,0,0|2,0,0]=4 6694 B12R1.78 COc1ccc(c(c1)SC)C=O 62a_100000723261_200000210301 [0,2,0,0,0,0|1,0,0]=3 6695 B12R1.78 COc1ccc(c(c1)SC)C=O 62a_200000210301_100000723261 [0,2,0,0,0,0|1,0,0]=3 6696 B12R1.78 COc1ccc(c(c1)S[13CH3])C=O 62a_100000723261_200025704644 [0,2,0,0,0,0|1,0,0]=3 6697 B12R1.78 COc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100000723261 [0,2,0,0,0,0|1,0,0]=3 6698 B12R1.78 COc1ccc(c(n1)SC)C=O 62a_100012351648_200000210301 [0,2,0,0,0,0|2,0,0]=4 6699 B12R1.78 COc1ccc(c(n1)SC)C=O 62a_200000210301_100012351648 [0,2,0,0,0,0|2,0,0]=4 6700 B12R1.78 COc1ccc(c(n1)S[13CH3])C=O 62a_100012351648_200025704644 [0,2,0,0,0,0|2,0,0]=4 6701 B12R1.78 COc1ccc(c(n1)S[13CH3])C=O 62a_200025704644_100012351648 [0,2,0,0,0,0|2,0,0]=4 6702 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [0,2,0,0,0,0|1,0,0]=3 6703 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [0,2,0,0,0,0|1,0,0]=3 6704 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [0,2,0,0,0,0|1,0,0]=3 6705 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [0,2,0,0,0,0|1,0,0]=3 6706 B12R1.78 COc1ccc(nc1SC)C=O 62a_100010174741_200000210301 [0,2,0,0,0,0|2,0,0]=4 6707 B12R1.78 COc1ccc(nc1SC)C=O 62a_200000210301_100010174741 [0,2,0,0,0,0|2,0,0]=4 6708 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_100010174741_200025704644 [0,2,0,0,0,0|2,0,0]=4 6709 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_200025704644_100010174741 [0,2,0,0,0,0|2,0,0]=4 6710 B12R1.78 COc1cnc(c(c1)SC)C=O 62a_200000210301_200010135874 [0,2,0,0,0,0|2,0,0]=4 6711 B12R1.78 COc1cnc(c(c1)SC)C=O 62a_200010135874_200000210301 [0,2,0,0,0,0|2,0,0]=4 6712 B12R1.78 COc1cnc(c(c1)S[13CH3])C=O 62a_200010135874_200025704644 [0,2,0,0,0,0|2,0,0]=4 6713 B12R1.78 COc1cnc(c(c1)S[13CH3])C=O 62a_200025704644_200010135874 [0,2,0,0,0,0|2,0,0]=4 6714 B12R1.78 COc1cnc(cc1SC)C=O 62a_100010893078_200000210301 [0,2,0,0,0,0|2,0,0]=4 6715 B12R1.78 COc1cnc(cc1SC)C=O 62a_200000210301_100010893078 [0,2,0,0,0,0|2,0,0]=4 6716 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_100010893078_200025704644 [0,2,0,0,0,0|2,0,0]=4 6717 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010893078 [0,2,0,0,0,0|2,0,0]=4 6718 B12R1.78 COc1nc(ccc1C=O)SC 62a_100009864722_200000210301 [0,2,0,0,0,0|2,0,0]=4 6719 B12R1.78 COc1nc(ccc1C=O)SC 62a_200000210301_100009864722 [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.78 COc1nc(ccc1C=O)S[13CH3] 62a_100009864722_200025704644 [0,2,0,0,0,0|2,0,0]=4 6721 B12R1.78 COc1nc(ccc1C=O)S[13CH3] 62a_200025704644_100009864722 [0,2,0,0,0,0|2,0,0]=4 6722 B12R1.78 COc1ncc(cc1SC)C=O 62a_200000210301_200010064893 [0,2,0,0,0,0|2,0,0]=4 6723 B12R1.78 COc1ncc(cc1SC)C=O 62a_200010064893_200000210301 [0,2,0,0,0,0|2,0,0]=4 6724 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200010064893_200025704644 [0,2,0,0,0,0|2,0,0]=4 6725 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200025704644_200010064893 [0,2,0,0,0,0|2,0,0]=4 6726 B12R1.78 CSc1cc(ccc1C#N)C=O 62a_200000210301_100012355660 [0,2,0,0,0,0|1,0,1]=4 6727 B12R1.78 CSc1cc(ccc1C=O)C#N 62a_200000210301_100012355658 [0,2,0,0,0,0|1,0,1]=4 6728 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_100015597013_200000210301 [0,2,0,0,0,0|1,0,1]=4 6729 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_200000210301_100015597013 [0,2,0,0,0,0|1,0,1]=4 6730 B12R1.78 CSc1ccc(c(c1)C#N)C=O 62a_200000210301_100012001787 [0,2,0,0,0,0|1,0,0]=3 6731 B12R1.78 CSc1ccc(c(c1)C=O)C=O 62a_200010077131_200000210301 [0,2,0,0,0,0|1,0,0]=3 6732 B12R1.78 CSc1ccc(cc1C#N)C=O 62a_200000210301_100010128726 [0,2,0,0,0,0|1,0,0]=3 6733 B12R1.78 CSc1ccc(cc1CO)C=O 62a_100015639582_200000210301 [0,2,0,0,0,0|1,0,0]=3 6734 B12R1.78 CSc1ccc(cc1CO)C=O 62a_200000210301_100015639582 [0,2,0,0,0,0|1,0,0]=3 6735 B12R1.78 [13CH3]Sc1cc(ccc1C#N)C=O 62a_200025704644_100012355660 [0,2,0,0,0,0|1,0,1]=4 6736 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C#N 62a_200025704644_100012355658 [0,2,0,0,0,0|1,0,1]=4 6737 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_100015597013_200025704644 [0,2,0,0,0,0|1,0,1]=4 6738 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_200025704644_100015597013 [0,2,0,0,0,0|1,0,1]=4 6739 B12R1.78 [13CH3]Sc1ccc(c(c1)C#N)C=O 62a_200025704644_100012001787 [0,2,0,0,0,0|1,0,0]=3 6740 B12R1.78 [13CH3]Sc1ccc(c(c1)C=O)C=O 62a_200010077131_200025704644 [0,2,0,0,0,0|1,0,0]=3 6741 B12R1.78 [13CH3]Sc1ccc(cc1C#N)C=O 62a_200025704644_100010128726 [0,2,0,0,0,0|1,0,0]=3 6742 B12R1.78 [13CH3]Sc1ccc(cc1CO)C=O 62a_100015639582_200025704644 [0,2,0,0,0,0|1,0,0]=3 6743 B12R1.78 [13CH3]Sc1ccc(cc1CO)C=O 62a_200025704644_100015639582 [0,2,0,0,0,0|1,0,0]=3 6744 B12R1.301 C=Cc1c(cc(cc1C)C=O)C 271570a_100011290941_100000102522 [0,2,0,0,0,0|0,0,2]=4 6745 B12R1.301 C=Cc1c(cc(cc1C)CO)C 271570a_100011290941_100012339607 [0,2,0,0,0,0|2,0,0]=4 6746 B12R1.301 C=Cc1c(cc(cc1C)OC)C 271570a_100011290941_100012160682 [0,2,0,0,0,0|2,0,0]=4 6747 B12R1.301 C=Cc1c(cc(cc1F)C=O)F 271570a_100011290941_100000104493 [0,2,0,0,0,0|0,0,2]=4 6748 B12R1.301 C=Cc1c(cc(cc1F)CC)F 271570a_100011290941_200160481119 [0,2,0,0,0,0|1,0,0]=3 6749 B12R1.301 C=Cc1c(cc(cc1F)OC)F 271570a_100011290941_100011218311 [0,2,0,0,0,0|2,0,0]=4 6750 B12R1.301 C=Cc1cc(c(c(c1)Br)OC)C 271570a_100011290941_100010997178 [0,2,0,0,0,0|2,0,0]=4 6751 B12R1.301 C=Cc1cc(c(c(c1)C)C=O)C 271570a_100011290941_100010238521 [0,2,0,0,0,0|0,0,2]=4 6752 B12R1.301 C=Cc1cc(c(c(c1)C)CO)C 271570a_100011290941_100010128451 [0,2,0,0,0,0|2,0,0]=4 6753 B12R1.301 C=Cc1cc(c(c(c1)C)OC)C 271570a_100011290941_100000211903 [0,2,0,0,0,0|2,0,0]=4 6754 B12R1.301 C=Cc1cc(c(c(c1)Cl)C=O)Cl 271570a_100011290941_200011001975 [0,2,0,0,0,0|0,0,2]=4 6755 B12R1.301 C=Cc1cc(c(c(c1)Cl)CO)Cl 271570a_100011290941_200011001976 [0,2,0,0,0,0|2,0,0]=4 6756 B12R1.301 C=Cc1cc(c(c(c1)Cl)OC)Cl 271570a_100011290941_200010110313 [0,2,0,0,0,0|2,0,0]=4 6757 B12R1.301 C=Cc1cc(c(c(c1)F)C=O)F 271570a_100011290941_100000036707 [0,2,0,0,0,0|0,0,2]=4 6758 B12R1.301 C=Cc1cc(c(c(c1)F)C=O)O 271570a_100011290941_100010762571 [0,2,0,0,0,0|0,0,2]=4 6759 B12R1.301 C=Cc1cc(c(c(c1)F)CN)F 271570a_100011290941_100000709252 [0,2,0,0,0,0|2,0,0]=4 6760 B12R1.301 C=Cc1cc(c(c(c1)F)CO)F 271570a_100011290941_100011219983 [0,2,0,0,0,0|2,0,0]=4 6761 B12R1.301 C=Cc1cc(c(c(c1)F)OC)F 271570a_100011290941_100009813559 [0,2,0,0,0,0|2,0,0]=4 6762 B12R1.301 C=Cc1cc(c(c(c1)F)OC)N 271570a_100011290941_200010245146 [0,2,0,0,0,0|2,0,0]=4 6763 B12R1.301 C=Cc1cc(c(c(c1)F)SC)F 271570a_100011290941_200010732561 [0,2,0,0,0,0|2,0,0]=4 6764 B12R1.301 CCc1cc(c(c(c1)Br)NC)Br 34a_200009991046_200000210301 [0,2,0,0,0,0|2,0,0]=4 6765 B12R1.301 CCc1cc(c(c(c1)Br)N[13CH3])Br 34a_200009991046_200025704644 [0,2,0,0,0,0|2,0,0]=4 6766 B12R1.301 CCc1cc(c(c(c1)F)OC)F 34a_200011105053_200000210301 [0,2,0,0,0,0|2,0,0]=4 6767 B12R1.301 CCc1cc(c(c(c1)F)OC)F 7a_200011105053_200000210301 [0,2,0,0,0,0|2,0,0]=4 6768 B12R1.301 CCc1cc(c(c(c1)F)O[13CH3])F 34a_200011105053_200025704644 [0,2,0,0,0,0|2,0,0]=4 6769 B12R1.301 CCc1cc(c(c(c1)F)O[13CH3])F 7a_200011105053_200025704644 [0,2,0,0,0,0|2,0,0]=4 6770 B12R1.301 CCc1cc(c(c(c1)F)SC)F 62a_200000210301_200160481119 [0,2,0,0,0,0|2,0,0]=4 6771 B12R1.301 CCc1cc(c(c(c1)F)SC)F 62a_200160481119_200000210301 [0,2,0,0,0,0|2,0,0]=4 6772 B12R1.301 CCc1cc(c(c(c1)F)S[13CH3])F 62a_200025704644_200160481119 [0,2,0,0,0,0|2,0,0]=4 6773 B12R1.301 CCc1cc(c(c(c1)F)S[13CH3])F 62a_200160481119_200025704644 [0,2,0,0,0,0|2,0,0]=4 6774 B12R1.301 COc1c(cc(cc1C)N=O)C 34a_100000703954_200000210301 [0,2,0,0,0,0|2,0,0]=4 6775 B12R1.301 COc1c(cc(cc1C)N=O)C 7a_100000703954_200000210301 [0,2,0,0,0,0|2,0,0]=4 6776 B12R1.301 COc1cc(c(c(c1)F)C=O)O 271570a_203496583355_200021118581 [0,2,0,0,0,0|1,0,0]=3 6777 B12R1.301 COc1cc(c(c(c1)O)C=O)O 271570a_203496583355_100010762613 [0,2,0,0,0,0|1,0,0]=3 6778 B12R1.301 CSc1c(cc(cc1C)C=O)C 62a_100012353953_200000210301 [0,2,0,0,0,0|1,0,0]=3 6779 B12R1.301 CSc1c(cc(cc1C)C=O)C 62a_200000210301_100012353953 [0,2,0,0,0,0|1,0,0]=3 6780 B12R1.301 CSc1c(cc(cc1F)C=O)F 62a_100010074712_200000210301 [0,2,0,0,0,0|1,0,0]=3 6781 B12R1.301 CSc1c(cc(cc1F)C=O)F 62a_200000210301_100010074712 [0,2,0,0,0,0|1,0,0]=3 6782 B12R1.301 CSc1cc(c(c(c1)C)C=O)C 62a_100010238521_200000210301 [0,2,0,0,0,0|1,0,0]=3 6783 B12R1.301 CSc1cc(c(c(c1)C)C=O)C 62a_200000210301_100010238521 [0,2,0,0,0,0|1,0,0]=3 6784 B12R1.301 CSc1cc(c(c(c1)Cl)C=O)Cl 62a_200000210301_200011001975 [0,2,0,0,0,0|1,0,0]=3 6785 B12R1.301 CSc1cc(c(c(c1)Cl)C=O)Cl 62a_200011001975_200000210301 [0,2,0,0,0,0|1,0,0]=3 6786 B12R1.301 CSc1cc(c(c(c1)F)C=O)F 62a_100000036707_200000210301 [0,2,0,0,0,0|1,0,0]=3 6787 B12R1.301 CSc1cc(c(c(c1)F)C=O)F 62a_200000210301_100000036707 [0,2,0,0,0,0|1,0,0]=3 6788 B12R1.301 CSc1cc(c(c(c1)F)C=O)O 62a_100010762571_200000210301 [0,2,0,0,0,0|1,0,0]=3 6789 B12R1.301 CSc1cc(c(c(c1)F)C=O)O 62a_200000210301_100010762571 [0,2,0,0,0,0|1,0,0]=3 6790 B12R1.301 Cc1cc(cc(c1C=O)C)S[13CH3] 62a_100010238521_200025704644 [0,2,0,0,0,0|1,0,0]=3 6791 B12R1.301 Cc1cc(cc(c1C=O)C)S[13CH3] 62a_200025704644_100010238521 [0,2,0,0,0,0|1,0,0]=3 6792 B12R1.301 Cc1cc(cc(c1O[13CH3])C)N=O 34a_100000703954_200025704644 [0,2,0,0,0,0|2,0,0]=4 6793 B12R1.301 Cc1cc(cc(c1O[13CH3])C)N=O 7a_100000703954_200025704644 [0,2,0,0,0,0|2,0,0]=4 6794 B12R1.301 Cc1cc(cc(c1S[13CH3])C)C=O 62a_100012353953_200025704644 [0,2,0,0,0,0|1,0,0]=3 6795 B12R1.301 Cc1cc(cc(c1S[13CH3])C)C=O 62a_200025704644_100012353953 [0,2,0,0,0,0|1,0,0]=3 6796 B12R1.301 [13CH3]Sc1c(cc(cc1F)C=O)F 62a_100010074712_200025704644 [0,2,0,0,0,0|1,0,0]=3 6797 B12R1.301 [13CH3]Sc1c(cc(cc1F)C=O)F 62a_200025704644_100010074712 [0,2,0,0,0,0|1,0,0]=3 6798 B12R1.301 [13CH3]Sc1cc(c(c(c1)Cl)C=O)Cl 62a_200011001975_200025704644 [0,2,0,0,0,0|1,0,0]=3 6799 B12R1.301 [13CH3]Sc1cc(c(c(c1)Cl)C=O)Cl 62a_200025704644_200011001975 [0,2,0,0,0,0|1,0,0]=3 6800 B12R1.301 [13CH3]Sc1cc(c(c(c1)F)C=O)F 62a_100000036707_200025704644 [0,2,0,0,0,0|1,0,0]=3 6801 B12R1.301 [13CH3]Sc1cc(c(c(c1)F)C=O)F 62a_200025704644_100000036707 [0,2,0,0,0,0|1,0,0]=3 6802 B12R1.301 [13CH3]Sc1cc(c(c(c1)F)C=O)O 62a_100010762571_200025704644 [0,2,0,0,0,0|1,0,0]=3 6803 B12R1.301 [13CH3]Sc1cc(c(c(c1)F)C=O)O 62a_200025704644_100010762571 [0,2,0,0,0,0|1,0,0]=3 6804 B12R1.450 C=Cc1cc(c(cc1C)C=O)C 271570a_100011290941_100012024176 [0,2,0,0,0,0|0,0,2]=4 6805 B12R1.450 C=Cc1cc(c(cc1C)C=O)F 271570a_100011290941_100010186291 [0,2,0,0,0,0|0,0,2]=4 6806 B12R1.450 C=Cc1cc(c(cc1C)C=O)O 271570a_100011290941_200010762526 [0,2,0,0,0,0|0,0,2]=4 6807 B12R1.450 C=Cc1cc(c(cc1C)OC)C 271570a_100011290941_100000698960 [0,2,0,0,0,0|2,0,0]=4 6808 B12R1.450 C=Cc1cc(c(cc1C)OC)F 271570a_100011290941_100010074640 [0,2,0,0,0,0|2,0,0]=4 6809 B12R1.450 C=Cc1cc(c(cc1Cl)OC)N 271570a_100011290941_100011011177 [0,2,0,0,0,0|2,0,0]=4 6810 B12R1.450 C=Cc1cc(c(cc1F)C=O)C 271570a_100011290941_100010186292 [0,2,0,0,0,0|0,0,2]=4 6811 B12R1.450 C=Cc1cc(c(cc1F)C=O)F 271570a_100011290941_100011998483 [0,2,0,0,0,0|0,0,2]=4 6812 B12R1.450 C=Cc1cc(c(cc1F)C=O)O 271570a_100011290941_200010762562 [0,2,0,0,0,0|0,0,2]=4 6813 B12R1.450 C=Cc1cc(c(cc1F)CO)F 271570a_100011290941_100012024398 [0,2,0,0,0,0|2,0,0]=4 6814 B12R1.450 C=Cc1cc(c(cc1F)OC)F 271570a_100011290941_100009813720 [0,2,0,0,0,0|2,0,0]=4 6815 B12R1.450 C=Cc1cc(c(cc1F)OC)N 271570a_100011290941_100012361397 [0,2,0,0,0,0|2,0,0]=4 6816 B12R1.450 C=Cc1cc(c(cc1N)OC)C 271570a_100011290941_100010244135 [0,2,0,0,0,0|2,0,0]=4 6817 B12R1.450 C=Cc1cc(c(cc1N)OC)F 271570a_100011290941_100010208193 [0,2,0,0,0,0|2,0,0]=4 6818 B12R1.450 C=Cc1cc(c(cc1O)C=O)O 271570a_100011290941_100010888506 [0,2,0,0,0,0|0,0,2]=4 6819 B12R1.450 COc1cc(c(cc1O)C=O)F 271570a_203496583355_100010244998 [0,2,0,0,0,0|1,0,0]=3 6820 B12R1.450 COc1cc(c(cc1O)C=O)O 271570a_203496583355_100000183646 [0,2,0,0,0,0|1,0,0]=3 6821 B12R1.450 COc1cc(c(cc1O)C=O)O 271570a_203496583355_100009998278 [0,2,0,0,0,0|1,0,0]=3 6822 B12R1.450 CSc1cc(c(cc1C)C=O)C 62a_100012024176_200000210301 [0,2,0,0,0,0|1,0,0]=3 6823 B12R1.450 CSc1cc(c(cc1C)C=O)C 62a_200000210301_100012024176 [0,2,0,0,0,0|1,0,0]=3 6824 B12R1.450 CSc1cc(c(cc1C)C=O)F 62a_100010186291_200000210301 [0,2,0,0,0,0|1,0,0]=3 6825 B12R1.450 CSc1cc(c(cc1C)C=O)F 62a_200000210301_100010186291 [0,2,0,0,0,0|1,0,0]=3 6826 B12R1.450 CSc1cc(c(cc1C)C=O)O 62a_200000210301_200010762526 [0,2,0,0,0,0|1,0,0]=3 6827 B12R1.450 CSc1cc(c(cc1C)C=O)O 62a_200010762526_200000210301 [0,2,0,0,0,0|1,0,0]=3 6828 B12R1.450 CSc1cc(c(cc1F)C=O)C 62a_100010186292_200000210301 [0,2,0,0,0,0|1,0,0]=3 6829 B12R1.450 CSc1cc(c(cc1F)C=O)C 62a_200000210301_100010186292 [0,2,0,0,0,0|1,0,0]=3 6830 B12R1.450 CSc1cc(c(cc1F)C=O)F 62a_100011998483_200000210301 [0,2,0,0,0,0|1,0,0]=3 6831 B12R1.450 CSc1cc(c(cc1F)C=O)F 62a_200000210301_100011998483 [0,2,0,0,0,0|1,0,0]=3 6832 B12R1.450 CSc1cc(c(cc1F)C=O)O 62a_200000210301_200010762562 [0,2,0,0,0,0|1,0,0]=3 6833 B12R1.450 CSc1cc(c(cc1F)C=O)O 62a_200010762562_200000210301 [0,2,0,0,0,0|1,0,0]=3 6834 B12R1.450 CSc1cc(c(cc1O)C=O)O 62a_200000210301_100010888506 [0,2,0,0,0,0|1,0,0]=3 6835 B12R1.450 Cc1cc(c(cc1C=O)C)S[13CH3] 62a_100012024176_200025704644 [0,2,0,0,0,0|1,0,0]=3 6836 B12R1.450 Cc1cc(c(cc1C=O)C)S[13CH3] 62a_200025704644_100012024176 [0,2,0,0,0,0|1,0,0]=3 6837 B12R1.450 Cc1cc(c(cc1C=O)F)S[13CH3] 62a_100010186292_200025704644 [0,2,0,0,0,0|1,0,0]=3 6838 B12R1.450 Cc1cc(c(cc1C=O)F)S[13CH3] 62a_200025704644_100010186292 [0,2,0,0,0,0|1,0,0]=3 6839 B12R1.450 Cc1cc(c(cc1S[13CH3])F)C=O 62a_100010186291_200025704644 [0,2,0,0,0,0|1,0,0]=3 6840 B12R1.450 Cc1cc(c(cc1S[13CH3])F)C=O 62a_200025704644_100010186291 [0,2,0,0,0,0|1,0,0]=3 6841 B12R1.450 Cc1cc(c(cc1S[13CH3])O)C=O 62a_200010762526_200025704644 [0,2,0,0,0,0|1,0,0]=3 6842 B12R1.450 Cc1cc(c(cc1S[13CH3])O)C=O 62a_200025704644_200010762526 [0,2,0,0,0,0|1,0,0]=3 6843 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)F 62a_100011998483_200025704644 [0,2,0,0,0,0|1,0,0]=3 6844 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)F 62a_200025704644_100011998483 [0,2,0,0,0,0|1,0,0]=3 6845 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)O 62a_200010762562_200025704644 [0,2,0,0,0,0|1,0,0]=3 6846 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)O 62a_200025704644_200010762562 [0,2,0,0,0,0|1,0,0]=3 6847 B12R1.450 [13CH3]Sc1cc(c(cc1O)C=O)O 62a_200025704644_100010888506 [0,2,0,0,0,0|1,0,0]=3 6848 B12R1.653 C=Cc1ccc(c(c1C)C)OC 271570a_100011290941_100000049725 [0,2,0,0,0,0|2,0,0]=4 6849 B12R1.653 C=Cc1ccc(c(c1C)F)C=O 271570a_100011290941_100015546853 [0,2,0,0,0,0|0,0,2]=4 6850 B12R1.653 C=Cc1ccc(c(c1C)F)SC 271570a_100011290941_202125771832 [0,2,0,0,0,0|2,0,0]=4 6851 B12R1.653 C=Cc1ccc(c(c1F)F)C=O 271570a_100011290941_100010209662 [0,2,0,0,0,0|0,0,2]=4 6852 B12R1.653 C=Cc1ccc(c(c1F)F)CN 271570a_100011290941_100020621914 [0,2,0,0,0,0|2,0,0]=4 6853 B12R1.653 C=Cc1ccc(c(c1F)F)CO 271570a_100011290941_100010712623 [0,2,0,0,0,0|2,0,0]=4 6854 B12R1.653 C=Cc1ccc(c(c1F)F)OC 271570a_100011290941_100009816879 [0,2,0,0,0,0|2,0,0]=4 6855 B12R1.653 C=Cc1ccc(c(c1F)O)C=O 271570a_100011290941_100010762540 [0,2,0,0,0,0|0,0,2]=4 6856 B12R1.653 CSc1ccc(c(c1C)F)C=O 62a_100015546853_200000210301 [0,2,0,0,0,0|1,0,0]=3 6857 B12R1.653 CSc1ccc(c(c1C)F)C=O 62a_200000210301_100015546853 [0,2,0,0,0,0|1,0,0]=3 6858 B12R1.653 CSc1ccc(c(c1F)F)C=O 62a_100010209662_200000210301 [0,2,0,0,0,0|1,0,0]=3 6859 B12R1.653 CSc1ccc(c(c1F)F)C=O 62a_200000210301_100010209662 [0,2,0,0,0,0|1,0,0]=3 6860 B12R1.653 CSc1ccc(c(c1F)O)C=O 62a_100010762540_200000210301 [0,2,0,0,0,0|1,0,0]=3 6861 B12R1.653 CSc1ccc(c(c1F)O)C=O 62a_200000210301_100010762540 [0,2,0,0,0,0|1,0,0]=3 6862 B12R1.653 Cc1c(ccc(c1F)C=O)S[13CH3] 62a_100015546853_200025704644 [0,2,0,0,0,0|1,0,0]=3 6863 B12R1.653 Cc1c(ccc(c1F)C=O)S[13CH3] 62a_200025704644_100015546853 [0,2,0,0,0,0|1,0,0]=3 6864 B12R1.653 [13CH3]Sc1ccc(c(c1F)F)C=O 62a_100010209662_200025704644 [0,2,0,0,0,0|1,0,0]=3 6865 B12R1.653 [13CH3]Sc1ccc(c(c1F)F)C=O 62a_200025704644_100010209662 [0,2,0,0,0,0|1,0,0]=3 6866 B12R1.653 [13CH3]Sc1ccc(c(c1F)O)C=O 62a_100010762540_200025704644 [0,2,0,0,0,0|1,0,0]=3 6867 B12R1.653 [13CH3]Sc1ccc(c(c1F)O)C=O 62a_200025704644_100010762540 [0,2,0,0,0,0|1,0,0]=3 6868 B10R1.2 C=Cc1cccc(=O)n1C 271570a_100011290941_100000726605 [0,0,1,1,0,0|1,0,0]=3 6869 B10R1.2 C=Cc1cccc(c1C)Br 271570a_100011290941_100012353703 [0,0,1,1,0,0|1,0,1]=4 6870 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [0,0,1,1,0,0|1,0,1]=4 6871 B10R1.2 C=Cc1cccc(c1C)Cl 271570a_100011290941_100000726075 [0,0,1,1,0,0|1,0,1]=4 6872 B10R1.2 C=Cc1cccc(c1C)F 271570a_100011290941_100011216893 [0,0,1,1,0,0|1,0,1]=4 6873 B10R1.2 C=Cc1cccc(c1C)N 271570a_100011290941_100000761887 [0,0,1,1,0,0|1,0,1]=4 6874 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [0,0,1,1,0,0|0,0,2]=4 6875 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [0,0,1,1,0,0|1,0,1]=4 6876 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [0,0,1,1,0,0|1,0,1]=4 6877 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [0,0,1,1,0,0|1,0,1]=4 6878 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [0,0,1,1,0,0|0,0,2]=4 6879 B10R1.2 C=Cc1cccn(c1=O)C 271570a_100011290941_100000687173 [0,0,1,1,0,0|1,0,0]=3 6880 B10R1.2 CCc1cccc(c1O)C 271570a_203496583355_100000036235 [0,0,1,1,0,0|2,0,0]=4 6881 B10R1.2 CCc1cccc(c1O)O 271570a_203496583355_200010001580 [0,0,1,1,0,0|1,0,1]=4 6882 B10R1.21 CCCC=Cc1ccoc1 271570a_100016258520_100011215275 [0,0,1,1,0,0|0,0,2]=4 6883 B10R1.21 CCCC=Cc1ccsc1 271570a_100016258520_100000738268 [0,0,1,1,0,0|0,1,1]=4 6884 B10R1.21 CCOC=Cc1ccoc1 271570a_100016256518_100011215275 [0,0,1,1,0,0|1,0,1]=4 6885 B10R1.21 CCOC=Cc1ccsc1 271570a_100016256518_100000738268 [0,0,1,1,0,0|1,1,0]=4 6886 B10R2.31 Oc1ccc2c(c1)CC2 271570a_203496583355_100009818592 [1,0,0,1,0,0|0,0,1]=3 6887 B12R2.9 C=Cc1ccc(cc1)C2CC2 271570a_100011290941_100009820665 [0,1,0,1,0,0|1,0,0]=3 6888 B12R2.9 C=Cc1ccc(cn1)C2CC2 271570a_100011290941_200000118129 [0,1,0,1,0,0|2,0,0]=4 6889 B12R2.9 C=Cc1ccc(nc1)C2CC2 271570a_100011290941_100009850895 [0,1,0,1,0,0|2,0,0]=4 6890 B12R2.9 CCc1ccc(cc1)C2CC2 271570a_100011220607_100011215824 [0,1,0,1,0,0|1,0,1]=4 6891 B12R2.9 CNc1ccc(cc1)C2CC2 271570a_100011220607_100000219623 [0,1,0,1,0,0|2,0,0]=4 6892 B12R2.9 CNc1ccc(cc1)C2CC2 34a_100016991203_200000210301 [0,1,0,1,0,0|2,0,0]=4 6893 B12R2.9 COc1ccc(cc1)C2CC2 271570a_100011220607_100000171711 [0,1,0,1,0,0|2,0,0]=4 6894 B12R2.9 COc1ccc(cc1)C2CC2 34a_100011997980_200000210301 [0,1,0,1,0,0|2,0,0]=4 6895 B12R2.9 COc1ccc(cc1)C2CC2 7a_100011997980_200000210301 [0,1,0,1,0,0|2,0,0]=4 6896 B12R2.9 CSc1ccc(cc1)C2CC2 271570a_100011220607_100011263217 [0,1,0,1,0,0|2,0,0]=4 6897 B12R2.9 CSc1ccc(cc1)C2CC2 62a_200000210301_100009820665 [0,1,0,1,0,0|2,0,0]=4 6898 B12R2.9 FCc1ccc(cc1)C2CC2 271570a_100011220607_100010268989 [0,1,0,1,0,0|1,0,1]=4 6899 B12R2.9 N#Cc1ccc(cc1)C2CC2 271570a_100011220607_100000179745 [0,1,0,1,0,0|1,0,1]=4 6900 B12R2.9 NCc1ccc(cc1)C2CC2 271570a_100011220607_100016989417 [0,1,0,1,0,0|1,0,1]=4 6901 B12R2.9 NNc1ccc(cc1)C2CC2 271570a_100011220607_100016988836 [0,1,0,1,0,0|2,0,0]=4 6902 B12R2.9 O=Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186029 [0,1,0,1,0,0|0,0,0]=2 6903 B12R2.9 O=Cc1ccc(cn1)C2CC2 271570a_100011220607_100000754260 [0,1,0,1,0,0|1,0,0]=3 6904 B12R2.9 O=Cc1ccc(nc1)C2CC2 271570a_100011220607_100000766901 [0,1,0,1,0,0|1,0,0]=3 6905 B12R2.9 O=Cc1ccc(nn1)C2CC2 271570a_100011220607_100000044651 [0,1,0,1,0,0|2,0,0]=4 6906 B12R2.9 O=Cc1cnc(cn1)C2CC2 271570a_100011220607_100012001714 [0,1,0,1,0,0|2,0,0]=4 6907 B12R2.9 O=Cc1cnc(nc1)C2CC2 271570a_100011220607_100000070856 [0,1,0,1,0,0|2,0,0]=4 6908 B12R2.9 OCc1ccc(cc1)C2CC2 271570a_100011220607_100000690907 [0,1,0,1,0,0|0,0,2]=4 6909 B12R2.9 [13CH3]Nc1ccc(cc1)C2CC2 34a_100016991203_200025704644 [0,1,0,1,0,0|2,0,0]=4 6910 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 34a_100011997980_200025704644 [0,1,0,1,0,0|2,0,0]=4 6911 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 7a_100011997980_200025704644 [0,1,0,1,0,0|2,0,0]=4 6912 B12R2.9 [13CH3]Sc1ccc(cc1)C2CC2 62a_200025704644_100009820665 [0,1,0,1,0,0|2,0,0]=4 6913 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [0,1,0,1,0,0|1,0,0]=3 6914 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,1,0,1,0,0|0,0,0]=2 6915 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,1,0,1,0,0|0,0,0]=2 6916 B12R2.44 C=Cc1cc2c(cn1)CCN2 271570a_100011290941_100020639910 [0,1,0,1,0,0|2,0,0]=4 6917 B12R2.44 C=Cc1cc2c(cn1)CNC2 271570a_100011290941_100020645637 [0,1,0,1,0,0|2,0,0]=4 6918 B12R2.44 C=Cc1cc2c(cn1)NCC2 271570a_100011290941_100009884275 [0,1,0,1,0,0|2,0,0]=4 6919 B12R2.44 C=Cc1cc2c(cn1)OCC2 271570a_100011290941_102495363667 [0,1,0,1,0,0|2,0,0]=4 6920 B12R2.44 C=Cc1ccc2c(c1)C=CC2 271570a_100011290941_100009814306 [0,1,0,1,0,0|1,0,1]=4 6921 B12R2.44 C=Cc1ccc2c(c1)CC=C2 271570a_100011290941_200009818231 [0,1,0,1,0,0|1,0,1]=4 6922 B12R2.44 C=Cc1ccc2c(c1)CCC2 271570a_100011290941_100000745594 [0,1,0,1,0,0|1,0,0]=3 6923 B12R2.44 C=Cc1ccc2c(c1)CCN2 271570a_100011290941_100000026929 [0,1,0,1,0,0|1,0,0]=3 6924 B12R2.44 C=Cc1ccc2c(c1)CCO2 271570a_100011290941_100000729065 [0,1,0,1,0,0|1,0,0]=3 6925 B12R2.44 C=Cc1ccc2c(c1)CNC2 271570a_100011290941_100000702344 [0,1,0,1,0,0|1,0,0]=3 6926 B12R2.44 C=Cc1ccc2c(c1)COC2 271570a_100011290941_100000698232 [0,1,0,1,0,0|1,0,0]=3 6927 B12R2.44 C=Cc1ccc2c(c1)NCC2 271570a_100011290941_100000754641 [0,1,0,1,0,0|1,0,0]=3 6928 B12R2.44 C=Cc1ccc2c(c1)OCC2 271570a_100011290941_100009818566 [0,1,0,1,0,0|1,0,0]=3 6929 B12R2.44 C=Cc1ccc2c(c1)OCO2 271570a_100011290941_100000688060 [0,1,0,1,0,0|2,0,0]=4 6930 B12R2.44 C=Cc1ccc2c(n1)CCC2 271570a_100011290941_100000046531 [0,1,0,1,0,0|2,0,0]=4 6931 B12R2.44 C=Cc1ccc2c(n1)CCN2 271570a_100011290941_100009872833 [0,1,0,1,0,0|2,0,0]=4 6932 B12R2.44 C=Cc1ccc2c(n1)CNC2 271570a_100011290941_100016995040 [0,1,0,1,0,0|2,0,0]=4 6933 B12R2.44 C=Cc1cnc2c(c1)CCC2 271570a_100011290941_100000693888 [0,1,0,1,0,0|2,0,0]=4 6934 B12R2.44 C=Cc1cnc2c(c1)CCN2 271570a_100011290941_100009817725 [0,1,0,1,0,0|2,0,0]=4 6935 B12R2.44 C=Cc1cnc2c(c1)NCC2 271570a_100011290941_100000698607 [0,1,0,1,0,0|2,0,0]=4 6936 B12R2.44 CNc1ccc2c(c1)CCC2 2230a_100000211504_200000210301 [0,1,0,1,0,0|2,0,0]=4 6937 B12R2.44 CNc1ccc2c(c1)CCC2 34a_100000211504_200000210301 [0,1,0,1,0,0|2,0,0]=4 6938 B12R2.44 CNc1ccc2c(c1)CCO2 2230a_100000736984_200000210301 [0,1,0,1,0,0|2,0,0]=4 6939 B12R2.44 CNc1ccc2c(c1)CCO2 34a_100000736984_200000210301 [0,1,0,1,0,0|2,0,0]=4 6940 B12R2.44 CNc1ccc2c(c1)COC2 2230a_100011728444_200000210301 [0,1,0,1,0,0|2,0,0]=4 6941 B12R2.44 CNc1ccc2c(c1)COC2 34a_100011728444_200000210301 [0,1,0,1,0,0|2,0,0]=4 6942 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [0,1,0,1,0,0|1,0,1]=4 6943 B12R2.44 CNc1ccc2cnoc2c1 34a_100000084182_200000210301 [0,1,0,1,0,0|1,0,1]=4 6944 B12R2.44 CNc1ccc2ncoc2c1 34a_100011248239_200000210301 [0,1,0,1,0,0|1,0,1]=4 6945 B12R2.44 CNc1ccc2ncsc2c1 34a_100011215093_200000210301 [0,1,0,1,0,0|1,1,0]=4 6946 B12R2.44 CNc1ccc2occc2c1 34a_106430523501_200000210301 [0,1,0,1,0,0|2,0,0]=4 6947 B12R2.44 CNc1ccc2ocnc2c1 34a_100011219863_200000210301 [0,1,0,1,0,0|2,0,0]=4 6948 B12R2.44 CNc1ccc2sccc2c1 34a_100000681076_200000210301 [0,1,0,1,0,0|2,0,0]=4 6949 B12R2.44 CNc1ccc2scnc2c1 34a_100000047738_200000210301 [0,1,0,1,0,0|2,0,0]=4 6950 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [0,1,0,1,0,0|2,0,0]=4 6951 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [0,1,0,1,0,0|2,0,0]=4 6952 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [0,1,0,1,0,0|2,0,0]=4 6953 B12R2.44 COc1ccc2c(c1)CCN2 34a_100020636429_200000210301 [0,1,0,1,0,0|2,0,0]=4 6954 B12R2.44 COc1ccc2c(c1)CNC2 34a_100015195982_200000210301 [0,1,0,1,0,0|2,0,0]=4 6955 B12R2.44 COc1ccc2c(c1)NCC2 34a_100020636427_200000210301 [0,1,0,1,0,0|2,0,0]=4 6956 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [0,1,0,1,0,0|2,0,0]=4 6957 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [0,1,0,1,0,0|1,0,1]=4 6958 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [0,1,0,1,0,0|1,0,1]=4 6959 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [0,1,0,1,0,0|1,0,1]=4 6960 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [0,1,0,1,0,0|1,0,1]=4 6961 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [0,1,0,1,0,0|1,1,0]=4 6962 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [0,1,0,1,0,0|1,1,0]=4 6963 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [0,1,0,1,0,0|2,0,0]=4 6964 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [0,1,0,1,0,0|2,0,0]=4 6965 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [0,1,0,1,0,0|2,0,0]=4 6966 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [0,1,0,1,0,0|2,0,0]=4 6967 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [0,1,0,1,0,0|2,0,0]=4 6968 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [0,1,0,1,0,0|2,0,0]=4 6969 B12R2.44 CSc1ccc2[nH]ccc2c1 62a_200000210301_100000035808 [0,1,0,1,0,0|2,0,0]=4 6970 B12R2.44 CSc1ccc2[nH]cnc2c1 62a_200000210301_100011265325 [0,1,0,1,0,0|2,0,0]=4 6971 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [0,1,0,1,0,0|2,0,0]=4 6972 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [0,1,0,1,0,0|2,0,0]=4 6973 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200000210301_200009818231 [0,1,0,1,0,0|2,0,0]=4 6974 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200009818231_200000210301 [0,1,0,1,0,0|2,0,0]=4 6975 B12R2.44 CSc1ccc2c(c1)CCC2 62a_100000745594_200000210301 [0,1,0,1,0,0|2,0,0]=4 6976 B12R2.44 CSc1ccc2c(c1)CCC2 62a_200000210301_100000745594 [0,1,0,1,0,0|2,0,0]=4 6977 B12R2.44 CSc1ccc2c(c1)CCN2 62a_100000691068_200000210301 [0,1,0,1,0,0|2,0,0]=4 6978 B12R2.44 CSc1ccc2c(c1)CCN2 62a_200000210301_100000691068 [0,1,0,1,0,0|2,0,0]=4 6979 B12R2.44 CSc1ccc2c(c1)CCO2 62a_100000729065_200000210301 [0,1,0,1,0,0|2,0,0]=4 6980 B12R2.44 CSc1ccc2c(c1)CCO2 62a_200000210301_100000729065 [0,1,0,1,0,0|2,0,0]=4 6981 B12R2.44 CSc1ccc2c(c1)CNC2 62a_100000702344_200000210301 [0,1,0,1,0,0|2,0,0]=4 6982 B12R2.44 CSc1ccc2c(c1)CNC2 62a_200000210301_100000702344 [0,1,0,1,0,0|2,0,0]=4 6983 B12R2.44 CSc1ccc2c(c1)COC2 62a_100000698232_200000210301 [0,1,0,1,0,0|2,0,0]=4 6984 B12R2.44 CSc1ccc2c(c1)COC2 62a_200000210301_100000698232 [0,1,0,1,0,0|2,0,0]=4 6985 B12R2.44 CSc1ccc2c(c1)NCC2 62a_100000754641_200000210301 [0,1,0,1,0,0|2,0,0]=4 6986 B12R2.44 CSc1ccc2c(c1)NCC2 62a_200000210301_100000754641 [0,1,0,1,0,0|2,0,0]=4 6987 B12R2.44 CSc1ccc2c(c1)OCC2 62a_100009818566_200000210301 [0,1,0,1,0,0|2,0,0]=4 6988 B12R2.44 CSc1ccc2c(c1)OCC2 62a_200000210301_100009818566 [0,1,0,1,0,0|2,0,0]=4 6989 B12R2.44 CSc1ccc2cc[nH]c2c1 62a_200000210301_100000743809 [0,1,0,1,0,0|2,0,0]=4 6990 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [0,1,0,1,0,0|1,0,1]=4 6991 B12R2.44 CSc1ccc2ccsc2c1 62a_200000210301_100009888917 [0,1,0,1,0,0|1,1,0]=4 6992 B12R2.44 CSc1ccc2cn[nH]c2c1 62a_200000210301_100000049514 [0,1,0,1,0,0|2,0,0]=4 6993 B12R2.44 CSc1ccc2cnoc2c1 62a_200000210301_100009817722 [0,1,0,1,0,0|1,0,1]=4 6994 B12R2.44 CSc1ccc2cscc2c1 62a_200000210301_200010760811 [0,1,0,1,0,0|1,1,0]=4 6995 B12R2.44 CSc1ccc2csnc2c1 62a_200000210301_100010170880 [0,1,0,1,0,0|1,1,0]=4 6996 B12R2.44 CSc1ccc2ncoc2c1 62a_200000210301_100009817590 [0,1,0,1,0,0|1,0,1]=4 6997 B12R2.44 CSc1ccc2ncsc2c1 62a_100009816678_200000210301 [0,1,0,1,0,0|1,1,0]=4 6998 B12R2.44 CSc1ccc2ncsc2c1 62a_200000210301_100009816678 [0,1,0,1,0,0|1,1,0]=4 6999 B12R2.44 CSc1ccc2occc2c1 62a_200000210301_100000691453 [0,1,0,1,0,0|2,0,0]=4 7000 B12R2.44 CSc1ccc2ocnc2c1 62a_200000210301_100009816175 [0,1,0,1,0,0|2,0,0]=4 7001 B12R2.44 CSc1ccc2sccc2c1 62a_200000210301_100009814439 [0,1,0,1,0,0|2,0,0]=4 7002 B12R2.44 CSc1ccc2scnc2c1 62a_200000210301_100010005895 [0,1,0,1,0,0|2,0,0]=4 7003 B12R2.44 [13CH3]Nc1ccc2c(c1)CCC2 2230a_100000211504_200025704644 [0,1,0,1,0,0|2,0,0]=4 7004 B12R2.44 [13CH3]Nc1ccc2c(c1)CCC2 34a_100000211504_200025704644 [0,1,0,1,0,0|2,0,0]=4 7005 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 2230a_100000736984_200025704644 [0,1,0,1,0,0|2,0,0]=4 7006 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 34a_100000736984_200025704644 [0,1,0,1,0,0|2,0,0]=4 7007 B12R2.44 [13CH3]Nc1ccc2c(c1)COC2 2230a_100011728444_200025704644 [0,1,0,1,0,0|2,0,0]=4 7008 B12R2.44 [13CH3]Nc1ccc2c(c1)COC2 34a_100011728444_200025704644 [0,1,0,1,0,0|2,0,0]=4 7009 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [0,1,0,1,0,0|1,0,1]=4 7010 B12R2.44 [13CH3]Nc1ccc2cnoc2c1 34a_100000084182_200025704644 [0,1,0,1,0,0|1,0,1]=4 7011 B12R2.44 [13CH3]Nc1ccc2ncoc2c1 34a_100011248239_200025704644 [0,1,0,1,0,0|1,0,1]=4 7012 B12R2.44 [13CH3]Nc1ccc2ncsc2c1 34a_100011215093_200025704644 [0,1,0,1,0,0|1,1,0]=4 7013 B12R2.44 [13CH3]Nc1ccc2occc2c1 34a_106430523501_200025704644 [0,1,0,1,0,0|2,0,0]=4 7014 B12R2.44 [13CH3]Nc1ccc2ocnc2c1 34a_100011219863_200025704644 [0,1,0,1,0,0|2,0,0]=4 7015 B12R2.44 [13CH3]Nc1ccc2sccc2c1 34a_100000681076_200025704644 [0,1,0,1,0,0|2,0,0]=4 7016 B12R2.44 [13CH3]Nc1ccc2scnc2c1 34a_100000047738_200025704644 [0,1,0,1,0,0|2,0,0]=4 7017 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [0,1,0,1,0,0|2,0,0]=4 7018 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [0,1,0,1,0,0|2,0,0]=4 7019 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [0,1,0,1,0,0|2,0,0]=4 7020 B12R2.44 [13CH3]Oc1ccc2c(c1)CCN2 34a_100020636429_200025704644 [0,1,0,1,0,0|2,0,0]=4 7021 B12R2.44 [13CH3]Oc1ccc2c(c1)CNC2 34a_100015195982_200025704644 [0,1,0,1,0,0|2,0,0]=4 7022 B12R2.44 [13CH3]Oc1ccc2c(c1)NCC2 34a_100020636427_200025704644 [0,1,0,1,0,0|2,0,0]=4 7023 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [0,1,0,1,0,0|2,0,0]=4 7024 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [0,1,0,1,0,0|1,0,1]=4 7025 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [0,1,0,1,0,0|1,0,1]=4 7026 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [0,1,0,1,0,0|1,0,1]=4 7027 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [0,1,0,1,0,0|1,0,1]=4 7028 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [0,1,0,1,0,0|1,1,0]=4 7029 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [0,1,0,1,0,0|1,1,0]=4 7030 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [0,1,0,1,0,0|2,0,0]=4 7031 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [0,1,0,1,0,0|2,0,0]=4 7032 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [0,1,0,1,0,0|2,0,0]=4 7033 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [0,1,0,1,0,0|2,0,0]=4 7034 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [0,1,0,1,0,0|2,0,0]=4 7035 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [0,1,0,1,0,0|2,0,0]=4 7036 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2c1 62a_200025704644_100000035808 [0,1,0,1,0,0|2,0,0]=4 7037 B12R2.44 [13CH3]Sc1ccc2[nH]cnc2c1 62a_200025704644_100011265325 [0,1,0,1,0,0|2,0,0]=4 7038 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [0,1,0,1,0,0|2,0,0]=4 7039 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [0,1,0,1,0,0|2,0,0]=4 7040 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200009818231_200025704644 [0,1,0,1,0,0|2,0,0]=4 7041 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200025704644_200009818231 [0,1,0,1,0,0|2,0,0]=4 7042 B12R2.44 [13CH3]Sc1ccc2c(c1)CCC2 62a_100000745594_200025704644 [0,1,0,1,0,0|2,0,0]=4 7043 B12R2.44 [13CH3]Sc1ccc2c(c1)CCC2 62a_200025704644_100000745594 [0,1,0,1,0,0|2,0,0]=4 7044 B12R2.44 [13CH3]Sc1ccc2c(c1)CCN2 62a_100000691068_200025704644 [0,1,0,1,0,0|2,0,0]=4 7045 B12R2.44 [13CH3]Sc1ccc2c(c1)CCN2 62a_200025704644_100000691068 [0,1,0,1,0,0|2,0,0]=4 7046 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_100000729065_200025704644 [0,1,0,1,0,0|2,0,0]=4 7047 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_200025704644_100000729065 [0,1,0,1,0,0|2,0,0]=4 7048 B12R2.44 [13CH3]Sc1ccc2c(c1)CNC2 62a_100000702344_200025704644 [0,1,0,1,0,0|2,0,0]=4 7049 B12R2.44 [13CH3]Sc1ccc2c(c1)CNC2 62a_200025704644_100000702344 [0,1,0,1,0,0|2,0,0]=4 7050 B12R2.44 [13CH3]Sc1ccc2c(c1)COC2 62a_100000698232_200025704644 [0,1,0,1,0,0|2,0,0]=4 7051 B12R2.44 [13CH3]Sc1ccc2c(c1)COC2 62a_200025704644_100000698232 [0,1,0,1,0,0|2,0,0]=4 7052 B12R2.44 [13CH3]Sc1ccc2c(c1)NCC2 62a_100000754641_200025704644 [0,1,0,1,0,0|2,0,0]=4 7053 B12R2.44 [13CH3]Sc1ccc2c(c1)NCC2 62a_200025704644_100000754641 [0,1,0,1,0,0|2,0,0]=4 7054 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_100009818566_200025704644 [0,1,0,1,0,0|2,0,0]=4 7055 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_200025704644_100009818566 [0,1,0,1,0,0|2,0,0]=4 7056 B12R2.44 [13CH3]Sc1ccc2cc[nH]c2c1 62a_200025704644_100000743809 [0,1,0,1,0,0|2,0,0]=4 7057 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [0,1,0,1,0,0|1,0,1]=4 7058 B12R2.44 [13CH3]Sc1ccc2ccsc2c1 62a_200025704644_100009888917 [0,1,0,1,0,0|1,1,0]=4 7059 B12R2.44 [13CH3]Sc1ccc2cn[nH]c2c1 62a_200025704644_100000049514 [0,1,0,1,0,0|2,0,0]=4 7060 B12R2.44 [13CH3]Sc1ccc2cnoc2c1 62a_200025704644_100009817722 [0,1,0,1,0,0|1,0,1]=4 7061 B12R2.44 [13CH3]Sc1ccc2cscc2c1 62a_200025704644_200010760811 [0,1,0,1,0,0|1,1,0]=4 7062 B12R2.44 [13CH3]Sc1ccc2csnc2c1 62a_200025704644_100010170880 [0,1,0,1,0,0|1,1,0]=4 7063 B12R2.44 [13CH3]Sc1ccc2ncoc2c1 62a_200025704644_100009817590 [0,1,0,1,0,0|1,0,1]=4 7064 B12R2.44 [13CH3]Sc1ccc2ncsc2c1 62a_100009816678_200025704644 [0,1,0,1,0,0|1,1,0]=4 7065 B12R2.44 [13CH3]Sc1ccc2ncsc2c1 62a_200025704644_100009816678 [0,1,0,1,0,0|1,1,0]=4 7066 B12R2.44 [13CH3]Sc1ccc2occc2c1 62a_200025704644_100000691453 [0,1,0,1,0,0|2,0,0]=4 7067 B12R2.44 [13CH3]Sc1ccc2ocnc2c1 62a_200025704644_100009816175 [0,1,0,1,0,0|2,0,0]=4 7068 B12R2.44 [13CH3]Sc1ccc2sccc2c1 62a_200025704644_100009814439 [0,1,0,1,0,0|2,0,0]=4 7069 B12R2.44 [13CH3]Sc1ccc2scnc2c1 62a_200025704644_100010005895 [0,1,0,1,0,0|2,0,0]=4 7070 B12R2.143 C=C=Cc1ccc2c(c1)CC2 271570a_100015277604_100009818592 [0,1,0,1,0,0|1,0,0]=3 7071 B12R2.143 CC=Cc1ccc2c(c1)CC2 271570a_100016259895_100009818592 [0,1,0,1,0,0|1,0,0]=3 7072 B12R2.143 CCSc1ccc2c(c1)CC2 62a_100000210202_100009818592 [0,1,0,1,0,0|1,0,1]=4 7073 B12R2.143 CCSc1ccc2c(c1)CC2 62a_100009818592_100000210202 [0,1,0,1,0,0|1,0,1]=4 7074 B12R2.143 CNCc1ccc2c(c1)CC2 207a_100102657272_100010273998 [0,1,0,1,0,0|1,0,1]=4 7075 B12R2.143 CNCc1ccc2c(c1)CC2 270004a_106832991635_100010273998 [0,1,0,1,0,0|1,0,1]=4 7076 B12R2.143 COCc1ccc2c(c1)CC2 34a_100010733339_200000210301 [0,1,0,1,0,0|0,0,2]=4 7077 B12R2.143 COCc1ccc2c(c1)CC2 7a_100010733339_200000210301 [0,1,0,1,0,0|0,0,2]=4 7078 B12R2.143 FCSc1ccc2c(c1)CC2 62a_100009818592_100015361967 [0,1,0,1,0,0|1,0,1]=4 7079 B12R2.143 FCSc1ccc2c(c1)CC2 62a_100015361967_100009818592 [0,1,0,1,0,0|1,0,1]=4 7080 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 34a_100010733339_200025704644 [0,1,0,1,0,0|0,0,2]=4 7081 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 7a_100010733339_200025704644 [0,1,0,1,0,0|0,0,2]=4 7082 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [1,0,0,0,1,0|2,0,0]=4 7083 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,0,0,0,1,0|2,0,0]=4 7084 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [1,0,0,0,1,0|2,0,0]=4 7085 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [1,0,0,0,1,0|1,0,1]=4 7086 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,0,0,0,1,0|1,0,1]=4 7087 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,0,0,0,1,0|2,0,0]=4 7088 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,0,0,0,1,0|2,0,0]=4 7089 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,0,0,0,1,0|2,0,0]=4 7090 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,0,0,0,1,0|2,0,0]=4 7091 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,0,0,0,1,0|2,0,0]=4 7092 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,0,0,0,1,0|2,0,0]=4 7093 B10R1.172 C=Cc1cc(ccn1)C=O 271570a_100011290941_100011290808 [0,0,0,0,1,1|0,0,2]=4 7094 B10R1.172 C=Cc1cc(ccn1)CC 271570a_100011290941_100009817561 [0,0,0,0,1,1|1,0,0]=3 7095 B10R1.172 C=Cc1cc(ccn1)CO 271570a_100011290941_100009814636 [0,0,0,0,1,1|2,0,0]=4 7096 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [0,0,0,0,1,1|2,0,0]=4 7097 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [0,0,0,0,1,1|2,0,0]=4 7098 B10R1.172 C=Cc1cc(ccn1)SC 271570a_100011290941_100010883326 [0,0,0,0,1,1|2,0,0]=4 7099 B10R1.172 C=Cc1cc(ccn1)SC 62a_100009845566_200000210301 [0,0,0,0,1,1|2,0,0]=4 7100 B10R1.172 C=Cc1cc(ccn1)SC 62a_200000210301_100009845566 [0,0,0,0,1,1|2,0,0]=4 7101 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_100009845566_200025704644 [0,0,0,0,1,1|2,0,0]=4 7102 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_200025704644_100009845566 [0,0,0,0,1,1|2,0,0]=4 7103 B10R1.172 C=Cc1cc(ncn1)CC 271570a_100011290941_100000744278 [0,0,0,0,1,1|2,0,0]=4 7104 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [0,0,0,0,1,1|0,0,2]=4 7105 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [0,0,0,0,1,1|1,0,0]=3 7106 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [0,0,0,0,1,1|2,0,0]=4 7107 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [0,0,0,0,1,1|2,0,0]=4 7108 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [0,0,0,0,1,1|2,0,0]=4 7109 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [0,0,0,0,1,1|2,0,0]=4 7110 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [0,0,0,0,1,1|2,0,0]=4 7111 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [0,0,0,0,1,1|2,0,0]=4 7112 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [0,0,0,0,1,1|2,0,0]=4 7113 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [0,0,0,0,1,1|2,0,0]=4 7114 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [0,0,0,0,1,1|2,0,0]=4 7115 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [0,0,0,0,1,1|2,0,0]=4 7116 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [0,0,0,0,1,1|2,0,0]=4 7117 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [0,0,0,0,1,1|2,0,0]=4 7118 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [0,0,0,0,1,1|2,0,0]=4 7119 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [0,0,0,0,1,1|2,0,0]=4 7120 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [0,0,0,0,1,1|2,0,0]=4 7121 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [0,0,0,0,1,1|2,0,0]=4 7122 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [0,0,0,0,1,1|2,0,0]=4 7123 B10R1.172 C=Cc1ccnc(c1)C=O 271570a_100011290941_100011998288 [0,0,0,0,1,1|0,0,2]=4 7124 B10R1.172 C=Cc1ccnc(c1)CC 271570a_100011290941_100009820011 [0,0,0,0,1,1|1,0,0]=3 7125 B10R1.172 C=Cc1ccnc(c1)CN 271570a_100011290941_100000085674 [0,0,0,0,1,1|2,0,0]=4 7126 B10R1.172 C=Cc1ccnc(c1)CO 271570a_100011290941_100009819072 [0,0,0,0,1,1|2,0,0]=4 7127 B10R1.172 C=Cc1ccnc(c1)NC 271570a_100011290941_100009819592 [0,0,0,0,1,1|2,0,0]=4 7128 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [0,0,0,0,1,1|2,0,0]=4 7129 B10R1.172 C=Cc1cncc(c1)C=O 271570a_100011290941_100000687066 [0,0,0,0,1,1|0,0,2]=4 7130 B10R1.172 C=Cc1cncc(c1)CC 271570a_100011290941_200009819073 [0,0,0,0,1,1|1,0,0]=3 7131 B10R1.172 C=Cc1cncc(c1)CN 271570a_100011290941_100011249555 [0,0,0,0,1,1|2,0,0]=4 7132 B10R1.172 C=Cc1cncc(c1)CO 271570a_100011290941_100011259137 [0,0,0,0,1,1|2,0,0]=4 7133 B10R1.172 C=Cc1cncc(c1)NC 271570a_100011290941_100012184536 [0,0,0,0,1,1|2,0,0]=4 7134 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [0,0,0,0,1,1|2,0,0]=4 7135 B10R1.172 C=Cc1cncc(c1)SC 271570a_100011290941_100009816972 [0,0,0,0,1,1|2,0,0]=4 7136 B10R1.172 C=Cc1cncc(c1)SC 62a_200000210301_200012180632 [0,0,0,0,1,1|2,0,0]=4 7137 B10R1.172 C=Cc1cncc(c1)SC 62a_200012180632_200000210301 [0,0,0,0,1,1|2,0,0]=4 7138 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200012180632_200025704644 [0,0,0,0,1,1|2,0,0]=4 7139 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200025704644_200012180632 [0,0,0,0,1,1|2,0,0]=4 7140 B10R1.172 C=Cc1nccc(n1)CC 271570a_100011290941_100000100215 [0,0,0,0,1,1|2,0,0]=4 7141 B10R1.172 CCc1cc(ccn1)NC 27a_100102657272_100009820011 [0,0,0,0,1,1|2,0,0]=4 7142 B10R1.172 CCc1cc(ccn1)SC 62a_100009820011_200000210301 [0,0,0,0,1,1|2,0,0]=4 7143 B10R1.172 CCc1cc(ccn1)SC 62a_200000210301_100009820011 [0,0,0,0,1,1|2,0,0]=4 7144 B10R1.172 CCc1cc(ccn1)S[13CH3] 62a_100009820011_200025704644 [0,0,0,0,1,1|2,0,0]=4 7145 B10R1.172 CCc1cc(ccn1)S[13CH3] 62a_200025704644_100009820011 [0,0,0,0,1,1|2,0,0]=4 7146 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [0,0,0,0,1,1|2,0,0]=4 7147 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [0,0,0,0,1,1|2,0,0]=4 7148 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [0,0,0,0,1,1|2,0,0]=4 7149 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [0,0,0,0,1,1|2,0,0]=4 7150 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [0,0,0,0,1,1|2,0,0]=4 7151 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [0,0,0,0,1,1|2,0,0]=4 7152 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [0,0,0,0,1,1|2,0,0]=4 7153 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [0,0,0,0,1,1|2,0,0]=4 7154 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [0,0,0,0,1,1|2,0,0]=4 7155 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [0,0,0,0,1,1|2,0,0]=4 7156 B10R1.172 CCc1cccc(c1)SC 62a_100011263222_200000210301 [0,0,0,0,1,1|2,0,0]=4 7157 B10R1.172 CCc1cccc(c1)SC 62a_200000210301_100011263222 [0,0,0,0,1,1|2,0,0]=4 7158 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_100011263222_200025704644 [0,0,0,0,1,1|2,0,0]=4 7159 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_200025704644_100011263222 [0,0,0,0,1,1|2,0,0]=4 7160 B10R1.172 CCc1ccnc(c1)NC 27a_100102657272_100009817561 [0,0,0,0,1,1|2,0,0]=4 7161 B10R1.172 CCc1ccnc(c1)SC 62a_100009817561_200000210301 [0,0,0,0,1,1|2,0,0]=4 7162 B10R1.172 CCc1ccnc(c1)SC 62a_200000210301_100009817561 [0,0,0,0,1,1|2,0,0]=4 7163 B10R1.172 CCc1ccnc(c1)S[13CH3] 62a_100009817561_200025704644 [0,0,0,0,1,1|2,0,0]=4 7164 B10R1.172 CCc1ccnc(c1)S[13CH3] 62a_200025704644_100009817561 [0,0,0,0,1,1|2,0,0]=4 7165 B10R1.172 CCc1cncc(c1)OC 34a_200009861530_200000210301 [0,0,0,0,1,1|2,0,0]=4 7166 B10R1.172 CCc1cncc(c1)OC 7a_200009861530_200000210301 [0,0,0,0,1,1|2,0,0]=4 7167 B10R1.172 CCc1cncc(c1)O[13CH3] 34a_200009861530_200025704644 [0,0,0,0,1,1|2,0,0]=4 7168 B10R1.172 CCc1cncc(c1)O[13CH3] 7a_200009861530_200025704644 [0,0,0,0,1,1|2,0,0]=4 7169 B10R1.172 CCc1cncc(c1)SC 62a_200000210301_200009819073 [0,0,0,0,1,1|2,0,0]=4 7170 B10R1.172 CCc1cncc(c1)SC 62a_200009819073_200000210301 [0,0,0,0,1,1|2,0,0]=4 7171 B10R1.172 CCc1cncc(c1)S[13CH3] 62a_200009819073_200025704644 [0,0,0,0,1,1|2,0,0]=4 7172 B10R1.172 CCc1cncc(c1)S[13CH3] 62a_200025704644_200009819073 [0,0,0,0,1,1|2,0,0]=4 7173 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [0,0,0,0,1,1|1,0,0]=3 7174 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [0,0,0,0,1,1|1,0,0]=3 7175 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [0,0,0,0,1,1|1,0,0]=3 7176 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [0,0,0,0,1,1|1,0,0]=3 7177 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [0,0,0,0,1,1|2,0,0]=4 7178 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [0,0,0,0,1,1|2,0,0]=4 7179 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [0,0,0,0,1,1|1,0,0]=3 7180 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [0,0,0,0,1,1|1,0,0]=3 7181 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [0,0,0,0,1,1|1,0,0]=3 7182 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [0,0,0,0,1,1|1,0,0]=3 7183 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [0,0,0,0,1,1|1,0,0]=3 7184 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [0,0,0,0,1,1|1,0,0]=3 7185 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [0,0,0,0,1,1|1,0,0]=3 7186 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [0,0,0,0,1,1|1,0,0]=3 7187 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [0,0,0,0,1,1|2,0,0]=4 7188 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [0,0,0,0,1,1|2,0,0]=4 7189 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [0,0,0,0,1,1|1,0,0]=3 7190 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [0,0,0,0,1,1|1,0,0]=3 7191 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [0,0,0,0,1,1|1,0,0]=3 7192 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [0,0,0,0,1,1|1,0,0]=3