0 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [0,0,0,0,0,0|1,0,3]=4 3 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [0,0,0,0,0,0|0,0,4]=4 4 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [0,0,0,0,0,0|1,0,2]=3 5 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [0,0,0,0,0,0|1,0,2]=3 6 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [0,0,0,0,0,0|0,0,2]=2 8 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.3 C=C(C)c1ccc(cn1)CN 271570a_100000694244_100009817727 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.3 C=C(C)c1ccc(cn1)CO 271570a_100000694244_100009816760 [0,0,0,0,0,0|1,0,2]=3 23 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.3 C=C(C)c1ccc(nc1)CN 271570a_100000694244_100015188789 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.3 C=C(C)c1ccc(nc1)CO 271570a_100000694244_100000754261 [0,0,0,0,0,0|1,0,2]=3 26 B11R1.3 C=C(C)c1cnc(cn1)CO 271570a_100000694244_100012002382 [0,0,0,0,0,0|2,0,2]=4 27 B11R1.3 C=C(C)c1cnc(nc1)CO 271570a_100000694244_100009867226 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.3 C=C(C)c1ncc(cn1)CO 271570a_100000694244_100009855073 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [0,0,0,0,0,0|1,0,3]=4 30 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,0,0,0,0,0|2,0,2]=4 31 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,0,0,0,0,0|2,0,2]=4 32 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,0,0,0,0,0|2,0,2]=4 33 B11R1.3 C=Cc1ccc(cc1)C(C)C 271570a_100011290941_100000750031 [0,0,0,0,0,0|1,0,1]=2 34 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [0,0,0,0,0,0|2,0,1]=3 35 B11R1.3 C=Cc1ccc(cc1)C(F)F 271570a_100011290941_100010189923 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.3 C=Cc1ccc(cc1)N(C)C 271570a_100011290941_100000210421 [0,0,0,0,0,0|2,0,1]=3 37 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.3 C=Cc1ccc(cc1)[C@@H](C)N 271570a_100011290941_100000720352 [0,0,0,0,0,0|2,0,1]=3 39 B11R1.3 C=Cc1ccc(cc1)[C@H](C)N 271570a_100011290941_100000753911 [0,0,0,0,0,0|2,0,1]=3 40 B11R1.3 C=Cc1ccc(cn1)C(C)C 271570a_100011290941_200009815286 [0,0,0,0,0,0|2,0,1]=3 41 B11R1.3 C=Cc1ccc(cn1)C(C)O 271570a_100011290941_200010274204 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.3 C=Cc1ccc(cn1)N(C)C 271570a_100011290941_100009992925 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.3 C=Cc1ccc(cn1)[C@H](C)N 271570a_100011290941_100015387476 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.3 C=Cc1ccc(nc1)C(C)C 271570a_100011290941_100010255768 [0,0,0,0,0,0|2,0,1]=3 45 B11R1.3 C=Cc1ccc(nc1)C(C)N 271570a_100011290941_100000723930 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.3 C=Cc1ccc(nc1)C(C)O 271570a_100011290941_100012353650 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.3 C=Cc1ccc(nc1)N(C)C 271570a_100011290941_100011465347 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.3 C=Cc1cnc(nc1)C(C)C 271570a_100011290941_200009814916 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.3 C=Cc1ncc(cn1)C(C)C 271570a_100011290941_100000102307 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,0,0,0,0,0|2,0,2]=4 51 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,0,0,0,0,0|1,0,1]=2 52 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [0,0,0,0,0,0|2,0,0]=2 57 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [0,0,0,0,0,0|2,0,0]=2 58 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [0,0,0,0,0,0|2,0,0]=2 59 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [0,0,0,0,0,0|2,0,0]=2 60 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [0,0,0,0,0,0|2,0,0]=2 62 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [0,0,0,0,0,0|2,0,0]=2 63 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_100010255768_200025704644 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010255768 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200009815286_200025704644 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200025704644_200009815286 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.3 CC(C)c1cnc(nc1)S[13CH3] 62a_100000102307_200025704644 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.3 CC(C)c1cnc(nc1)S[13CH3] 62a_200025704644_100000102307 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.3 CC(C)c1ncc(cn1)S[13CH3] 62a_200009814916_200025704644 [0,0,0,0,0,0|4,0,0]=4 70 B11R1.3 CC(C)c1ncc(cn1)S[13CH3] 62a_200025704644_200009814916 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_100000723930_200025704644 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_200025704644_100000723930 [0,0,0,0,0,0|4,0,0]=4 73 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,0,0,0,0,0|3,0,0]=3 77 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [0,0,0,0,0,0|3,0,0]=3 78 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_100012353650_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012353650 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200010274204_200025704644 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200025704644_200010274204 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,0,0,0,0,0|2,0,1]=3 84 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,0,0,0,0,0|2,0,1]=3 85 B11R1.3 CCc1cnc(nc1)N(C)C 27a_100102631434_100000033099 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.3 CN(C)c1ccc(cc1)C#N 269982a_100000739737_200000210301 [0,0,0,0,0,0|2,0,1]=3 87 B11R1.3 CN(C)c1ccc(cc1)C#N 34a_100000739737_200000210301 [0,0,0,0,0,0|2,0,1]=3 88 B11R1.3 CN(C)c1ccc(cc1)N[13CH3] 34a_100016997997_200025704644 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [0,0,0,0,0,0|3,0,0]=3 90 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_100000210421_200025704644 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000210421 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.3 CN(C)c1ccc(cn1)C#N 27a_100102631434_100000241038 [0,0,0,0,0,0|3,0,1]=4 93 B11R1.3 CN(C)c1ccc(cn1)S[13CH3] 62a_100011465347_200025704644 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.3 CN(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100011465347 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.3 CN(C)c1ccc(nc1)S[13CH3] 62a_100009992925_200025704644 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.3 CN(C)c1ccc(nc1)S[13CH3] 62a_200025704644_100009992925 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.3 CN(C)c1cnc(cn1)CO 27a_100102631434_100012002382 [0,0,0,0,0,0|3,0,0]=3 98 B11R1.3 CN(C)c1ncc(cn1)CO 27a_100102631434_100009855073 [0,0,0,0,0,0|3,0,0]=3 99 B11R1.3 CN([13CH3])c1ccc(cc1)C#N 269982a_100000739737_200025704644 [0,0,0,0,0,0|2,0,1]=3 100 B11R1.3 CN([13CH3])c1ccc(cc1)C#N 34a_100000739737_200025704644 [0,0,0,0,0,0|2,0,1]=3 101 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [0,0,0,0,0,0|2,0,0]=2 102 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [0,0,0,0,0,0|2,0,0]=2 103 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [0,0,0,0,0,0|2,0,0]=2 104 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.3 CNc1ccc(cc1)C(F)F 34a_100020620101_200000210301 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.3 CNc1ccc(cc1)C(F)F 7a_100020620101_200000210301 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.3 CNc1ccc(cc1)N(C)C 34a_100016997997_200000210301 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.3 CNc1cnc(nc1)C(C)C 27a_100102657272_200009814916 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.3 CNc1ncc(cn1)C(C)C 27a_100102657272_100000102307 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,0,0,0,0,0|3,0,1]=4 112 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,0,0,0,0,0|3,0,1]=4 113 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,0,0,0,0,0|3,0,1]=4 114 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,0,0,0,0,0|3,0,1]=4 115 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [0,0,0,0,0,0|2,0,0]=2 116 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [0,0,0,0,0,0|2,0,0]=2 117 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,0,0,0,0,0|3,0,0]=3 119 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [0,0,0,0,0,0|3,0,0]=3 120 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [0,0,0,0,0,0|3,0,0]=3 121 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [0,0,0,0,0,0|3,0,0]=3 122 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [0,0,0,0,0,0|3,0,0]=3 123 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [0,0,0,0,0,0|3,0,0]=3 124 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [0,0,0,0,0,0|3,0,0]=3 125 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [0,0,0,0,0,0|3,0,0]=3 126 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,0,0,0,0,0|4,0,0]=4 128 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [0,0,0,0,0,0|3,0,0]=3 129 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [0,0,0,0,0,0|3,0,0]=3 130 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [0,0,0,0,0,0|3,0,0]=3 131 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,0,0,0,0,0|4,0,0]=4 132 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,0,0,0,0,0|4,0,0]=4 133 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,0,0,0,0,0|4,0,0]=4 134 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,0,0,0,0,0|3,0,1]=4 135 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,0,0,0,0,0|3,0,1]=4 136 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,0,0,0,0,0|3,0,1]=4 137 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,0,0,0,0,0|3,0,1]=4 138 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [0,0,0,0,0,0|2,0,0]=2 139 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [0,0,0,0,0,0|2,0,0]=2 140 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [0,0,0,0,0,0|3,0,0]=3 141 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [0,0,0,0,0,0|3,0,0]=3 142 B11R1.3 CSc1ccc(cc1)C(F)F 62a_100000687661_200000210301 [0,0,0,0,0,0|4,0,0]=4 143 B11R1.3 CSc1ccc(cc1)C(F)F 62a_200000210301_100000687661 [0,0,0,0,0,0|4,0,0]=4 144 B11R1.3 CSc1ccc(cc1)N(C)C 62a_100000210421_200000210301 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.3 CSc1ccc(cc1)N(C)C 62a_200000210301_100000210421 [0,0,0,0,0,0|3,0,0]=3 146 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,0,0,0,0,0|4,0,0]=4 147 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_200000210301 [0,0,0,0,0,0|3,0,0]=3 148 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_200000210301_100000720352 [0,0,0,0,0,0|3,0,0]=3 149 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_100000753911_200000210301 [0,0,0,0,0,0|3,0,0]=3 150 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_200000210301_100000753911 [0,0,0,0,0,0|3,0,0]=3 151 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200000210301_200009815286 [0,0,0,0,0,0|3,0,0]=3 152 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200009815286_200000210301 [0,0,0,0,0,0|3,0,0]=3 153 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200000210301_200010274204 [0,0,0,0,0,0|4,0,0]=4 154 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200010274204_200000210301 [0,0,0,0,0,0|4,0,0]=4 155 B11R1.3 CSc1ccc(cn1)N(C)C 62a_100009992925_200000210301 [0,0,0,0,0,0|4,0,0]=4 156 B11R1.3 CSc1ccc(cn1)N(C)C 62a_200000210301_100009992925 [0,0,0,0,0,0|4,0,0]=4 157 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_100015387476_200000210301 [0,0,0,0,0,0|4,0,0]=4 158 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_200000210301_100015387476 [0,0,0,0,0,0|4,0,0]=4 159 B11R1.3 CSc1ccc(nc1)C(C)C 62a_100010255768_200000210301 [0,0,0,0,0,0|3,0,0]=3 160 B11R1.3 CSc1ccc(nc1)C(C)C 62a_200000210301_100010255768 [0,0,0,0,0,0|3,0,0]=3 161 B11R1.3 CSc1ccc(nc1)C(C)N 62a_100000723930_200000210301 [0,0,0,0,0,0|4,0,0]=4 162 B11R1.3 CSc1ccc(nc1)C(C)N 62a_200000210301_100000723930 [0,0,0,0,0,0|4,0,0]=4 163 B11R1.3 CSc1ccc(nc1)C(C)O 62a_100012353650_200000210301 [0,0,0,0,0,0|4,0,0]=4 164 B11R1.3 CSc1ccc(nc1)C(C)O 62a_200000210301_100012353650 [0,0,0,0,0,0|4,0,0]=4 165 B11R1.3 CSc1ccc(nc1)N(C)C 27a_100102631434_100009820866 [0,0,0,0,0,0|4,0,0]=4 166 B11R1.3 CSc1ccc(nc1)N(C)C 62a_100011465347_200000210301 [0,0,0,0,0,0|4,0,0]=4 167 B11R1.3 CSc1ccc(nc1)N(C)C 62a_200000210301_100011465347 [0,0,0,0,0,0|4,0,0]=4 168 B11R1.3 CSc1cnc(nc1)C(C)C 62a_200000210301_200009814916 [0,0,0,0,0,0|4,0,0]=4 169 B11R1.3 CSc1cnc(nc1)C(C)C 62a_200009814916_200000210301 [0,0,0,0,0,0|4,0,0]=4 170 B11R1.3 CSc1ncc(cn1)C(C)C 62a_100000102307_200000210301 [0,0,0,0,0,0|4,0,0]=4 171 B11R1.3 CSc1ncc(cn1)C(C)C 62a_200000210301_100000102307 [0,0,0,0,0,0|4,0,0]=4 172 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_100000720352_200025704644 [0,0,0,0,0,0|3,0,0]=3 173 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000720352 [0,0,0,0,0,0|3,0,0]=3 174 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [0,0,0,0,0,0|3,0,0]=3 175 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_100000753911_200025704644 [0,0,0,0,0,0|3,0,0]=3 176 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753911 [0,0,0,0,0,0|3,0,0]=3 177 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_100015387476_200025704644 [0,0,0,0,0,0|4,0,0]=4 178 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_200025704644_100015387476 [0,0,0,0,0,0|4,0,0]=4 179 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [0,0,0,0,0,0|3,0,0]=3 180 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [0,0,0,0,0,0|3,0,0]=3 181 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,0,0,0,0,0|2,0,2]=4 182 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,0,0,0,0,0|1,0,1]=2 183 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 34a_100020620101_200025704644 [0,0,0,0,0,0|4,0,0]=4 184 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 7a_100020620101_200025704644 [0,0,0,0,0,0|4,0,0]=4 185 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_100000687661_200025704644 [0,0,0,0,0,0|4,0,0]=4 186 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_200025704644_100000687661 [0,0,0,0,0,0|4,0,0]=4 187 B10R1.3 C#Cc1ccc(cc1)NC 34a_100011215031_200000210301 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.3 C#Cc1ccc(cc1)N[13CH3] 34a_100011215031_200025704644 [1,0,0,0,0,0|2,0,1]=4 189 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [1,0,0,0,0,0|1,0,1]=3 190 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [1,0,0,0,0,0|1,0,2]=4 191 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [1,0,0,0,0,0|1,0,2]=4 192 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,0,0,0,0,0|0,0,2]=3 193 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [1,0,0,0,0,0|2,0,1]=4 194 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [1,0,0,0,0,0|2,0,1]=4 195 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [1,0,0,0,0,0|2,0,1]=4 196 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,0,0,0,0,0|2,0,1]=4 197 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,0,0,0,0,0|2,0,1]=4 198 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,0,0,0,0,0|2,0,1]=4 199 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,0,0,0,0,0|2,0,1]=4 200 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,0,0,0,0,0|2,0,1]=4 201 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [1,0,0,0,0,0|2,0,1]=4 205 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [1,0,0,0,0,0|2,0,1]=4 206 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [1,0,0,0,0,0|2,0,1]=4 207 B10R1.3 C=Cc1ccc(cn1)CO 271570a_100011290941_100009816760 [1,0,0,0,0,0|1,0,2]=4 208 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [1,0,0,0,0,0|2,0,1]=4 209 B10R1.3 C=Cc1ccc(nc1)CO 271570a_100011290941_100000754261 [1,0,0,0,0,0|1,0,2]=4 210 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [1,0,0,0,0,0|2,0,0]=3 211 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [1,0,0,0,0,0|2,0,0]=3 212 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [1,0,0,0,0,0|2,0,0]=3 213 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [1,0,0,0,0,0|2,0,0]=3 216 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [1,0,0,0,0,0|2,0,0]=3 219 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [1,0,0,0,0,0|2,0,0]=3 222 B10R1.3 CCc1ccc(cn1)SC 62a_100009820025_200000210301 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.3 CCc1ccc(cn1)SC 62a_200000210301_100009820025 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_100009820025_200025704644 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_200025704644_100009820025 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.3 CCc1ccc(nc1)SC 62a_100009843584_200000210301 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.3 CCc1ccc(nc1)SC 62a_200000210301_100009843584 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_100009843584_200025704644 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_200025704644_100009843584 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.3 CNc1ccc(cc1)C#N 34a_100000185469_200000210301 [1,0,0,0,0,0|2,0,1]=4 231 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,0,0,0,0,0|1,0,0]=2 232 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,0,0,0,0,0|1,0,0]=2 233 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.3 CNc1ccc(cc1)SC 34a_100000212337_200000210301 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.3 CNc1ccc(cc1)SC 62a_100000743151_200000210301 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.3 CNc1ccc(cc1)SC 62a_200000210301_100000743151 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_100000743151_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_200025704644_100000743151 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.3 CNc1cnc(cn1)CO 27a_100102657272_100012002382 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.3 CNc1ncc(cn1)CO 27a_100102657272_100009855073 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [1,0,0,0,0,0|2,0,1]=4 244 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [1,0,0,0,0,0|2,0,1]=4 245 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [1,0,0,0,0,0|2,0,0]=3 246 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,0,0,0,0,0|1,0,0]=2 247 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.3 COc1ccc(cn1)CN 34a_100000757128_200000210301 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.3 COc1ccc(nc1)CN 34a_100020605196_200000210301 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [1,0,0,0,0,0|2,0,0]=3 256 B10R1.3 CSc1ccc(cc1)C#N 62a_200000210301_100000184291 [1,0,0,0,0,0|2,0,1]=4 257 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,0,0,0,0,0|1,0,2]=4 258 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,0,0,0,0,0|1,0,2]=4 259 B10R1.3 CSc1ccc(cc1)CF 62a_100010268989_200000210301 [1,0,0,0,0,0|2,0,0]=3 260 B10R1.3 CSc1ccc(cc1)CF 62a_200000210301_100010268989 [1,0,0,0,0,0|2,0,0]=3 261 B10R1.3 CSc1ccc(cc1)CN 62a_100016989417_200000210301 [1,0,0,0,0,0|2,0,0]=3 262 B10R1.3 CSc1ccc(cc1)CN 62a_200000210301_100016989417 [1,0,0,0,0,0|2,0,0]=3 263 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,0,0,0,0,0|1,0,0]=2 264 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,0,0,0,0,0|1,0,0]=2 265 B10R1.3 CSc1ccc(cc1)NN 62a_100016988836_200000210301 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.3 CSc1ccc(cc1)NN 62a_200000210301_100016988836 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.3 CSc1ccc(cc1)N[13CH3] 34a_100000212337_200025704644 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.3 CSc1ccc(cc1)SC 62a_100011263217_200000210301 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.3 CSc1ccc(cc1)SC 62a_200000210301_100011263217 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_100011263217_200025704644 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_200025704644_100011263217 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.3 CSc1ccc(cn1)CN 62a_100000735879_200000210301 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.3 CSc1ccc(cn1)CN 62a_200000210301_100000735879 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.3 CSc1ccc(cn1)CO 62a_100009816760_200000210301 [1,0,0,0,0,0|2,0,0]=3 276 B10R1.3 CSc1ccc(cn1)CO 62a_200000210301_100009816760 [1,0,0,0,0,0|2,0,0]=3 277 B10R1.3 CSc1ccc(nc1)CN 62a_100015188789_200000210301 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.3 CSc1ccc(nc1)CN 62a_200000210301_100015188789 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.3 CSc1ccc(nc1)CO 62a_100000754261_200000210301 [1,0,0,0,0,0|2,0,0]=3 280 B10R1.3 CSc1ccc(nc1)CO 62a_200000210301_100000754261 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.3 CSc1cnc(cn1)CO 62a_100012002382_200000210301 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.3 CSc1cnc(cn1)CO 62a_200000210301_100012002382 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.3 CSc1cnc(nc1)CO 62a_100009867226_200000210301 [1,0,0,0,0,0|3,0,0]=4 284 B10R1.3 CSc1cnc(nc1)CO 62a_200000210301_100009867226 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.3 CSc1ncc(cn1)CO 62a_100009855073_200000210301 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.3 CSc1ncc(cn1)CO 62a_200000210301_100009855073 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.3 [13CH3]Nc1ccc(cc1)C#N 34a_100000185469_200025704644 [1,0,0,0,0,0|2,0,1]=4 288 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,0,0,0,0,0|1,0,0]=2 289 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,0,0,0,0,0|1,0,0]=2 290 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [1,0,0,0,0,0|2,0,1]=4 291 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [1,0,0,0,0,0|2,0,1]=4 292 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [1,0,0,0,0,0|2,0,0]=3 293 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,0,0,0,0,0|1,0,0]=2 294 B10R1.3 [13CH3]Oc1ccc(cn1)CN 34a_100000757128_200025704644 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.3 [13CH3]Oc1ccc(nc1)CN 34a_100020605196_200025704644 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [1,0,0,0,0,0|2,0,0]=3 297 B10R1.3 [13CH3]Sc1ccc(cc1)C#N 62a_200025704644_100000184291 [1,0,0,0,0,0|2,0,1]=4 298 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,0,0,0,0,0|1,0,2]=4 299 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,0,0,0,0,0|1,0,2]=4 300 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_100010268989_200025704644 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_200025704644_100010268989 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_100016989417_200025704644 [1,0,0,0,0,0|2,0,0]=3 303 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_200025704644_100016989417 [1,0,0,0,0,0|2,0,0]=3 304 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,0,0,0,0,0|1,0,0]=2 305 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,0,0,0,0,0|1,0,0]=2 306 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_100016988836_200025704644 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_200025704644_100016988836 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_100000735879_200025704644 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_200025704644_100000735879 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_100009816760_200025704644 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_200025704644_100009816760 [1,0,0,0,0,0|2,0,0]=3 312 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_100015188789_200025704644 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_200025704644_100015188789 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_100000754261_200025704644 [1,0,0,0,0,0|2,0,0]=3 315 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_200025704644_100000754261 [1,0,0,0,0,0|2,0,0]=3 316 B10R1.3 [13CH3]Sc1cnc(cn1)CO 62a_100012002382_200025704644 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.3 [13CH3]Sc1cnc(cn1)CO 62a_200025704644_100012002382 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.3 [13CH3]Sc1cnc(nc1)CO 62a_100009867226_200025704644 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.3 [13CH3]Sc1cnc(nc1)CO 62a_200025704644_100009867226 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.3 [13CH3]Sc1ncc(cn1)CO 62a_100009855073_200025704644 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.3 [13CH3]Sc1ncc(cn1)CO 62a_200025704644_100009855073 [1,0,0,0,0,0|3,0,0]=4 322 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,0,0,0,0,0|1,0,2]=4 323 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,0,0,0,0,0|0,0,2]=3 324 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,0,0,0,0,0|1,0,2]=4 325 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,0,0,0,0,0|1,0,2]=4 326 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,0,0,0,0,0|1,0,2]=4 327 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,0,0|0,0,2]=3 328 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,0,0|0,0,2]=3 329 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,0,0,0,0,0|1,0,2]=4 330 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,0,0,0,0,0|1,0,2]=4 331 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,0,0,0,0,0|1,0,2]=4 332 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,0,0|2,0,1]=4 333 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,0,0|1,0,1]=3 334 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,0,0|2,0,1]=4 335 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,0,0|2,0,1]=4 336 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,0,0|2,0,1]=4 337 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,0,0|1,0,1]=3 338 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,0,0|1,0,1]=3 339 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,0,0|2,0,1]=4 340 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,0,0|2,0,1]=4 341 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,0,0,0,0,0|0,0,0]=1 342 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [1,0,0,0,0,0|1,0,0]=2 343 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [1,0,0,0,0,0|1,0,0]=2 344 B10R1.13 CC(C)c1cnc(nc1)O 271570a_203496583355_100000102307 [1,0,0,0,0,0|2,0,0]=3 345 B10R1.13 CC(C)c1ncc(cn1)O 271570a_203496583355_200009814916 [1,0,0,0,0,0|2,0,0]=3 346 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [1,0,0,0,0,0|2,0,0]=3 347 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,0,0|1,0,0]=2 348 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,0,0,0,0,0|2,0,0]=3 349 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,0,0,0,0,0|2,0,0]=3 350 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [1,0,0,0,0,0|2,0,0]=3 351 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [1,0,0,0,0,0|2,0,0]=3 352 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [1,0,0,0,0,0|2,0,0]=3 353 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [1,0,0,0,0,0|2,0,0]=3 354 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [1,0,0,0,0,0|2,0,0]=3 355 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [1,0,0,0,0,0|2,0,0]=3 356 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [1,0,0,0,0,0|2,0,0]=3 357 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [1,0,0,0,0,0|2,0,0]=3 358 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [1,0,0,0,0,0|2,0,0]=3 359 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [1,0,0,0,0,0|2,0,0]=3 360 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [1,0,0,0,0,0|2,0,0]=3 361 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [1,0,0,0,0,0|2,0,0]=3 362 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,0,0,0,0,0|1,0,0]=2 363 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,0,0,0,0,0|1,0,0]=2 364 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,0,0,0,0,0|1,0,0]=2 365 B10R1.13 CN(C)c1ccc(cn1)Br 27a_100102631434_100000686858 [1,0,0,0,0,0|3,0,0]=4 366 B10R1.13 CN(C)c1ccc(cn1)O 271570a_203496583355_100011465347 [1,0,0,0,0,0|2,0,0]=3 367 B10R1.13 CN(C)c1ccc(nc1)O 271570a_203496583355_100009992925 [1,0,0,0,0,0|2,0,0]=3 368 B10R1.13 CN(C)c1ccc(nn1)O 271570a_203496583355_100000215273 [1,0,0,0,0,0|3,0,0]=4 369 B10R1.13 CN(C)c1cnc(cn1)O 271570a_203496583355_100012356732 [1,0,0,0,0,0|3,0,0]=4 370 B10R1.13 CN(C)c1ncc(cn1)O 271570a_203496583355_100011934759 [1,0,0,0,0,0|3,0,0]=4 371 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [1,0,0,0,0,0|2,0,0]=3 372 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [1,0,0,0,0,0|2,0,0]=3 373 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [1,0,0,0,0,0|2,0,0]=3 374 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [1,0,0,0,0,0|2,0,0]=3 375 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [1,0,0,0,0,0|2,0,0]=3 376 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [1,0,0,0,0,0|2,0,0]=3 377 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [1,0,0,0,0,0|2,0,0]=3 378 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [1,0,0,0,0,0|2,0,0]=3 379 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [1,0,0,0,0,0|2,0,0]=3 380 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [1,0,0,0,0,0|2,0,0]=3 381 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [1,0,0,0,0,0|2,0,0]=3 382 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [1,0,0,0,0,0|2,0,0]=3 383 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,0,0,0,0,0|1,0,0]=2 384 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,0,0,0,0,0|1,0,0]=2 385 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,0,0|2,0,0]=3 386 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,0,0,0,0,0|1,0,0]=2 387 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,0,0,0,0,0|1,0,0]=2 388 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [1,0,0,0,0,0|2,0,0]=3 389 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,0,0|1,0,1]=3 390 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,0,0,0,0,0|1,0,0]=2 391 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,0,0,0,0,0|1,0,0]=2 392 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,0,0,0,0,0|1,0,0]=2 393 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,0,0,0,0,0|1,0,0]=2 394 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,0,0,0,0,0|1,0,0]=2 395 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,0,0,0,0,0|1,0,0]=2 396 B10R1.13 Cc1ccc(nn1)N(C)C 27a_100102631434_100000744512 [1,0,0,0,0,0|3,0,0]=4 397 B10R1.13 Cc1cnc(cn1)N(C)C 27a_100102631434_100000074397 [1,0,0,0,0,0|3,0,0]=4 398 B10R1.13 Cc1cnc(nc1)N(C)C 27a_100102631434_100000061069 [1,0,0,0,0,0|3,0,0]=4 399 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,0,0|2,0,1]=4 400 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,0,0,0,0,0|3,0,0]=4 401 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,0,0,0,0,0|2,0,0]=3 402 B10R1.13 Oc1ccc(cn1)C(F)F 271570a_203496583355_100000720607 [1,0,0,0,0,0|3,0,0]=4 403 B10R1.13 Oc1ccc(nc1)C(F)F 271570a_203496583355_100010253924 [1,0,0,0,0,0|3,0,0]=4 404 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,0,0|2,0,1]=4 405 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,0,0|2,0,1]=4 406 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,0,0|2,0,1]=4 407 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,0,0|2,0,1]=4 408 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,0,0|1,0,1]=3 409 B12R1.5 C=Cc1ccc(cc1)C(C)C#N 271570a_100011290941_100000695319 [0,1,0,0,0,0|1,0,2]=4 410 B12R1.5 C=Cc1ccc(cc1)C(C)CC 271570a_100011290941_100011221364 [0,1,0,0,0,0|1,0,1]=3 411 B12R1.5 C=Cc1ccc(cc1)C(C)NC 2230a_200012023546_200000210301 [0,1,0,0,0,0|1,0,1]=3 412 B12R1.5 C=Cc1ccc(cc1)C(C)NC 271570a_100011290941_100000231103 [0,1,0,0,0,0|1,0,1]=3 413 B12R1.5 C=Cc1ccc(cc1)C(C)NC 34a_200012023546_200000210301 [0,1,0,0,0,0|1,0,1]=3 414 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 2230a_200012023546_200025704644 [0,1,0,0,0,0|1,0,1]=3 415 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 34a_200012023546_200025704644 [0,1,0,0,0,0|1,0,1]=3 416 B12R1.5 C=Cc1ccc(cc1)C(C)OC 271570a_100011290941_100010254937 [0,1,0,0,0,0|1,0,1]=3 417 B12R1.5 C=Cc1ccc(cc1)C(N)CO 271570a_100011290941_100000734186 [0,1,0,0,0,0|2,0,1]=4 418 B12R1.5 C=Cc1ccc(cc1)C(O)CC 271570a_100011290941_100000246506 [0,1,0,0,0,0|2,0,1]=4 419 B12R1.5 C=Cc1ccc(cc1)C(O)CN 271570a_100011290941_100020626992 [0,1,0,0,0,0|2,0,1]=4 420 B12R1.5 C=Cc1ccc(cc1)C(O)CO 271570a_100011290941_200012355997 [0,1,0,0,0,0|2,0,1]=4 421 B12R1.5 C=Cc1ccc(cc1)[C@@H](N)CC 271570a_100011290941_100025736560 [0,1,0,0,0,0|2,0,1]=4 422 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 34a_100000069498_200025704644 [0,1,0,0,0,0|2,0,1]=4 423 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 7a_100000069498_200025704644 [0,1,0,0,0,0|2,0,1]=4 424 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_100000695319_200025704644 [0,1,0,0,0,0|2,0,1]=4 425 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000695319 [0,1,0,0,0,0|2,0,1]=4 426 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.5 CC(O[13CH3])c1ccc(cc1)CN 34a_200000048501_200025704644 [0,1,0,0,0,0|1,0,0]=2 428 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,1,0,0,0,0|2,0,1]=4 429 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,1,0,0,0,0|1,0,1]=3 430 B12R1.5 CCC(C)c1ccc(cc1)NC 2230a_100000211316_200000210301 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.5 CCC(C)c1ccc(cc1)NC 34a_100000211316_200000210301 [0,1,0,0,0,0|2,0,0]=3 432 B12R1.5 CCC(C)c1ccc(cc1)NC 7a_100000211316_200000210301 [0,1,0,0,0,0|2,0,0]=3 433 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 2230a_100000211316_200025704644 [0,1,0,0,0,0|2,0,0]=3 434 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 34a_100000211316_200025704644 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 7a_100000211316_200025704644 [0,1,0,0,0,0|2,0,0]=3 436 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [0,1,0,0,0,0|2,0,0]=3 437 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [0,1,0,0,0,0|2,0,0]=3 438 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [0,1,0,0,0,0|2,0,0]=3 439 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [0,1,0,0,0,0|2,0,0]=3 440 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_100011221364_200000210301 [0,1,0,0,0,0|2,0,0]=3 441 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_200000210301_100011221364 [0,1,0,0,0,0|2,0,0]=3 442 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_100011221364_200025704644 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011221364 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [0,1,0,0,0,0|3,0,0]=4 447 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.5 CCN(C)c1ccc(cc1)C#N 269982a_100000218877_200000210301 [0,1,0,0,0,0|2,0,1]=4 451 B12R1.5 CCN(C)c1ccc(cc1)C#N 269982a_100000739737_100000204670 [0,1,0,0,0,0|2,0,1]=4 452 B12R1.5 CCN(C)c1ccc(cc1)C#N 34a_100000218877_200000210301 [0,1,0,0,0,0|2,0,1]=4 453 B12R1.5 CCN(C)c1ccc(cc1)C#N 34a_100000739737_100000210202 [0,1,0,0,0,0|2,0,1]=4 454 B12R1.5 CCN(C)c1ccc(cc1)C#N 7a_100000218877_200000210301 [0,1,0,0,0,0|2,0,1]=4 455 B12R1.5 CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210202 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.5 CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000204670 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.5 CCN(C)c1ccc(cc1)OC 34a_100000220023_100000210202 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.5 CCN([13CH3])c1ccc(cc1)C#N 269982a_100000218877_200025704644 [0,1,0,0,0,0|2,0,1]=4 459 B12R1.5 CCN([13CH3])c1ccc(cc1)C#N 34a_100000218877_200025704644 [0,1,0,0,0,0|2,0,1]=4 460 B12R1.5 CCN([13CH3])c1ccc(cc1)C#N 7a_100000218877_200025704644 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_100025736560_200000210301 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_200000210301_100025736560 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_100025736560_200025704644 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100025736560 [0,1,0,0,0,0|3,0,0]=4 465 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [0,1,0,0,0,0|2,0,1]=4 466 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,1,0,0,0,0|2,0,1]=4 467 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,1,0,0,0,0|2,0,1]=4 468 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,1,0,0,0,0|2,0,1]=4 469 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,1,0,0,0,0|2,0,1]=4 470 B12R1.5 CCc1ccc(cc1)C(C)NC 2230a_100015186439_200000210301 [0,1,0,0,0,0|1,0,0]=2 471 B12R1.5 CCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211630 [0,1,0,0,0,0|1,0,0]=2 472 B12R1.5 CCc1ccc(cc1)C(C)NC 34a_100015186439_200000210301 [0,1,0,0,0,0|1,0,0]=2 473 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 2230a_100015186439_200025704644 [0,1,0,0,0,0|1,0,0]=2 474 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 34a_100015186439_200025704644 [0,1,0,0,0,0|1,0,0]=2 475 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [0,1,0,0,0,0|1,0,0]=2 476 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [0,1,0,0,0,0|1,0,0]=2 477 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [0,1,0,0,0,0|1,0,0]=2 478 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [0,1,0,0,0,0|1,0,0]=2 479 B12R1.5 CCc1ncc(cn1)C(C)NC 269862a_106832991636_200010896857 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.5 CN(CF)c1ccc(cc1)C#N 269982a_100000739737_100015361967 [0,1,0,0,0,0|2,0,1]=4 481 B12R1.5 CN(CF)c1ccc(cc1)C#N 34a_100000739737_100015361967 [0,1,0,0,0,0|2,0,1]=4 482 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,1,0,0,0,0|1,0,1]=3 483 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,1,0,0,0,0|1,0,1]=3 484 B12R1.5 CNC(C)c1ccc(cc1)C#N 269862a_106832991636_100000182420 [0,1,0,0,0,0|1,0,1]=3 485 B12R1.5 CNC(C)c1ccc(cc1)CO 269862a_106832991636_100000082505 [0,1,0,0,0,0|0,0,0]=1 486 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,1,0,0,0,0|2,0,0]=3 487 B12R1.5 CNC(C)c1ccc(cc1)SC 2230a_100000738722_200000210301 [0,1,0,0,0,0|2,0,0]=3 488 B12R1.5 CNC(C)c1ccc(cc1)SC 269862a_106832991636_100000185071 [0,1,0,0,0,0|2,0,0]=3 489 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_100000231103_200000210301 [0,1,0,0,0,0|2,0,0]=3 490 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_200000210301_100000231103 [0,1,0,0,0,0|2,0,0]=3 491 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_100000231103_200025704644 [0,1,0,0,0,0|2,0,0]=3 492 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231103 [0,1,0,0,0,0|2,0,0]=3 493 B12R1.5 CNC(C)c1ccc(nc1)OC 269862a_106832991636_100011934396 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 2230a_100016991473_200000210301 [0,1,0,0,0,0|1,0,1]=3 495 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 34a_100016991473_200000210301 [0,1,0,0,0,0|1,0,1]=3 496 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,1,0,0,0,0|2,0,0]=3 497 B12R1.5 CNc1ccc(cc1)C(C)C#N 34a_100000069498_200000210301 [0,1,0,0,0,0|2,0,1]=4 498 B12R1.5 CNc1ccc(cc1)C(C)C#N 7a_100000069498_200000210301 [0,1,0,0,0,0|2,0,1]=4 499 B12R1.5 CNc1ccc(cc1)C(C)NC 269862a_106832991636_100011806243 [0,1,0,0,0,0|2,0,0]=3 500 B12R1.5 COC(C)c1ccc(cc1)CN 34a_200000048501_200000210301 [0,1,0,0,0,0|1,0,0]=2 501 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,1,0,0,0,0|2,0,0]=3 502 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,1,0,0,0,0|2,0,0]=3 503 B12R1.5 COC(C)c1ccc(cc1)SC 62a_100010254937_200000210301 [0,1,0,0,0,0|2,0,0]=3 504 B12R1.5 COC(C)c1ccc(cc1)SC 62a_200000210301_100010254937 [0,1,0,0,0,0|2,0,0]=3 505 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_100010254937_200025704644 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100010254937 [0,1,0,0,0,0|2,0,0]=3 507 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_200000210301 [0,1,0,0,0,0|1,0,1]=3 508 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_200000210301 [0,1,0,0,0,0|1,0,1]=3 509 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,1,0,0,0,0|2,0,0]=3 512 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,1,0,0,0,0|2,0,0]=3 513 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,1,0,0,0,0|2,0,0]=3 514 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,1,0,0,0,0|2,0,0]=3 515 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.5 COc1ccc(cc1)N(C)CF 269982a_100000220023_100015361967 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.5 COc1ccc(cc1)N(C)CF 34a_100000220023_100015361967 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,1,0,0,0,0|2,0,0]=3 520 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_100000695319_200000210301 [0,1,0,0,0,0|2,0,1]=4 521 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_200000210301_100000695319 [0,1,0,0,0,0|2,0,1]=4 522 B12R1.5 CSc1ccc(cc1)C(C)N[13CH3] 2230a_100000738722_200025704644 [0,1,0,0,0,0|2,0,0]=3 523 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_100000734186_200000210301 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_200000210301_100000734186 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_100020626992_200000210301 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_200000210301_100020626992 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200000210301_200012355997 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200012355997_200000210301 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 2230a_100016991473_200025704644 [0,1,0,0,0,0|1,0,1]=3 530 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 34a_100016991473_200025704644 [0,1,0,0,0,0|1,0,1]=3 531 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 34a_100011852132_200025704644 [0,1,0,0,0,0|1,0,1]=3 532 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 7a_100011852132_200025704644 [0,1,0,0,0,0|1,0,1]=3 533 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [0,1,0,0,0,0|1,0,1]=3 534 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_100000734186_200025704644 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_200025704644_100000734186 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_100020626992_200025704644 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_200025704644_100020626992 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200012355997_200025704644 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200025704644_200012355997 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.6 C=Cc1ccc(cc1)C(C)(C)C 271570a_100011290941_100011215385 [0,1,0,0,0,0|1,0,1]=3 542 B12R1.6 C=Cc1ccc(cc1)C(C)(C)N 271570a_100011290941_100000739617 [0,1,0,0,0,0|1,0,1]=3 543 B12R1.6 C=Cc1ccc(cc1)C(C)(C)O 271570a_100011290941_100000753367 [0,1,0,0,0,0|1,0,1]=3 544 B12R1.6 C=Cc1ccc(cc1)C(C)(F)F 271570a_100011290941_100009817129 [0,1,0,0,0,0|2,0,1]=4 545 B12R1.6 C=Cc1ccc(cc1)[Si](C)(C)C 271570a_100011290941_100009813420 [0,1,0,0,0,0|1,1,1]=4 546 B12R1.6 C=Cc1ccc(cn1)C(C)(C)C 271570a_100011290941_100000686854 [0,1,0,0,0,0|2,0,1]=4 547 B12R1.6 C=Cc1ccc(cn1)C(C)(C)O 271570a_100011290941_100010080785 [0,1,0,0,0,0|2,0,1]=4 548 B12R1.6 C=Cc1ccc(nc1)C(C)(C)C 271570a_100011290941_100010245212 [0,1,0,0,0,0|2,0,1]=4 549 B12R1.6 C=Cc1ccc(nc1)C(C)(C)O 271570a_100011290941_100010246419 [0,1,0,0,0,0|2,0,1]=4 550 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 2230a_100000210346_200025704644 [0,1,0,0,0,0|2,0,0]=3 551 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 34a_100000210346_200025704644 [0,1,0,0,0,0|2,0,0]=3 552 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 7a_100000210346_200025704644 [0,1,0,0,0,0|2,0,0]=3 553 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 34a_100000185729_200025704644 [0,1,0,0,0,0|2,0,0]=3 554 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000185729_200025704644 [0,1,0,0,0,0|2,0,0]=3 555 B12R1.6 CC(C)(C)c1ccc(cc1)S[13CH3] 62a_100011215385_200025704644 [0,1,0,0,0,0|2,0,0]=3 556 B12R1.6 CC(C)(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011215385 [0,1,0,0,0,0|2,0,0]=3 557 B12R1.6 CC(C)(C)c1ccc(cn1)S[13CH3] 62a_100010245212_200025704644 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.6 CC(C)(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010245212 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.6 CC(C)(C)c1ccc(nc1)S[13CH3] 62a_100000686854_200025704644 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.6 CC(C)(C)c1ccc(nc1)S[13CH3] 62a_200025704644_100000686854 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.6 CC(C)(N)c1ccc(cc1)S[13CH3] 62a_100000739617_200025704644 [0,1,0,0,0,0|2,0,0]=3 562 B12R1.6 CC(C)(N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000739617 [0,1,0,0,0,0|2,0,0]=3 563 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 34a_100000695648_200025704644 [0,1,0,0,0,0|2,0,0]=3 564 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 7a_100000695648_200025704644 [0,1,0,0,0,0|2,0,0]=3 565 B12R1.6 CC(C)(O)c1ccc(cc1)S[13CH3] 62a_100000753367_200025704644 [0,1,0,0,0,0|2,0,0]=3 566 B12R1.6 CC(C)(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753367 [0,1,0,0,0,0|2,0,0]=3 567 B12R1.6 CC(C)(O)c1ccc(cn1)S[13CH3] 62a_100010246419_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.6 CC(C)(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100010246419 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.6 CC(C)(O)c1ccc(nc1)S[13CH3] 62a_100010080785_200025704644 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.6 CC(C)(O)c1ccc(nc1)S[13CH3] 62a_200025704644_100010080785 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.6 CC(F)(F)c1ccc(cc1)S[13CH3] 62a_100009817129_200025704644 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.6 CC(F)(F)c1ccc(cc1)S[13CH3] 62a_200025704644_100009817129 [0,1,0,0,0,0|3,0,0]=4 573 B12R1.6 CNc1ccc(cc1)C(C)(C)C 2230a_100000210346_200000210301 [0,1,0,0,0,0|2,0,0]=3 574 B12R1.6 CNc1ccc(cc1)C(C)(C)C 34a_100000210346_200000210301 [0,1,0,0,0,0|2,0,0]=3 575 B12R1.6 CNc1ccc(cc1)C(C)(C)C 7a_100000210346_200000210301 [0,1,0,0,0,0|2,0,0]=3 576 B12R1.6 CNc1ccc(cc1)[Si](C)(C)C 7a_100009954384_200000210301 [0,1,0,0,0,0|2,1,0]=4 577 B12R1.6 COc1ccc(cc1)C(C)(C)C 34a_100000185729_200000210301 [0,1,0,0,0,0|2,0,0]=3 578 B12R1.6 COc1ccc(cc1)C(C)(C)C 7a_100000185729_200000210301 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.6 COc1ccc(cc1)C(C)(C)O 34a_100000695648_200000210301 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.6 COc1ccc(cc1)C(C)(C)O 7a_100000695648_200000210301 [0,1,0,0,0,0|2,0,0]=3 581 B12R1.6 CSc1ccc(cc1)C(C)(C)C 62a_100011215385_200000210301 [0,1,0,0,0,0|2,0,0]=3 582 B12R1.6 CSc1ccc(cc1)C(C)(C)C 62a_200000210301_100011215385 [0,1,0,0,0,0|2,0,0]=3 583 B12R1.6 CSc1ccc(cc1)C(C)(C)N 62a_100000739617_200000210301 [0,1,0,0,0,0|2,0,0]=3 584 B12R1.6 CSc1ccc(cc1)C(C)(C)N 62a_200000210301_100000739617 [0,1,0,0,0,0|2,0,0]=3 585 B12R1.6 CSc1ccc(cc1)C(C)(C)O 62a_100000753367_200000210301 [0,1,0,0,0,0|2,0,0]=3 586 B12R1.6 CSc1ccc(cc1)C(C)(C)O 62a_200000210301_100000753367 [0,1,0,0,0,0|2,0,0]=3 587 B12R1.6 CSc1ccc(cc1)C(C)(F)F 62a_100009817129_200000210301 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.6 CSc1ccc(cc1)C(C)(F)F 62a_200000210301_100009817129 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.6 CSc1ccc(cc1)[Si](C)(C)C 62a_100009813420_200000210301 [0,1,0,0,0,0|2,1,0]=4 590 B12R1.6 CSc1ccc(cc1)[Si](C)(C)C 62a_200000210301_100009813420 [0,1,0,0,0,0|2,1,0]=4 591 B12R1.6 CSc1ccc(cn1)C(C)(C)C 62a_100000686854_200000210301 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.6 CSc1ccc(cn1)C(C)(C)C 62a_200000210301_100000686854 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.6 CSc1ccc(cn1)C(C)(C)O 62a_100010080785_200000210301 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.6 CSc1ccc(cn1)C(C)(C)O 62a_200000210301_100010080785 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.6 CSc1ccc(nc1)C(C)(C)C 62a_100010245212_200000210301 [0,1,0,0,0,0|3,0,0]=4 596 B12R1.6 CSc1ccc(nc1)C(C)(C)C 62a_200000210301_100010245212 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.6 CSc1ccc(nc1)C(C)(C)O 62a_100010246419_200000210301 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.6 CSc1ccc(nc1)C(C)(C)O 62a_200000210301_100010246419 [0,1,0,0,0,0|3,0,0]=4 599 B12R1.6 C[Si](C)(C)c1ccc(cc1)N[13CH3] 7a_100009954384_200025704644 [0,1,0,0,0,0|2,1,0]=4 600 B12R1.6 C[Si](C)(C)c1ccc(cc1)S[13CH3] 62a_100009813420_200025704644 [0,1,0,0,0,0|2,1,0]=4 601 B12R1.6 C[Si](C)(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100009813420 [0,1,0,0,0,0|2,1,0]=4 602 B12R1.48 C=C(C)c1cc(c(cn1)CO)C 271570a_100000694244_100010277336 [0,1,0,0,0,0|1,0,2]=4 603 B12R1.48 C=C(C)c1cc(c(cn1)CO)N 271570a_100000694244_100009830438 [0,1,0,0,0,0|1,0,2]=4 604 B12R1.48 C=C(C)c1ccc(c(c1)Br)CO 271570a_100000694244_100010240206 [0,1,0,0,0,0|0,0,2]=3 605 B12R1.48 C=C(C)c1ccc(c(c1)C)CF 271570a_100000694244_200010711859 [0,1,0,0,0,0|1,0,2]=4 606 B12R1.48 C=C(C)c1ccc(c(c1)C)CN 271570a_100000694244_100000753881 [0,1,0,0,0,0|1,0,2]=4 607 B12R1.48 C=C(C)c1ccc(c(c1)C)CO 271570a_100000694244_100000748258 [0,1,0,0,0,0|0,0,2]=3 608 B12R1.48 C=C(C)c1ccc(c(c1)F)CC 271570a_100000694244_200010071577 [0,1,0,0,0,0|1,0,2]=4 609 B12R1.48 C=C(C)c1ccc(c(c1)F)CN 271570a_100000694244_100000754580 [0,1,0,0,0,0|1,0,2]=4 610 B12R1.48 C=C(C)c1ccc(c(c1)F)CO 271570a_100000694244_100011191541 [0,1,0,0,0,0|0,0,2]=3 611 B12R1.48 C=C(C)c1ccc(c(c1)N)CC 271570a_100000694244_100012354963 [0,1,0,0,0,0|1,0,2]=4 612 B12R1.48 C=C(C)c1ccc(c(c1)N)CO 271570a_100000694244_100000718831 [0,1,0,0,0,0|0,0,2]=3 613 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [0,1,0,0,0,0|0,0,2]=3 614 B12R1.48 C=C(C)c1ccc(c(n1)F)CO 271570a_100000694244_100009870654 [0,1,0,0,0,0|1,0,2]=4 615 B12R1.48 C=C(C)c1cnc(c(c1)C)CO 271570a_100000694244_100010116297 [0,1,0,0,0,0|1,0,2]=4 616 B12R1.48 C=C(C)c1cnc(c(c1)F)CO 271570a_100000694244_100010065252 [0,1,0,0,0,0|1,0,2]=4 617 B12R1.48 C=Cc1ccc(cc1Br)C(C)C 271570a_100011290941_200010212211 [0,1,0,0,0,0|1,0,1]=3 618 B12R1.48 C=Cc1ccc(cc1C)N(C)C 271570a_100011290941_100011934168 [0,1,0,0,0,0|2,0,1]=4 619 B12R1.48 C=Cc1ccc(cc1F)[C@H](C)N 271570a_100011290941_100134618348 [0,1,0,0,0,0|2,0,1]=4 620 B12R1.48 C=Cc1cnc(cc1C)C(C)C 271570a_100011290941_100021475462 [0,1,0,0,0,0|2,0,1]=4 621 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,1,0,0,0,0|1,0,1]=3 622 B12R1.48 CC(C)c1ccc(c(c1)Br)N[13CH3] 2230a_100011218581_200025704644 [0,1,0,0,0,0|2,0,0]=3 623 B12R1.48 CC(C)c1ccc(c(c1)Br)N[13CH3] 34a_100011218581_200025704644 [0,1,0,0,0,0|2,0,0]=3 624 B12R1.48 CC(C)c1ccc(c(c1)Br)N[13CH3] 7a_100011218581_200025704644 [0,1,0,0,0,0|2,0,0]=3 625 B12R1.48 CC(C)c1ccc(c(c1)Br)S[13CH3] 62a_200010212211_200025704644 [0,1,0,0,0,0|2,0,0]=3 626 B12R1.48 CC(C)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_200010212211 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 34a_100012182850_200025704644 [0,1,0,0,0,0|2,0,0]=3 628 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 7a_100012182850_200025704644 [0,1,0,0,0,0|2,0,0]=3 629 B12R1.48 CC(C)c1ccc(c(c1)I)N[13CH3] 34a_100012355998_200025704644 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.48 CC(C)c1ccc(c(c1)I)N[13CH3] 7a_100012355998_200025704644 [0,1,0,0,0,0|2,0,0]=3 631 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 34a_200000187366_200025704644 [0,1,0,0,0,0|2,0,0]=3 632 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 7a_200000187366_200025704644 [0,1,0,0,0,0|2,0,0]=3 633 B12R1.48 CC(C)c1ccc(c(c1)O)C=O 271570a_203496583355_100010158967 [0,1,0,0,0,0|0,0,2]=3 634 B12R1.48 CC(C)c1ccc(c(n1)O)C#N 271570a_203496583355_100011519548 [0,1,0,0,0,0|2,0,1]=4 635 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [0,1,0,0,0,0|2,0,1]=4 636 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [0,1,0,0,0,0|2,0,1]=4 637 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,1,0,0,0,0|2,0,1]=4 638 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,1,0,0,0,0|2,0,1]=4 639 B12R1.48 CN(C)c1ccc(c(c1)Br)C#N 27a_100102631434_100012349582 [0,1,0,0,0,0|2,0,1]=4 640 B12R1.48 CN(C)c1ccc(c(c1)Br)N[13CH3] 34a_200013039233_200025704644 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.48 CN(C)c1ccc(c(c1)F)C#N 27a_100102631434_100000037869 [0,1,0,0,0,0|2,0,1]=4 642 B12R1.48 CN(C)c1ccc(c(n1)F)CO 27a_100102631434_100010065253 [0,1,0,0,0,0|2,0,0]=3 643 B12R1.48 CN(C)c1ncc(c(n1)N)CO 27a_100102631434_200009965464 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.48 CNc1ccc(cc1Br)C(C)C 2230a_100011218581_200000210301 [0,1,0,0,0,0|2,0,0]=3 645 B12R1.48 CNc1ccc(cc1Br)C(C)C 34a_100011218581_200000210301 [0,1,0,0,0,0|2,0,0]=3 646 B12R1.48 CNc1ccc(cc1Br)C(C)C 7a_100011218581_200000210301 [0,1,0,0,0,0|2,0,0]=3 647 B12R1.48 CNc1ccc(cc1Br)N(C)C 34a_200013039233_200000210301 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.48 CNc1ccc(cc1C)N(C)C 34a_100000246174_200000210301 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.48 CNc1ccc(cc1I)C(C)C 34a_100012355998_200000210301 [0,1,0,0,0,0|2,0,0]=3 650 B12R1.48 CNc1ccc(cc1I)C(C)C 7a_100012355998_200000210301 [0,1,0,0,0,0|2,0,0]=3 651 B12R1.48 CNc1cnc(cc1C)C(C)C 27a_100102657272_100021475462 [0,1,0,0,0,0|3,0,0]=4 652 B12R1.48 COc1ccc(cc1C)C(C)C 34a_200012180908_200000210301 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.48 COc1ccc(cc1C)C(C)C 7a_200012180908_200000210301 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.48 COc1ccc(cc1Cl)C(C)C 34a_100012182850_200000210301 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.48 COc1ccc(cc1Cl)C(C)C 7a_100012182850_200000210301 [0,1,0,0,0,0|2,0,0]=3 656 B12R1.48 COc1ccc(cc1I)N(C)C 269982a_114948341033_200000210301 [0,1,0,0,0,0|3,0,0]=4 657 B12R1.48 COc1ccc(cc1I)N(C)C 34a_114948341033_200000210301 [0,1,0,0,0,0|3,0,0]=4 658 B12R1.48 COc1ccc(cc1I)N(C)C 38a_114948341033_200000210301 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 269982a_114948341033_200025704644 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 34a_114948341033_200025704644 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 38a_114948341033_200025704644 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.48 COc1ccc(cc1N)C(C)C 34a_200000187366_200000210301 [0,1,0,0,0,0|2,0,0]=3 663 B12R1.48 COc1ccc(cc1N)C(C)C 7a_200000187366_200000210301 [0,1,0,0,0,0|2,0,0]=3 664 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.48 CSc1ccc(cc1Br)C(C)C 62a_200000210301_200010212211 [0,1,0,0,0,0|2,0,0]=3 666 B12R1.48 CSc1ccc(cc1Br)C(C)C 62a_200010212211_200000210301 [0,1,0,0,0,0|2,0,0]=3 667 B12R1.48 CSc1ccc(cc1C)N(C)C 62a_100011934168_200000210301 [0,1,0,0,0,0|3,0,0]=4 668 B12R1.48 CSc1ccc(cc1C)N(C)C 62a_200000210301_100011934168 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.48 CSc1ccc(cc1F)[C@H](C)N 62a_100134618348_200000210301 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.48 CSc1ccc(cc1F)[C@H](C)N 62a_200000210301_100134618348 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.48 CSc1cnc(cc1C)C(C)C 62a_100021475462_200000210301 [0,1,0,0,0,0|3,0,0]=4 672 B12R1.48 CSc1cnc(cc1C)C(C)C 62a_200000210301_100021475462 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.48 C[C@H](N)c1ccc(c(c1)F)S[13CH3] 62a_100134618348_200025704644 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.48 C[C@H](N)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100134618348 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.48 Cc1cc(ccc1N[13CH3])N(C)C 34a_100000246174_200025704644 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 34a_200012180908_200025704644 [0,1,0,0,0,0|2,0,0]=3 677 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 7a_200012180908_200025704644 [0,1,0,0,0,0|2,0,0]=3 678 B12R1.48 Cc1cc(ccc1S[13CH3])N(C)C 62a_100011934168_200025704644 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.48 Cc1cc(ccc1S[13CH3])N(C)C 62a_200025704644_100011934168 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.48 Cc1cc(ncc1S[13CH3])C(C)C 62a_100021475462_200025704644 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.48 Cc1cc(ncc1S[13CH3])C(C)C 62a_200025704644_100021475462 [0,1,0,0,0,0|3,0,0]=4 682 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,1,0,0,0,0|1,0,1]=3 683 B12R1.113 C=C(C)c1ccc(cc1)CC#N 271570a_100000694244_100011217881 [0,1,0,0,0,0|1,0,2]=4 684 B12R1.113 C=C(C)c1ccc(cc1)CC=O 271570a_100000694244_100011361690 [0,1,0,0,0,0|0,0,3]=4 685 B12R1.113 C=C(C)c1ccc(cc1)CCC 271570a_100000694244_100000750032 [0,1,0,0,0,0|1,0,2]=4 686 B12R1.113 C=C(C)c1ccc(cc1)CCN 271570a_100000694244_100000755846 [0,1,0,0,0,0|1,0,2]=4 687 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [0,1,0,0,0,0|0,0,2]=3 688 B12R1.113 C=C(C)c1ccc(cc1)CNC 26a_100102657272_100009880102 [0,1,0,0,0,0|1,0,2]=4 689 B12R1.113 C=C(C)c1ccc(cc1)CNC 271570a_100000694244_100000180866 [0,1,0,0,0,0|1,0,2]=4 690 B12R1.113 C=C(C)c1ccc(cc1)CNN 271570a_100000694244_100016993955 [0,1,0,0,0,0|1,0,2]=4 691 B12R1.113 C=C(C)c1ccc(cc1)COC 271570a_100000694244_100011493685 [0,1,0,0,0,0|0,0,2]=3 692 B12R1.113 C=C(C)c1ccc(cc1)NCC 271570a_100000694244_100000219632 [0,1,0,0,0,0|1,0,2]=4 693 B12R1.113 C=C(C)c1ccc(cc1)OCC 271570a_100000694244_100000169946 [0,1,0,0,0,0|1,0,2]=4 694 B12R1.113 C=C(C)c1ccc(cc1)OCC 34a_100009880102_100000210202 [0,1,0,0,0,0|1,0,2]=4 695 B12R1.113 C=C(C)c1ccc(cc1)OCC 7a_100009880102_100000210202 [0,1,0,0,0,0|1,0,2]=4 696 B12R1.113 C=C(C)c1ccc(cc1)OCF 34a_100009880102_100015361967 [0,1,0,0,0,0|1,0,2]=4 697 B12R1.113 C=C(C)c1ccc(cc1)OCF 7a_100009880102_100015361967 [0,1,0,0,0,0|1,0,2]=4 698 B12R1.113 C=C(C)c1ccc(cc1)SCC 271570a_100000694244_200009811893 [0,1,0,0,0,0|1,0,2]=4 699 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000185454_100000210202 [0,1,0,0,0,0|1,0,2]=4 700 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000210202_100000185454 [0,1,0,0,0,0|1,0,2]=4 701 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100000185454_100015361967 [0,1,0,0,0,0|1,0,2]=4 702 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100015361967_100000185454 [0,1,0,0,0,0|1,0,2]=4 703 B12R1.113 C=C(C)c1ccc(cn1)CCO 271570a_100000694244_100009880866 [0,1,0,0,0,0|1,0,2]=4 704 B12R1.113 C=C(C)c1ccc(nc1)CCO 271570a_100000694244_100012357577 [0,1,0,0,0,0|1,0,2]=4 705 B12R1.113 C=C=Cc1ccc(cc1)C(C)C 271570a_100015277604_100000750031 [0,1,0,0,0,0|1,0,1]=3 706 B12R1.113 C=C=Cc1ccc(cc1)C(C)O 271570a_100015277604_100000745893 [0,1,0,0,0,0|2,0,1]=4 707 B12R1.113 C=C=Cc1ccc(cc1)N(C)C 271570a_100015277604_100000210421 [0,1,0,0,0,0|2,0,1]=4 708 B12R1.113 C=C=Cc1ccc(cc1)[C@@H](C)N 271570a_100015277604_100000720352 [0,1,0,0,0,0|2,0,1]=4 709 B12R1.113 C=C=Cc1ccc(cc1)[C@H](C)N 271570a_100015277604_100000753911 [0,1,0,0,0,0|2,0,1]=4 710 B12R1.113 C=C=Cc1ccc(cn1)C(C)C 271570a_100015277604_200009815286 [0,1,0,0,0,0|2,0,1]=4 711 B12R1.113 C=C=Cc1ccc(nc1)C(C)C 271570a_100015277604_100010255768 [0,1,0,0,0,0|2,0,1]=4 712 B12R1.113 CC(=O)c1ccc(cc1)CC#N 1458a_100000693995_200000210301 [0,1,0,0,0,0|2,0,1]=4 713 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [0,1,0,0,0,0|1,0,1]=3 714 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [0,1,0,0,0,0|1,0,1]=3 715 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_100000756337_200025704644 [0,1,0,0,0,0|1,1,1]=4 716 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000756337 [0,1,0,0,0,0|1,1,1]=4 717 B12R1.113 CC(=O)c1ccc(cc1)OCF 34a_100000185113_100015361967 [0,1,0,0,0,0|2,0,1]=4 718 B12R1.113 CC(=O)c1ccc(cc1)OCF 7a_100000185113_100015361967 [0,1,0,0,0,0|2,0,1]=4 719 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100000185465_100015361967 [0,1,0,0,0,0|2,0,1]=4 720 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000185465 [0,1,0,0,0,0|2,0,1]=4 721 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 2230a_100000174979_200025704644 [0,1,0,0,0,0|1,0,0]=2 722 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 34a_100000174979_200025704644 [0,1,0,0,0,0|1,0,0]=2 723 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 34a_100000181325_200025704644 [0,1,0,0,0,0|0,0,0]=1 724 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 7a_100000181325_200025704644 [0,1,0,0,0,0|0,0,0]=1 725 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_100000181262_200025704644 [0,1,0,0,0,0|0,1,0]=2 726 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000181262 [0,1,0,0,0,0|0,1,0]=2 727 B12R1.113 CC(C)c1ccc(cc1)NCF 34a_100000210773_100015361967 [0,1,0,0,0,0|1,0,0]=2 728 B12R1.113 CC(C)c1ccc(cc1)NCF 7a_100000210773_100015361967 [0,1,0,0,0,0|1,0,0]=2 729 B12R1.113 CC(C)c1ccc(cc1)OCF 34a_100000181308_100015361967 [0,1,0,0,0,0|1,0,0]=2 730 B12R1.113 CC(C)c1ccc(cc1)OCF 7a_100000181308_100015361967 [0,1,0,0,0,0|1,0,0]=2 731 B12R1.113 CC(C)c1ccc(cc1)SCF 62a_100000750031_100015361967 [0,1,0,0,0,0|1,0,0]=2 732 B12R1.113 CC(C)c1ccc(cc1)SCF 62a_100015361967_100000750031 [0,1,0,0,0,0|1,0,0]=2 733 B12R1.113 CC(C)c1ccc(cn1)SCF 62a_100010255768_100015361967 [0,1,0,0,0,0|2,0,0]=3 734 B12R1.113 CC(C)c1ccc(cn1)SCF 62a_100015361967_100010255768 [0,1,0,0,0,0|2,0,0]=3 735 B12R1.113 CC(C)c1ccc(nc1)SCF 62a_100015361967_200009815286 [0,1,0,0,0,0|2,0,0]=3 736 B12R1.113 CC(C)c1ccc(nc1)SCF 62a_200009815286_100015361967 [0,1,0,0,0,0|2,0,0]=3 737 B12R1.113 CC(C)c1cnc(nc1)SCF 62a_100000102307_100015361967 [0,1,0,0,0,0|3,0,0]=4 738 B12R1.113 CC(C)c1cnc(nc1)SCF 62a_100015361967_100000102307 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.113 CC(C)c1ncc(cn1)SCF 62a_100015361967_200009814916 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.113 CC(C)c1ncc(cn1)SCF 62a_200009814916_100015361967 [0,1,0,0,0,0|3,0,0]=4 741 B12R1.113 CC(N)c1ccc(cn1)SCF 62a_100000723930_100015361967 [0,1,0,0,0,0|3,0,0]=4 742 B12R1.113 CC(N)c1ccc(cn1)SCF 62a_100015361967_100000723930 [0,1,0,0,0,0|3,0,0]=4 743 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 2230a_200000048501_200025704644 [0,1,0,0,0,0|2,0,0]=3 744 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 34a_200000048501_200025704644 [0,1,0,0,0,0|2,0,0]=3 745 B12R1.113 CC(O)c1ccc(cc1)NCF 34a_100011216399_100015361967 [0,1,0,0,0,0|2,0,0]=3 746 B12R1.113 CC(O)c1ccc(cc1)OCF 34a_100000754508_100015361967 [0,1,0,0,0,0|2,0,0]=3 747 B12R1.113 CC(O)c1ccc(cc1)OCF 7a_100000754508_100015361967 [0,1,0,0,0,0|2,0,0]=3 748 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100000745893_100015361967 [0,1,0,0,0,0|2,0,0]=3 749 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100015361967_100000745893 [0,1,0,0,0,0|2,0,0]=3 750 B12R1.113 CC(O)c1ccc(cn1)SCF 62a_100012353650_100015361967 [0,1,0,0,0,0|3,0,0]=4 751 B12R1.113 CC(O)c1ccc(cn1)SCF 62a_100015361967_100012353650 [0,1,0,0,0,0|3,0,0]=4 752 B12R1.113 CC(O)c1ccc(nc1)SCF 62a_100015361967_200010274204 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.113 CC(O)c1ccc(nc1)SCF 62a_200010274204_100015361967 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.113 CC=Cc1ccc(cc1)C(C)C 271570a_100016259895_100000750031 [0,1,0,0,0,0|1,0,1]=3 755 B12R1.113 CC=Cc1ccc(cc1)C(C)O 271570a_100016259895_100000745893 [0,1,0,0,0,0|2,0,1]=4 756 B12R1.113 CC=Cc1ccc(cc1)N(C)C 271570a_100016259895_100000210421 [0,1,0,0,0,0|2,0,1]=4 757 B12R1.113 CC=Cc1ccc(cc1)[C@@H](C)N 271570a_100016259895_100000720352 [0,1,0,0,0,0|2,0,1]=4 758 B12R1.113 CC=Cc1ccc(cc1)[C@H](C)N 271570a_100016259895_100000753911 [0,1,0,0,0,0|2,0,1]=4 759 B12R1.113 CC=Cc1ccc(cn1)C(C)C 271570a_100016259895_200009815286 [0,1,0,0,0,0|2,0,1]=4 760 B12R1.113 CC=Cc1ccc(nc1)C(C)C 271570a_100016259895_100010255768 [0,1,0,0,0,0|2,0,1]=4 761 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [0,1,0,0,0,0|2,0,1]=4 762 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [0,1,0,0,0,0|2,0,1]=4 763 B12R1.113 CCNc1ccc(cc1)C(C)C 2230a_100000210773_100000210202 [0,1,0,0,0,0|1,0,0]=2 764 B12R1.113 CCNc1ccc(cc1)C(C)C 34a_100000210773_100000210202 [0,1,0,0,0,0|1,0,0]=2 765 B12R1.113 CCNc1ccc(cc1)C(C)C 7a_100000210773_100000210202 [0,1,0,0,0,0|1,0,0]=2 766 B12R1.113 CCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210202 [0,1,0,0,0,0|2,0,0]=3 767 B12R1.113 CCNc1ccc(cc1)C(C)O 34a_100011216399_100000210202 [0,1,0,0,0,0|2,0,0]=3 768 B12R1.113 CCNc1ccc(cc1)C(F)F 34a_100020620101_100000210202 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.113 CCNc1ccc(cc1)C(F)F 7a_100020620101_100000210202 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.113 CCNc1ccc(cc1)N(C)C 34a_100016997997_100000210202 [0,1,0,0,0,0|2,0,0]=3 771 B12R1.113 CCNc1cnc(nc1)C(C)C 27a_100015525214_200009814916 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.113 CCNc1ncc(cn1)C(C)C 27a_100015525214_100000102307 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [0,1,0,0,0,0|2,0,1]=4 774 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [0,1,0,0,0,0|2,0,1]=4 775 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [0,1,0,0,0,0|2,0,1]=4 776 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [0,1,0,0,0,0|2,0,1]=4 777 B12R1.113 CCOc1ccc(cc1)C(C)C 34a_100000181308_100000210202 [0,1,0,0,0,0|1,0,0]=2 778 B12R1.113 CCOc1ccc(cc1)C(C)C 7a_100000181308_100000210202 [0,1,0,0,0,0|1,0,0]=2 779 B12R1.113 CCOc1ccc(cc1)C(C)O 34a_100000754508_100000210202 [0,1,0,0,0,0|2,0,0]=3 780 B12R1.113 CCOc1ccc(cc1)C(C)O 7a_100000754508_100000210202 [0,1,0,0,0,0|2,0,0]=3 781 B12R1.113 CCOc1ccc(cc1)N(C)C 2230a_100025784348_200000210301 [0,1,0,0,0,0|2,0,0]=3 782 B12R1.113 CCOc1ccc(cc1)N(C)C 269982a_100025784348_200000210301 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100000718910_100000210202 [0,1,0,0,0,0|2,0,0]=3 784 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100025784348_200000210301 [0,1,0,0,0,0|2,0,0]=3 785 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 2230a_100025784348_200025704644 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 269982a_100025784348_200025704644 [0,1,0,0,0,0|2,0,0]=3 787 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 34a_100025784348_200025704644 [0,1,0,0,0,0|2,0,0]=3 788 B12R1.113 CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210202 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.113 CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210202 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.113 CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210202 [0,1,0,0,0,0|2,0,0]=3 791 B12R1.113 CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210202 [0,1,0,0,0,0|2,0,0]=3 792 B12R1.113 CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210202 [0,1,0,0,0,0|2,0,0]=3 793 B12R1.113 CCSc1ccc(cc1)C(=O)C 1458a_100000244969_200000210301 [0,1,0,0,0,0|2,0,1]=4 794 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210202 [0,1,0,0,0,0|2,0,1]=4 795 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000210202_100000185465 [0,1,0,0,0,0|2,0,1]=4 796 B12R1.113 CCSc1ccc(cc1)C(=O)[13CH3] 1458a_100000244969_200025704644 [0,1,0,0,0,0|2,0,1]=4 797 B12R1.113 CCSc1ccc(cc1)C(C)C 62a_100000210202_100000750031 [0,1,0,0,0,0|1,0,0]=2 798 B12R1.113 CCSc1ccc(cc1)C(C)C 62a_100000750031_100000210202 [0,1,0,0,0,0|1,0,0]=2 799 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000210202_100000745893 [0,1,0,0,0,0|2,0,0]=3 800 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000745893_100000210202 [0,1,0,0,0,0|2,0,0]=3 801 B12R1.113 CCSc1ccc(cc1)C(F)F 62a_100000210202_100000687661 [0,1,0,0,0,0|3,0,0]=4 802 B12R1.113 CCSc1ccc(cc1)C(F)F 62a_100000687661_100000210202 [0,1,0,0,0,0|3,0,0]=4 803 B12R1.113 CCSc1ccc(cc1)N(C)C 62a_100000210202_100000210421 [0,1,0,0,0,0|2,0,0]=3 804 B12R1.113 CCSc1ccc(cc1)N(C)C 62a_100000210421_100000210202 [0,1,0,0,0,0|2,0,0]=3 805 B12R1.113 CCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210202 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.113 CCSc1ccc(cc1)[C@@H](C)N 62a_100000210202_100000720352 [0,1,0,0,0,0|2,0,0]=3 807 B12R1.113 CCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210202 [0,1,0,0,0,0|2,0,0]=3 808 B12R1.113 CCSc1ccc(cc1)[C@H](C)N 62a_100000210202_100000753911 [0,1,0,0,0,0|2,0,0]=3 809 B12R1.113 CCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210202 [0,1,0,0,0,0|2,0,0]=3 810 B12R1.113 CCSc1ccc(cn1)C(C)C 62a_100000210202_200009815286 [0,1,0,0,0,0|2,0,0]=3 811 B12R1.113 CCSc1ccc(cn1)C(C)C 62a_200009815286_100000210202 [0,1,0,0,0,0|2,0,0]=3 812 B12R1.113 CCSc1ccc(cn1)C(C)O 62a_100000210202_200010274204 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.113 CCSc1ccc(cn1)C(C)O 62a_200010274204_100000210202 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.113 CCSc1ccc(cn1)N(C)C 62a_100000210202_100009992925 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.113 CCSc1ccc(cn1)N(C)C 62a_100009992925_100000210202 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.113 CCSc1ccc(cn1)[C@H](C)N 62a_100000210202_100015387476 [0,1,0,0,0,0|3,0,0]=4 817 B12R1.113 CCSc1ccc(cn1)[C@H](C)N 62a_100015387476_100000210202 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.113 CCSc1ccc(nc1)C(C)C 62a_100000210202_100010255768 [0,1,0,0,0,0|2,0,0]=3 819 B12R1.113 CCSc1ccc(nc1)C(C)C 62a_100010255768_100000210202 [0,1,0,0,0,0|2,0,0]=3 820 B12R1.113 CCSc1ccc(nc1)C(C)N 62a_100000210202_100000723930 [0,1,0,0,0,0|3,0,0]=4 821 B12R1.113 CCSc1ccc(nc1)C(C)N 62a_100000723930_100000210202 [0,1,0,0,0,0|3,0,0]=4 822 B12R1.113 CCSc1ccc(nc1)C(C)O 62a_100000210202_100012353650 [0,1,0,0,0,0|3,0,0]=4 823 B12R1.113 CCSc1ccc(nc1)C(C)O 62a_100012353650_100000210202 [0,1,0,0,0,0|3,0,0]=4 824 B12R1.113 CCSc1ccc(nc1)N(C)C 62a_100000210202_100011465347 [0,1,0,0,0,0|3,0,0]=4 825 B12R1.113 CCSc1ccc(nc1)N(C)C 62a_100011465347_100000210202 [0,1,0,0,0,0|3,0,0]=4 826 B12R1.113 CCSc1cnc(nc1)C(C)C 62a_100000210202_200009814916 [0,1,0,0,0,0|3,0,0]=4 827 B12R1.113 CCSc1cnc(nc1)C(C)C 62a_200009814916_100000210202 [0,1,0,0,0,0|3,0,0]=4 828 B12R1.113 CCSc1ncc(cn1)C(C)C 62a_100000102307_100000210202 [0,1,0,0,0,0|3,0,0]=4 829 B12R1.113 CCSc1ncc(cn1)C(C)C 62a_100000210202_100000102307 [0,1,0,0,0,0|3,0,0]=4 830 B12R1.113 CN(C)c1ccc(cc1)CO[13CH3] 34a_100000238745_200025704644 [0,1,0,0,0,0|1,0,0]=2 831 B12R1.113 CN(C)c1ccc(cc1)NCF 34a_100016997997_100015361967 [0,1,0,0,0,0|2,0,0]=3 832 B12R1.113 CN(C)c1ccc(cc1)OCF 34a_100000718910_100015361967 [0,1,0,0,0,0|2,0,0]=3 833 B12R1.113 CN(C)c1ccc(cc1)SCF 62a_100000210421_100015361967 [0,1,0,0,0,0|2,0,0]=3 834 B12R1.113 CN(C)c1ccc(cc1)SCF 62a_100015361967_100000210421 [0,1,0,0,0,0|2,0,0]=3 835 B12R1.113 CN(C)c1ccc(cn1)CN[13CH3] 2230a_100000738136_200025704644 [0,1,0,0,0,0|3,0,0]=4 836 B12R1.113 CN(C)c1ccc(cn1)SCF 62a_100011465347_100015361967 [0,1,0,0,0,0|3,0,0]=4 837 B12R1.113 CN(C)c1ccc(cn1)SCF 62a_100015361967_100011465347 [0,1,0,0,0,0|3,0,0]=4 838 B12R1.113 CN(C)c1ccc(nc1)SCF 62a_100009992925_100015361967 [0,1,0,0,0,0|3,0,0]=4 839 B12R1.113 CN(C)c1ccc(nc1)SCF 62a_100015361967_100009992925 [0,1,0,0,0,0|3,0,0]=4 840 B12R1.113 CNCc1ccc(cc1)C(=O)C 2230a_106832991635_100000756337 [0,1,0,0,0,0|2,0,1]=4 841 B12R1.113 CNCc1ccc(cc1)C(=O)C 26a_100102657272_100000185113 [0,1,0,0,0,0|2,0,1]=4 842 B12R1.113 CNCc1ccc(cc1)C(=O)C 34a_100102657272_100000756337 [0,1,0,0,0,0|2,0,1]=4 843 B12R1.113 CNCc1ccc(cc1)C(=O)C 7a_106832991635_100000756337 [0,1,0,0,0,0|2,0,1]=4 844 B12R1.113 CNCc1ccc(cc1)C(C)C 207a_100102657272_100000210693 [0,1,0,0,0,0|1,0,0]=2 845 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_100000174979_200000210301 [0,1,0,0,0,0|1,0,0]=2 846 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_106832991635_100000181262 [0,1,0,0,0,0|1,0,0]=2 847 B12R1.113 CNCc1ccc(cc1)C(C)C 26a_100102657272_100000181308 [0,1,0,0,0,0|1,0,0]=2 848 B12R1.113 CNCc1ccc(cc1)C(C)C 270004a_106832991635_100000210693 [0,1,0,0,0,0|1,0,0]=2 849 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100000174979_200000210301 [0,1,0,0,0,0|1,0,0]=2 850 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100102657272_100000181262 [0,1,0,0,0,0|1,0,0]=2 851 B12R1.113 CNCc1ccc(cc1)C(C)C 7a_106832991635_100000181262 [0,1,0,0,0,0|1,0,0]=2 852 B12R1.113 CNCc1ccc(cc1)C(C)O 2230a_200000048501_200000210301 [0,1,0,0,0,0|2,0,0]=3 853 B12R1.113 CNCc1ccc(cc1)C(C)O 26a_100102657272_100000754508 [0,1,0,0,0,0|2,0,0]=3 854 B12R1.113 CNCc1ccc(cc1)C(C)O 34a_200000048501_200000210301 [0,1,0,0,0,0|2,0,0]=3 855 B12R1.113 CNCc1ccc(cc1)C(F)F 2230a_100025706676_200000210301 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.113 CNCc1ccc(cc1)C(F)F 2230a_106832991635_200012343607 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.113 CNCc1ccc(cc1)C(F)F 34a_100025706676_200000210301 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.113 CNCc1ccc(cc1)C(F)F 34a_100102657272_200012343607 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.113 CNCc1ccc(cc1)C(F)F 7a_106832991635_200012343607 [0,1,0,0,0,0|3,0,0]=4 860 B12R1.113 CNCc1ccc(cc1)N(C)C 207a_100102657272_100000185837 [0,1,0,0,0,0|2,0,0]=3 861 B12R1.113 CNCc1ccc(cc1)N(C)C 270004a_106832991635_100000185837 [0,1,0,0,0,0|2,0,0]=3 862 B12R1.113 CNCc1ccc(cc1)S(=O)C 26a_100102657272_200000064373 [0,1,0,0,0,0|3,0,0]=4 863 B12R1.113 CNCc1ccc(cc1)[S+](C)C 26a_100102657272_100010188728 [0,1,0,0,0,0|2,0,0]=3 864 B12R1.113 CNCc1ccc(nc1)N(C)C 207a_100102657272_100000693196 [0,1,0,0,0,0|3,0,0]=4 865 B12R1.113 CNCc1ccc(nc1)N(C)C 2230a_100000738136_200000210301 [0,1,0,0,0,0|3,0,0]=4 866 B12R1.113 CNCc1ccc(nc1)N(C)C 270004a_106832991635_100000693196 [0,1,0,0,0,0|3,0,0]=4 867 B12R1.113 COCc1ccc(cc1)B(O)O 34a_100138415774_100009813762 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [0,1,0,0,0,0|1,0,1]=3 869 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [0,1,0,0,0,0|1,0,1]=3 870 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [0,1,0,0,0,0|1,0,1]=3 871 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100000162016_200000210301 [0,1,0,0,0,0|2,0,1]=4 872 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100138415774_100000231043 [0,1,0,0,0,0|2,0,1]=4 873 B12R1.113 COCc1ccc(cc1)C(=O)N 7a_100000162016_200000210301 [0,1,0,0,0,0|2,0,1]=4 874 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [0,1,0,0,0,0|1,0,1]=3 875 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100000181325_200000210301 [0,1,0,0,0,0|0,0,0]=1 876 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100138415774_100000181262 [0,1,0,0,0,0|0,0,0]=1 877 B12R1.113 COCc1ccc(cc1)C(C)C 7a_100000181325_200000210301 [0,1,0,0,0,0|0,0,0]=1 878 B12R1.113 COCc1ccc(cc1)C(F)F 34a_100138415774_200012343607 [0,1,0,0,0,0|2,0,0]=3 879 B12R1.113 COCc1ccc(cc1)N(C)C 34a_100000238745_200000210301 [0,1,0,0,0,0|1,0,0]=2 880 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [0,1,0,0,0,0|3,0,0]=4 882 B12R1.113 CS(=O)c1ccc(cc1)OCF 34a_200000064373_100015361967 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.113 CS(=O)c1ccc(cc1)OCF 7a_200000064373_100015361967 [0,1,0,0,0,0|3,0,0]=4 884 B12R1.113 CS(=O)c1ccc(cc1)SCF 62a_100009816266_100015361967 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.113 CSCc1ccc(cc1)C(=O)C 1458a_100000175442_200000210301 [0,1,0,0,0,0|1,1,1]=4 886 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_100000756337_200000210301 [0,1,0,0,0,0|1,1,1]=4 887 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_200000210301_100000756337 [0,1,0,0,0,0|1,1,1]=4 888 B12R1.113 CSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000175442_200025704644 [0,1,0,0,0,0|1,1,1]=4 889 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_100000181262_200000210301 [0,1,0,0,0,0|0,1,0]=2 890 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_200000210301_100000181262 [0,1,0,0,0,0|0,1,0]=2 891 B12R1.113 CSCc1ccc(cc1)C(F)F 62a_200000210301_200012343607 [0,1,0,0,0,0|2,1,0]=4 892 B12R1.113 CSCc1ccc(cc1)C(F)F 62a_200012343607_200000210301 [0,1,0,0,0,0|2,1,0]=4 893 B12R1.113 C[C@@H](N)c1ccc(cc1)SCF 62a_100000720352_100015361967 [0,1,0,0,0,0|2,0,0]=3 894 B12R1.113 C[C@@H](N)c1ccc(cc1)SCF 62a_100015361967_100000720352 [0,1,0,0,0,0|2,0,0]=3 895 B12R1.113 C[C@H](N)c1ccc(cc1)OCF 34a_100161106496_100015361967 [0,1,0,0,0,0|2,0,0]=3 896 B12R1.113 C[C@H](N)c1ccc(cc1)SCF 62a_100000753911_100015361967 [0,1,0,0,0,0|2,0,0]=3 897 B12R1.113 C[C@H](N)c1ccc(cc1)SCF 62a_100015361967_100000753911 [0,1,0,0,0,0|2,0,0]=3 898 B12R1.113 C[C@H](N)c1ccc(nc1)SCF 62a_100015361967_100015387476 [0,1,0,0,0,0|3,0,0]=4 899 B12R1.113 C[C@H](N)c1ccc(nc1)SCF 62a_100015387476_100015361967 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.113 C[S+](C)c1ccc(cc1)OCF 34a_100010188728_100015361967 [0,1,0,0,0,0|2,0,0]=3 901 B12R1.113 C[S+](C)c1ccc(cc1)OCF 7a_100010188728_100015361967 [0,1,0,0,0,0|2,0,0]=3 902 B12R1.113 FCNc1ccc(cc1)C(F)F 34a_100020620101_100015361967 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.113 FCNc1ccc(cc1)C(F)F 7a_100020620101_100015361967 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.113 FCSc1ccc(cc1)C(F)F 62a_100000687661_100015361967 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.113 FCSc1ccc(cc1)C(F)F 62a_100015361967_100000687661 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CC#N 1458a_100000693995_200025704644 [0,1,0,0,0,0|2,0,1]=4 907 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [0,1,0,0,0,0|1,0,1]=3 908 B12R1.113 [13CH3]NCc1ccc(cc1)C(F)F 2230a_100025706676_200025704644 [0,1,0,0,0,0|3,0,0]=4 909 B12R1.113 [13CH3]NCc1ccc(cc1)C(F)F 34a_100025706676_200025704644 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 34a_100000162016_200025704644 [0,1,0,0,0,0|2,0,1]=4 911 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 7a_100000162016_200025704644 [0,1,0,0,0,0|2,0,1]=4 912 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.113 [13CH3]SCc1ccc(cc1)C(F)F 62a_200012343607_200025704644 [0,1,0,0,0,0|2,1,0]=4 914 B12R1.113 [13CH3]SCc1ccc(cc1)C(F)F 62a_200025704644_200012343607 [0,1,0,0,0,0|2,1,0]=4 915 B12R1.256 C=C(C)c1ccc(cc1)B(O)O 271570a_100000694244_100000754493 [0,1,0,0,0,0|1,0,2]=4 916 B12R1.256 C=C(C)c1ccc(cc1)C(C)C 271570a_100000694244_100000750031 [0,1,0,0,0,0|1,0,1]=3 917 B12R1.256 C=C(C)c1ccc(cc1)C(C)O 271570a_100000694244_100000745893 [0,1,0,0,0,0|0,0,2]=3 918 B12R1.256 C=C(C)c1ccc(cc1)C(F)F 271570a_100000694244_100010189923 [0,1,0,0,0,0|1,0,2]=4 919 B12R1.256 C=C(C)c1ccc(cc1)N(C)C 271570a_100000694244_100000210421 [0,1,0,0,0,0|2,0,1]=4 920 B12R1.256 C=C(C)c1ccc(cc1)[C@@H](C)N 271570a_100000694244_100000720352 [0,1,0,0,0,0|1,0,2]=4 921 B12R1.256 C=C(C)c1ccc(cc1)[C@H](C)N 271570a_100000694244_100000753911 [0,1,0,0,0,0|1,0,2]=4 922 B12R1.256 C=C(C)c1ccc(cn1)C(C)C 271570a_100000694244_200009815286 [0,1,0,0,0,0|2,0,1]=4 923 B12R1.256 C=C(C)c1ccc(cn1)C(C)O 271570a_100000694244_200010274204 [0,1,0,0,0,0|1,0,2]=4 924 B12R1.256 C=C(C)c1ccc(nc1)C(C)C 271570a_100000694244_100010255768 [0,1,0,0,0,0|2,0,1]=4 925 B12R1.256 C=C(C)c1ccc(nc1)C(C)O 271570a_100000694244_100012353650 [0,1,0,0,0,0|1,0,2]=4 926 B12R1.256 CC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_200000210301 [0,1,0,0,0,0|0,0,2]=3 927 B12R1.256 CC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_200000210301 [0,1,0,0,0,0|1,0,1]=3 928 B12R1.256 CC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200000210301 [0,1,0,0,0,0|2,0,1]=4 929 B12R1.256 CC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_200000210301 [0,1,0,0,0,0|1,0,2]=4 930 B12R1.256 CC(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210772_200025704644 [0,1,0,0,0,0|0,0,2]=3 931 B12R1.256 CC(C)c1ccc(cc1)N(C)C 2230a_100000688768_200000210301 [0,1,0,0,0,0|2,0,0]=3 932 B12R1.256 CC(C)c1ccc(cc1)N(C)C 269982a_100000688768_200000210301 [0,1,0,0,0,0|2,0,0]=3 933 B12R1.256 CC(C)c1ccc(cc1)N(C)C 34a_100000688768_200000210301 [0,1,0,0,0,0|2,0,0]=3 934 B12R1.256 CC(C)c1ccc(cc1)N(C)C 38a_100000688768_200000210301 [0,1,0,0,0,0|2,0,0]=3 935 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 2230a_100000688768_200025704644 [0,1,0,0,0,0|2,0,0]=3 936 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 269982a_100000688768_200025704644 [0,1,0,0,0,0|2,0,0]=3 937 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 34a_100000688768_200025704644 [0,1,0,0,0,0|2,0,0]=3 938 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 38a_100000688768_200025704644 [0,1,0,0,0,0|2,0,0]=3 939 B12R1.256 CC(O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076921_200025704644 [0,1,0,0,0,0|1,0,1]=3 940 B12R1.256 CN(C)c1ccc(cc1)C(=O)N 27a_100102631434_100000162191 [0,1,0,0,0,0|1,0,2]=4 941 B12R1.256 CN(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210873_200025704644 [0,1,0,0,0,0|1,0,2]=4 942 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200000210301 [0,1,0,0,0,0|2,0,1]=4 943 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200000210301 [0,1,0,0,0,0|2,0,1]=4 944 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200000210301 [0,1,0,0,0,0|2,0,1]=4 945 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200025704644 [0,1,0,0,0,0|2,0,1]=4 946 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200025704644 [0,1,0,0,0,0|2,0,1]=4 947 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200025704644 [0,1,0,0,0,0|2,0,1]=4 948 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200025704644 [0,1,0,0,0,0|2,0,1]=4 949 B12R1.452 C=C(C)c1ccc(cc1Br)CC 271570a_100000694244_200009997437 [0,1,0,0,0,0|1,0,2]=4 950 B12R1.452 C=C(C)c1ccc(cc1C)CN 271570a_100000694244_100015205234 [0,1,0,0,0,0|1,0,2]=4 951 B12R1.452 C=C(C)c1ccc(cc1C)CO 271570a_100000694244_100000718852 [0,1,0,0,0,0|0,0,2]=3 952 B12R1.452 C=C(C)c1ccc(cc1Cl)CO 271570a_100000694244_100000718186 [0,1,0,0,0,0|0,0,2]=3 953 B12R1.452 C=C(C)c1ccc(cc1F)CC 271570a_100000694244_200010339503 [0,1,0,0,0,0|1,0,2]=4 954 B12R1.452 C=C(C)c1ccc(cc1F)CN 271570a_100000694244_100000755036 [0,1,0,0,0,0|1,0,2]=4 955 B12R1.452 C=C(C)c1ccc(cc1F)CO 271570a_100000694244_100011533735 [0,1,0,0,0,0|0,0,2]=3 956 B12R1.452 C=C(C)c1ccc(cc1N)CO 271570a_100000694244_100012347568 [0,1,0,0,0,0|0,0,2]=3 957 B12R1.452 C=C(C)c1ccc(cc1O)CO 271570a_100000694244_100000049605 [0,1,0,0,0,0|0,0,2]=3 958 B12R1.452 C=C(C)c1ccc(nc1C)CO 271570a_100000694244_100010114280 [0,1,0,0,0,0|1,0,2]=4 959 B12R1.452 C=C(C)c1cnc(cc1C)CO 271570a_100000694244_200010713146 [0,1,0,0,0,0|1,0,2]=4 960 B12R1.452 C=C(C)c1ncc(cc1C)CO 271570a_100000694244_200000092119 [0,1,0,0,0,0|1,0,2]=4 961 B12R1.452 C=C(C)c1ncc(cc1F)CO 271570a_100000694244_100010065243 [0,1,0,0,0,0|1,0,2]=4 962 B12R1.452 C=Cc1ccc(c(c1)F)C(C)N 271570a_100011290941_100000730447 [0,1,0,0,0,0|2,0,1]=4 963 B12R1.452 C=Cc1ccc(c(c1)N)N(C)C 271570a_100011290941_100000737018 [0,1,0,0,0,0|2,0,1]=4 964 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,1,0,0,0,0|1,0,1]=3 965 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,1,0,0,0,0|1,0,1]=3 966 B12R1.452 CC(N)c1ccc(cc1F)S[13CH3] 62a_100000730447_200025704644 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.452 CC(N)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000730447 [0,1,0,0,0,0|3,0,0]=4 968 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [0,1,0,0,0,0|2,0,1]=4 969 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [0,1,0,0,0,0|2,0,1]=4 970 B12R1.452 CN(C)c1ccc(cc1Cl)N[13CH3] 34a_100000742791_200025704644 [0,1,0,0,0,0|3,0,0]=4 971 B12R1.452 CN(C)c1ccc(cc1F)N[13CH3] 34a_100011248830_200025704644 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.452 CN(C)c1ccc(cc1I)C#N 269982a_200020994358_200000210301 [0,1,0,0,0,0|2,0,1]=4 973 B12R1.452 CN(C)c1ccc(cc1N)S[13CH3] 62a_100000737018_200025704644 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.452 CN(C)c1ccc(cc1N)S[13CH3] 62a_200025704644_100000737018 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.452 CN(C)c1ccc(cc1O)C=O 271570a_203496583355_200011298039 [0,1,0,0,0,0|1,0,2]=4 976 B12R1.452 CN([13CH3])c1ccc(cc1I)C#N 269982a_200020994358_200025704644 [0,1,0,0,0,0|2,0,1]=4 977 B12R1.452 CNc1ccc(c(c1)C)C(C)C 2230a_100000005830_200000210301 [0,1,0,0,0,0|2,0,0]=3 978 B12R1.452 CNc1ccc(c(c1)C)C(C)C 34a_100000005830_200000210301 [0,1,0,0,0,0|2,0,0]=3 979 B12R1.452 CNc1ccc(c(c1)C)C(C)C 7a_100000005830_200000210301 [0,1,0,0,0,0|2,0,0]=3 980 B12R1.452 CNc1ccc(c(c1)C)N(C)C 34a_100000738307_200000210301 [0,1,0,0,0,0|3,0,0]=4 981 B12R1.452 CNc1ccc(c(c1)Cl)N(C)C 34a_100000742791_200000210301 [0,1,0,0,0,0|3,0,0]=4 982 B12R1.452 CNc1ccc(c(c1)F)N(C)C 34a_100011248830_200000210301 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.452 COc1ccc(c(c1)C)C(C)C 34a_100000210824_200000210301 [0,1,0,0,0,0|2,0,0]=3 984 B12R1.452 COc1ccc(c(c1)C)C(C)C 7a_100000210824_200000210301 [0,1,0,0,0,0|2,0,0]=3 985 B12R1.452 COc1ccc(c(c1)C)N(C)C 2230a_103496583619_200000210301 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.452 COc1ccc(c(c1)C)N(C)C 269982a_103496583619_200000210301 [0,1,0,0,0,0|3,0,0]=4 987 B12R1.452 COc1ccc(c(c1)C)N(C)C 34a_103496583619_200000210301 [0,1,0,0,0,0|3,0,0]=4 988 B12R1.452 COc1ccc(c(c1)C)N(C)C 38a_103496583619_200000210301 [0,1,0,0,0,0|3,0,0]=4 989 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 2230a_103496583619_200025704644 [0,1,0,0,0,0|3,0,0]=4 990 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 269982a_103496583619_200025704644 [0,1,0,0,0,0|3,0,0]=4 991 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 34a_103496583619_200025704644 [0,1,0,0,0,0|3,0,0]=4 992 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 38a_103496583619_200025704644 [0,1,0,0,0,0|3,0,0]=4 993 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [0,1,0,0,0,0|3,0,0]=4 994 B12R1.452 CSc1ccc(c(c1)F)C(C)N 62a_100000730447_200000210301 [0,1,0,0,0,0|3,0,0]=4 995 B12R1.452 CSc1ccc(c(c1)F)C(C)N 62a_200000210301_100000730447 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.452 CSc1ccc(c(c1)N)N(C)C 62a_100000737018_200000210301 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.452 CSc1ccc(c(c1)N)N(C)C 62a_200000210301_100000737018 [0,1,0,0,0,0|3,0,0]=4 998 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 2230a_100000005830_200025704644 [0,1,0,0,0,0|2,0,0]=3 999 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 34a_100000005830_200025704644 [0,1,0,0,0,0|2,0,0]=3 1000 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 7a_100000005830_200025704644 [0,1,0,0,0,0|2,0,0]=3 1001 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 34a_100000210824_200025704644 [0,1,0,0,0,0|2,0,0]=3 1002 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 7a_100000210824_200025704644 [0,1,0,0,0,0|2,0,0]=3 1003 B12R1.452 Cc1cc(ccc1N(C)C)N[13CH3] 34a_100000738307_200025704644 [0,1,0,0,0,0|3,0,0]=4 1004 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,1,0,0,0,0|1,0,1]=3 1005 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,1,0,0,0,0|1,0,1]=3 1006 B12R2.9 C=Cc1ccc(cc1)C2CC2 271570a_100011290941_100009820665 [0,0,0,1,0,0|1,0,1]=3 1007 B12R2.9 C=Cc1ccc(cn1)C2CC2 271570a_100011290941_200000118129 [0,0,0,1,0,0|2,0,1]=4 1008 B12R2.9 C=Cc1ccc(nc1)C2CC2 271570a_100011290941_100009850895 [0,0,0,1,0,0|2,0,1]=4 1009 B12R2.9 CCc1ccc(cc1)C2CC2 271570a_100011220607_100011215824 [0,0,0,1,0,0|1,0,0]=2 1010 B12R2.9 CCc1ccc(cn1)C2CC2 271570a_100011220607_100009820025 [0,0,0,1,0,0|2,0,0]=3 1011 B12R2.9 CCc1ccc(nc1)C2CC2 271570a_100011220607_100009843584 [0,0,0,1,0,0|2,0,0]=3 1012 B12R2.9 CCc1cnc(nc1)C2CC2 271570a_100011220607_100000033099 [0,0,0,1,0,0|3,0,0]=4 1013 B12R2.9 CNc1ccc(cc1)C2CC2 271570a_100011220607_100000219623 [0,0,0,1,0,0|2,0,0]=3 1014 B12R2.9 CNc1ccc(cc1)C2CC2 34a_100016991203_200000210301 [0,0,0,1,0,0|2,0,0]=3 1015 B12R2.9 CNc1ccc(cn1)C2CC2 271570a_100011220607_100000741341 [0,0,0,1,0,0|3,0,0]=4 1016 B12R2.9 CNc1ccc(nc1)C2CC2 271570a_100011220607_100000764248 [0,0,0,1,0,0|3,0,0]=4 1017 B12R2.9 COc1ccc(cc1)C2CC2 271570a_100011220607_100000171711 [0,0,0,1,0,0|2,0,0]=3 1018 B12R2.9 COc1ccc(cc1)C2CC2 34a_100011997980_200000210301 [0,0,0,1,0,0|2,0,0]=3 1019 B12R2.9 COc1ccc(cc1)C2CC2 7a_100011997980_200000210301 [0,0,0,1,0,0|2,0,0]=3 1020 B12R2.9 COc1ccc(cn1)C2CC2 271570a_100011220607_100000047065 [0,0,0,1,0,0|3,0,0]=4 1021 B12R2.9 COc1ccc(nc1)C2CC2 271570a_100011220607_100000755202 [0,0,0,1,0,0|3,0,0]=4 1022 B12R2.9 CSc1ccc(cc1)C2CC2 271570a_100011220607_100011263217 [0,0,0,1,0,0|2,0,0]=3 1023 B12R2.9 CSc1ccc(cc1)C2CC2 62a_200000210301_100009820665 [0,0,0,1,0,0|2,0,0]=3 1024 B12R2.9 CSc1ccc(cn1)C2CC2 271570a_100011220607_100011408404 [0,0,0,1,0,0|3,0,0]=4 1025 B12R2.9 CSc1ccc(cn1)C2CC2 62a_200000210301_200000118129 [0,0,0,1,0,0|3,0,0]=4 1026 B12R2.9 CSc1ccc(nc1)C2CC2 271570a_100011220607_100009820866 [0,0,0,1,0,0|3,0,0]=4 1027 B12R2.9 CSc1ccc(nc1)C2CC2 62a_100009850895_200000210301 [0,0,0,1,0,0|3,0,0]=4 1028 B12R2.9 CSc1ccc(nc1)C2CC2 62a_200000210301_100009850895 [0,0,0,1,0,0|3,0,0]=4 1029 B12R2.9 FCc1ccc(cc1)C2CC2 271570a_100011220607_100010268989 [0,0,0,1,0,0|1,0,0]=2 1030 B12R2.9 N#Cc1ccc(cc1)C2CC2 271570a_100011220607_100000179745 [0,0,0,1,0,0|1,0,1]=3 1031 B12R2.9 N#Cc1ccc(cn1)C2CC2 271570a_100011220607_100000760455 [0,0,0,1,0,0|2,0,1]=4 1032 B12R2.9 N#Cc1ccc(nc1)C2CC2 271570a_100011220607_100000241038 [0,0,0,1,0,0|2,0,1]=4 1033 B12R2.9 NCc1ccc(cc1)C2CC2 271570a_100011220607_100016989417 [0,0,0,1,0,0|1,0,0]=2 1034 B12R2.9 NCc1ccc(cn1)C2CC2 271570a_100011220607_100015188789 [0,0,0,1,0,0|2,0,0]=3 1035 B12R2.9 NCc1ccc(nc1)C2CC2 271570a_100011220607_100009817727 [0,0,0,1,0,0|2,0,0]=3 1036 B12R2.9 NCc1ncc(cn1)C2CC2 271570a_100011220607_200016993442 [0,0,0,1,0,0|3,0,0]=4 1037 B12R2.9 NNc1ccc(cc1)C2CC2 271570a_100011220607_100016988836 [0,0,0,1,0,0|2,0,0]=3 1038 B12R2.9 NNc1ccc(cn1)C2CC2 271570a_100011220607_100000750576 [0,0,0,1,0,0|3,0,0]=4 1039 B12R2.9 NNc1ccc(nc1)C2CC2 271570a_100011220607_100000119030 [0,0,0,1,0,0|3,0,0]=4 1040 B12R2.9 O=Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186029 [0,0,0,1,0,0|0,0,2]=3 1041 B12R2.9 O=Cc1ccc(cn1)C2CC2 271570a_100011220607_100000754260 [0,0,0,1,0,0|1,0,2]=4 1042 B12R2.9 O=Cc1ccc(nc1)C2CC2 271570a_100011220607_100000766901 [0,0,0,1,0,0|1,0,2]=4 1043 B12R2.9 OCc1ccc(cc1)C2CC2 271570a_100011220607_100000690907 [0,0,0,1,0,0|0,0,0]=1 1044 B12R2.9 OCc1ccc(cn1)C2CC2 271570a_100011220607_100000754261 [0,0,0,1,0,0|1,0,0]=2 1045 B12R2.9 OCc1ccc(nc1)C2CC2 271570a_100011220607_100009816760 [0,0,0,1,0,0|1,0,0]=2 1046 B12R2.9 OCc1cnc(cn1)C2CC2 271570a_100011220607_100012002382 [0,0,0,1,0,0|2,0,0]=3 1047 B12R2.9 OCc1cnc(nc1)C2CC2 271570a_100011220607_100009855073 [0,0,0,1,0,0|2,0,0]=3 1048 B12R2.9 OCc1ncc(cn1)C2CC2 271570a_100011220607_100009867226 [0,0,0,1,0,0|2,0,0]=3 1049 B12R2.9 [13CH3]Nc1ccc(cc1)C2CC2 34a_100016991203_200025704644 [0,0,0,1,0,0|2,0,0]=3 1050 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 34a_100011997980_200025704644 [0,0,0,1,0,0|2,0,0]=3 1051 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 7a_100011997980_200025704644 [0,0,0,1,0,0|2,0,0]=3 1052 B12R2.9 [13CH3]Sc1ccc(cc1)C2CC2 62a_200025704644_100009820665 [0,0,0,1,0,0|2,0,0]=3 1053 B12R2.9 [13CH3]Sc1ccc(cn1)C2CC2 62a_200025704644_200000118129 [0,0,0,1,0,0|3,0,0]=4 1054 B12R2.9 [13CH3]Sc1ccc(nc1)C2CC2 62a_100009850895_200025704644 [0,0,0,1,0,0|3,0,0]=4 1055 B12R2.9 [13CH3]Sc1ccc(nc1)C2CC2 62a_200025704644_100009850895 [0,0,0,1,0,0|3,0,0]=4 1056 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [0,0,0,1,0,0|1,0,2]=4 1057 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,0,0,1,0,0|2,0,1]=4 1058 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,0,0,1,0,0|2,0,1]=4 1059 B10R1.31 C=C(C)c1ccc(o1)CO 271570a_100000694244_100000246276 [0,0,0,0,1,0|1,0,2]=4 1060 B10R1.31 C=C(C)c1ccc(s1)CO 271570a_100000694244_100000246291 [0,0,0,0,1,0|1,0,2]=4 1061 B10R1.31 C=C(C)c1csc(c1)CO 271570a_100000694244_100000238369 [0,0,0,0,1,0|1,0,2]=4 1062 B10R1.31 CC(C)c1noc(n1)CO 270196a_100000210513_100000210174 [0,0,0,0,1,0|3,0,0]=4 1063 B10R1.31 CC(C)n1cc(nn1)CO 274090a_100000210206_100000210247 [0,0,0,0,1,0|3,0,0]=4 1064 B12R1.4 C#Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000140223 [0,0,0,0,0,1|2,0,1]=4 1065 B12R1.4 C#Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000140223 [0,0,0,0,0,1|2,0,1]=4 1066 B12R1.4 C#Cc1ccc(cc1)CN(C)C 270004a_100102631434_100011361452 [0,0,0,0,0,1|2,0,1]=4 1067 B12R1.4 C#Cc1ccc(cc1)NC(C)C 34a_100011215031_100000210206 [0,0,0,0,0,1|1,0,1]=3 1068 B12R1.4 C#Cc1ccc(nc1)OC(C)C 34a_200009884252_100000210206 [0,0,0,0,0,1|2,0,1]=4 1069 B12R1.4 C=Cc1ccc(cc1)CC(C)C 271570a_100011290941_100011221366 [0,0,0,0,0,1|1,0,1]=3 1070 B12R1.4 C=Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000034074 [0,0,0,0,0,1|2,0,1]=4 1071 B12R1.4 C=Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000034074 [0,0,0,0,0,1|2,0,1]=4 1072 B12R1.4 C=Cc1ccc(cc1)CN(C)C 270004a_100102631434_100011361436 [0,0,0,0,0,1|2,0,1]=4 1073 B12R1.4 C=Cc1ccc(cc1)CN(C)C 271570a_100011290941_100000174694 [0,0,0,0,0,1|2,0,1]=4 1074 B12R1.4 C=Cc1ccc(cc1)NC(C)C 271570a_100011290941_100000219625 [0,0,0,0,0,1|1,0,1]=3 1075 B12R1.4 C=Cc1ccc(cc1)NC(C)C 34a_100011218248_100000210206 [0,0,0,0,0,1|1,0,1]=3 1076 B12R1.4 C=Cc1ccc(cc1)OC(C)C 271570a_100011290941_100000169947 [0,0,0,0,0,1|1,0,1]=3 1077 B12R1.4 C=Cc1ccc(cc1)OC(C)C 34a_100000189437_100000210206 [0,0,0,0,0,1|1,0,1]=3 1078 B12R1.4 C=Cc1ccc(cc1)OC(C)C 7a_100000189437_100000210206 [0,0,0,0,0,1|1,0,1]=3 1079 B12R1.4 C=Cc1ccc(cc1)SC(C)C 271570a_100011290941_100009811894 [0,0,0,0,0,1|1,0,1]=3 1080 B12R1.4 C=Cc1ccc(cc1)SC(C)C 62a_100000210206_100000748128 [0,0,0,0,0,1|1,0,1]=3 1081 B12R1.4 C=Cc1ccc(cc1)SC(C)C 62a_100000748128_100000210206 [0,0,0,0,0,1|1,0,1]=3 1082 B12R1.4 C=Cc1ccc(cn1)OC(C)C 271570a_100011290941_100012354243 [0,0,0,0,0,1|2,0,1]=4 1083 B12R1.4 C=Cc1ccc(nc1)OC(C)C 271570a_100011290941_100000688564 [0,0,0,0,0,1|2,0,1]=4 1084 B12R1.4 C=Cc1ccc(nc1)SC(C)C 62a_100000210206_103436540071 [0,0,0,0,0,1|2,0,1]=4 1085 B12R1.4 C=Cc1ccc(nc1)SC(C)C 62a_103436540071_100000210206 [0,0,0,0,0,1|2,0,1]=4 1086 B12R1.4 CC(=Cc1ccc(cc1)C#N)C 271570a_100102525489_100000179745 [0,0,0,0,0,1|1,0,2]=4 1087 B12R1.4 CC(=Cc1ccc(cc1)C=O)C 271570a_100102525489_100000186029 [0,0,0,0,0,1|0,0,3]=4 1088 B12R1.4 CC(=Cc1ccc(cc1)CF)C 271570a_100102525489_100010268989 [0,0,0,0,0,1|1,0,1]=3 1089 B12R1.4 CC(=Cc1ccc(cc1)CN)C 271570a_100102525489_100016989417 [0,0,0,0,0,1|1,0,1]=3 1090 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [0,0,0,0,0,1|0,0,1]=2 1091 B12R1.4 CC(=Cc1ccc(cc1)NN)C 271570a_100102525489_100016988836 [0,0,0,0,0,1|2,0,1]=4 1092 B12R1.4 CC(=Cc1ccc(cn1)CN)C 271570a_100102525489_100009817727 [0,0,0,0,0,1|2,0,1]=4 1093 B12R1.4 CC(=Cc1ccc(cn1)CO)C 271570a_100102525489_100009816760 [0,0,0,0,0,1|1,0,1]=3 1094 B12R1.4 CC(=Cc1ccc(nc1)CN)C 271570a_100102525489_100015188789 [0,0,0,0,0,1|2,0,1]=4 1095 B12R1.4 CC(=Cc1ccc(nc1)CO)C 271570a_100102525489_100000754261 [0,0,0,0,0,1|1,0,1]=3 1096 B12R1.4 CC(=Cc1cnc(cn1)CO)C 271570a_100102525489_100012002382 [0,0,0,0,0,1|2,0,1]=4 1097 B12R1.4 CC(=Cc1cnc(nc1)CO)C 271570a_100102525489_100009867226 [0,0,0,0,0,1|2,0,1]=4 1098 B12R1.4 CC(=Cc1ncc(cn1)CO)C 271570a_100102525489_100009855073 [0,0,0,0,0,1|2,0,1]=4 1099 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,0,0,0,0,1|1,0,1]=3 1100 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,0,0,0,0,1|1,0,1]=3 1101 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,0,0,0,0,1|1,0,1]=3 1102 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 2230a_100000687309_200025704644 [0,0,0,0,0,1|2,0,0]=3 1103 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 34a_100000687309_200025704644 [0,0,0,0,0,1|2,0,0]=3 1104 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_100011221366_200025704644 [0,0,0,0,0,1|2,0,0]=3 1105 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100011221366 [0,0,0,0,0,1|2,0,0]=3 1106 B12R1.4 CC(C)Nc1ccc(cc1)C#N 34a_100000185469_100000210206 [0,0,0,0,0,1|1,0,1]=3 1107 B12R1.4 CC(C)Nc1ccc(cc1)CO 2230a_100011215238_100000210206 [0,0,0,0,0,1|0,0,0]=1 1108 B12R1.4 CC(C)Nc1ccc(cc1)CO 34a_100011215238_100000210206 [0,0,0,0,0,1|0,0,0]=1 1109 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_100000219625_200025704644 [0,0,0,0,0,1|2,0,0]=3 1110 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000219625 [0,0,0,0,0,1|2,0,0]=3 1111 B12R1.4 CC(C)Nc1ccc(cn1)C#N 27a_100138425928_100000241038 [0,0,0,0,0,1|2,0,1]=4 1112 B12R1.4 CC(C)Nc1cnc(cn1)CO 27a_100138425928_100012002382 [0,0,0,0,0,1|2,0,0]=3 1113 B12R1.4 CC(C)Nc1ncc(cn1)CO 27a_100138425928_100009855073 [0,0,0,0,0,1|2,0,0]=3 1114 B12R1.4 CC(C)Oc1ccc(cc1)C#N 34a_100000210344_100000210206 [0,0,0,0,0,1|1,0,1]=3 1115 B12R1.4 CC(C)Oc1ccc(cc1)C#N 7a_100000210344_100000210206 [0,0,0,0,0,1|1,0,1]=3 1116 B12R1.4 CC(C)Oc1ccc(cc1)CN 34a_100000185549_100000210206 [0,0,0,0,0,1|1,0,0]=2 1117 B12R1.4 CC(C)Oc1ccc(cc1)CO 34a_100000211755_100000210206 [0,0,0,0,0,1|0,0,0]=1 1118 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 2230a_100011194259_200025704644 [0,0,0,0,0,1|2,0,0]=3 1119 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 34a_100011194259_200025704644 [0,0,0,0,0,1|2,0,0]=3 1120 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 34a_100000757185_200025704644 [0,0,0,0,0,1|2,0,0]=3 1121 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 7a_100000757185_200025704644 [0,0,0,0,0,1|2,0,0]=3 1122 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_100000169947_200025704644 [0,0,0,0,0,1|2,0,0]=3 1123 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000169947 [0,0,0,0,0,1|2,0,0]=3 1124 B12R1.4 CC(C)Oc1ccc(cn1)CN 34a_100000757128_100000210206 [0,0,0,0,0,1|2,0,0]=3 1125 B12R1.4 CC(C)Oc1ccc(cn1)O[13CH3] 34a_100009858630_200025704644 [0,0,0,0,0,1|3,0,0]=4 1126 B12R1.4 CC(C)Oc1ccc(cn1)S[13CH3] 62a_100000688564_200025704644 [0,0,0,0,0,1|3,0,0]=4 1127 B12R1.4 CC(C)Oc1ccc(cn1)S[13CH3] 62a_200025704644_100000688564 [0,0,0,0,0,1|3,0,0]=4 1128 B12R1.4 CC(C)Oc1ccc(nc1)C#N 34a_100011934750_100000210206 [0,0,0,0,0,1|2,0,1]=4 1129 B12R1.4 CC(C)Oc1ccc(nc1)C#N 7a_100011934750_100000210206 [0,0,0,0,0,1|2,0,1]=4 1130 B12R1.4 CC(C)Oc1ccc(nc1)CN 34a_100020605196_100000210206 [0,0,0,0,0,1|2,0,0]=3 1131 B12R1.4 CC(C)Oc1ccc(nc1)CO 34a_103436540053_100000210206 [0,0,0,0,0,1|1,0,0]=2 1132 B12R1.4 CC(C)Oc1ccc(nc1)S[13CH3] 62a_100012354243_200025704644 [0,0,0,0,0,1|3,0,0]=4 1133 B12R1.4 CC(C)Oc1ccc(nc1)S[13CH3] 62a_200025704644_100012354243 [0,0,0,0,0,1|3,0,0]=4 1134 B12R1.4 CC(C)Sc1ccc(cc1)C#N 62a_100000210206_100000184291 [0,0,0,0,0,1|1,0,1]=3 1135 B12R1.4 CC(C)Sc1ccc(cc1)C=O 62a_100000188517_100000210206 [0,0,0,0,0,1|0,0,2]=3 1136 B12R1.4 CC(C)Sc1ccc(cc1)C=O 62a_100000210206_100000188517 [0,0,0,0,0,1|0,0,2]=3 1137 B12R1.4 CC(C)Sc1ccc(cc1)CF 62a_100000210206_100010268989 [0,0,0,0,0,1|1,0,0]=2 1138 B12R1.4 CC(C)Sc1ccc(cc1)CF 62a_100010268989_100000210206 [0,0,0,0,0,1|1,0,0]=2 1139 B12R1.4 CC(C)Sc1ccc(cc1)CN 62a_100000210206_100016989417 [0,0,0,0,0,1|1,0,0]=2 1140 B12R1.4 CC(C)Sc1ccc(cc1)CN 62a_100016989417_100000210206 [0,0,0,0,0,1|1,0,0]=2 1141 B12R1.4 CC(C)Sc1ccc(cc1)CO 62a_100000210206_100000690907 [0,0,0,0,0,1|0,0,0]=1 1142 B12R1.4 CC(C)Sc1ccc(cc1)CO 62a_100000690907_100000210206 [0,0,0,0,0,1|0,0,0]=1 1143 B12R1.4 CC(C)Sc1ccc(cc1)NN 62a_100000210206_100016988836 [0,0,0,0,0,1|2,0,0]=3 1144 B12R1.4 CC(C)Sc1ccc(cc1)NN 62a_100016988836_100000210206 [0,0,0,0,0,1|2,0,0]=3 1145 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_100009811894_200025704644 [0,0,0,0,0,1|2,0,0]=3 1146 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_200025704644_100009811894 [0,0,0,0,0,1|2,0,0]=3 1147 B12R1.4 CC(C)Sc1ccc(cn1)C#N 62a_100000210206_100000241038 [0,0,0,0,0,1|2,0,1]=4 1148 B12R1.4 CC(C)Sc1ccc(cn1)C=O 62a_100000210206_100000766901 [0,0,0,0,0,1|1,0,2]=4 1149 B12R1.4 CC(C)Sc1ccc(cn1)C=O 62a_100000766901_100000210206 [0,0,0,0,0,1|1,0,2]=4 1150 B12R1.4 CC(C)Sc1ccc(cn1)CN 62a_100000210206_100000735879 [0,0,0,0,0,1|2,0,0]=3 1151 B12R1.4 CC(C)Sc1ccc(cn1)CN 62a_100000735879_100000210206 [0,0,0,0,0,1|2,0,0]=3 1152 B12R1.4 CC(C)Sc1ccc(cn1)CO 62a_100000210206_100009816760 [0,0,0,0,0,1|1,0,0]=2 1153 B12R1.4 CC(C)Sc1ccc(cn1)CO 62a_100009816760_100000210206 [0,0,0,0,0,1|1,0,0]=2 1154 B12R1.4 CC(C)Sc1ccc(cn1)NN 62a_100000210206_100000119030 [0,0,0,0,0,1|3,0,0]=4 1155 B12R1.4 CC(C)Sc1ccc(cn1)NN 62a_100000755011_100000210206 [0,0,0,0,0,1|3,0,0]=4 1156 B12R1.4 CC(C)Sc1ccc(nc1)C#N 62a_100000210206_100000760455 [0,0,0,0,0,1|2,0,1]=4 1157 B12R1.4 CC(C)Sc1ccc(nc1)C=O 62a_100000210206_100000754260 [0,0,0,0,0,1|1,0,2]=4 1158 B12R1.4 CC(C)Sc1ccc(nc1)C=O 62a_100000754260_100000210206 [0,0,0,0,0,1|1,0,2]=4 1159 B12R1.4 CC(C)Sc1ccc(nc1)CN 62a_100000210206_100015188789 [0,0,0,0,0,1|2,0,0]=3 1160 B12R1.4 CC(C)Sc1ccc(nc1)CN 62a_100015188789_100000210206 [0,0,0,0,0,1|2,0,0]=3 1161 B12R1.4 CC(C)Sc1ccc(nc1)CO 62a_100000210206_100000754261 [0,0,0,0,0,1|1,0,0]=2 1162 B12R1.4 CC(C)Sc1ccc(nc1)CO 62a_100000754261_100000210206 [0,0,0,0,0,1|1,0,0]=2 1163 B12R1.4 CC(C)Sc1ccc(nc1)NN 62a_100000210206_100000750576 [0,0,0,0,0,1|3,0,0]=4 1164 B12R1.4 CC(C)Sc1ccc(nc1)NN 62a_100000750576_100000210206 [0,0,0,0,0,1|3,0,0]=4 1165 B12R1.4 CC(C)Sc1cnc(cn1)CO 62a_100000210206_100012002382 [0,0,0,0,0,1|2,0,0]=3 1166 B12R1.4 CC(C)Sc1cnc(cn1)CO 62a_100012002382_100000210206 [0,0,0,0,0,1|2,0,0]=3 1167 B12R1.4 CC(C)Sc1cnc(nc1)CN 62a_100000210206_200016993442 [0,0,0,0,0,1|3,0,0]=4 1168 B12R1.4 CC(C)Sc1cnc(nc1)CN 62a_200016993442_100000210206 [0,0,0,0,0,1|3,0,0]=4 1169 B12R1.4 CC(C)Sc1cnc(nc1)CO 62a_100000210206_100009867226 [0,0,0,0,0,1|2,0,0]=3 1170 B12R1.4 CC(C)Sc1cnc(nc1)CO 62a_100009867226_100000210206 [0,0,0,0,0,1|2,0,0]=3 1171 B12R1.4 CC(C)Sc1ncc(cn1)CO 62a_100000210206_100009855073 [0,0,0,0,0,1|2,0,0]=3 1172 B12R1.4 CC(C)Sc1ncc(cn1)CO 62a_100009855073_100000210206 [0,0,0,0,0,1|2,0,0]=3 1173 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [0,0,0,0,0,1|3,0,0]=4 1174 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [0,0,0,0,0,1|1,0,1]=3 1175 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,0,0,0,0,1|2,0,1]=4 1176 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,0,0,0,0,1|2,0,1]=4 1177 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,0,0,0,0,1|2,0,1]=4 1178 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100000683253_200000210301 [0,0,0,0,0,1|2,0,0]=3 1179 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100102631434_100000747183 [0,0,0,0,0,1|2,0,0]=3 1180 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100000683253_200000210301 [0,0,0,0,0,1|2,0,0]=3 1181 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100102631434_100000747183 [0,0,0,0,0,1|2,0,0]=3 1182 B12R1.4 CCc1ccc(cc1)CN(C)C 270004a_100102631434_100000211036 [0,0,0,0,0,1|2,0,0]=3 1183 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 2230a_100000683253_200025704644 [0,0,0,0,0,1|2,0,0]=3 1184 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 269982a_100000683253_200025704644 [0,0,0,0,0,1|2,0,0]=3 1185 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,0,0,0,0,1|2,0,1]=4 1186 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,0,0,0,0,1|2,0,1]=4 1187 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,0,0,0,0,1|2,0,1]=4 1188 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,0,0,0,0,1|2,0,1]=4 1189 B12R1.4 CCc1ccc(cc1)NC(C)C 2230a_100000211069_100000210206 [0,0,0,0,0,1|1,0,0]=2 1190 B12R1.4 CCc1ccc(cc1)NC(C)C 34a_100000211069_100000210206 [0,0,0,0,0,1|1,0,0]=2 1191 B12R1.4 CCc1ccc(cc1)OC(C)C 34a_100000211359_100000210206 [0,0,0,0,0,1|1,0,0]=2 1192 B12R1.4 CCc1ccc(cc1)OC(C)C 7a_100000211359_100000210206 [0,0,0,0,0,1|1,0,0]=2 1193 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100000210206_100011215824 [0,0,0,0,0,1|1,0,0]=2 1194 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100011215824_100000210206 [0,0,0,0,0,1|1,0,0]=2 1195 B12R1.4 CCc1ccc(cn1)C=C(C)C 271570a_100102525489_100009820025 [0,0,0,0,0,1|2,0,1]=4 1196 B12R1.4 CCc1ccc(cn1)SC(C)C 62a_100000210206_100009820025 [0,0,0,0,0,1|2,0,0]=3 1197 B12R1.4 CCc1ccc(cn1)SC(C)C 62a_100009820025_100000210206 [0,0,0,0,0,1|2,0,0]=3 1198 B12R1.4 CCc1ccc(nc1)C=C(C)C 271570a_100102525489_100009843584 [0,0,0,0,0,1|2,0,1]=4 1199 B12R1.4 CCc1ccc(nc1)CN(C)C 270004a_100102631434_100000069529 [0,0,0,0,0,1|3,0,0]=4 1200 B12R1.4 CCc1ccc(nc1)SC(C)C 62a_100000210206_100009843584 [0,0,0,0,0,1|2,0,0]=3 1201 B12R1.4 CCc1ccc(nc1)SC(C)C 62a_100009843584_100000210206 [0,0,0,0,0,1|2,0,0]=3 1202 B12R1.4 CCc1cnc(nc1)NC(C)C 27a_100138425928_100000033099 [0,0,0,0,0,1|3,0,0]=4 1203 B12R1.4 CCc1cnc(nc1)SC(C)C 62a_100000033099_100000210206 [0,0,0,0,0,1|3,0,0]=4 1204 B12R1.4 CCc1cnc(nc1)SC(C)C 62a_100000210206_100000033099 [0,0,0,0,0,1|3,0,0]=4 1205 B12R1.4 CN(C)Cc1ccc(cc1)C#N 2230a_100000217971_200000210301 [0,0,0,0,0,1|2,0,1]=4 1206 B12R1.4 CN(C)Cc1ccc(cc1)C#N 2230a_100102631434_100000184898 [0,0,0,0,0,1|2,0,1]=4 1207 B12R1.4 CN(C)Cc1ccc(cc1)C#N 269982a_100000217971_200000210301 [0,0,0,0,0,1|2,0,1]=4 1208 B12R1.4 CN(C)Cc1ccc(cc1)C#N 269982a_100102631434_100000184898 [0,0,0,0,0,1|2,0,1]=4 1209 B12R1.4 CN(C)Cc1ccc(cc1)C#N 270004a_100102631434_100000211122 [0,0,0,0,0,1|2,0,1]=4 1210 B12R1.4 CN(C)Cc1ccc(cc1)C#N 34a_100000217971_200000210301 [0,0,0,0,0,1|2,0,1]=4 1211 B12R1.4 CN(C)Cc1ccc(cc1)C=O 2230a_100102631434_100009816848 [0,0,0,0,0,1|1,0,2]=4 1212 B12R1.4 CN(C)Cc1ccc(cc1)C=O 269982a_100102631434_100009816848 [0,0,0,0,0,1|1,0,2]=4 1213 B12R1.4 CN(C)Cc1ccc(cc1)CO 2230a_100102631434_100000067286 [0,0,0,0,0,1|1,0,0]=2 1214 B12R1.4 CN(C)Cc1ccc(cc1)CO 269982a_100102631434_100000067286 [0,0,0,0,0,1|1,0,0]=2 1215 B12R1.4 CN(C)Cc1ccc(cc1)CO 270004a_100102631434_100009832023 [0,0,0,0,0,1|1,0,0]=2 1216 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_100000174694_200025704644 [0,0,0,0,0,1|3,0,0]=4 1217 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000174694 [0,0,0,0,0,1|3,0,0]=4 1218 B12R1.4 CN([13CH3])Cc1ccc(cc1)C#N 2230a_100000217971_200025704644 [0,0,0,0,0,1|2,0,1]=4 1219 B12R1.4 CN([13CH3])Cc1ccc(cc1)C#N 269982a_100000217971_200025704644 [0,0,0,0,0,1|2,0,1]=4 1220 B12R1.4 CN([13CH3])Cc1ccc(cc1)C#N 34a_100000217971_200025704644 [0,0,0,0,0,1|2,0,1]=4 1221 B12R1.4 CNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219623 [0,0,0,0,0,1|2,0,1]=4 1222 B12R1.4 CNc1ccc(cc1)CC(C)C 2230a_100000687309_200000210301 [0,0,0,0,0,1|2,0,0]=3 1223 B12R1.4 CNc1ccc(cc1)CC(C)C 34a_100000687309_200000210301 [0,0,0,0,0,1|2,0,0]=3 1224 B12R1.4 CNc1ccc(cc1)OC(C)C 2230a_100011194259_200000210301 [0,0,0,0,0,1|2,0,0]=3 1225 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100000182112_100000210206 [0,0,0,0,0,1|2,0,0]=3 1226 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100011194259_200000210301 [0,0,0,0,0,1|2,0,0]=3 1227 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000210206_100000743151 [0,0,0,0,0,1|2,0,0]=3 1228 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000743151_100000210206 [0,0,0,0,0,1|2,0,0]=3 1229 B12R1.4 CNc1ccc(cn1)SC(C)C 62a_100000210206_100000741341 [0,0,0,0,0,1|3,0,0]=4 1230 B12R1.4 CNc1ccc(cn1)SC(C)C 62a_100000741341_100000210206 [0,0,0,0,0,1|3,0,0]=4 1231 B12R1.4 CNc1ccc(nc1)SC(C)C 62a_100000210206_100000764248 [0,0,0,0,0,1|3,0,0]=4 1232 B12R1.4 CNc1ccc(nc1)SC(C)C 62a_100000764248_100000210206 [0,0,0,0,0,1|3,0,0]=4 1233 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,0,0,0,0,1|2,0,1]=4 1234 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [0,0,0,0,0,1|3,0,0]=4 1235 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [0,0,0,0,0,1|3,0,0]=4 1236 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [0,0,0,0,0,1|3,0,0]=4 1237 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [0,0,0,0,0,1|3,0,0]=4 1238 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [0,0,0,0,0,1|3,0,0]=4 1239 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [0,0,0,0,0,1|3,0,0]=4 1240 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [0,0,0,0,0,1|3,0,0]=4 1241 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [0,0,0,0,0,1|3,0,0]=4 1242 B12R1.4 COc1ccc(cc1)NC(C)C 34a_100000184247_100000210206 [0,0,0,0,0,1|2,0,0]=3 1243 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000210503_100000210206 [0,0,0,0,0,1|2,0,0]=3 1244 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000757185_200000210301 [0,0,0,0,0,1|2,0,0]=3 1245 B12R1.4 COc1ccc(cc1)OC(C)C 7a_100000757185_200000210301 [0,0,0,0,0,1|2,0,0]=3 1246 B12R1.4 COc1ccc(cc1)SC(C)C 62a_100000210206_100000171711 [0,0,0,0,0,1|2,0,0]=3 1247 B12R1.4 COc1ccc(cn1)OC(C)C 34a_100011934560_100000210206 [0,0,0,0,0,1|3,0,0]=4 1248 B12R1.4 COc1ccc(cn1)SC(C)C 62a_100000047065_100000210206 [0,0,0,0,0,1|3,0,0]=4 1249 B12R1.4 COc1ccc(cn1)SC(C)C 62a_100000210206_100000047065 [0,0,0,0,0,1|3,0,0]=4 1250 B12R1.4 COc1ccc(nc1)OC(C)C 34a_100009858630_200000210301 [0,0,0,0,0,1|3,0,0]=4 1251 B12R1.4 COc1ccc(nc1)OC(C)C 34a_100012002028_100000210206 [0,0,0,0,0,1|3,0,0]=4 1252 B12R1.4 COc1ccc(nc1)SC(C)C 62a_100000210206_100000744180 [0,0,0,0,0,1|3,0,0]=4 1253 B12R1.4 COc1ccc(nc1)SC(C)C 62a_100000755202_100000210206 [0,0,0,0,0,1|3,0,0]=4 1254 B12R1.4 CSc1ccc(cc1)C=C(C)C 271570a_100102525489_100011263217 [0,0,0,0,0,1|2,0,1]=4 1255 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_100011221366_200000210301 [0,0,0,0,0,1|2,0,0]=3 1256 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_200000210301_100011221366 [0,0,0,0,0,1|2,0,0]=3 1257 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_100102631434_100000181263 [0,0,0,0,0,1|3,0,0]=4 1258 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_102495365258_200000210301 [0,0,0,0,0,1|3,0,0]=4 1259 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_100102631434_100011934452 [0,0,0,0,0,1|3,0,0]=4 1260 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_102495365258_200000210301 [0,0,0,0,0,1|3,0,0]=4 1261 B12R1.4 CSc1ccc(cc1)CN(C)C 270004a_100102631434_100000211154 [0,0,0,0,0,1|3,0,0]=4 1262 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_100000174694_200000210301 [0,0,0,0,0,1|3,0,0]=4 1263 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_200000210301_100000174694 [0,0,0,0,0,1|3,0,0]=4 1264 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 2230a_102495365258_200025704644 [0,0,0,0,0,1|3,0,0]=4 1265 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 269982a_102495365258_200025704644 [0,0,0,0,0,1|3,0,0]=4 1266 B12R1.4 CSc1ccc(cc1)NC(C)C 34a_100000212337_100000210206 [0,0,0,0,0,1|2,0,0]=3 1267 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_100000219625_200000210301 [0,0,0,0,0,1|2,0,0]=3 1268 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_200000210301_100000219625 [0,0,0,0,0,1|2,0,0]=3 1269 B12R1.4 CSc1ccc(cc1)OC(C)C 34a_100000211864_100000210206 [0,0,0,0,0,1|2,0,0]=3 1270 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_100000169947_200000210301 [0,0,0,0,0,1|2,0,0]=3 1271 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_200000210301_100000169947 [0,0,0,0,0,1|2,0,0]=3 1272 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100000210206_100011263217 [0,0,0,0,0,1|2,0,0]=3 1273 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100009811894_200000210301 [0,0,0,0,0,1|2,0,0]=3 1274 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100011263217_100000210206 [0,0,0,0,0,1|2,0,0]=3 1275 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_200000210301_100009811894 [0,0,0,0,0,1|2,0,0]=3 1276 B12R1.4 CSc1ccc(cn1)OC(C)C 62a_100012354243_200000210301 [0,0,0,0,0,1|3,0,0]=4 1277 B12R1.4 CSc1ccc(cn1)OC(C)C 62a_200000210301_100012354243 [0,0,0,0,0,1|3,0,0]=4 1278 B12R1.4 CSc1ccc(cn1)SC(C)C 62a_100000210206_100011408404 [0,0,0,0,0,1|3,0,0]=4 1279 B12R1.4 CSc1ccc(cn1)SC(C)C 62a_100011408404_100000210206 [0,0,0,0,0,1|3,0,0]=4 1280 B12R1.4 CSc1ccc(nc1)NC(C)C 27a_100138425928_100009820866 [0,0,0,0,0,1|3,0,0]=4 1281 B12R1.4 CSc1ccc(nc1)OC(C)C 62a_100000688564_200000210301 [0,0,0,0,0,1|3,0,0]=4 1282 B12R1.4 CSc1ccc(nc1)OC(C)C 62a_200000210301_100000688564 [0,0,0,0,0,1|3,0,0]=4 1283 B12R1.4 CSc1ccc(nc1)SC(C)C 62a_100000210206_100009820866 [0,0,0,0,0,1|3,0,0]=4 1284 B12R1.4 CSc1ccc(nc1)SC(C)C 62a_100009820866_100000210206 [0,0,0,0,0,1|3,0,0]=4 1285 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,0,0,0,0,1|1,0,1]=3 1286 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|0,0,2]=4 1287 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|0,0,2]=4 1288 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|0,0,0]=2 1289 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [2,0,0,0,0,0|1,0,0]=3 1290 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [2,0,0,0,0,0|1,0,0]=3 1291 B9R1.1 CCc1cnc(nc1)O 271570a_203496583355_100000033099 [2,0,0,0,0,0|2,0,0]=4 1292 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 1293 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 1294 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [2,0,0,0,0,0|1,0,0]=3 1295 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 1296 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 1297 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [2,0,0,0,0,0|2,0,0]=4 1298 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 1299 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|1,0,0]=3 1300 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,0]=3 1301 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [2,0,0,0,0,0|2,0,0]=4 1302 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [2,0,0,0,0,0|2,0,0]=4 1303 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [2,0,0,0,0,0|2,0,0]=4 1304 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [2,0,0,0,0,0|2,0,0]=4 1305 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [2,0,0,0,0,0|1,0,0]=3 1306 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [2,0,0,0,0,0|1,0,0]=3 1307 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [2,0,0,0,0,0|2,0,0]=4 1308 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [2,0,0,0,0,0|2,0,0]=4 1309 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [2,0,0,0,0,0|2,0,0]=4 1310 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [2,0,0,0,0,0|2,0,0]=4 1311 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [2,0,0,0,0,0|2,0,0]=4 1312 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,0,0,0,0,0|2,0,0]=4 1313 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|1,0,0]=3 1314 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [2,0,0,0,0,0|2,0,0]=4 1315 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [2,0,0,0,0,0|2,0,0]=4 1316 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [2,0,0,0,0,0|2,0,0]=4 1317 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [2,0,0,0,0,0|2,0,0]=4 1318 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [2,0,0,0,0,0|2,0,0]=4 1319 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [2,0,0,0,0,0|2,0,0]=4 1320 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [2,0,0,0,0,0|2,0,0]=4 1321 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [2,0,0,0,0,0|1,0,0]=3 1322 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [2,0,0,0,0,0|1,0,0]=3 1323 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [2,0,0,0,0,0|2,0,0]=4 1324 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [2,0,0,0,0,0|2,0,0]=4 1325 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [2,0,0,0,0,0|2,0,0]=4 1326 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [2,0,0,0,0,0|2,0,0]=4 1327 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 1328 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,0,0,0,0,0|2,0,0]=4 1329 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|1,0,0]=3 1330 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|1,0,0]=3 1331 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [2,0,0,0,0,0|2,0,0]=4 1332 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [2,0,0,0,0,0|2,0,0]=4 1333 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [2,0,0,0,0,0|2,0,0]=4 1334 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 1335 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [2,0,0,0,0,0|2,0,0]=4 1336 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [2,0,0,0,0,0|2,0,0]=4 1337 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [2,0,0,0,0,0|2,0,0]=4 1338 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [2,0,0,0,0,0|2,0,0]=4 1339 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [2,0,0,0,0,0|1,0,0]=3 1340 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [2,0,0,0,0,0|1,0,0]=3 1341 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [2,0,0,0,0,0|1,0,0]=3 1342 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [2,0,0,0,0,0|1,0,0]=3 1343 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [2,0,0,0,0,0|1,0,0]=3 1344 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [2,0,0,0,0,0|2,0,0]=4 1345 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [2,0,0,0,0,0|2,0,0]=4 1346 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [2,0,0,0,0,0|2,0,0]=4 1347 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [2,0,0,0,0,0|2,0,0]=4 1348 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [2,0,0,0,0,0|2,0,0]=4 1349 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [2,0,0,0,0,0|2,0,0]=4 1350 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [2,0,0,0,0,0|2,0,0]=4 1351 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 1352 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,0]=3 1353 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [2,0,0,0,0,0|2,0,0]=4 1354 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [2,0,0,0,0,0|2,0,0]=4 1355 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 1356 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|1,0,1]=4 1357 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|1,0,0]=3 1358 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [2,0,0,0,0,0|2,0,0]=4 1359 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [2,0,0,0,0,0|2,0,0]=4 1360 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,0]=3 1361 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 1362 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 1363 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 1364 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 1365 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [2,0,0,0,0,0|2,0,0]=4 1366 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 1367 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,0]=3 1368 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [2,0,0,0,0,0|2,0,0]=4 1369 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [2,0,0,0,0,0|2,0,0]=4 1370 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [2,0,0,0,0,0|2,0,0]=4 1371 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [2,0,0,0,0,0|2,0,0]=4 1372 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [2,0,0,0,0,0|2,0,0]=4 1373 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [2,0,0,0,0,0|2,0,0]=4 1374 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [2,0,0,0,0,0|2,0,0]=4 1375 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,0,0,0,0,0|2,0,0]=4 1376 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [2,0,0,0,0,0|2,0,0]=4 1377 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [2,0,0,0,0,0|2,0,0]=4 1378 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [2,0,0,0,0,0|2,0,0]=4 1379 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [2,0,0,0,0,0|2,0,0]=4 1380 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [2,0,0,0,0,0|2,0,0]=4 1381 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [2,0,0,0,0,0|2,0,0]=4 1382 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 1383 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,0,0,0,0,0|2,0,0]=4 1384 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|1,0,0]=3 1385 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 1386 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [2,0,0,0,0,0|2,0,0]=4 1387 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|0,0,2]=4 1388 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,1]=4 1389 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [2,0,0,0,0,0|1,0,0]=3 1390 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [2,0,0,0,0,0|1,0,0]=3 1391 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [2,0,0,0,0,0|1,0,0]=3 1392 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [2,0,0,0,0,0|1,0,0]=3 1393 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [2,0,0,0,0,0|1,0,0]=3 1394 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [2,0,0,0,0,0|1,0,0]=3 1395 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,1]=4 1396 B11R1.83 C#Cc1ccc(cc1)CNC 207a_100102657272_100011361452 [1,1,0,0,0,0|1,0,1]=4 1397 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_100015199678_200000210301 [1,1,0,0,0,0|1,0,1]=4 1398 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_106832991635_100000140223 [1,1,0,0,0,0|1,0,1]=4 1399 B11R1.83 C#Cc1ccc(cc1)CNC 270004a_106832991635_100011361452 [1,1,0,0,0,0|1,0,1]=4 1400 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100015199678_200000210301 [1,1,0,0,0,0|1,0,1]=4 1401 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100102657272_100000140223 [1,1,0,0,0,0|1,0,1]=4 1402 B11R1.83 C#Cc1ccc(cc1)CNC 7a_106832991635_100000140223 [1,1,0,0,0,0|1,0,1]=4 1403 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 2230a_100015199678_200025704644 [1,1,0,0,0,0|1,0,1]=4 1404 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 34a_100015199678_200025704644 [1,1,0,0,0,0|1,0,1]=4 1405 B11R1.83 C#Cc1ccc(cc1)COC 34a_100000054647_200000210301 [1,1,0,0,0,0|0,0,2]=4 1406 B11R1.83 C#Cc1ccc(cc1)COC 34a_100138415774_100000140223 [1,1,0,0,0,0|0,0,2]=4 1407 B11R1.83 C#Cc1ccc(cc1)COC 7a_100000054647_200000210301 [1,1,0,0,0,0|0,0,2]=4 1408 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 34a_100000054647_200025704644 [1,1,0,0,0,0|0,0,2]=4 1409 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 7a_100000054647_200025704644 [1,1,0,0,0,0|0,0,2]=4 1410 B11R1.83 C#Cc1ccc(cc1)CSC 62a_200000210301_100000140223 [1,1,0,0,0,0|1,0,1]=4 1411 B11R1.83 C#Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000140223 [1,1,0,0,0,0|1,0,1]=4 1412 B11R1.83 C#Cc1ccc(cc1)NCC 34a_100011215031_100000210202 [1,1,0,0,0,0|1,0,1]=4 1413 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [1,1,0,0,0,0|1,0,1]=4 1414 B11R1.83 C=C=Cc1ccc(cc1)CO 271570a_100015277604_100000690907 [1,1,0,0,0,0|0,0,2]=4 1415 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,1,0,0,0,0|2,0,0]=4 1416 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,1,0,0,0,0|2,0,0]=4 1417 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,1,0,0,0,0|2,0,0]=4 1418 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,1,0,0,0,0|2,0,0]=4 1419 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [1,1,0,0,0,0|1,0,1]=4 1420 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [1,1,0,0,0,0|1,0,1]=4 1421 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [1,1,0,0,0,0|0,0,2]=4 1422 B11R1.83 C=Cc1ccc(cc1)CNC 2230a_106832991635_100000034074 [1,1,0,0,0,0|1,0,1]=4 1423 B11R1.83 C=Cc1ccc(cc1)CNC 26a_100102657272_100000189437 [1,1,0,0,0,0|1,0,1]=4 1424 B11R1.83 C=Cc1ccc(cc1)CNC 270004a_106832991635_100011361436 [1,1,0,0,0,0|1,0,1]=4 1425 B11R1.83 C=Cc1ccc(cc1)CNC 271570a_100011290941_100000180866 [1,1,0,0,0,0|1,0,1]=4 1426 B11R1.83 C=Cc1ccc(cc1)CNC 34a_100102657272_100000034074 [1,1,0,0,0,0|1,0,1]=4 1427 B11R1.83 C=Cc1ccc(cc1)CNC 34a_200011934891_200000210301 [1,1,0,0,0,0|1,0,1]=4 1428 B11R1.83 C=Cc1ccc(cc1)CNC 7a_106832991635_100000034074 [1,1,0,0,0,0|1,0,1]=4 1429 B11R1.83 C=Cc1ccc(cc1)CN[13CH3] 34a_200011934891_200025704644 [1,1,0,0,0,0|1,0,1]=4 1430 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [1,1,0,0,0,0|0,0,2]=4 1431 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [1,1,0,0,0,0|0,0,2]=4 1432 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [1,1,0,0,0,0|0,0,2]=4 1433 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [1,1,0,0,0,0|0,0,2]=4 1434 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [1,1,0,0,0,0|0,0,2]=4 1435 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [1,1,0,0,0,0|0,0,2]=4 1436 B11R1.83 C=Cc1ccc(cc1)CSC 62a_100000034074_200000210301 [1,1,0,0,0,0|1,0,1]=4 1437 B11R1.83 C=Cc1ccc(cc1)CSC 62a_200000210301_100000034074 [1,1,0,0,0,0|1,0,1]=4 1438 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_100000034074_200025704644 [1,1,0,0,0,0|1,0,1]=4 1439 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000034074 [1,1,0,0,0,0|1,0,1]=4 1440 B11R1.83 C=Cc1ccc(cc1)NCC 271570a_100011290941_100000219632 [1,1,0,0,0,0|1,0,1]=4 1441 B11R1.83 C=Cc1ccc(cc1)NCC 34a_100011218248_100000210202 [1,1,0,0,0,0|1,0,1]=4 1442 B11R1.83 C=Cc1ccc(cc1)OCC 271570a_100011290941_100000169946 [1,1,0,0,0,0|1,0,1]=4 1443 B11R1.83 C=Cc1ccc(cc1)OCC 34a_100000189437_100000210202 [1,1,0,0,0,0|1,0,1]=4 1444 B11R1.83 C=Cc1ccc(cc1)OCC 7a_100000189437_100000210202 [1,1,0,0,0,0|1,0,1]=4 1445 B11R1.83 C=Cc1ccc(cc1)SCC 271570a_100011290941_200009811893 [1,1,0,0,0,0|1,0,1]=4 1446 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000210202_100000748128 [1,1,0,0,0,0|1,0,1]=4 1447 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000748128_100000210202 [1,1,0,0,0,0|1,0,1]=4 1448 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [1,1,0,0,0,0|1,0,1]=4 1449 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [1,1,0,0,0,0|1,0,1]=4 1450 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [1,1,0,0,0,0|1,0,1]=4 1451 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [1,1,0,0,0,0|0,0,1]=3 1452 B11R1.83 CC=Cc1ccc(cn1)CO 271570a_100016259895_100009816760 [1,1,0,0,0,0|1,0,1]=4 1453 B11R1.83 CC=Cc1ccc(nc1)CO 271570a_100016259895_100000754261 [1,1,0,0,0,0|1,0,1]=4 1454 B11R1.83 CCCc1ccc(cc1)NC 2230a_100000211780_200000210301 [1,1,0,0,0,0|2,0,0]=4 1455 B11R1.83 CCCc1ccc(cc1)NC 34a_100000211780_200000210301 [1,1,0,0,0,0|2,0,0]=4 1456 B11R1.83 CCCc1ccc(cc1)N[13CH3] 2230a_100000211780_200025704644 [1,1,0,0,0,0|2,0,0]=4 1457 B11R1.83 CCCc1ccc(cc1)N[13CH3] 34a_100000211780_200025704644 [1,1,0,0,0,0|2,0,0]=4 1458 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [1,1,0,0,0,0|2,0,0]=4 1459 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [1,1,0,0,0,0|2,0,0]=4 1460 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [1,1,0,0,0,0|2,0,0]=4 1461 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [1,1,0,0,0,0|2,0,0]=4 1462 B11R1.83 CCCc1ccc(cc1)SC 62a_100000750032_200000210301 [1,1,0,0,0,0|2,0,0]=4 1463 B11R1.83 CCCc1ccc(cc1)SC 62a_200000210301_100000750032 [1,1,0,0,0,0|2,0,0]=4 1464 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_100000750032_200025704644 [1,1,0,0,0,0|2,0,0]=4 1465 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000750032 [1,1,0,0,0,0|2,0,0]=4 1466 B11R1.83 CCNc1ccc(cc1)C#N 34a_100000185469_100000210202 [1,1,0,0,0,0|1,0,1]=4 1467 B11R1.83 CCNc1ccc(cc1)CC 2230a_100000211069_100000210202 [1,1,0,0,0,0|1,0,0]=3 1468 B11R1.83 CCNc1ccc(cc1)CC 34a_100000211069_100000210202 [1,1,0,0,0,0|1,0,0]=3 1469 B11R1.83 CCNc1ccc(cc1)CO 2230a_100011215238_100000210202 [1,1,0,0,0,0|0,0,0]=2 1470 B11R1.83 CCNc1ccc(cc1)CO 34a_100011215238_100000210202 [1,1,0,0,0,0|0,0,0]=2 1471 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [1,1,0,0,0,0|2,0,0]=4 1472 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 1473 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 1474 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 1475 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 1476 B11R1.83 CCNc1ccc(cc1)SC 34a_100000212337_100000210202 [1,1,0,0,0,0|2,0,0]=4 1477 B11R1.83 CCNc1ccc(cc1)SC 62a_200000210301_100000219632 [1,1,0,0,0,0|2,0,0]=4 1478 B11R1.83 CCNc1ccc(cc1)S[13CH3] 62a_200025704644_100000219632 [1,1,0,0,0,0|2,0,0]=4 1479 B11R1.83 CCNc1cnc(cn1)CO 27a_100015525214_100012002382 [1,1,0,0,0,0|2,0,0]=4 1480 B11R1.83 CCNc1ncc(cn1)CO 27a_100015525214_100009855073 [1,1,0,0,0,0|2,0,0]=4 1481 B11R1.83 CCOc1ccc(cc1)C#N 34a_100000210344_100000210202 [1,1,0,0,0,0|1,0,1]=4 1482 B11R1.83 CCOc1ccc(cc1)C#N 7a_100000210344_100000210202 [1,1,0,0,0,0|1,0,1]=4 1483 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [1,1,0,0,0,0|1,0,0]=3 1484 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [1,1,0,0,0,0|1,0,0]=3 1485 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [1,1,0,0,0,0|1,0,0]=3 1486 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [1,1,0,0,0,0|0,0,0]=2 1487 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [1,1,0,0,0,0|2,0,0]=4 1488 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [1,1,0,0,0,0|2,0,0]=4 1489 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [1,1,0,0,0,0|2,0,0]=4 1490 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [1,1,0,0,0,0|2,0,0]=4 1491 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [1,1,0,0,0,0|2,0,0]=4 1492 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [1,1,0,0,0,0|2,0,0]=4 1493 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [1,1,0,0,0,0|2,0,0]=4 1494 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [1,1,0,0,0,0|2,0,0]=4 1495 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [1,1,0,0,0,0|2,0,0]=4 1496 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [1,1,0,0,0,0|2,0,0]=4 1497 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [1,1,0,0,0,0|2,0,0]=4 1498 B11R1.83 CCOc1ccc(cn1)CN 34a_100000757128_100000210202 [1,1,0,0,0,0|2,0,0]=4 1499 B11R1.83 CCOc1ccc(nc1)CN 34a_100020605196_100000210202 [1,1,0,0,0,0|2,0,0]=4 1500 B11R1.83 CCOc1ccc(nc1)CO 34a_103436540053_100000210202 [1,1,0,0,0,0|1,0,0]=3 1501 B11R1.83 CCSc1ccc(cc1)C#N 62a_100000210202_100000184291 [1,1,0,0,0,0|1,0,1]=4 1502 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000188517_100000210202 [1,1,0,0,0,0|0,0,2]=4 1503 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000210202_100000188517 [1,1,0,0,0,0|0,0,2]=4 1504 B11R1.83 CCSc1ccc(cc1)CC 62a_100000210202_100011215824 [1,1,0,0,0,0|1,0,0]=3 1505 B11R1.83 CCSc1ccc(cc1)CC 62a_100011215824_100000210202 [1,1,0,0,0,0|1,0,0]=3 1506 B11R1.83 CCSc1ccc(cc1)CF 62a_100000210202_100010268989 [1,1,0,0,0,0|1,0,0]=3 1507 B11R1.83 CCSc1ccc(cc1)CF 62a_100010268989_100000210202 [1,1,0,0,0,0|1,0,0]=3 1508 B11R1.83 CCSc1ccc(cc1)CN 62a_100000210202_100016989417 [1,1,0,0,0,0|1,0,0]=3 1509 B11R1.83 CCSc1ccc(cc1)CN 62a_100016989417_100000210202 [1,1,0,0,0,0|1,0,0]=3 1510 B11R1.83 CCSc1ccc(cc1)CO 62a_100000210202_100000690907 [1,1,0,0,0,0|0,0,0]=2 1511 B11R1.83 CCSc1ccc(cc1)CO 62a_100000690907_100000210202 [1,1,0,0,0,0|0,0,0]=2 1512 B11R1.83 CCSc1ccc(cc1)NC 34a_100015187087_200000210301 [1,1,0,0,0,0|2,0,0]=4 1513 B11R1.83 CCSc1ccc(cc1)NC 62a_100000210202_100000743151 [1,1,0,0,0,0|2,0,0]=4 1514 B11R1.83 CCSc1ccc(cc1)NC 62a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 1515 B11R1.83 CCSc1ccc(cc1)NN 62a_100000210202_100016988836 [1,1,0,0,0,0|2,0,0]=4 1516 B11R1.83 CCSc1ccc(cc1)NN 62a_100016988836_100000210202 [1,1,0,0,0,0|2,0,0]=4 1517 B11R1.83 CCSc1ccc(cc1)N[13CH3] 34a_100015187087_200025704644 [1,1,0,0,0,0|2,0,0]=4 1518 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [1,1,0,0,0,0|2,0,0]=4 1519 B11R1.83 CCSc1ccc(cc1)SC 62a_100000210202_100011263217 [1,1,0,0,0,0|2,0,0]=4 1520 B11R1.83 CCSc1ccc(cc1)SC 62a_100011263217_100000210202 [1,1,0,0,0,0|2,0,0]=4 1521 B11R1.83 CCSc1ccc(cc1)SC 62a_200000210301_200009811893 [1,1,0,0,0,0|2,0,0]=4 1522 B11R1.83 CCSc1ccc(cc1)SC 62a_200009811893_200000210301 [1,1,0,0,0,0|2,0,0]=4 1523 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200009811893_200025704644 [1,1,0,0,0,0|2,0,0]=4 1524 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811893 [1,1,0,0,0,0|2,0,0]=4 1525 B11R1.83 CCSc1ccc(cn1)CC 62a_100000210202_100009843584 [1,1,0,0,0,0|2,0,0]=4 1526 B11R1.83 CCSc1ccc(cn1)CC 62a_100009843584_100000210202 [1,1,0,0,0,0|2,0,0]=4 1527 B11R1.83 CCSc1ccc(cn1)CN 62a_100000210202_100000735879 [1,1,0,0,0,0|2,0,0]=4 1528 B11R1.83 CCSc1ccc(cn1)CN 62a_100000735879_100000210202 [1,1,0,0,0,0|2,0,0]=4 1529 B11R1.83 CCSc1ccc(cn1)CO 62a_100000210202_100009816760 [1,1,0,0,0,0|1,0,0]=3 1530 B11R1.83 CCSc1ccc(cn1)CO 62a_100009816760_100000210202 [1,1,0,0,0,0|1,0,0]=3 1531 B11R1.83 CCSc1ccc(nc1)CC 62a_100000210202_100009820025 [1,1,0,0,0,0|2,0,0]=4 1532 B11R1.83 CCSc1ccc(nc1)CC 62a_100009820025_100000210202 [1,1,0,0,0,0|2,0,0]=4 1533 B11R1.83 CCSc1ccc(nc1)CN 62a_100000210202_100015188789 [1,1,0,0,0,0|2,0,0]=4 1534 B11R1.83 CCSc1ccc(nc1)CN 62a_100015188789_100000210202 [1,1,0,0,0,0|2,0,0]=4 1535 B11R1.83 CCSc1ccc(nc1)CO 62a_100000210202_100000754261 [1,1,0,0,0,0|1,0,0]=3 1536 B11R1.83 CCSc1ccc(nc1)CO 62a_100000754261_100000210202 [1,1,0,0,0,0|1,0,0]=3 1537 B11R1.83 CCSc1cnc(cn1)CO 62a_100000210202_100012002382 [1,1,0,0,0,0|2,0,0]=4 1538 B11R1.83 CCSc1cnc(cn1)CO 62a_100012002382_100000210202 [1,1,0,0,0,0|2,0,0]=4 1539 B11R1.83 CCSc1cnc(nc1)CO 62a_100000210202_100009867226 [1,1,0,0,0,0|2,0,0]=4 1540 B11R1.83 CCSc1cnc(nc1)CO 62a_100009867226_100000210202 [1,1,0,0,0,0|2,0,0]=4 1541 B11R1.83 CCSc1ncc(cn1)CO 62a_100000210202_100009855073 [1,1,0,0,0,0|2,0,0]=4 1542 B11R1.83 CCSc1ncc(cn1)CO 62a_100009855073_100000210202 [1,1,0,0,0,0|2,0,0]=4 1543 B11R1.83 CCc1ccc(cc1)CNC 207a_100102657272_100000211036 [1,1,0,0,0,0|1,0,0]=3 1544 B11R1.83 CCc1ccc(cc1)CNC 2230a_100000721222_200000210301 [1,1,0,0,0,0|1,0,0]=3 1545 B11R1.83 CCc1ccc(cc1)CNC 2230a_106832991635_100000747183 [1,1,0,0,0,0|1,0,0]=3 1546 B11R1.83 CCc1ccc(cc1)CNC 26a_100102657272_100000211359 [1,1,0,0,0,0|1,0,0]=3 1547 B11R1.83 CCc1ccc(cc1)CNC 270004a_106832991635_100000211036 [1,1,0,0,0,0|1,0,0]=3 1548 B11R1.83 CCc1ccc(cc1)CNC 34a_100000721222_200000210301 [1,1,0,0,0,0|1,0,0]=3 1549 B11R1.83 CCc1ccc(cc1)CNC 34a_100102657272_100000747183 [1,1,0,0,0,0|1,0,0]=3 1550 B11R1.83 CCc1ccc(cc1)CNC 7a_106832991635_100000747183 [1,1,0,0,0,0|1,0,0]=3 1551 B11R1.83 CCc1ccc(cc1)CN[13CH3] 2230a_100000721222_200025704644 [1,1,0,0,0,0|1,0,0]=3 1552 B11R1.83 CCc1ccc(cc1)CN[13CH3] 34a_100000721222_200025704644 [1,1,0,0,0,0|1,0,0]=3 1553 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [1,1,0,0,0,0|0,0,0]=2 1554 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [1,1,0,0,0,0|0,0,0]=2 1555 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [1,1,0,0,0,0|0,0,0]=2 1556 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [1,1,0,0,0,0|0,0,0]=2 1557 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [1,1,0,0,0,0|0,0,0]=2 1558 B11R1.83 CCc1ccc(cc1)CSC 62a_100000757233_200000210301 [1,1,0,0,0,0|0,1,0]=3 1559 B11R1.83 CCc1ccc(cc1)CSC 62a_200000210301_100000747183 [1,1,0,0,0,0|0,1,0]=3 1560 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_100000757233_200025704644 [1,1,0,0,0,0|0,1,0]=3 1561 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_200025704644_100000747183 [1,1,0,0,0,0|0,1,0]=3 1562 B11R1.83 CCc1ccc(cc1)NCF 34a_100000211069_100015361967 [1,1,0,0,0,0|1,0,0]=3 1563 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [1,1,0,0,0,0|1,0,0]=3 1564 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [1,1,0,0,0,0|1,0,0]=3 1565 B11R1.83 CCc1ccc(cc1)SCF 62a_100011215824_100015361967 [1,1,0,0,0,0|1,0,0]=3 1566 B11R1.83 CCc1ccc(cc1)SCF 62a_100015361967_100011215824 [1,1,0,0,0,0|1,0,0]=3 1567 B11R1.83 CCc1ccc(cn1)SCF 62a_100009820025_100015361967 [1,1,0,0,0,0|2,0,0]=4 1568 B11R1.83 CCc1ccc(cn1)SCF 62a_100015361967_100009820025 [1,1,0,0,0,0|2,0,0]=4 1569 B11R1.83 CCc1ccc(nc1)CNC 207a_100102657272_100000069529 [1,1,0,0,0,0|2,0,0]=4 1570 B11R1.83 CCc1ccc(nc1)CNC 2230a_100000069493_200000210301 [1,1,0,0,0,0|2,0,0]=4 1571 B11R1.83 CCc1ccc(nc1)CNC 270004a_106832991635_100000069529 [1,1,0,0,0,0|2,0,0]=4 1572 B11R1.83 CCc1ccc(nc1)CNC 34a_100000069493_200000210301 [1,1,0,0,0,0|2,0,0]=4 1573 B11R1.83 CCc1ccc(nc1)CN[13CH3] 2230a_100000069493_200025704644 [1,1,0,0,0,0|2,0,0]=4 1574 B11R1.83 CCc1ccc(nc1)CN[13CH3] 34a_100000069493_200025704644 [1,1,0,0,0,0|2,0,0]=4 1575 B11R1.83 CCc1ccc(nc1)COC 34a_100000068455_200000210301 [1,1,0,0,0,0|1,0,0]=3 1576 B11R1.83 CCc1ccc(nc1)CO[13CH3] 34a_100000068455_200025704644 [1,1,0,0,0,0|1,0,0]=3 1577 B11R1.83 CCc1ccc(nc1)SCF 62a_100009843584_100015361967 [1,1,0,0,0,0|2,0,0]=4 1578 B11R1.83 CCc1ccc(nc1)SCF 62a_100015361967_100009843584 [1,1,0,0,0,0|2,0,0]=4 1579 B11R1.83 CNCc1ccc(cc1)C#N 207a_100102657272_100000211122 [1,1,0,0,0,0|1,0,1]=4 1580 B11R1.83 CNCc1ccc(cc1)C#N 2230a_106832991635_100000184898 [1,1,0,0,0,0|1,0,1]=4 1581 B11R1.83 CNCc1ccc(cc1)C#N 26a_100102657272_100000210344 [1,1,0,0,0,0|1,0,1]=4 1582 B11R1.83 CNCc1ccc(cc1)C#N 270004a_106832991635_100000211122 [1,1,0,0,0,0|1,0,1]=4 1583 B11R1.83 CNCc1ccc(cc1)C#N 34a_100015207190_200000210301 [1,1,0,0,0,0|1,0,1]=4 1584 B11R1.83 CNCc1ccc(cc1)C#N 34a_100102657272_100000184898 [1,1,0,0,0,0|1,0,1]=4 1585 B11R1.83 CNCc1ccc(cc1)C#N 7a_106832991635_100000184898 [1,1,0,0,0,0|1,0,1]=4 1586 B11R1.83 CNCc1ccc(cc1)C=O 2230a_106832991635_100009816848 [1,1,0,0,0,0|0,0,2]=4 1587 B11R1.83 CNCc1ccc(cc1)C=O 34a_100102657272_100009816848 [1,1,0,0,0,0|0,0,2]=4 1588 B11R1.83 CNCc1ccc(cc1)C=O 7a_106832991635_100009816848 [1,1,0,0,0,0|0,0,2]=4 1589 B11R1.83 CNCc1ccc(cc1)CO 207a_100102657272_100009832023 [1,1,0,0,0,0|0,0,0]=2 1590 B11R1.83 CNCc1ccc(cc1)CO 2230a_100015189231_200000210301 [1,1,0,0,0,0|0,0,0]=2 1591 B11R1.83 CNCc1ccc(cc1)CO 2230a_106832991635_100000067286 [1,1,0,0,0,0|0,0,0]=2 1592 B11R1.83 CNCc1ccc(cc1)CO 26a_100102657272_100000211755 [1,1,0,0,0,0|0,0,0]=2 1593 B11R1.83 CNCc1ccc(cc1)CO 270004a_106832991635_100009832023 [1,1,0,0,0,0|0,0,0]=2 1594 B11R1.83 CNCc1ccc(cc1)CO 34a_100015189231_200000210301 [1,1,0,0,0,0|0,0,0]=2 1595 B11R1.83 CNCc1ccc(cc1)CO 34a_100102657272_100000067286 [1,1,0,0,0,0|0,0,0]=2 1596 B11R1.83 CNCc1ccc(cc1)CO 7a_106832991635_100000067286 [1,1,0,0,0,0|0,0,0]=2 1597 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [1,1,0,0,0,0|2,0,0]=4 1598 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [1,1,0,0,0,0|2,0,0]=4 1599 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [1,1,0,0,0,0|2,0,0]=4 1600 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [1,1,0,0,0,0|2,0,0]=4 1601 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [1,1,0,0,0,0|2,0,0]=4 1602 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 1603 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.83 CNCc1ccc(cc1)SC 207a_100102657272_100000211154 [1,1,0,0,0,0|2,0,0]=4 1607 B11R1.83 CNCc1ccc(cc1)SC 2230a_100000174980_200000210301 [1,1,0,0,0,0|2,0,0]=4 1608 B11R1.83 CNCc1ccc(cc1)SC 2230a_106832991635_100000181263 [1,1,0,0,0,0|2,0,0]=4 1609 B11R1.83 CNCc1ccc(cc1)SC 26a_100102657272_100000211864 [1,1,0,0,0,0|2,0,0]=4 1610 B11R1.83 CNCc1ccc(cc1)SC 270004a_106832991635_100000211154 [1,1,0,0,0,0|2,0,0]=4 1611 B11R1.83 CNCc1ccc(cc1)SC 34a_100000174980_200000210301 [1,1,0,0,0,0|2,0,0]=4 1612 B11R1.83 CNCc1ccc(cc1)SC 34a_100102657272_100000181263 [1,1,0,0,0,0|2,0,0]=4 1613 B11R1.83 CNCc1ccc(cc1)SC 62a_100000180866_200000210301 [1,1,0,0,0,0|2,0,0]=4 1614 B11R1.83 CNCc1ccc(cc1)SC 62a_200000210301_100000180866 [1,1,0,0,0,0|2,0,0]=4 1615 B11R1.83 CNCc1ccc(cc1)SC 7a_106832991635_100000181263 [1,1,0,0,0,0|2,0,0]=4 1616 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_100000180866_200025704644 [1,1,0,0,0,0|2,0,0]=4 1617 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000180866 [1,1,0,0,0,0|2,0,0]=4 1618 B11R1.83 CNc1ccc(cc1)CC#N 34a_100000198999_200000210301 [1,1,0,0,0,0|2,0,0]=4 1619 B11R1.83 CNc1ccc(cc1)CCO 2230a_100011204434_200000210301 [1,1,0,0,0,0|1,0,0]=3 1620 B11R1.83 CNc1ccc(cc1)CCO 34a_100011204434_200000210301 [1,1,0,0,0,0|1,0,0]=3 1621 B11R1.83 CNc1ccc(cc1)COC 34a_100000694113_200000210301 [1,1,0,0,0,0|1,0,0]=3 1622 B11R1.83 CNc1ccc(cc1)CSC 2230a_106726388226_200000210301 [1,1,0,0,0,0|1,1,0]=4 1623 B11R1.83 CNc1ccc(cc1)CSC 34a_106726388226_200000210301 [1,1,0,0,0,0|1,1,0]=4 1624 B11R1.83 CNc1ccc(cc1)CSC 7a_106726388226_200000210301 [1,1,0,0,0,0|1,1,0]=4 1625 B11R1.83 CNc1ccc(cc1)OCF 34a_100000182112_100015361967 [1,1,0,0,0,0|2,0,0]=4 1626 B11R1.83 CNc1ccc(cc1)SCF 62a_100000743151_100015361967 [1,1,0,0,0,0|2,0,0]=4 1627 B11R1.83 CNc1ccc(cc1)SCF 62a_100015361967_100000743151 [1,1,0,0,0,0|2,0,0]=4 1628 B11R1.83 COCc1ccc(cc1)C#N 34a_100000238739_200000210301 [1,1,0,0,0,0|1,0,1]=4 1629 B11R1.83 COCc1ccc(cc1)C#N 34a_100138415774_100000184898 [1,1,0,0,0,0|1,0,1]=4 1630 B11R1.83 COCc1ccc(cc1)C#N 7a_100000238739_200000210301 [1,1,0,0,0,0|1,0,1]=4 1631 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [1,1,0,0,0,0|0,0,2]=4 1632 B11R1.83 COCc1ccc(cc1)CBr 34a_100012353999_200000210301 [1,1,0,0,0,0|1,0,0]=3 1633 B11R1.83 COCc1ccc(cc1)CBr 7a_100012353999_200000210301 [1,1,0,0,0,0|1,0,0]=3 1634 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [1,1,0,0,0,0|1,0,0]=3 1635 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [1,1,0,0,0,0|1,0,0]=3 1636 B11R1.83 COCc1ccc(cc1)CN 34a_100015189231_200000210301 [1,1,0,0,0,0|1,0,0]=3 1637 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [1,1,0,0,0,0|0,0,0]=2 1638 B11R1.83 COCc1ccc(cc1)N[13CH3] 34a_100000694113_200025704644 [1,1,0,0,0,0|1,0,0]=3 1639 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [1,1,0,0,0,0|1,0,0]=3 1640 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [1,1,0,0,0,0|1,0,0]=3 1641 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [1,1,0,0,0,0|1,0,0]=3 1642 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [1,1,0,0,0,0|1,0,0]=3 1643 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [1,1,0,0,0,0|1,0,0]=3 1644 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [1,1,0,0,0,0|1,0,0]=3 1645 B11R1.83 COCc1ccc(cc1)SC 34a_100011215404_200000210301 [1,1,0,0,0,0|1,0,0]=3 1646 B11R1.83 COCc1ccc(cc1)SC 34a_100138415774_100000181263 [1,1,0,0,0,0|1,0,0]=3 1647 B11R1.83 COCc1ccc(cc1)SC 62a_100011493685_200000210301 [1,1,0,0,0,0|1,0,0]=3 1648 B11R1.83 COCc1ccc(cc1)SC 62a_200000210301_100011493685 [1,1,0,0,0,0|1,0,0]=3 1649 B11R1.83 COCc1ccc(cc1)SC 7a_100011215404_200000210301 [1,1,0,0,0,0|1,0,0]=3 1650 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_100011493685_200025704644 [1,1,0,0,0,0|1,0,0]=3 1651 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_200025704644_100011493685 [1,1,0,0,0,0|1,0,0]=3 1652 B11R1.83 COCc1ccc(cn1)OC 34a_100011998694_200000210301 [1,1,0,0,0,0|2,0,0]=4 1653 B11R1.83 COCc1ccc(cn1)OC 34a_100138415774_200000757186 [1,1,0,0,0,0|2,0,0]=4 1654 B11R1.83 COCc1ccc(nc1)OC 34a_100000763316_200000210301 [1,1,0,0,0,0|2,0,0]=4 1655 B11R1.83 COCc1ccc(nc1)OC 34a_100138415774_100020631284 [1,1,0,0,0,0|2,0,0]=4 1656 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [1,1,0,0,0,0|2,0,0]=4 1657 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [1,1,0,0,0,0|2,0,0]=4 1658 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1659 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1660 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,1,0,0,0,0|2,0,0]=4 1661 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [1,1,0,0,0,0|1,0,0]=3 1662 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [1,1,0,0,0,0|1,0,0]=3 1663 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [1,1,0,0,0,0|2,0,0]=4 1664 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [1,1,0,0,0,0|1,0,0]=3 1665 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [1,1,0,0,0,0|1,1,0]=4 1666 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [1,1,0,0,0,0|1,1,0]=4 1667 B11R1.83 COc1ccc(cc1)NCF 34a_100000184247_100015361967 [1,1,0,0,0,0|2,0,0]=4 1668 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [1,1,0,0,0,0|2,0,0]=4 1669 B11R1.83 COc1ccc(cc1)SCF 62a_100015361967_100000171711 [1,1,0,0,0,0|2,0,0]=4 1670 B11R1.83 COc1ccc(cn1)CO[13CH3] 34a_100000763316_200025704644 [1,1,0,0,0,0|2,0,0]=4 1671 B11R1.83 COc1ccc(nc1)CO[13CH3] 34a_100011998694_200025704644 [1,1,0,0,0,0|2,0,0]=4 1672 B11R1.83 CSCc1ccc(cc1)C#N 62a_200000210301_100000184898 [1,1,0,0,0,0|1,0,1]=4 1673 B11R1.83 CSCc1ccc(cc1)C=O 62a_100009816848_200000210301 [1,1,0,0,0,0|0,0,2]=4 1674 B11R1.83 CSCc1ccc(cc1)C=O 62a_200000210301_100009816848 [1,1,0,0,0,0|0,0,2]=4 1675 B11R1.83 CSCc1ccc(cc1)CO 62a_100000067286_200000210301 [1,1,0,0,0,0|0,0,0]=2 1676 B11R1.83 CSCc1ccc(cc1)CO 62a_200000210301_100000067286 [1,1,0,0,0,0|0,0,0]=2 1677 B11R1.83 CSCc1ccc(cc1)N[13CH3] 2230a_106726388226_200025704644 [1,1,0,0,0,0|1,1,0]=4 1678 B11R1.83 CSCc1ccc(cc1)N[13CH3] 34a_106726388226_200025704644 [1,1,0,0,0,0|1,1,0]=4 1679 B11R1.83 CSCc1ccc(cc1)N[13CH3] 7a_106726388226_200025704644 [1,1,0,0,0,0|1,1,0]=4 1680 B11R1.83 CSCc1ccc(cc1)SC 62a_100000181263_200000210301 [1,1,0,0,0,0|1,1,0]=4 1681 B11R1.83 CSCc1ccc(cc1)SC 62a_200000210301_100000181263 [1,1,0,0,0,0|1,1,0]=4 1682 B11R1.83 CSc1ccc(cc1)CC#N 62a_100011217881_200000210301 [1,1,0,0,0,0|2,0,0]=4 1683 B11R1.83 CSc1ccc(cc1)CC#N 62a_200000210301_100011217881 [1,1,0,0,0,0|2,0,0]=4 1684 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [1,1,0,0,0,0|1,0,1]=4 1685 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [1,1,0,0,0,0|1,0,1]=4 1686 B11R1.83 CSc1ccc(cc1)CCN 62a_100000755846_200000210301 [1,1,0,0,0,0|2,0,0]=4 1687 B11R1.83 CSc1ccc(cc1)CCN 62a_200000210301_100000755846 [1,1,0,0,0,0|2,0,0]=4 1688 B11R1.83 CSc1ccc(cc1)CCO 62a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 1689 B11R1.83 CSc1ccc(cc1)CCO 62a_200000210301_100000766406 [1,1,0,0,0,0|1,0,0]=3 1690 B11R1.83 CSc1ccc(cc1)CNN 62a_100016993955_200000210301 [1,1,0,0,0,0|2,0,0]=4 1691 B11R1.83 CSc1ccc(cc1)CNN 62a_200000210301_100016993955 [1,1,0,0,0,0|2,0,0]=4 1692 B11R1.83 CSc1ccc(cc1)CN[13CH3] 2230a_100000174980_200025704644 [1,1,0,0,0,0|2,0,0]=4 1693 B11R1.83 CSc1ccc(cc1)CN[13CH3] 34a_100000174980_200025704644 [1,1,0,0,0,0|2,0,0]=4 1694 B11R1.83 CSc1ccc(cc1)CO[13CH3] 34a_100011215404_200025704644 [1,1,0,0,0,0|1,0,0]=3 1695 B11R1.83 CSc1ccc(cc1)CO[13CH3] 7a_100011215404_200025704644 [1,1,0,0,0,0|1,0,0]=3 1696 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_100000181263_200025704644 [1,1,0,0,0,0|1,1,0]=4 1697 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_200025704644_100000181263 [1,1,0,0,0,0|1,1,0]=4 1698 B11R1.83 CSc1ccc(cc1)NCF 34a_100000212337_100015361967 [1,1,0,0,0,0|2,0,0]=4 1699 B11R1.83 CSc1ccc(cc1)OCF 34a_100000211864_100015361967 [1,1,0,0,0,0|2,0,0]=4 1700 B11R1.83 CSc1ccc(cc1)SCF 62a_100011263217_100015361967 [1,1,0,0,0,0|2,0,0]=4 1701 B11R1.83 CSc1ccc(cc1)SCF 62a_100015361967_100011263217 [1,1,0,0,0,0|2,0,0]=4 1702 B11R1.83 CSc1ccc(cn1)CCO 62a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 1703 B11R1.83 CSc1ccc(cn1)CCO 62a_200000210301_100009880866 [1,1,0,0,0,0|2,0,0]=4 1704 B11R1.83 CSc1ccc(nc1)CCO 62a_100012357577_200000210301 [1,1,0,0,0,0|2,0,0]=4 1705 B11R1.83 CSc1ccc(nc1)CCO 62a_200000210301_100012357577 [1,1,0,0,0,0|2,0,0]=4 1706 B11R1.83 FCSc1ccc(cc1)CF 62a_100010268989_100015361967 [1,1,0,0,0,0|2,0,0]=4 1707 B11R1.83 FCSc1ccc(cc1)CF 62a_100015361967_100010268989 [1,1,0,0,0,0|2,0,0]=4 1708 B11R1.83 NCc1ccc(cc1)OCF 34a_100000185549_100015361967 [1,1,0,0,0,0|2,0,0]=4 1709 B11R1.83 NCc1ccc(cc1)SCF 62a_100015361967_100016989417 [1,1,0,0,0,0|2,0,0]=4 1710 B11R1.83 NCc1ccc(cc1)SCF 62a_100016989417_100015361967 [1,1,0,0,0,0|2,0,0]=4 1711 B11R1.83 OCc1ccc(cc1)NCF 34a_100011215238_100015361967 [1,1,0,0,0,0|1,0,0]=3 1712 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [1,1,0,0,0,0|1,0,0]=3 1713 B11R1.83 OCc1ccc(cc1)SCF 62a_100000690907_100015361967 [1,1,0,0,0,0|1,0,0]=3 1714 B11R1.83 OCc1ccc(cc1)SCF 62a_100015361967_100000690907 [1,1,0,0,0,0|1,0,0]=3 1715 B11R1.83 OCc1ccc(cn1)OCF 34a_103436540053_100015361967 [1,1,0,0,0,0|2,0,0]=4 1716 B11R1.83 OCc1ccc(cn1)SCF 62a_100000754261_100015361967 [1,1,0,0,0,0|2,0,0]=4 1717 B11R1.83 OCc1ccc(cn1)SCF 62a_100015361967_100000754261 [1,1,0,0,0,0|2,0,0]=4 1718 B11R1.83 OCc1ccc(nc1)SCF 62a_100009816760_100015361967 [1,1,0,0,0,0|2,0,0]=4 1719 B11R1.83 OCc1ccc(nc1)SCF 62a_100015361967_100009816760 [1,1,0,0,0,0|2,0,0]=4 1720 B11R1.83 [13CH3]NCc1ccc(cc1)C#N 34a_100015207190_200025704644 [1,1,0,0,0,0|1,0,1]=4 1721 B11R1.83 [13CH3]NCc1ccc(cc1)CO 2230a_100015189231_200025704644 [1,1,0,0,0,0|0,0,0]=2 1722 B11R1.83 [13CH3]NCc1ccc(cc1)CO 34a_100015189231_200025704644 [1,1,0,0,0,0|0,0,0]=2 1723 B11R1.83 [13CH3]Nc1ccc(cc1)CC#N 34a_100000198999_200025704644 [1,1,0,0,0,0|2,0,0]=4 1724 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 2230a_100011204434_200025704644 [1,1,0,0,0,0|1,0,0]=3 1725 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 34a_100011204434_200025704644 [1,1,0,0,0,0|1,0,0]=3 1726 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 34a_100000238739_200025704644 [1,1,0,0,0,0|1,0,1]=4 1727 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 7a_100000238739_200025704644 [1,1,0,0,0,0|1,0,1]=4 1728 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 34a_100012353999_200025704644 [1,1,0,0,0,0|1,0,0]=3 1729 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 7a_100012353999_200025704644 [1,1,0,0,0,0|1,0,0]=3 1730 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [1,1,0,0,0,0|1,0,0]=3 1731 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [1,1,0,0,0,0|1,0,0]=3 1732 B11R1.83 [13CH3]OCc1ccc(cc1)CN 34a_100015189231_200025704644 [1,1,0,0,0,0|1,0,0]=3 1733 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [1,1,0,0,0,0|2,0,0]=4 1734 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [1,1,0,0,0,0|2,0,0]=4 1735 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1736 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1737 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,1,0,0,0,0|2,0,0]=4 1738 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [1,1,0,0,0,0|1,0,0]=3 1739 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [1,1,0,0,0,0|1,0,0]=3 1740 B11R1.83 [13CH3]SCc1ccc(cc1)C#N 62a_200025704644_100000184898 [1,1,0,0,0,0|1,0,1]=4 1741 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_100009816848_200025704644 [1,1,0,0,0,0|0,0,2]=4 1742 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_200025704644_100009816848 [1,1,0,0,0,0|0,0,2]=4 1743 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_100000067286_200025704644 [1,1,0,0,0,0|0,0,0]=2 1744 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_200025704644_100000067286 [1,1,0,0,0,0|0,0,0]=2 1745 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_100011217881_200025704644 [1,1,0,0,0,0|2,0,0]=4 1746 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_200025704644_100011217881 [1,1,0,0,0,0|2,0,0]=4 1747 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [1,1,0,0,0,0|1,0,1]=4 1748 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [1,1,0,0,0,0|1,0,1]=4 1749 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_100000755846_200025704644 [1,1,0,0,0,0|2,0,0]=4 1750 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_200025704644_100000755846 [1,1,0,0,0,0|2,0,0]=4 1751 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 1752 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_200025704644_100000766406 [1,1,0,0,0,0|1,0,0]=3 1753 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_100016993955_200025704644 [1,1,0,0,0,0|2,0,0]=4 1754 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_200025704644_100016993955 [1,1,0,0,0,0|2,0,0]=4 1755 B11R1.83 [13CH3]Sc1ccc(cn1)CCO 62a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 1756 B11R1.83 [13CH3]Sc1ccc(cn1)CCO 62a_200025704644_100009880866 [1,1,0,0,0,0|2,0,0]=4 1757 B11R1.83 [13CH3]Sc1ccc(nc1)CCO 62a_100012357577_200025704644 [1,1,0,0,0,0|2,0,0]=4 1758 B11R1.83 [13CH3]Sc1ccc(nc1)CCO 62a_200025704644_100012357577 [1,1,0,0,0,0|2,0,0]=4 1759 B11R1.279 C=Cc1ccc(c(c1)Br)CO 271570a_100011290941_100010240206 [1,1,0,0,0,0|0,0,2]=4 1760 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [1,1,0,0,0,0|0,0,2]=4 1761 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [1,1,0,0,0,0|1,0,1]=4 1762 B11R1.279 C=Cc1ccc(c(c1)F)CO 271570a_100011290941_100011191541 [1,1,0,0,0,0|0,0,2]=4 1763 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [1,1,0,0,0,0|1,0,1]=4 1764 B11R1.279 C=Cc1ccc(c(c1)N)CO 271570a_100011290941_100000718831 [1,1,0,0,0,0|0,0,2]=4 1765 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [1,1,0,0,0,0|0,0,2]=4 1766 B11R1.279 C=Cc1ccc(cc1Br)CC 271570a_100011290941_200009997437 [1,1,0,0,0,0|1,0,1]=4 1767 B11R1.279 C=Cc1ccc(cc1C)CO 271570a_100011290941_100000718852 [1,1,0,0,0,0|0,0,2]=4 1768 B11R1.279 C=Cc1ccc(cc1Cl)CO 271570a_100011290941_100000718186 [1,1,0,0,0,0|0,0,2]=4 1769 B11R1.279 C=Cc1ccc(cc1F)CC 271570a_100011290941_200010339503 [1,1,0,0,0,0|1,0,1]=4 1770 B11R1.279 C=Cc1ccc(cc1F)CO 271570a_100011290941_100011533735 [1,1,0,0,0,0|0,0,2]=4 1771 B11R1.279 C=Cc1ccc(cc1N)CO 271570a_100011290941_100012347568 [1,1,0,0,0,0|0,0,2]=4 1772 B11R1.279 C=Cc1ccc(cc1O)CO 271570a_100011290941_100000049605 [1,1,0,0,0,0|0,0,2]=4 1773 B11R1.279 CCc1ccc(c(c1)Br)NC 2230a_100012339725_200000210301 [1,1,0,0,0,0|2,0,0]=4 1774 B11R1.279 CCc1ccc(c(c1)Br)NC 34a_100012339725_200000210301 [1,1,0,0,0,0|2,0,0]=4 1775 B11R1.279 CCc1ccc(c(c1)Br)N[13CH3] 2230a_100012339725_200025704644 [1,1,0,0,0,0|2,0,0]=4 1776 B11R1.279 CCc1ccc(c(c1)Br)N[13CH3] 34a_100012339725_200025704644 [1,1,0,0,0,0|2,0,0]=4 1777 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [1,1,0,0,0,0|2,0,0]=4 1778 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [1,1,0,0,0,0|2,0,0]=4 1779 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [1,1,0,0,0,0|2,0,0]=4 1780 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [1,1,0,0,0,0|2,0,0]=4 1781 B11R1.279 CCc1ccc(c(c1)Br)SC 62a_200000210301_200009997437 [1,1,0,0,0,0|2,0,0]=4 1782 B11R1.279 CCc1ccc(c(c1)Br)SC 62a_200009997437_200000210301 [1,1,0,0,0,0|2,0,0]=4 1783 B11R1.279 CCc1ccc(c(c1)Br)S[13CH3] 62a_200009997437_200025704644 [1,1,0,0,0,0|2,0,0]=4 1784 B11R1.279 CCc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_200009997437 [1,1,0,0,0,0|2,0,0]=4 1785 B11R1.279 CCc1ccc(c(c1)C)NC 2230a_100011226020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1786 B11R1.279 CCc1ccc(c(c1)C)NC 34a_100011226020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1787 B11R1.279 CCc1ccc(c(c1)C)NC 7a_100011226020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1788 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 2230a_100011226020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1789 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 34a_100011226020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1790 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 7a_100011226020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1791 B11R1.279 CCc1ccc(c(c1)F)NC 2230a_100016177294_200000210301 [1,1,0,0,0,0|2,0,0]=4 1792 B11R1.279 CCc1ccc(c(c1)F)NC 34a_100016177294_200000210301 [1,1,0,0,0,0|2,0,0]=4 1793 B11R1.279 CCc1ccc(c(c1)F)N[13CH3] 2230a_100016177294_200025704644 [1,1,0,0,0,0|2,0,0]=4 1794 B11R1.279 CCc1ccc(c(c1)F)N[13CH3] 34a_100016177294_200025704644 [1,1,0,0,0,0|2,0,0]=4 1795 B11R1.279 CCc1ccc(c(c1)F)SC 62a_200000210301_200010339503 [1,1,0,0,0,0|2,0,0]=4 1796 B11R1.279 CCc1ccc(c(c1)F)SC 62a_200010339503_200000210301 [1,1,0,0,0,0|2,0,0]=4 1797 B11R1.279 CCc1ccc(c(c1)F)S[13CH3] 62a_200010339503_200025704644 [1,1,0,0,0,0|2,0,0]=4 1798 B11R1.279 CCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200010339503 [1,1,0,0,0,0|2,0,0]=4 1799 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [1,1,0,0,0,0|2,0,0]=4 1800 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [1,1,0,0,0,0|2,0,0]=4 1801 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [1,1,0,0,0,0|2,0,0]=4 1802 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [1,1,0,0,0,0|2,0,0]=4 1803 B11R1.279 CCc1ccc(c(c1)O)C#N 271570a_203496583355_100010295696 [1,1,0,0,0,0|1,0,1]=4 1804 B11R1.279 CCc1ccc(c(c1)O)NC 34a_100000124328_200000210301 [1,1,0,0,0,0|2,0,0]=4 1805 B11R1.279 CCc1ccc(c(c1)O)N[13CH3] 34a_100000124328_200025704644 [1,1,0,0,0,0|2,0,0]=4 1806 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [1,1,0,0,0,0|2,0,0]=4 1807 B11R1.279 CCc1ccc(cc1Cl)NC 2230a_100000766362_200000210301 [1,1,0,0,0,0|2,0,0]=4 1808 B11R1.279 CCc1ccc(cc1Cl)NC 34a_100000766362_200000210301 [1,1,0,0,0,0|2,0,0]=4 1809 B11R1.279 CCc1ccc(cc1Cl)NC 7a_100000766362_200000210301 [1,1,0,0,0,0|2,0,0]=4 1810 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 2230a_100000766362_200025704644 [1,1,0,0,0,0|2,0,0]=4 1811 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 34a_100000766362_200025704644 [1,1,0,0,0,0|2,0,0]=4 1812 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 7a_100000766362_200025704644 [1,1,0,0,0,0|2,0,0]=4 1813 B11R1.279 CCc1ccc(cc1Cl)OC 34a_100009886192_200000210301 [1,1,0,0,0,0|2,0,0]=4 1814 B11R1.279 CCc1ccc(cc1Cl)OC 7a_100009886192_200000210301 [1,1,0,0,0,0|2,0,0]=4 1815 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 34a_100009886192_200025704644 [1,1,0,0,0,0|2,0,0]=4 1816 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 7a_100009886192_200025704644 [1,1,0,0,0,0|2,0,0]=4 1817 B11R1.279 CCc1ccc(cc1F)SC 62a_200000210301_200010071577 [1,1,0,0,0,0|2,0,0]=4 1818 B11R1.279 CCc1ccc(cc1F)SC 62a_200010071577_200000210301 [1,1,0,0,0,0|2,0,0]=4 1819 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200010071577_200025704644 [1,1,0,0,0,0|2,0,0]=4 1820 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200025704644_200010071577 [1,1,0,0,0,0|2,0,0]=4 1821 B11R1.279 CCc1ccc(cc1N)SC 62a_100012354963_200000210301 [1,1,0,0,0,0|2,0,0]=4 1822 B11R1.279 CCc1ccc(cc1N)SC 62a_200000210301_100012354963 [1,1,0,0,0,0|2,0,0]=4 1823 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_100012354963_200025704644 [1,1,0,0,0,0|2,0,0]=4 1824 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_200025704644_100012354963 [1,1,0,0,0,0|2,0,0]=4 1825 B11R1.279 CNc1ccc(c(c1)C)CO 34a_100000102464_200000210301 [1,1,0,0,0,0|1,0,0]=3 1826 B11R1.279 CNc1ccc(c(c1)Cl)CO 34a_100000689119_200000210301 [1,1,0,0,0,0|1,0,0]=3 1827 B11R1.279 CNc1ccc(c(n1)F)CO 27a_100102657272_100010065253 [1,1,0,0,0,0|2,0,0]=4 1828 B11R1.279 CNc1ccc(cc1C)CO 2230a_200011997030_200000210301 [1,1,0,0,0,0|1,0,0]=3 1829 B11R1.279 CNc1ccc(cc1C)CO 34a_200011997030_200000210301 [1,1,0,0,0,0|1,0,0]=3 1830 B11R1.279 CNc1ccc(cc1F)CO 2230a_100011217239_200000210301 [1,1,0,0,0,0|1,0,0]=3 1831 B11R1.279 CNc1ccc(cc1F)CO 34a_100011217239_200000210301 [1,1,0,0,0,0|1,0,0]=3 1832 B11R1.279 COc1ccc(c(c1)Br)CO 34a_100010146404_200000210301 [1,1,0,0,0,0|1,0,0]=3 1833 B11R1.279 COc1ccc(c(c1)Br)CO 7a_100010146404_200000210301 [1,1,0,0,0,0|1,0,0]=3 1834 B11R1.279 COc1ccc(c(c1)Cl)CN 34a_200161156549_200000210301 [1,1,0,0,0,0|2,0,0]=4 1835 B11R1.279 COc1ccc(c(c1)Cl)CO 34a_200000075811_200000210301 [1,1,0,0,0,0|1,0,0]=3 1836 B11R1.279 COc1ccc(c(c1)Cl)CO 7a_200000075811_200000210301 [1,1,0,0,0,0|1,0,0]=3 1837 B11R1.279 COc1ccc(c(c1)F)CO 34a_100000084598_200000210301 [1,1,0,0,0,0|1,0,0]=3 1838 B11R1.279 COc1ccc(c(c1)F)CO 7a_100000084598_200000210301 [1,1,0,0,0,0|1,0,0]=3 1839 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [1,1,0,0,0,0|1,0,0]=3 1840 B11R1.279 COc1ccc(c(n1)O)CO 271570a_203496583355_100009885603 [1,1,0,0,0,0|2,0,0]=4 1841 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [1,1,0,0,0,0|1,0,0]=3 1842 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [1,1,0,0,0,0|1,0,0]=3 1843 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [1,1,0,0,0,0|1,0,0]=3 1844 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [1,1,0,0,0,0|1,0,0]=3 1845 B11R1.279 COc1ccc(cc1F)CN 34a_100000758358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1846 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [1,1,0,0,0,0|1,0,0]=3 1847 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,1,0,0,0,0|2,0,0]=4 1848 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,1,0,0,0,0|1,0,0]=3 1849 B11R1.279 COc1ccc(nc1Br)CO 34a_200009817064_200000210301 [1,1,0,0,0,0|2,0,0]=4 1850 B11R1.279 COc1ccc(nc1Br)CO 7a_200009817064_200000210301 [1,1,0,0,0,0|2,0,0]=4 1851 B11R1.279 COc1ccc(nc1Cl)CO 34a_200000118097_200000210301 [1,1,0,0,0,0|2,0,0]=4 1852 B11R1.279 COc1ccc(nc1Cl)CO 7a_200000118097_200000210301 [1,1,0,0,0,0|2,0,0]=4 1853 B11R1.279 COc1ccc(nc1O)CO 271570a_203496583355_100009842956 [1,1,0,0,0,0|2,0,0]=4 1854 B11R1.279 COc1coc(cc1=O)CO 34a_100000211585_200000210301 [1,1,0,0,0,0|2,0,0]=4 1855 B11R1.279 CSc1cc(c(cn1)CO)C 62a_100010277336_200000210301 [1,1,0,0,0,0|2,0,0]=4 1856 B11R1.279 CSc1cc(c(cn1)CO)C 62a_200000210301_100010277336 [1,1,0,0,0,0|2,0,0]=4 1857 B11R1.279 CSc1cc(c(cn1)CO)N 62a_100009830438_200000210301 [1,1,0,0,0,0|2,0,0]=4 1858 B11R1.279 CSc1cc(c(cn1)CO)N 62a_200000210301_100009830438 [1,1,0,0,0,0|2,0,0]=4 1859 B11R1.279 CSc1ccc(c(c1)Br)CO 62a_100010240206_200000210301 [1,1,0,0,0,0|1,0,0]=3 1860 B11R1.279 CSc1ccc(c(c1)Br)CO 62a_200000210301_100010240206 [1,1,0,0,0,0|1,0,0]=3 1861 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200000210301_200010711859 [1,1,0,0,0,0|2,0,0]=4 1862 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200010711859_200000210301 [1,1,0,0,0,0|2,0,0]=4 1863 B11R1.279 CSc1ccc(c(c1)C)CN 62a_100000753881_200000210301 [1,1,0,0,0,0|2,0,0]=4 1864 B11R1.279 CSc1ccc(c(c1)C)CN 62a_200000210301_100000753881 [1,1,0,0,0,0|2,0,0]=4 1865 B11R1.279 CSc1ccc(c(c1)C)CO 62a_100000748258_200000210301 [1,1,0,0,0,0|1,0,0]=3 1866 B11R1.279 CSc1ccc(c(c1)C)CO 62a_200000210301_100000748258 [1,1,0,0,0,0|1,0,0]=3 1867 B11R1.279 CSc1ccc(c(c1)F)CN 62a_100000754580_200000210301 [1,1,0,0,0,0|2,0,0]=4 1868 B11R1.279 CSc1ccc(c(c1)F)CN 62a_200000210301_100000754580 [1,1,0,0,0,0|2,0,0]=4 1869 B11R1.279 CSc1ccc(c(c1)F)CO 62a_100011191541_200000210301 [1,1,0,0,0,0|1,0,0]=3 1870 B11R1.279 CSc1ccc(c(c1)F)CO 62a_200000210301_100011191541 [1,1,0,0,0,0|1,0,0]=3 1871 B11R1.279 CSc1ccc(c(c1)N)CO 62a_100000718831_200000210301 [1,1,0,0,0,0|1,0,0]=3 1872 B11R1.279 CSc1ccc(c(c1)N)CO 62a_200000210301_100000718831 [1,1,0,0,0,0|1,0,0]=3 1873 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [1,1,0,0,0,0|1,0,0]=3 1874 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [1,1,0,0,0,0|1,0,0]=3 1875 B11R1.279 CSc1ccc(c(n1)F)CO 62a_100009870654_200000210301 [1,1,0,0,0,0|2,0,0]=4 1876 B11R1.279 CSc1ccc(c(n1)F)CO 62a_200000210301_100009870654 [1,1,0,0,0,0|2,0,0]=4 1877 B11R1.279 CSc1ccc(cc1C)CN 62a_100015205234_200000210301 [1,1,0,0,0,0|2,0,0]=4 1878 B11R1.279 CSc1ccc(cc1C)CN 62a_200000210301_100015205234 [1,1,0,0,0,0|2,0,0]=4 1879 B11R1.279 CSc1ccc(cc1C)CO 62a_100000718852_200000210301 [1,1,0,0,0,0|1,0,0]=3 1880 B11R1.279 CSc1ccc(cc1C)CO 62a_200000210301_100000718852 [1,1,0,0,0,0|1,0,0]=3 1881 B11R1.279 CSc1ccc(cc1Cl)CO 62a_100000718186_200000210301 [1,1,0,0,0,0|1,0,0]=3 1882 B11R1.279 CSc1ccc(cc1Cl)CO 62a_200000210301_100000718186 [1,1,0,0,0,0|1,0,0]=3 1883 B11R1.279 CSc1ccc(cc1F)CN 62a_100000755036_200000210301 [1,1,0,0,0,0|2,0,0]=4 1884 B11R1.279 CSc1ccc(cc1F)CN 62a_200000210301_100000755036 [1,1,0,0,0,0|2,0,0]=4 1885 B11R1.279 CSc1ccc(cc1F)CO 62a_100011533735_200000210301 [1,1,0,0,0,0|1,0,0]=3 1886 B11R1.279 CSc1ccc(cc1F)CO 62a_200000210301_100011533735 [1,1,0,0,0,0|1,0,0]=3 1887 B11R1.279 CSc1ccc(cc1N)CO 62a_100012347568_200000210301 [1,1,0,0,0,0|1,0,0]=3 1888 B11R1.279 CSc1ccc(cc1N)CO 62a_200000210301_100012347568 [1,1,0,0,0,0|1,0,0]=3 1889 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [1,1,0,0,0,0|1,0,0]=3 1890 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [1,1,0,0,0,0|1,0,0]=3 1891 B11R1.279 CSc1ccc(nc1C)CO 62a_100010114280_200000210301 [1,1,0,0,0,0|2,0,0]=4 1892 B11R1.279 CSc1ccc(nc1C)CO 62a_200000210301_100010114280 [1,1,0,0,0,0|2,0,0]=4 1893 B11R1.279 CSc1cnc(c(c1)C)CO 62a_100010116297_200000210301 [1,1,0,0,0,0|2,0,0]=4 1894 B11R1.279 CSc1cnc(c(c1)C)CO 62a_200000210301_100010116297 [1,1,0,0,0,0|2,0,0]=4 1895 B11R1.279 CSc1cnc(c(c1)F)CO 62a_100010065252_200000210301 [1,1,0,0,0,0|2,0,0]=4 1896 B11R1.279 CSc1cnc(c(c1)F)CO 62a_200000210301_100010065252 [1,1,0,0,0,0|2,0,0]=4 1897 B11R1.279 CSc1cnc(cc1C)CO 62a_200000210301_200010713146 [1,1,0,0,0,0|2,0,0]=4 1898 B11R1.279 CSc1cnc(cc1C)CO 62a_200010713146_200000210301 [1,1,0,0,0,0|2,0,0]=4 1899 B11R1.279 CSc1ncc(cc1C)CO 62a_200000092119_200000210301 [1,1,0,0,0,0|2,0,0]=4 1900 B11R1.279 CSc1ncc(cc1C)CO 62a_200000210301_200000092119 [1,1,0,0,0,0|2,0,0]=4 1901 B11R1.279 CSc1ncc(cc1F)CO 62a_100010065243_200000210301 [1,1,0,0,0,0|2,0,0]=4 1902 B11R1.279 CSc1ncc(cc1F)CO 62a_200000210301_100010065243 [1,1,0,0,0,0|2,0,0]=4 1903 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200010711859_200025704644 [1,1,0,0,0,0|2,0,0]=4 1904 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200025704644_200010711859 [1,1,0,0,0,0|2,0,0]=4 1905 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_100000753881_200025704644 [1,1,0,0,0,0|2,0,0]=4 1906 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_200025704644_100000753881 [1,1,0,0,0,0|2,0,0]=4 1907 B11R1.279 Cc1cc(ccc1CO)N[13CH3] 34a_100000102464_200025704644 [1,1,0,0,0,0|1,0,0]=3 1908 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_100000748258_200025704644 [1,1,0,0,0,0|1,0,0]=3 1909 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_200025704644_100000748258 [1,1,0,0,0,0|1,0,0]=3 1910 B11R1.279 Cc1cc(ccc1N[13CH3])CO 2230a_200011997030_200025704644 [1,1,0,0,0,0|1,0,0]=3 1911 B11R1.279 Cc1cc(ccc1N[13CH3])CO 34a_200011997030_200025704644 [1,1,0,0,0,0|1,0,0]=3 1912 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [1,1,0,0,0,0|1,0,0]=3 1913 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [1,1,0,0,0,0|1,0,0]=3 1914 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_100015205234_200025704644 [1,1,0,0,0,0|2,0,0]=4 1915 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_200025704644_100015205234 [1,1,0,0,0,0|2,0,0]=4 1916 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_100000718852_200025704644 [1,1,0,0,0,0|1,0,0]=3 1917 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_200025704644_100000718852 [1,1,0,0,0,0|1,0,0]=3 1918 B11R1.279 Cc1cc(cnc1CO)S[13CH3] 62a_100010116297_200025704644 [1,1,0,0,0,0|2,0,0]=4 1919 B11R1.279 Cc1cc(cnc1CO)S[13CH3] 62a_200025704644_100010116297 [1,1,0,0,0,0|2,0,0]=4 1920 B11R1.279 Cc1cc(cnc1S[13CH3])CO 62a_200000092119_200025704644 [1,1,0,0,0,0|2,0,0]=4 1921 B11R1.279 Cc1cc(cnc1S[13CH3])CO 62a_200025704644_200000092119 [1,1,0,0,0,0|2,0,0]=4 1922 B11R1.279 Cc1cc(ncc1CO)S[13CH3] 62a_100010277336_200025704644 [1,1,0,0,0,0|2,0,0]=4 1923 B11R1.279 Cc1cc(ncc1CO)S[13CH3] 62a_200025704644_100010277336 [1,1,0,0,0,0|2,0,0]=4 1924 B11R1.279 Cc1cc(ncc1S[13CH3])CO 62a_200010713146_200025704644 [1,1,0,0,0,0|2,0,0]=4 1925 B11R1.279 Cc1cc(ncc1S[13CH3])CO 62a_200025704644_200010713146 [1,1,0,0,0,0|2,0,0]=4 1926 B11R1.279 Cc1nc(ccc1S[13CH3])CO 62a_100010114280_200025704644 [1,1,0,0,0,0|2,0,0]=4 1927 B11R1.279 Cc1nc(ccc1S[13CH3])CO 62a_200025704644_100010114280 [1,1,0,0,0,0|2,0,0]=4 1928 B11R1.279 N#Cc1ccc(c(c1)O)CO 271570a_203496583355_100010214422 [1,1,0,0,0,0|1,0,1]=4 1929 B11R1.279 N#Cc1ccc(cc1O)CO 271570a_203496583355_100009876504 [1,1,0,0,0,0|1,0,1]=4 1930 B11R1.279 OCc1ccc(c(c1)O)CO 271570a_203496583355_100010881536 [1,1,0,0,0,0|1,0,0]=3 1931 B11R1.279 [13CH3]Nc1ccc(c(c1)Cl)CO 34a_100000689119_200025704644 [1,1,0,0,0,0|1,0,0]=3 1932 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 2230a_100011217239_200025704644 [1,1,0,0,0,0|1,0,0]=3 1933 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 34a_100011217239_200025704644 [1,1,0,0,0,0|1,0,0]=3 1934 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 34a_100010146404_200025704644 [1,1,0,0,0,0|1,0,0]=3 1935 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 7a_100010146404_200025704644 [1,1,0,0,0,0|1,0,0]=3 1936 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CN 34a_200161156549_200025704644 [1,1,0,0,0,0|2,0,0]=4 1937 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 34a_200000075811_200025704644 [1,1,0,0,0,0|1,0,0]=3 1938 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 7a_200000075811_200025704644 [1,1,0,0,0,0|1,0,0]=3 1939 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 34a_100000084598_200025704644 [1,1,0,0,0,0|1,0,0]=3 1940 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 7a_100000084598_200025704644 [1,1,0,0,0,0|1,0,0]=3 1941 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [1,1,0,0,0,0|1,0,0]=3 1942 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [1,1,0,0,0,0|1,0,0]=3 1943 B11R1.279 [13CH3]Oc1ccc(cc1F)CN 34a_100000758358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1944 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [1,1,0,0,0,0|1,0,0]=3 1945 B11R1.279 [13CH3]Oc1ccc(nc1Br)CO 34a_200009817064_200025704644 [1,1,0,0,0,0|2,0,0]=4 1946 B11R1.279 [13CH3]Oc1ccc(nc1Br)CO 7a_200009817064_200025704644 [1,1,0,0,0,0|2,0,0]=4 1947 B11R1.279 [13CH3]Oc1ccc(nc1Cl)CO 34a_200000118097_200025704644 [1,1,0,0,0,0|2,0,0]=4 1948 B11R1.279 [13CH3]Oc1ccc(nc1Cl)CO 7a_200000118097_200025704644 [1,1,0,0,0,0|2,0,0]=4 1949 B11R1.279 [13CH3]Oc1coc(cc1=O)CO 34a_100000211585_200025704644 [1,1,0,0,0,0|2,0,0]=4 1950 B11R1.279 [13CH3]Sc1cc(c(cn1)CO)N 62a_100009830438_200025704644 [1,1,0,0,0,0|2,0,0]=4 1951 B11R1.279 [13CH3]Sc1cc(c(cn1)CO)N 62a_200025704644_100009830438 [1,1,0,0,0,0|2,0,0]=4 1952 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)CO 62a_100010240206_200025704644 [1,1,0,0,0,0|1,0,0]=3 1953 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)CO 62a_200025704644_100010240206 [1,1,0,0,0,0|1,0,0]=3 1954 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CN 62a_100000754580_200025704644 [1,1,0,0,0,0|2,0,0]=4 1955 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CN 62a_200025704644_100000754580 [1,1,0,0,0,0|2,0,0]=4 1956 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CO 62a_100011191541_200025704644 [1,1,0,0,0,0|1,0,0]=3 1957 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CO 62a_200025704644_100011191541 [1,1,0,0,0,0|1,0,0]=3 1958 B11R1.279 [13CH3]Sc1ccc(c(c1)N)CO 62a_100000718831_200025704644 [1,1,0,0,0,0|1,0,0]=3 1959 B11R1.279 [13CH3]Sc1ccc(c(c1)N)CO 62a_200025704644_100000718831 [1,1,0,0,0,0|1,0,0]=3 1960 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [1,1,0,0,0,0|1,0,0]=3 1961 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [1,1,0,0,0,0|1,0,0]=3 1962 B11R1.279 [13CH3]Sc1ccc(c(n1)F)CO 62a_100009870654_200025704644 [1,1,0,0,0,0|2,0,0]=4 1963 B11R1.279 [13CH3]Sc1ccc(c(n1)F)CO 62a_200025704644_100009870654 [1,1,0,0,0,0|2,0,0]=4 1964 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_100000718186_200025704644 [1,1,0,0,0,0|1,0,0]=3 1965 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_200025704644_100000718186 [1,1,0,0,0,0|1,0,0]=3 1966 B11R1.279 [13CH3]Sc1ccc(cc1F)CN 62a_100000755036_200025704644 [1,1,0,0,0,0|2,0,0]=4 1967 B11R1.279 [13CH3]Sc1ccc(cc1F)CN 62a_200025704644_100000755036 [1,1,0,0,0,0|2,0,0]=4 1968 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_100011533735_200025704644 [1,1,0,0,0,0|1,0,0]=3 1969 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_200025704644_100011533735 [1,1,0,0,0,0|1,0,0]=3 1970 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_100012347568_200025704644 [1,1,0,0,0,0|1,0,0]=3 1971 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_200025704644_100012347568 [1,1,0,0,0,0|1,0,0]=3 1972 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [1,1,0,0,0,0|1,0,0]=3 1973 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [1,1,0,0,0,0|1,0,0]=3 1974 B11R1.279 [13CH3]Sc1cnc(c(c1)F)CO 62a_100010065252_200025704644 [1,1,0,0,0,0|2,0,0]=4 1975 B11R1.279 [13CH3]Sc1cnc(c(c1)F)CO 62a_200025704644_100010065252 [1,1,0,0,0,0|2,0,0]=4 1976 B11R1.279 [13CH3]Sc1ncc(cc1F)CO 62a_100010065243_200025704644 [1,1,0,0,0,0|2,0,0]=4 1977 B11R1.279 [13CH3]Sc1ncc(cc1F)CO 62a_200025704644_100010065243 [1,1,0,0,0,0|2,0,0]=4 1978 B11R1.19 CC(C)(C)c1ccc(cc1)O 271570a_203496583355_100011215385 [1,1,0,0,0,0|0,0,0]=2 1979 B11R1.19 CC(C)(C)c1ccc(cn1)O 271570a_203496583355_100010245212 [1,1,0,0,0,0|1,0,0]=3 1980 B11R1.19 CC(C)(C)c1ccc(nc1)O 271570a_203496583355_100000686854 [1,1,0,0,0,0|1,0,0]=3 1981 B11R1.19 CC(C)(N)c1ccc(cc1)O 271570a_203496583355_100000739617 [1,1,0,0,0,0|0,0,0]=2 1982 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [1,1,0,0,0,0|0,0,0]=2 1983 B11R1.19 CC(C)(O)c1ccc(cn1)O 271570a_203496583355_100010246419 [1,1,0,0,0,0|1,0,0]=3 1984 B11R1.19 CC(C)(O)c1ccc(nc1)O 271570a_203496583355_100010080785 [1,1,0,0,0,0|1,0,0]=3 1985 B11R1.19 CC(C)(O)c1ncc(cn1)O 271570a_203496583355_100010115376 [1,1,0,0,0,0|2,0,0]=4 1986 B11R1.19 CC(F)(F)c1ccc(cc1)O 271570a_203496583355_100009817129 [1,1,0,0,0,0|1,0,0]=3 1987 B11R1.19 CC(F)(F)c1ccc(nc1)O 271570a_203496583355_100010208559 [1,1,0,0,0,0|2,0,0]=4 1988 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.19 C[Si](C)(C)c1ccc(cc1)O 271570a_203496583355_100009813420 [1,1,0,0,0,0|0,1,0]=3 1990 B11R1.19 C[Si](C)(C)c1ccc(cn1)O 271570a_203496583355_100010073730 [1,1,0,0,0,0|1,1,0]=4 1991 B11R1.19 Oc1ccc(cc1)C(F)(F)F 271570a_203496583355_100000727837 [1,1,0,0,0,0|2,0,0]=4 1992 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [1,1,0,0,0,0|0,0,2]=4 1993 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [1,1,0,0,0,0|0,0,2]=4 1994 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [1,1,0,0,0,0|0,0,2]=4 1995 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [1,1,0,0,0,0|0,0,2]=4 1996 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [1,1,0,0,0,0|0,0,2]=4 1997 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [1,1,0,0,0,0|0,0,2]=4 1998 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [1,1,0,0,0,0|0,0,2]=4 1999 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [1,1,0,0,0,0|0,0,2]=4 2000 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [1,1,0,0,0,0|0,0,2]=4 2001 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [1,1,0,0,0,0|0,0,2]=4 2002 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [1,1,0,0,0,0|0,0,2]=4 2003 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,1,0,0,0,0|0,0,2]=4 2004 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [1,1,0,0,0,0|1,0,1]=4 2005 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|1,0,1]=4 2006 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|1,0,1]=4 2007 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|1,0,1]=4 2008 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|1,0,1]=4 2009 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|1,0,1]=4 2010 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [1,1,0,0,0,0|1,0,1]=4 2011 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|1,0,1]=4 2012 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [1,1,0,0,0,0|1,0,1]=4 2013 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|1,0,1]=4 2014 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|1,0,1]=4 2015 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [1,1,0,0,0,0|1,0,1]=4 2016 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|1,0,1]=4 2017 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|1,0,1]=4 2018 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|1,0,1]=4 2019 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|1,0,1]=4 2020 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|1,0,1]=4 2021 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|1,0,1]=4 2022 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [1,1,0,0,0,0|0,0,0]=2 2023 B11R1.21 CC(C)c1ccc(c(c1)O)N 271570a_203496583355_100011218581 [1,1,0,0,0,0|1,0,0]=3 2024 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [1,1,0,0,0,0|2,0,0]=4 2025 B11R1.21 CN(C)c1ccc(c(c1)Cl)Cl 2230a_100000219944_200000210301 [1,1,0,0,0,0|2,0,0]=4 2026 B11R1.21 CN(C)c1ccc(c(c1)Cl)Cl 269982a_100000219944_200000210301 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.21 CN(C)c1ccc(c(c1)Cl)Cl 34a_100000219944_200000210301 [1,1,0,0,0,0|2,0,0]=4 2028 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 2230a_100000697440_200000210301 [1,1,0,0,0,0|2,0,0]=4 2029 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 269982a_100000697440_200000210301 [1,1,0,0,0,0|2,0,0]=4 2030 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 34a_100000697440_200000210301 [1,1,0,0,0,0|2,0,0]=4 2031 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 38a_100000697440_200000210301 [1,1,0,0,0,0|2,0,0]=4 2032 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 7a_100000697440_200000210301 [1,1,0,0,0,0|2,0,0]=4 2033 B11R1.21 CN(C)c1ccc(c(c1)F)Br 2230a_100012285320_200000210301 [1,1,0,0,0,0|2,0,0]=4 2034 B11R1.21 CN(C)c1ccc(c(c1)F)Br 269982a_100012285320_200000210301 [1,1,0,0,0,0|2,0,0]=4 2035 B11R1.21 CN(C)c1ccc(c(c1)F)Br 34a_100012285320_200000210301 [1,1,0,0,0,0|2,0,0]=4 2036 B11R1.21 CN(C)c1ccc(c(c1)F)Br 7a_100012285320_200000210301 [1,1,0,0,0,0|2,0,0]=4 2037 B11R1.21 CN(C)c1ccc(c(c1)F)F 2230a_100000221014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2038 B11R1.21 CN(C)c1ccc(c(c1)F)F 269982a_100000221014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2039 B11R1.21 CN(C)c1ccc(c(c1)F)F 34a_100000221014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2040 B11R1.21 CN(C)c1ccc(c(c1)F)F 38a_100000221014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.21 CN(C)c1ccc(c(c1)F)F 7a_100000221014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2042 B11R1.21 CN(C)c1ccc(c(c1)O)N 271570a_203496583355_200013039233 [1,1,0,0,0,0|2,0,0]=4 2043 B11R1.21 CN(C)c1ccn(c(=O)c1)C 27a_100102631434_100009820031 [1,1,0,0,0,0|2,0,0]=4 2044 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000219944_200025704644 [1,1,0,0,0,0|2,0,0]=4 2045 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)Cl 269982a_100000219944_200025704644 [1,1,0,0,0,0|2,0,0]=4 2046 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)Cl 34a_100000219944_200025704644 [1,1,0,0,0,0|2,0,0]=4 2047 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 2230a_100000697440_200025704644 [1,1,0,0,0,0|2,0,0]=4 2048 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 269982a_100000697440_200025704644 [1,1,0,0,0,0|2,0,0]=4 2049 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 34a_100000697440_200025704644 [1,1,0,0,0,0|2,0,0]=4 2050 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 38a_100000697440_200025704644 [1,1,0,0,0,0|2,0,0]=4 2051 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 7a_100000697440_200025704644 [1,1,0,0,0,0|2,0,0]=4 2052 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 2230a_100012285320_200025704644 [1,1,0,0,0,0|2,0,0]=4 2053 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 269982a_100012285320_200025704644 [1,1,0,0,0,0|2,0,0]=4 2054 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 34a_100012285320_200025704644 [1,1,0,0,0,0|2,0,0]=4 2055 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 7a_100012285320_200025704644 [1,1,0,0,0,0|2,0,0]=4 2056 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 2230a_100000221014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2057 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 269982a_100000221014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 34a_100000221014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 38a_100000221014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2060 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 7a_100000221014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2061 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [1,1,0,0,0,0|1,0,0]=3 2062 B11R1.21 C[C@H](N)c1ccc(c(c1)O)F 271570a_203496583355_100000753309 [1,1,0,0,0,0|2,0,0]=4 2063 B11R1.21 Cc1cc(ccc1Br)N(C)C 2230a_100102888905_200000210301 [1,1,0,0,0,0|2,0,0]=4 2064 B11R1.21 Cc1cc(ccc1Br)N(C)C 269982a_100102888905_200000210301 [1,1,0,0,0,0|2,0,0]=4 2065 B11R1.21 Cc1cc(ccc1Br)N(C)C 34a_100102888905_200000210301 [1,1,0,0,0,0|2,0,0]=4 2066 B11R1.21 Cc1cc(ccc1Br)N(C)[13CH3] 2230a_100102888905_200025704644 [1,1,0,0,0,0|2,0,0]=4 2067 B11R1.21 Cc1cc(ccc1Br)N(C)[13CH3] 269982a_100102888905_200025704644 [1,1,0,0,0,0|2,0,0]=4 2068 B11R1.21 Cc1cc(ccc1Br)N(C)[13CH3] 34a_100102888905_200025704644 [1,1,0,0,0,0|2,0,0]=4 2069 B11R1.21 Cc1cc(ccc1Cl)N(C)C 2230a_114849113799_200000210301 [1,1,0,0,0,0|2,0,0]=4 2070 B11R1.21 Cc1cc(ccc1Cl)N(C)C 269982a_114849113799_200000210301 [1,1,0,0,0,0|2,0,0]=4 2071 B11R1.21 Cc1cc(ccc1Cl)N(C)C 34a_114849113799_200000210301 [1,1,0,0,0,0|2,0,0]=4 2072 B11R1.21 Cc1cc(ccc1Cl)N(C)[13CH3] 2230a_114849113799_200025704644 [1,1,0,0,0,0|2,0,0]=4 2073 B11R1.21 Cc1cc(ccc1Cl)N(C)[13CH3] 269982a_114849113799_200025704644 [1,1,0,0,0,0|2,0,0]=4 2074 B11R1.21 Cc1cc(ccc1Cl)N(C)[13CH3] 34a_114849113799_200025704644 [1,1,0,0,0,0|2,0,0]=4 2075 B11R1.21 Cc1cc(ccc1F)N(C)C 2230a_100011756966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2076 B11R1.21 Cc1cc(ccc1F)N(C)C 269982a_100011756966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2077 B11R1.21 Cc1cc(ccc1F)N(C)C 34a_100011756966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2078 B11R1.21 Cc1cc(ccc1F)N(C)C 38a_100011756966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2079 B11R1.21 Cc1cc(ccc1F)N(C)C 7a_100011756966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2080 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 2230a_100011756966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2081 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 269982a_100011756966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2082 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 34a_100011756966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2083 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 38a_100011756966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2084 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 7a_100011756966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2085 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|1,0,1]=4 2086 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [1,1,0,0,0,0|1,0,0]=3 2087 B11R1.21 Cc1cc(ncc1O)C(C)C 271570a_203496583355_100021475462 [1,1,0,0,0,0|1,0,0]=3 2088 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [1,1,0,0,0,0|1,0,1]=4 2089 B11R1.21 Cc1ccc(cc1Br)N(C)C 2230a_100000707694_200000210301 [1,1,0,0,0,0|1,0,0]=3 2090 B11R1.21 Cc1ccc(cc1Br)N(C)C 269982a_100000707694_200000210301 [1,1,0,0,0,0|1,0,0]=3 2091 B11R1.21 Cc1ccc(cc1Br)N(C)C 34a_100000707694_200000210301 [1,1,0,0,0,0|1,0,0]=3 2092 B11R1.21 Cc1ccc(cc1Br)N(C)C 38a_100000707694_200000210301 [1,1,0,0,0,0|1,0,0]=3 2093 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 2230a_100000707694_200025704644 [1,1,0,0,0,0|1,0,0]=3 2094 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 269982a_100000707694_200025704644 [1,1,0,0,0,0|1,0,0]=3 2095 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 34a_100000707694_200025704644 [1,1,0,0,0,0|1,0,0]=3 2096 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 38a_100000707694_200025704644 [1,1,0,0,0,0|1,0,0]=3 2097 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|1,0,1]=4 2098 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [1,1,0,0,0,0|1,0,1]=4 2099 B11R1.21 Cc1ccc(cc1Cl)N(C)C 2230a_100000220120_200000210301 [1,1,0,0,0,0|1,0,0]=3 2100 B11R1.21 Cc1ccc(cc1Cl)N(C)C 269982a_100000220120_200000210301 [1,1,0,0,0,0|1,0,0]=3 2101 B11R1.21 Cc1ccc(cc1Cl)N(C)C 34a_100000220120_200000210301 [1,1,0,0,0,0|1,0,0]=3 2102 B11R1.21 Cc1ccc(cc1Cl)N(C)C 38a_100000220120_200000210301 [1,1,0,0,0,0|1,0,0]=3 2103 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 2230a_100000220120_200025704644 [1,1,0,0,0,0|1,0,0]=3 2104 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 269982a_100000220120_200025704644 [1,1,0,0,0,0|1,0,0]=3 2105 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 34a_100000220120_200025704644 [1,1,0,0,0,0|1,0,0]=3 2106 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 38a_100000220120_200025704644 [1,1,0,0,0,0|1,0,0]=3 2107 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [1,1,0,0,0,0|1,0,1]=4 2108 B11R1.21 Cc1ccc(cc1F)N(C)C 2230a_100160572069_200000210301 [1,1,0,0,0,0|1,0,0]=3 2109 B11R1.21 Cc1ccc(cc1F)N(C)C 269982a_100160572069_200000210301 [1,1,0,0,0,0|1,0,0]=3 2110 B11R1.21 Cc1ccc(cc1F)N(C)C 34a_100160572069_200000210301 [1,1,0,0,0,0|1,0,0]=3 2111 B11R1.21 Cc1ccc(cc1F)N(C)C 38a_100160572069_200000210301 [1,1,0,0,0,0|1,0,0]=3 2112 B11R1.21 Cc1ccc(cc1F)N(C)C 7a_100160572069_200000210301 [1,1,0,0,0,0|1,0,0]=3 2113 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 2230a_100160572069_200025704644 [1,1,0,0,0,0|1,0,0]=3 2114 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 269982a_100160572069_200025704644 [1,1,0,0,0,0|1,0,0]=3 2115 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 34a_100160572069_200025704644 [1,1,0,0,0,0|1,0,0]=3 2116 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 38a_100160572069_200025704644 [1,1,0,0,0,0|1,0,0]=3 2117 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 7a_100160572069_200025704644 [1,1,0,0,0,0|1,0,0]=3 2118 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [1,1,0,0,0,0|1,0,1]=4 2119 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|1,0,1]=4 2120 B11R1.21 Cc1cnc(cc1F)N(C)C 27a_100102631434_100009841206 [1,1,0,0,0,0|2,0,0]=4 2121 B11R1.21 Oc1ccc(cc1F)C(F)F 271570a_203496583355_100010189893 [1,1,0,0,0,0|2,0,0]=4 2122 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|1,0,1]=4 2123 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|1,0,1]=4 2124 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|1,0,1]=4 2125 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|1,0,1]=4 2126 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|1,0,1]=4 2127 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [1,1,0,0,0,0|0,0,1]=3 2128 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [1,1,0,0,0,0|2,0,0]=4 2129 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [1,1,0,0,0,0|1,0,0]=3 2130 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [1,1,0,0,0,0|1,0,0]=3 2131 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [1,1,0,0,0,0|1,0,0]=3 2132 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [1,1,0,0,0,0|1,0,0]=3 2133 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [1,1,0,0,0,0|1,0,0]=3 2134 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 34a_100012353650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2135 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 7a_100012353650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2136 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 34a_200010274204_200025704644 [1,1,0,0,0,0|2,0,0]=4 2137 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 7a_200010274204_200025704644 [1,1,0,0,0,0|2,0,0]=4 2138 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 34a_200012017543_200025704644 [1,1,0,0,0,0|2,0,0]=4 2139 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 7a_200012017543_200025704644 [1,1,0,0,0,0|2,0,0]=4 2140 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [1,1,0,0,0,0|1,0,0]=3 2141 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [1,1,0,0,0,0|1,0,0]=3 2142 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [1,1,0,0,0,0|1,0,0]=3 2143 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [1,1,0,0,0,0|1,0,0]=3 2144 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [1,1,0,0,0,0|1,0,0]=3 2145 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [1,1,0,0,0,0|1,0,0]=3 2146 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|1,0,1]=4 2147 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|1,0,1]=4 2148 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|1,0,1]=4 2149 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,1,0,0,0,0|0,0,0]=2 2150 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|1,0,0]=3 2151 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 2152 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 2153 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [1,1,0,0,0,0|2,0,0]=4 2154 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 2155 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 2156 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 2157 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [1,1,0,0,0,0|1,0,0]=3 2158 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [1,1,0,0,0,0|1,0,0]=3 2159 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [1,1,0,0,0,0|1,0,0]=3 2160 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [1,1,0,0,0,0|1,0,0]=3 2161 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [1,1,0,0,0,0|1,0,0]=3 2162 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [1,1,0,0,0,0|1,0,0]=3 2163 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 2164 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 2165 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 2166 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [1,1,0,0,0,0|2,0,0]=4 2167 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 2168 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 2169 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 2170 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 2171 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [1,1,0,0,0,0|2,0,0]=4 2172 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 2173 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 2174 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 2175 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 2176 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [1,1,0,0,0,0|2,0,0]=4 2177 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 2178 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2179 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [1,1,0,0,0,0|1,0,0]=3 2180 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2181 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [1,1,0,0,0,0|1,0,0]=3 2182 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2183 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 2184 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 2185 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 2186 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [1,1,0,0,0,0|1,0,0]=3 2187 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [1,1,0,0,0,0|1,0,0]=3 2188 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [1,1,0,0,0,0|1,0,0]=3 2189 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 2190 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 2191 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 2192 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 2193 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 2194 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 2195 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2196 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2197 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2198 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,1,0,0,0,0|1,0,0]=3 2199 B11R1.22 CN(CF)c1ccc(cc1)Br 269982a_100000219623_100015361967 [1,1,0,0,0,0|2,0,0]=4 2200 B11R1.22 CN(CF)c1ccc(cc1)Br 34a_100000219623_100015361967 [1,1,0,0,0,0|2,0,0]=4 2201 B11R1.22 CN(CF)c1ccc(cc1)Cl 269982a_100020629279_100015361967 [1,1,0,0,0,0|2,0,0]=4 2202 B11R1.22 CN(CF)c1ccc(cc1)Cl 34a_100020629279_100015361967 [1,1,0,0,0,0|2,0,0]=4 2203 B11R1.22 CN(CF)c1ccc(cc1)F 269982a_100000219829_100015361967 [1,1,0,0,0,0|2,0,0]=4 2204 B11R1.22 CN(CF)c1ccc(cc1)F 34a_100000219829_100015361967 [1,1,0,0,0,0|2,0,0]=4 2205 B11R1.22 CN(CF)c1ccc(cc1)I 269982a_100000743151_100015361967 [1,1,0,0,0,0|2,0,0]=4 2206 B11R1.22 CN(CF)c1ccc(cc1)I 34a_100000743151_100015361967 [1,1,0,0,0,0|2,0,0]=4 2207 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [1,1,0,0,0,0|1,0,0]=3 2208 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [1,1,0,0,0,0|1,0,0]=3 2209 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|1,0,1]=4 2210 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|1,0,1]=4 2211 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|1,0,1]=4 2212 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|1,0,1]=4 2213 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|1,0,1]=4 2214 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|1,0,1]=4 2215 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|1,0,1]=4 2216 B11R1.22 CNC(C)c1cc[n+](cc1)[O-] 269862a_106832991636_100000076990 [1,1,0,0,0,0|1,0,1]=4 2217 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [1,1,0,0,0,0|1,0,0]=3 2218 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [1,1,0,0,0,0|1,0,0]=3 2219 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [1,1,0,0,0,0|1,0,0]=3 2220 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [1,1,0,0,0,0|0,0,0]=2 2221 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [1,1,0,0,0,0|0,0,0]=2 2222 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [1,1,0,0,0,0|0,0,0]=2 2223 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [1,1,0,0,0,0|0,0,0]=2 2224 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [1,1,0,0,0,0|1,0,0]=3 2225 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [1,1,0,0,0,0|1,0,0]=3 2226 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [1,1,0,0,0,0|1,0,0]=3 2227 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [1,1,0,0,0,0|1,0,0]=3 2228 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [1,1,0,0,0,0|1,0,0]=3 2229 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [1,1,0,0,0,0|1,0,0]=3 2230 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [1,1,0,0,0,0|1,0,0]=3 2231 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [1,1,0,0,0,0|1,0,0]=3 2232 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,1,0,0,0,0|0,0,0]=2 2233 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [1,1,0,0,0,0|2,0,0]=4 2234 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [1,1,0,0,0,0|2,0,0]=4 2235 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [1,1,0,0,0,0|2,0,0]=4 2236 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [1,1,0,0,0,0|1,0,0]=3 2237 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [1,1,0,0,0,0|1,0,0]=3 2238 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [1,1,0,0,0,0|2,0,0]=4 2239 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [1,1,0,0,0,0|2,0,0]=4 2240 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [1,1,0,0,0,0|2,0,0]=4 2241 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [1,1,0,0,0,0|2,0,0]=4 2242 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [1,1,0,0,0,0|2,0,0]=4 2243 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [1,1,0,0,0,0|1,0,0]=3 2244 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [1,1,0,0,0,0|1,0,0]=3 2245 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [1,1,0,0,0,0|1,0,0]=3 2246 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [1,1,0,0,0,0|2,0,0]=4 2247 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [1,1,0,0,0,0|2,0,0]=4 2248 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [1,1,0,0,0,0|1,0,0]=3 2249 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [1,1,0,0,0,0|1,0,0]=3 2250 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [1,1,0,0,0,0|1,0,0]=3 2251 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,1,0,0,0,0|0,0,0]=2 2252 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [1,1,0,0,0,0|2,0,0]=4 2253 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [1,1,0,0,0,0|1,0,0]=3 2254 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [1,1,0,0,0,0|0,0,0]=2 2255 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [1,1,0,0,0,0|0,0,0]=2 2256 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [1,1,0,0,0,0|1,0,0]=3 2257 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [1,1,0,0,0,0|1,0,0]=3 2258 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|1,0,1]=4 2259 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [1,1,0,0,0,0|1,0,0]=3 2260 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [1,1,0,0,0,0|1,0,0]=3 2261 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [1,1,0,0,0,0|1,0,0]=3 2262 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|0,0,0]=2 2263 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [1,1,0,0,0,0|1,0,0]=3 2264 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [1,1,0,0,0,0|1,0,0]=3 2265 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [1,1,0,0,0,0|1,0,0]=3 2266 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [1,1,0,0,0,0|1,0,0]=3 2267 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|0,0,0]=2 2268 B11R1.22 COC(C)c1ccc(cn1)Br 34a_100012353650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2269 B11R1.22 COC(C)c1ccc(cn1)Br 7a_100012353650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2270 B11R1.22 COC(C)c1ccc(nc1)Br 34a_200010274204_200000210301 [1,1,0,0,0,0|2,0,0]=4 2271 B11R1.22 COC(C)c1ccc(nc1)Br 7a_200010274204_200000210301 [1,1,0,0,0,0|2,0,0]=4 2272 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [1,1,0,0,0,0|1,0,0]=3 2273 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [1,1,0,0,0,0|1,0,0]=3 2274 B11R1.22 COC(C)c1ccc(nc1)Cl 34a_200012017543_200000210301 [1,1,0,0,0,0|2,0,0]=4 2275 B11R1.22 COC(C)c1ccc(nc1)Cl 7a_200012017543_200000210301 [1,1,0,0,0,0|2,0,0]=4 2276 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [1,1,0,0,0,0|1,0,0]=3 2277 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [1,1,0,0,0,0|1,0,0]=3 2278 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|0,0,0]=2 2279 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|0,0,0]=2 2280 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [1,1,0,0,0,0|1,0,0]=3 2281 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [1,1,0,0,0,0|1,0,0]=3 2282 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [1,1,0,0,0,0|0,0,0]=2 2283 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [1,1,0,0,0,0|0,0,0]=2 2284 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [1,1,0,0,0,0|1,0,0]=3 2285 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [1,1,0,0,0,0|1,0,0]=3 2286 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [1,1,0,0,0,0|1,0,0]=3 2287 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [1,1,0,0,0,0|1,0,0]=3 2288 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [1,1,0,0,0,0|1,0,0]=3 2289 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [1,1,0,0,0,0|1,0,0]=3 2290 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [1,1,0,0,0,0|1,0,0]=3 2291 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [1,1,0,0,0,0|1,0,0]=3 2292 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [1,1,0,0,0,0|1,0,0]=3 2293 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [1,1,0,0,0,0|1,0,0]=3 2294 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,1,0,0,0,0|0,0,0]=2 2295 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [1,1,0,0,0,0|2,0,0]=4 2296 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [1,1,0,0,0,0|1,0,0]=3 2297 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [1,1,0,0,0,0|1,0,0]=3 2298 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,1,0,0,0,0|1,0,1]=4 2299 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [1,1,0,0,0,0|0,0,0]=2 2300 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [1,1,0,0,0,0|0,0,0]=2 2301 B11R1.22 Cc1ccc(cc1)N(C)CF 269982a_100000219977_100015361967 [1,1,0,0,0,0|1,0,0]=3 2302 B11R1.22 Cc1ccc(cc1)N(C)CF 34a_100000219977_100015361967 [1,1,0,0,0,0|1,0,0]=3 2303 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [1,1,0,0,0,0|0,0,0]=2 2304 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [1,1,0,0,0,0|0,0,0]=2 2305 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|0,0,0]=2 2306 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|0,0,0]=2 2307 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [1,1,0,0,0,0|1,0,0]=3 2308 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [1,1,0,0,0,0|1,0,0]=3 2309 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [1,1,0,0,0,0|1,0,0]=3 2310 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [1,1,0,0,0,0|1,0,0]=3 2311 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [1,1,0,0,0,0|1,0,1]=4 2312 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|1,0,0]=3 2313 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|1,0,1]=4 2314 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|1,0,0]=3 2315 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|1,0,1]=4 2316 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|1,0,1]=4 2317 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|1,0,0]=3 2318 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [1,1,0,0,0,0|2,0,0]=4 2319 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [1,1,0,0,0,0|2,0,0]=4 2320 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [1,1,0,0,0,0|2,0,0]=4 2321 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [1,1,0,0,0,0|2,0,0]=4 2322 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [1,1,0,0,0,0|0,0,2]=4 2323 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [1,1,0,0,0,0|0,0,2]=4 2324 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [1,1,0,0,0,0|0,0,2]=4 2325 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [1,1,0,0,0,0|0,0,2]=4 2326 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [1,1,0,0,0,0|0,0,2]=4 2327 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [1,1,0,0,0,0|0,0,2]=4 2328 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [1,1,0,0,0,0|0,0,2]=4 2329 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [1,1,0,0,0,0|0,0,2]=4 2330 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [1,1,0,0,0,0|0,0,2]=4 2331 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [1,1,0,0,0,0|0,0,2]=4 2332 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [1,1,0,0,0,0|0,0,2]=4 2333 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [1,1,0,0,0,0|0,0,2]=4 2334 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [1,1,0,0,0,0|1,0,1]=4 2335 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,1,0,0,0,0|1,0,1]=4 2336 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,1,0,0,0,0|1,0,1]=4 2337 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|1,0,1]=4 2338 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|1,0,1]=4 2339 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [1,1,0,0,0,0|1,0,1]=4 2340 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,1,0,0,0,0|1,0,1]=4 2341 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [1,1,0,0,0,0|1,0,1]=4 2342 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,1,0,0,0,0|1,0,1]=4 2343 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,1,0,0,0,0|1,0,1]=4 2344 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [1,1,0,0,0,0|1,0,1]=4 2345 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,1,0,0,0,0|1,0,1]=4 2346 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,1,0,0,0,0|1,0,1]=4 2347 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,1,0,0,0,0|1,0,1]=4 2348 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|1,0,1]=4 2349 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|1,0,1]=4 2350 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|1,0,1]=4 2351 B11R1.166 CC(N)c1ccc(cc1F)O 271570a_203496583355_100000730447 [1,1,0,0,0,0|1,0,0]=3 2352 B11R1.166 CN(C)c1ccc(cc1Br)Br 269982a_200000221195_200000210301 [1,1,0,0,0,0|2,0,0]=4 2353 B11R1.166 CN(C)c1ccc(cc1Br)Br 34a_200000221195_200000210301 [1,1,0,0,0,0|2,0,0]=4 2354 B11R1.166 CN(C)c1ccc(cc1Br)Cl 269982a_100020633009_200000210301 [1,1,0,0,0,0|2,0,0]=4 2355 B11R1.166 CN(C)c1ccc(cc1Br)Cl 34a_100020633009_200000210301 [1,1,0,0,0,0|2,0,0]=4 2356 B11R1.166 CN(C)c1ccc(cc1Br)F 269982a_100011246292_200000210301 [1,1,0,0,0,0|2,0,0]=4 2357 B11R1.166 CN(C)c1ccc(cc1Br)F 34a_100011246292_200000210301 [1,1,0,0,0,0|2,0,0]=4 2358 B11R1.166 CN(C)c1ccc(cc1Cl)Br 269982a_100000221650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2359 B11R1.166 CN(C)c1ccc(cc1Cl)Br 34a_100000221650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2360 B11R1.166 CN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_200000210301 [1,1,0,0,0,0|2,0,0]=4 2361 B11R1.166 CN(C)c1ccc(cc1Cl)Cl 34a_114849113696_200000210301 [1,1,0,0,0,0|2,0,0]=4 2362 B11R1.166 CN(C)c1ccc(cc1F)Br 2230a_100000743884_200000210301 [1,1,0,0,0,0|2,0,0]=4 2363 B11R1.166 CN(C)c1ccc(cc1F)Br 269982a_100000743884_200000210301 [1,1,0,0,0,0|2,0,0]=4 2364 B11R1.166 CN(C)c1ccc(cc1F)Br 34a_100000743884_200000210301 [1,1,0,0,0,0|2,0,0]=4 2365 B11R1.166 CN(C)c1ccc(cc1F)F 2230a_100020633734_200000210301 [1,1,0,0,0,0|2,0,0]=4 2366 B11R1.166 CN(C)c1ccc(cc1F)F 269982a_100020633734_200000210301 [1,1,0,0,0,0|2,0,0]=4 2367 B11R1.166 CN(C)c1ccc(cc1F)F 34a_100020633734_200000210301 [1,1,0,0,0,0|2,0,0]=4 2368 B11R1.166 CN(C)c1ccc(cc1F)F 38a_100020633734_200000210301 [1,1,0,0,0,0|2,0,0]=4 2369 B11R1.166 CN(C)c1ccc(cc1F)I 269982a_114948340911_200000210301 [1,1,0,0,0,0|2,0,0]=4 2370 B11R1.166 CN(C)c1ccc(cc1F)I 34a_114948340911_200000210301 [1,1,0,0,0,0|2,0,0]=4 2371 B11R1.166 CN(C)c1ccc(cc1F)I 38a_114948340911_200000210301 [1,1,0,0,0,0|2,0,0]=4 2372 B11R1.166 CN(C)c1ccc(cc1N)O 271570a_203496583355_100000737018 [1,1,0,0,0,0|1,0,0]=3 2373 B11R1.166 CN(C)c1ccc(cc1O)F 271570a_203496583355_100012349029 [1,1,0,0,0,0|2,0,0]=4 2374 B11R1.166 CN(C)c1ccc(cc1O)N 271570a_203496583355_100011534197 [1,1,0,0,0,0|2,0,0]=4 2375 B11R1.166 CN([13CH3])c1ccc(cc1Br)Br 269982a_200000221195_200025704644 [1,1,0,0,0,0|2,0,0]=4 2376 B11R1.166 CN([13CH3])c1ccc(cc1Br)Br 34a_200000221195_200025704644 [1,1,0,0,0,0|2,0,0]=4 2377 B11R1.166 CN([13CH3])c1ccc(cc1Br)Cl 269982a_100020633009_200025704644 [1,1,0,0,0,0|2,0,0]=4 2378 B11R1.166 CN([13CH3])c1ccc(cc1Br)Cl 34a_100020633009_200025704644 [1,1,0,0,0,0|2,0,0]=4 2379 B11R1.166 CN([13CH3])c1ccc(cc1Br)F 269982a_100011246292_200025704644 [1,1,0,0,0,0|2,0,0]=4 2380 B11R1.166 CN([13CH3])c1ccc(cc1Br)F 34a_100011246292_200025704644 [1,1,0,0,0,0|2,0,0]=4 2381 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Br 269982a_100000221650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2382 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Br 34a_100000221650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2383 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Cl 269982a_114849113696_200025704644 [1,1,0,0,0,0|2,0,0]=4 2384 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Cl 34a_114849113696_200025704644 [1,1,0,0,0,0|2,0,0]=4 2385 B11R1.166 CN([13CH3])c1ccc(cc1F)Br 2230a_100000743884_200025704644 [1,1,0,0,0,0|2,0,0]=4 2386 B11R1.166 CN([13CH3])c1ccc(cc1F)Br 269982a_100000743884_200025704644 [1,1,0,0,0,0|2,0,0]=4 2387 B11R1.166 CN([13CH3])c1ccc(cc1F)Br 34a_100000743884_200025704644 [1,1,0,0,0,0|2,0,0]=4 2388 B11R1.166 CN([13CH3])c1ccc(cc1F)F 2230a_100020633734_200025704644 [1,1,0,0,0,0|2,0,0]=4 2389 B11R1.166 CN([13CH3])c1ccc(cc1F)F 269982a_100020633734_200025704644 [1,1,0,0,0,0|2,0,0]=4 2390 B11R1.166 CN([13CH3])c1ccc(cc1F)F 34a_100020633734_200025704644 [1,1,0,0,0,0|2,0,0]=4 2391 B11R1.166 CN([13CH3])c1ccc(cc1F)F 38a_100020633734_200025704644 [1,1,0,0,0,0|2,0,0]=4 2392 B11R1.166 CN([13CH3])c1ccc(cc1F)I 269982a_114948340911_200025704644 [1,1,0,0,0,0|2,0,0]=4 2393 B11R1.166 CN([13CH3])c1ccc(cc1F)I 34a_114948340911_200025704644 [1,1,0,0,0,0|2,0,0]=4 2394 B11R1.166 CN([13CH3])c1ccc(cc1F)I 38a_114948340911_200025704644 [1,1,0,0,0,0|2,0,0]=4 2395 B11R1.166 C[C@@H](N)c1ccc(cc1O)F 271570a_203496583355_100025704064 [1,1,0,0,0,0|2,0,0]=4 2396 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|1,0,1]=4 2397 B11R1.166 Cc1cc(ccc1N(C)C)Br 2230a_100000221803_200000210301 [1,1,0,0,0,0|2,0,0]=4 2398 B11R1.166 Cc1cc(ccc1N(C)C)Br 269982a_100000221803_200000210301 [1,1,0,0,0,0|2,0,0]=4 2399 B11R1.166 Cc1cc(ccc1N(C)C)Br 34a_100000221803_200000210301 [1,1,0,0,0,0|2,0,0]=4 2400 B11R1.166 Cc1cc(ccc1N(C)C)Cl 2230a_114849113698_200000210301 [1,1,0,0,0,0|2,0,0]=4 2401 B11R1.166 Cc1cc(ccc1N(C)C)Cl 269982a_114849113698_200000210301 [1,1,0,0,0,0|2,0,0]=4 2402 B11R1.166 Cc1cc(ccc1N(C)C)Cl 34a_114849113698_200000210301 [1,1,0,0,0,0|2,0,0]=4 2403 B11R1.166 Cc1cc(ccc1N(C)C)Cl 38a_114849113698_200000210301 [1,1,0,0,0,0|2,0,0]=4 2404 B11R1.166 Cc1cc(ccc1N(C)C)O 269982a_100161107805_200000210301 [1,1,0,0,0,0|1,0,0]=3 2405 B11R1.166 Cc1cc(ccc1N(C)C)O 34a_100161107805_200000210301 [1,1,0,0,0,0|1,0,0]=3 2406 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Br 2230a_100000221803_200025704644 [1,1,0,0,0,0|2,0,0]=4 2407 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Br 269982a_100000221803_200025704644 [1,1,0,0,0,0|2,0,0]=4 2408 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Br 34a_100000221803_200025704644 [1,1,0,0,0,0|2,0,0]=4 2409 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 2230a_114849113698_200025704644 [1,1,0,0,0,0|2,0,0]=4 2410 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 269982a_114849113698_200025704644 [1,1,0,0,0,0|2,0,0]=4 2411 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 34a_114849113698_200025704644 [1,1,0,0,0,0|2,0,0]=4 2412 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 38a_114849113698_200025704644 [1,1,0,0,0,0|2,0,0]=4 2413 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 269982a_100161107805_200025704644 [1,1,0,0,0,0|1,0,0]=3 2414 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 34a_100161107805_200025704644 [1,1,0,0,0,0|1,0,0]=3 2415 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [1,1,0,0,0,0|1,0,1]=4 2416 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 2230a_100000221369_200000210301 [1,1,0,0,0,0|1,0,0]=3 2417 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 269982a_100000221369_200000210301 [1,1,0,0,0,0|1,0,0]=3 2418 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 34a_100000221369_200000210301 [1,1,0,0,0,0|1,0,0]=3 2419 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 2230a_100000221369_200025704644 [1,1,0,0,0,0|1,0,0]=3 2420 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 269982a_100000221369_200025704644 [1,1,0,0,0,0|1,0,0]=3 2421 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 34a_100000221369_200025704644 [1,1,0,0,0,0|1,0,0]=3 2422 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,1,0,0,0,0|1,0,1]=4 2423 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [1,1,0,0,0,0|1,0,1]=4 2424 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [1,1,0,0,0,0|1,0,1]=4 2425 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [1,1,0,0,0,0|1,0,1]=4 2426 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,1,0,0,0,0|1,0,1]=4 2427 B11R1.166 Cc1ccc(c(c1)O)N(C)C 271570a_203496583355_100012353700 [1,1,0,0,0,0|1,0,0]=3 2428 B11R1.166 Cc1cnc(c(n1)O)C(C)C 271570a_203496583355_100015629263 [1,1,0,0,0,0|2,0,0]=4 2429 B11R1.166 Oc1ccc(c(c1)F)C(F)F 271570a_203496583355_100010169825 [1,1,0,0,0,0|2,0,0]=4 2430 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,1,0,0,0,0|1,0,1]=4 2431 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,1,0,0,0,0|1,0,1]=4 2432 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,1,0,0,0,0|1,0,1]=4 2433 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|1,0,1]=4 2434 B11R1.44 CCc1ccc(s1)C(C)NC 269862a_106832991636_100000198524 [0,1,0,0,1,0|2,0,0]=4 2435 B11R1.124 CC(C)c1cc(no1)CO[13CH3] 34a_100012000513_200025704644 [0,1,0,0,1,0|2,0,0]=4 2436 B11R1.124 CC(C)c1cc(on1)CO[13CH3] 34a_100012001431_200025704644 [0,1,0,0,1,0|2,0,0]=4 2437 B11R1.124 CC(C)c1nc(cs1)CO[13CH3] 7a_200011486425_200025704644 [0,1,0,0,1,0|2,0,0]=4 2438 B11R1.124 CC(C)n1cc(cn1)CO[13CH3] 34a_100011742075_200025704644 [0,1,0,0,1,0|2,0,0]=4 2439 B11R1.124 CC(C)n1cc(cn1)CO[13CH3] 7a_100011742075_200025704644 [0,1,0,0,1,0|2,0,0]=4 2440 B11R1.124 COCc1cc(no1)C(C)C 34a_100012001431_200000210301 [0,1,0,0,1,0|2,0,0]=4 2441 B11R1.124 COCc1cc(on1)C(C)C 34a_100012000513_200000210301 [0,1,0,0,1,0|2,0,0]=4 2442 B11R1.124 COCc1cc(on1)C(C)C 34a_100138415774_100012000507 [0,1,0,0,1,0|2,0,0]=4 2443 B11R1.124 COCc1cnn(c1)C(C)C 34a_100011742075_200000210301 [0,1,0,0,1,0|2,0,0]=4 2444 B11R1.124 COCc1cnn(c1)C(C)C 7a_100011742075_200000210301 [0,1,0,0,1,0|2,0,0]=4 2445 B11R1.124 COCc1csc(n1)C(C)C 34a_100138415774_100000739279 [0,1,0,0,1,0|2,0,0]=4 2446 B11R1.124 COCc1csc(n1)C(C)C 7a_200011486425_200000210301 [0,1,0,0,1,0|2,0,0]=4 2447 B13R1.4 C#Cc1ccc(cc1)NC(C)(C)C 34a_100011215031_100000210625 [0,1,0,0,0,1|1,0,1]=4 2448 B13R1.4 C=Cc1ccc(cc1)NC(C)(C)C 34a_100011218248_100000210625 [0,1,0,0,0,1|1,0,1]=4 2449 B13R1.4 C=Cc1ccc(cc1)OC(C)(C)C 271570a_100011290941_100000701926 [0,1,0,0,0,1|1,0,1]=4 2450 B13R1.4 C=Cc1ccc(cc1)OC(C)(C)C 34a_100000189437_100000210625 [0,1,0,0,0,1|1,0,1]=4 2451 B13R1.4 C=Cc1ccc(cc1)SC(C)(C)C 271570a_100011290941_200009816747 [0,1,0,0,0,1|1,0,1]=4 2452 B13R1.4 C=Cc1ccc(cc1)SC(C)(C)C 62a_100000211941_100000748128 [0,1,0,0,0,1|1,0,1]=4 2453 B13R1.4 C=Cc1ccc(cc1)SC(C)(C)C 62a_100000748128_100000211941 [0,1,0,0,0,1|1,0,1]=4 2454 B13R1.4 CC(C)(C)Nc1ccc(cc1)C#N 34a_100000185469_100000210625 [0,1,0,0,0,1|1,0,1]=4 2455 B13R1.4 CC(C)(C)Nc1ccc(cc1)CO 34a_100011215238_100000210625 [0,1,0,0,0,1|0,0,0]=2 2456 B13R1.4 CC(C)(C)Oc1ccc(cc1)C#N 34a_100000210344_100000210625 [0,1,0,0,0,1|1,0,1]=4 2457 B13R1.4 CC(C)(C)Oc1ccc(cc1)CN 34a_100000185549_100000210625 [0,1,0,0,0,1|1,0,0]=3 2458 B13R1.4 CC(C)(C)Oc1ccc(cc1)CO 34a_100000211755_100000210625 [0,1,0,0,0,1|0,0,0]=2 2459 B13R1.4 CC(C)(C)Oc1ccc(cc1)N[13CH3] 2230a_100000760240_200025704644 [0,1,0,0,0,1|2,0,0]=4 2460 B13R1.4 CC(C)(C)Oc1ccc(cc1)N[13CH3] 34a_100000760240_200025704644 [0,1,0,0,0,1|2,0,0]=4 2461 B13R1.4 CC(C)(C)Oc1ccc(cc1)O[13CH3] 34a_100000061920_200025704644 [0,1,0,0,0,1|2,0,0]=4 2462 B13R1.4 CC(C)(C)Oc1ccc(cc1)O[13CH3] 7a_100000061920_200025704644 [0,1,0,0,0,1|2,0,0]=4 2463 B13R1.4 CC(C)(C)Oc1ccc(cc1)S[13CH3] 62a_100000701926_200025704644 [0,1,0,0,0,1|2,0,0]=4 2464 B13R1.4 CC(C)(C)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000701926 [0,1,0,0,0,1|2,0,0]=4 2465 B13R1.4 CC(C)(C)Oc1ccc(cn1)CN 34a_100000757128_100000210625 [0,1,0,0,0,1|2,0,0]=4 2466 B13R1.4 CC(C)(C)Oc1ccc(nc1)CN 34a_100020605196_100000210625 [0,1,0,0,0,1|2,0,0]=4 2467 B13R1.4 CC(C)(C)Oc1ccc(nc1)CO 34a_103436540053_100000210625 [0,1,0,0,0,1|1,0,0]=3 2468 B13R1.4 CC(C)(C)Sc1ccc(cc1)C#N 62a_100000211941_100000184291 [0,1,0,0,0,1|1,0,1]=4 2469 B13R1.4 CC(C)(C)Sc1ccc(cc1)C=O 62a_100000188517_100000211941 [0,1,0,0,0,1|0,0,2]=4 2470 B13R1.4 CC(C)(C)Sc1ccc(cc1)C=O 62a_100000211941_100000188517 [0,1,0,0,0,1|0,0,2]=4 2471 B13R1.4 CC(C)(C)Sc1ccc(cc1)CF 62a_100000211941_100010268989 [0,1,0,0,0,1|1,0,0]=3 2472 B13R1.4 CC(C)(C)Sc1ccc(cc1)CF 62a_100010268989_100000211941 [0,1,0,0,0,1|1,0,0]=3 2473 B13R1.4 CC(C)(C)Sc1ccc(cc1)CN 62a_100000211941_100016989417 [0,1,0,0,0,1|1,0,0]=3 2474 B13R1.4 CC(C)(C)Sc1ccc(cc1)CN 62a_100016989417_100000211941 [0,1,0,0,0,1|1,0,0]=3 2475 B13R1.4 CC(C)(C)Sc1ccc(cc1)CO 62a_100000211941_100000690907 [0,1,0,0,0,1|0,0,0]=2 2476 B13R1.4 CC(C)(C)Sc1ccc(cc1)CO 62a_100000690907_100000211941 [0,1,0,0,0,1|0,0,0]=2 2477 B13R1.4 CC(C)(C)Sc1ccc(cc1)NN 62a_100000211941_100016988836 [0,1,0,0,0,1|2,0,0]=4 2478 B13R1.4 CC(C)(C)Sc1ccc(cc1)NN 62a_100016988836_100000211941 [0,1,0,0,0,1|2,0,0]=4 2479 B13R1.4 CC(C)(C)Sc1ccc(cc1)S[13CH3] 62a_200009816747_200025704644 [0,1,0,0,0,1|2,0,0]=4 2480 B13R1.4 CC(C)(C)Sc1ccc(cc1)S[13CH3] 62a_200025704644_200009816747 [0,1,0,0,0,1|2,0,0]=4 2481 B13R1.4 CC(C)(C)Sc1ccc(cn1)CN 62a_100000211941_100000735879 [0,1,0,0,0,1|2,0,0]=4 2482 B13R1.4 CC(C)(C)Sc1ccc(cn1)CN 62a_100000735879_100000211941 [0,1,0,0,0,1|2,0,0]=4 2483 B13R1.4 CC(C)(C)Sc1ccc(cn1)CO 62a_100000211941_100009816760 [0,1,0,0,0,1|1,0,0]=3 2484 B13R1.4 CC(C)(C)Sc1ccc(cn1)CO 62a_100009816760_100000211941 [0,1,0,0,0,1|1,0,0]=3 2485 B13R1.4 CC(C)(C)Sc1ccc(nc1)CN 62a_100000211941_100015188789 [0,1,0,0,0,1|2,0,0]=4 2486 B13R1.4 CC(C)(C)Sc1ccc(nc1)CN 62a_100015188789_100000211941 [0,1,0,0,0,1|2,0,0]=4 2487 B13R1.4 CC(C)(C)Sc1ccc(nc1)CO 62a_100000211941_100000754261 [0,1,0,0,0,1|1,0,0]=3 2488 B13R1.4 CC(C)(C)Sc1ccc(nc1)CO 62a_100000754261_100000211941 [0,1,0,0,0,1|1,0,0]=3 2489 B13R1.4 CC(C)(C)Sc1cnc(cn1)CO 62a_100000211941_100012002382 [0,1,0,0,0,1|2,0,0]=4 2490 B13R1.4 CC(C)(C)Sc1cnc(cn1)CO 62a_100012002382_100000211941 [0,1,0,0,0,1|2,0,0]=4 2491 B13R1.4 CC(C)(C)Sc1cnc(nc1)CO 62a_100000211941_100009867226 [0,1,0,0,0,1|2,0,0]=4 2492 B13R1.4 CC(C)(C)Sc1cnc(nc1)CO 62a_100009867226_100000211941 [0,1,0,0,0,1|2,0,0]=4 2493 B13R1.4 CC(C)(C)Sc1ncc(cn1)CO 62a_100000211941_100009855073 [0,1,0,0,0,1|2,0,0]=4 2494 B13R1.4 CC(C)(C)Sc1ncc(cn1)CO 62a_100009855073_100000211941 [0,1,0,0,0,1|2,0,0]=4 2495 B13R1.4 CCc1ccc(cc1)NC(C)(C)C 34a_100000211069_100000210625 [0,1,0,0,0,1|1,0,0]=3 2496 B13R1.4 CCc1ccc(cc1)OC(C)(C)C 34a_100000211359_100000210625 [0,1,0,0,0,1|1,0,0]=3 2497 B13R1.4 CCc1ccc(cc1)SC(C)(C)C 62a_100000211941_100011215824 [0,1,0,0,0,1|1,0,0]=3 2498 B13R1.4 CCc1ccc(cc1)SC(C)(C)C 62a_100011215824_100000211941 [0,1,0,0,0,1|1,0,0]=3 2499 B13R1.4 CCc1ccc(cn1)SC(C)(C)C 62a_100000211941_100009820025 [0,1,0,0,0,1|2,0,0]=4 2500 B13R1.4 CCc1ccc(cn1)SC(C)(C)C 62a_100009820025_100000211941 [0,1,0,0,0,1|2,0,0]=4 2501 B13R1.4 CCc1ccc(nc1)SC(C)(C)C 62a_100000211941_100009843584 [0,1,0,0,0,1|2,0,0]=4 2502 B13R1.4 CCc1ccc(nc1)SC(C)(C)C 62a_100009843584_100000211941 [0,1,0,0,0,1|2,0,0]=4 2503 B13R1.4 CNc1ccc(cc1)OC(C)(C)C 2230a_100000760240_200000210301 [0,1,0,0,0,1|2,0,0]=4 2504 B13R1.4 CNc1ccc(cc1)OC(C)(C)C 34a_100000182112_100000210625 [0,1,0,0,0,1|2,0,0]=4 2505 B13R1.4 CNc1ccc(cc1)OC(C)(C)C 34a_100000760240_200000210301 [0,1,0,0,0,1|2,0,0]=4 2506 B13R1.4 CNc1ccc(cc1)SC(C)(C)C 62a_100000211941_100000743151 [0,1,0,0,0,1|2,0,0]=4 2507 B13R1.4 CNc1ccc(cc1)SC(C)(C)C 62a_100000743151_100000211941 [0,1,0,0,0,1|2,0,0]=4 2508 B13R1.4 COc1ccc(cc1)NC(C)(C)C 34a_100000184247_100000210625 [0,1,0,0,0,1|2,0,0]=4 2509 B13R1.4 COc1ccc(cc1)OC(C)(C)C 34a_100000061920_200000210301 [0,1,0,0,0,1|2,0,0]=4 2510 B13R1.4 COc1ccc(cc1)OC(C)(C)C 34a_100000210503_100000210625 [0,1,0,0,0,1|2,0,0]=4 2511 B13R1.4 COc1ccc(cc1)OC(C)(C)C 7a_100000061920_200000210301 [0,1,0,0,0,1|2,0,0]=4 2512 B13R1.4 COc1ccc(cc1)SC(C)(C)C 62a_100000211941_100000171711 [0,1,0,0,0,1|2,0,0]=4 2513 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)CO 40a_100011215238_100000738038 [0,1,0,0,0,1|2,0,0]=4 2514 B13R1.4 CSc1ccc(cc1)NC(C)(C)C 34a_100000212337_100000210625 [0,1,0,0,0,1|2,0,0]=4 2515 B13R1.4 CSc1ccc(cc1)OC(C)(C)C 34a_100000211864_100000210625 [0,1,0,0,0,1|2,0,0]=4 2516 B13R1.4 CSc1ccc(cc1)OC(C)(C)C 62a_100000701926_200000210301 [0,1,0,0,0,1|2,0,0]=4 2517 B13R1.4 CSc1ccc(cc1)OC(C)(C)C 62a_200000210301_100000701926 [0,1,0,0,0,1|2,0,0]=4 2518 B13R1.4 CSc1ccc(cc1)SC(C)(C)C 62a_100000211941_100011263217 [0,1,0,0,0,1|2,0,0]=4 2519 B13R1.4 CSc1ccc(cc1)SC(C)(C)C 62a_100011263217_100000211941 [0,1,0,0,0,1|2,0,0]=4 2520 B13R1.4 CSc1ccc(cc1)SC(C)(C)C 62a_200000210301_200009816747 [0,1,0,0,0,1|2,0,0]=4 2521 B13R1.4 CSc1ccc(cc1)SC(C)(C)C 62a_200009816747_200000210301 [0,1,0,0,0,1|2,0,0]=4 2522 B13R1.4 OCc1ccc(cc1)NC(F)(F)F 34a_100011215238_200103152311 [0,1,0,0,0,1|2,0,0]=4 2523 B13R1.4 OCc1ccc(cc1)OC(F)(F)F 34a_100000211755_200103152311 [0,1,0,0,0,1|2,0,0]=4 2524 B13R1.4 OCc1ccc(cc1)SC(F)(F)F 62a_100000690907_200103152311 [0,1,0,0,0,1|2,0,0]=4 2525 B13R1.4 OCc1ccc(cc1)SC(F)(F)F 62a_200000243211_100000690907 [0,1,0,0,0,1|2,0,0]=4 2526 B13R1.5 C#CC(C)Nc1ccc(cc1)CC 34a_100000211069_200000035995 [0,1,0,0,0,1|1,0,1]=4 2527 B13R1.5 C#CC(C)Nc1ccc(cc1)CO 34a_100011215238_200000035995 [0,1,0,0,0,1|0,0,1]=3 2528 B13R1.5 C#CC(C)Oc1ccc(cc1)CC 34a_100000211359_200000035995 [0,1,0,0,0,1|1,0,1]=4 2529 B13R1.5 C#CC(C)Oc1ccc(cc1)CN 34a_100000185549_200000035995 [0,1,0,0,0,1|1,0,1]=4 2530 B13R1.5 C#CC(C)Oc1ccc(cc1)CO 34a_100000211755_200000035995 [0,1,0,0,0,1|0,0,1]=3 2531 B13R1.5 C#CC(C)Oc1ccc(nc1)CO 34a_103436540053_200000035995 [0,1,0,0,0,1|1,0,1]=4 2532 B13R1.5 C#CC(C)Sc1ccc(cc1)CC 62a_200000035995_100011215824 [0,1,0,0,0,1|1,0,1]=4 2533 B13R1.5 C#CC(C)Sc1ccc(cc1)CF 62a_200000035995_100010268989 [0,1,0,0,0,1|1,0,1]=4 2534 B13R1.5 C#CC(C)Sc1ccc(cc1)CN 62a_200000035995_100016989417 [0,1,0,0,0,1|1,0,1]=4 2535 B13R1.5 C#CC(C)Sc1ccc(cc1)CO 62a_200000035995_100000690907 [0,1,0,0,0,1|0,0,1]=3 2536 B13R1.5 C#CC(C)Sc1ccc(cn1)CO 62a_200000035995_100009816760 [0,1,0,0,0,1|1,0,1]=4 2537 B13R1.5 C#CC(C)Sc1ccc(nc1)CO 62a_200000035995_100000754261 [0,1,0,0,0,1|1,0,1]=4 2538 B13R1.5 C#Cc1ccc(cc1)NC(C)CC 34a_100011215031_100011215416 [0,1,0,0,0,1|1,0,1]=4 2539 B13R1.5 C#Cc1ccc(cc1)NC(C)CO 34a_100011215031_100012180447 [0,1,0,0,0,1|1,0,1]=4 2540 B13R1.5 C=CC(C)Sc1ccc(cc1)CC 62a_100011215867_100011215824 [0,1,0,0,0,1|1,0,1]=4 2541 B13R1.5 C=CC(C)Sc1ccc(cc1)CF 62a_100011215867_100010268989 [0,1,0,0,0,1|1,0,1]=4 2542 B13R1.5 C=CC(C)Sc1ccc(cc1)CN 62a_100011215867_100016989417 [0,1,0,0,0,1|1,0,1]=4 2543 B13R1.5 C=CC(C)Sc1ccc(cc1)CO 62a_100011215867_100000690907 [0,1,0,0,0,1|0,0,1]=3 2544 B13R1.5 C=CC(C)Sc1ccc(cn1)CO 62a_100011215867_100009816760 [0,1,0,0,0,1|1,0,1]=4 2545 B13R1.5 C=CC(C)Sc1ccc(nc1)CO 62a_100011215867_100000754261 [0,1,0,0,0,1|1,0,1]=4 2546 B13R1.5 C=Cc1ccc(cc1)NC(C)CC 34a_100011218248_100011215416 [0,1,0,0,0,1|1,0,1]=4 2547 B13R1.5 C=Cc1ccc(cc1)NC(C)CO 34a_100011218248_100012180447 [0,1,0,0,0,1|1,0,1]=4 2548 B13R1.5 C=Cc1ccc(cc1)OC(C)CC 34a_100000189437_100011215416 [0,1,0,0,0,1|1,0,1]=4 2549 B13R1.5 C=Cc1ccc(cc1)OC(C)CC 7a_100000189437_100000758301 [0,1,0,0,0,1|1,0,1]=4 2550 B13R1.5 C=Cc1ccc(cc1)OC(C)CO 34a_100000189437_100012180447 [0,1,0,0,0,1|1,0,1]=4 2551 B13R1.5 C=Cc1ccc(cc1)OC(C)CO 7a_100000189437_100012180447 [0,1,0,0,0,1|1,0,1]=4 2552 B13R1.5 C=Cc1ccc(cc1)SC(C)CC 62a_100000748128_100000758301 [0,1,0,0,0,1|1,0,1]=4 2553 B13R1.5 C=Cc1ccc(cc1)SC(C)CC 62a_100000758301_100000748128 [0,1,0,0,0,1|1,0,1]=4 2554 B13R1.5 C=Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000748128 [0,1,0,0,0,1|1,0,1]=4 2555 B13R1.5 C=Cc1ccc(cc1)SC(C)OC 62a_100000748128_100009879195 [0,1,0,0,0,1|1,0,1]=4 2556 B13R1.5 C=Cc1ccc(cc1)SC(C)OC 62a_100009879195_100000748128 [0,1,0,0,0,1|1,0,1]=4 2557 B13R1.5 C=Cc1ccc(cc1)S[C@H](C)CO 62a_100000748128_100016084084 [0,1,0,0,0,1|1,0,1]=4 2558 B13R1.5 C=Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000748128 [0,1,0,0,0,1|1,0,1]=4 2559 B13R1.5 CC(C#N)Nc1ccc(cc1)CO 2230a_100011215238_100000184139 [0,1,0,0,0,1|0,0,1]=3 2560 B13R1.5 CC(C#N)Sc1ccc(cc1)CF 62a_100000703298_100010268989 [0,1,0,0,0,1|1,0,1]=4 2561 B13R1.5 CC(C#N)Sc1ccc(cc1)CF 62a_100010268989_100000703298 [0,1,0,0,0,1|1,0,1]=4 2562 B13R1.5 CC(C#N)Sc1ccc(cc1)CN 62a_100000703298_100016989417 [0,1,0,0,0,1|1,0,1]=4 2563 B13R1.5 CC(C#N)Sc1ccc(cc1)CN 62a_100016989417_100000703298 [0,1,0,0,0,1|1,0,1]=4 2564 B13R1.5 CC(C#N)Sc1ccc(cc1)CO 62a_100000690907_100000703298 [0,1,0,0,0,1|0,0,1]=3 2565 B13R1.5 CC(C#N)Sc1ccc(cc1)CO 62a_100000703298_100000690907 [0,1,0,0,0,1|0,0,1]=3 2566 B13R1.5 CC(C#N)Sc1ccc(cn1)CO 62a_100000703298_100009816760 [0,1,0,0,0,1|1,0,1]=4 2567 B13R1.5 CC(C#N)Sc1ccc(cn1)CO 62a_100009816760_100000703298 [0,1,0,0,0,1|1,0,1]=4 2568 B13R1.5 CC(C#N)Sc1ccc(nc1)CO 62a_100000703298_100000754261 [0,1,0,0,0,1|1,0,1]=4 2569 B13R1.5 CC(C#N)Sc1ccc(nc1)CO 62a_100000754261_100000703298 [0,1,0,0,0,1|1,0,1]=4 2570 B13R1.5 CC(CO)Nc1ccc(cc1)C#N 34a_100000185469_100012180447 [0,1,0,0,0,1|1,0,1]=4 2571 B13R1.5 CC(CO)Nc1ccc(cc1)CO 2230a_100011215238_100012180447 [0,1,0,0,0,1|0,0,0]=2 2572 B13R1.5 CC(CO)Nc1ccc(cc1)CO 34a_100011215238_100012180447 [0,1,0,0,0,1|0,0,0]=2 2573 B13R1.5 CC(CO)Oc1ccc(cc1)C#N 34a_100000210344_100012180447 [0,1,0,0,0,1|1,0,1]=4 2574 B13R1.5 CC(CO)Oc1ccc(cc1)C#N 7a_100000210344_100012180447 [0,1,0,0,0,1|1,0,1]=4 2575 B13R1.5 CC(CO)Oc1ccc(cc1)CN 34a_100000185549_100012180447 [0,1,0,0,0,1|1,0,0]=3 2576 B13R1.5 CC(CO)Oc1ccc(cc1)CO 34a_100000211755_100012180447 [0,1,0,0,0,1|0,0,0]=2 2577 B13R1.5 CC(CO)Oc1ccc(cn1)CN 34a_100000757128_100012180447 [0,1,0,0,0,1|2,0,0]=4 2578 B13R1.5 CC(CO)Oc1ccc(nc1)CN 34a_100020605196_100012180447 [0,1,0,0,0,1|2,0,0]=4 2579 B13R1.5 CC(CO)Oc1ccc(nc1)CO 34a_103436540053_100012180447 [0,1,0,0,0,1|1,0,0]=3 2580 B13R1.5 CC(CO)Sc1ccc(cc1)C#N 62a_100012180447_100000184291 [0,1,0,0,0,1|1,0,1]=4 2581 B13R1.5 CC(CO)Sc1ccc(cc1)C=O 62a_100012180447_100000188517 [0,1,0,0,0,1|0,0,2]=4 2582 B13R1.5 CC(CO)Sc1ccc(cc1)CF 62a_100012180447_100010268989 [0,1,0,0,0,1|1,0,0]=3 2583 B13R1.5 CC(CO)Sc1ccc(cc1)CN 62a_100012180447_100016989417 [0,1,0,0,0,1|1,0,0]=3 2584 B13R1.5 CC(CO)Sc1ccc(cc1)CO 62a_100012180447_100000690907 [0,1,0,0,0,1|0,0,0]=2 2585 B13R1.5 CC(CO)Sc1ccc(cc1)NN 62a_100012180447_100016988836 [0,1,0,0,0,1|2,0,0]=4 2586 B13R1.5 CC(CO)Sc1ccc(cn1)CN 62a_100012180447_100000735879 [0,1,0,0,0,1|2,0,0]=4 2587 B13R1.5 CC(CO)Sc1ccc(cn1)CO 62a_100012180447_100009816760 [0,1,0,0,0,1|1,0,0]=3 2588 B13R1.5 CC(CO)Sc1ccc(nc1)CN 62a_100012180447_100015188789 [0,1,0,0,0,1|2,0,0]=4 2589 B13R1.5 CC(CO)Sc1ccc(nc1)CO 62a_100012180447_100000754261 [0,1,0,0,0,1|1,0,0]=3 2590 B13R1.5 CC(CO)Sc1cnc(cn1)CO 62a_100012180447_100012002382 [0,1,0,0,0,1|2,0,0]=4 2591 B13R1.5 CC(CO)Sc1cnc(nc1)CO 62a_100012180447_100009867226 [0,1,0,0,0,1|2,0,0]=4 2592 B13R1.5 CC(CO)Sc1ncc(cn1)CO 62a_100012180447_100009855073 [0,1,0,0,0,1|2,0,0]=4 2593 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100000210414_100000067286 [0,1,0,0,0,1|1,0,1]=4 2594 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100011356463_100000210202 [0,1,0,0,0,1|1,0,1]=4 2595 B13R1.5 CCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000210414 [0,1,0,0,0,1|1,0,1]=4 2596 B13R1.5 CCC(C)Nc1ccc(cc1)C#N 34a_100000185469_100011215416 [0,1,0,0,0,1|1,0,1]=4 2597 B13R1.5 CCC(C)Nc1ccc(cc1)CO 2230a_100011215238_100000758301 [0,1,0,0,0,1|0,0,0]=2 2598 B13R1.5 CCC(C)Nc1ccc(cc1)CO 34a_100011215238_100011215416 [0,1,0,0,0,1|0,0,0]=2 2599 B13R1.5 CCC(C)Nc1ccc(cc1)OC 34a_100000184247_100011215416 [0,1,0,0,0,1|2,0,0]=4 2600 B13R1.5 CCC(C)Nc1ccc(cc1)SC 34a_100000212337_100011215416 [0,1,0,0,0,1|2,0,0]=4 2601 B13R1.5 CCC(C)Oc1ccc(cc1)C#N 34a_100000210344_100011215416 [0,1,0,0,0,1|1,0,1]=4 2602 B13R1.5 CCC(C)Oc1ccc(cc1)C#N 7a_100000210344_100000758301 [0,1,0,0,0,1|1,0,1]=4 2603 B13R1.5 CCC(C)Oc1ccc(cc1)CN 34a_100000185549_100011215416 [0,1,0,0,0,1|1,0,0]=3 2604 B13R1.5 CCC(C)Oc1ccc(cc1)CO 34a_100000211755_100011215416 [0,1,0,0,0,1|0,0,0]=2 2605 B13R1.5 CCC(C)Oc1ccc(cc1)NC 34a_100000182112_100011215416 [0,1,0,0,0,1|2,0,0]=4 2606 B13R1.5 CCC(C)Oc1ccc(cc1)NC 34a_100000743956_200000210301 [0,1,0,0,0,1|2,0,0]=4 2607 B13R1.5 CCC(C)Oc1ccc(cc1)NC 7a_100000743956_200000210301 [0,1,0,0,0,1|2,0,0]=4 2608 B13R1.5 CCC(C)Oc1ccc(cc1)N[13CH3] 34a_100000743956_200025704644 [0,1,0,0,0,1|2,0,0]=4 2609 B13R1.5 CCC(C)Oc1ccc(cc1)N[13CH3] 7a_100000743956_200025704644 [0,1,0,0,0,1|2,0,0]=4 2610 B13R1.5 CCC(C)Oc1ccc(cc1)OC 34a_100000210503_100011215416 [0,1,0,0,0,1|2,0,0]=4 2611 B13R1.5 CCC(C)Oc1ccc(cc1)SC 34a_100000211864_100011215416 [0,1,0,0,0,1|2,0,0]=4 2612 B13R1.5 CCC(C)Oc1ccc(cn1)CN 34a_100000757128_100011215416 [0,1,0,0,0,1|2,0,0]=4 2613 B13R1.5 CCC(C)Oc1ccc(nc1)CN 34a_100020605196_100011215416 [0,1,0,0,0,1|2,0,0]=4 2614 B13R1.5 CCC(C)Oc1ccc(nc1)CO 34a_103436540053_100011215416 [0,1,0,0,0,1|1,0,0]=3 2615 B13R1.5 CCC(C)Sc1ccc(cc1)C#N 62a_100000758301_100000184291 [0,1,0,0,0,1|1,0,1]=4 2616 B13R1.5 CCC(C)Sc1ccc(cc1)C=O 62a_100000188517_100000758301 [0,1,0,0,0,1|0,0,2]=4 2617 B13R1.5 CCC(C)Sc1ccc(cc1)C=O 62a_100000758301_100000188517 [0,1,0,0,0,1|0,0,2]=4 2618 B13R1.5 CCC(C)Sc1ccc(cc1)CF 62a_100000758301_100010268989 [0,1,0,0,0,1|1,0,0]=3 2619 B13R1.5 CCC(C)Sc1ccc(cc1)CF 62a_100010268989_100000758301 [0,1,0,0,0,1|1,0,0]=3 2620 B13R1.5 CCC(C)Sc1ccc(cc1)CN 62a_100000758301_100016989417 [0,1,0,0,0,1|1,0,0]=3 2621 B13R1.5 CCC(C)Sc1ccc(cc1)CN 62a_100016989417_100000758301 [0,1,0,0,0,1|1,0,0]=3 2622 B13R1.5 CCC(C)Sc1ccc(cc1)CO 62a_100000690907_100000758301 [0,1,0,0,0,1|0,0,0]=2 2623 B13R1.5 CCC(C)Sc1ccc(cc1)CO 62a_100000758301_100000690907 [0,1,0,0,0,1|0,0,0]=2 2624 B13R1.5 CCC(C)Sc1ccc(cc1)NC 62a_100000743151_100000758301 [0,1,0,0,0,1|2,0,0]=4 2625 B13R1.5 CCC(C)Sc1ccc(cc1)NC 62a_100000758301_100000743151 [0,1,0,0,0,1|2,0,0]=4 2626 B13R1.5 CCC(C)Sc1ccc(cc1)NN 62a_100000758301_100016988836 [0,1,0,0,0,1|2,0,0]=4 2627 B13R1.5 CCC(C)Sc1ccc(cc1)NN 62a_100016988836_100000758301 [0,1,0,0,0,1|2,0,0]=4 2628 B13R1.5 CCC(C)Sc1ccc(cc1)OC 62a_100000758301_100000171711 [0,1,0,0,0,1|2,0,0]=4 2629 B13R1.5 CCC(C)Sc1ccc(cc1)SC 62a_100000758301_100011263217 [0,1,0,0,0,1|2,0,0]=4 2630 B13R1.5 CCC(C)Sc1ccc(cc1)SC 62a_100011263217_100000758301 [0,1,0,0,0,1|2,0,0]=4 2631 B13R1.5 CCC(C)Sc1ccc(cn1)CN 62a_100000735879_100000758301 [0,1,0,0,0,1|2,0,0]=4 2632 B13R1.5 CCC(C)Sc1ccc(cn1)CN 62a_100000758301_100000735879 [0,1,0,0,0,1|2,0,0]=4 2633 B13R1.5 CCC(C)Sc1ccc(cn1)CO 62a_100000758301_100009816760 [0,1,0,0,0,1|1,0,0]=3 2634 B13R1.5 CCC(C)Sc1ccc(cn1)CO 62a_100009816760_100000758301 [0,1,0,0,0,1|1,0,0]=3 2635 B13R1.5 CCC(C)Sc1ccc(nc1)CN 62a_100000758301_100015188789 [0,1,0,0,0,1|2,0,0]=4 2636 B13R1.5 CCC(C)Sc1ccc(nc1)CN 62a_100015188789_100000758301 [0,1,0,0,0,1|2,0,0]=4 2637 B13R1.5 CCC(C)Sc1ccc(nc1)CO 62a_100000754261_100000758301 [0,1,0,0,0,1|1,0,0]=3 2638 B13R1.5 CCC(C)Sc1ccc(nc1)CO 62a_100000758301_100000754261 [0,1,0,0,0,1|1,0,0]=3 2639 B13R1.5 CCC(C)Sc1cnc(cn1)CO 62a_100000758301_100012002382 [0,1,0,0,0,1|2,0,0]=4 2640 B13R1.5 CCC(C)Sc1cnc(cn1)CO 62a_100012002382_100000758301 [0,1,0,0,0,1|2,0,0]=4 2641 B13R1.5 CCC(C)Sc1cnc(nc1)CO 62a_100000758301_100009867226 [0,1,0,0,0,1|2,0,0]=4 2642 B13R1.5 CCC(C)Sc1cnc(nc1)CO 62a_100009867226_100000758301 [0,1,0,0,0,1|2,0,0]=4 2643 B13R1.5 CCC(C)Sc1ncc(cn1)CO 62a_100000758301_100009855073 [0,1,0,0,0,1|2,0,0]=4 2644 B13R1.5 CCC(C)Sc1ncc(cn1)CO 62a_100009855073_100000758301 [0,1,0,0,0,1|2,0,0]=4 2645 B13R1.5 CCN(C)Cc1ccc(cc1)CO 2230a_100000225621_100000067286 [0,1,0,0,0,1|1,0,0]=3 2646 B13R1.5 CCN(C)Cc1ccc(cc1)CO 269982a_100000225621_100000067286 [0,1,0,0,0,1|1,0,0]=3 2647 B13R1.5 CCN(C)Cc1ccc(cc1)CO 26a_100000225621_100000211755 [0,1,0,0,0,1|1,0,0]=3 2648 B13R1.5 CCc1ccc(cc1)CN(C)CC 2230a_100000225621_100000747183 [0,1,0,0,0,1|2,0,0]=4 2649 B13R1.5 CCc1ccc(cc1)CN(C)CC 2230a_100000683253_100000210202 [0,1,0,0,0,1|2,0,0]=4 2650 B13R1.5 CCc1ccc(cc1)CN(C)CC 2230a_100015187470_200000210301 [0,1,0,0,0,1|2,0,0]=4 2651 B13R1.5 CCc1ccc(cc1)CN(C)CC 269982a_100000225621_100000747183 [0,1,0,0,0,1|2,0,0]=4 2652 B13R1.5 CCc1ccc(cc1)CN(C)CC 269982a_100000683253_100000204670 [0,1,0,0,0,1|2,0,0]=4 2653 B13R1.5 CCc1ccc(cc1)CN(C)CC 269982a_100015187470_200000210301 [0,1,0,0,0,1|2,0,0]=4 2654 B13R1.5 CCc1ccc(cc1)CN(C)CC 26a_100000225621_100000211359 [0,1,0,0,0,1|2,0,0]=4 2655 B13R1.5 CCc1ccc(cc1)CN(C)CF 269982a_100000683253_100015361967 [0,1,0,0,0,1|2,0,0]=4 2656 B13R1.5 CCc1ccc(cc1)CN([13CH3])CC 2230a_100015187470_200025704644 [0,1,0,0,0,1|2,0,0]=4 2657 B13R1.5 CCc1ccc(cc1)CN([13CH3])CC 269982a_100015187470_200025704644 [0,1,0,0,0,1|2,0,0]=4 2658 B13R1.5 CCc1ccc(cc1)NC(C)C#N 2230a_100000211069_100000184139 [0,1,0,0,0,1|1,0,1]=4 2659 B13R1.5 CCc1ccc(cc1)NC(C)CC 2230a_100000211069_100000758301 [0,1,0,0,0,1|1,0,0]=3 2660 B13R1.5 CCc1ccc(cc1)NC(C)CC 34a_100000211069_100011215416 [0,1,0,0,0,1|1,0,0]=3 2661 B13R1.5 CCc1ccc(cc1)NC(C)CO 2230a_100000211069_100012180447 [0,1,0,0,0,1|1,0,0]=3 2662 B13R1.5 CCc1ccc(cc1)NC(C)CO 34a_100000211069_100012180447 [0,1,0,0,0,1|1,0,0]=3 2663 B13R1.5 CCc1ccc(cc1)OC(C)C#N 7a_100000211359_100000703298 [0,1,0,0,0,1|1,0,1]=4 2664 B13R1.5 CCc1ccc(cc1)OC(C)CC 34a_100000211359_100011215416 [0,1,0,0,0,1|1,0,0]=3 2665 B13R1.5 CCc1ccc(cc1)OC(C)CC 7a_100000211359_100000758301 [0,1,0,0,0,1|1,0,0]=3 2666 B13R1.5 CCc1ccc(cc1)OC(C)CO 34a_100000211359_100012180447 [0,1,0,0,0,1|1,0,0]=3 2667 B13R1.5 CCc1ccc(cc1)OC(C)CO 7a_100000211359_100012180447 [0,1,0,0,0,1|1,0,0]=3 2668 B13R1.5 CCc1ccc(cc1)SC(C)C#N 62a_100000703298_100011215824 [0,1,0,0,0,1|1,0,1]=4 2669 B13R1.5 CCc1ccc(cc1)SC(C)C#N 62a_100011215824_100000703298 [0,1,0,0,0,1|1,0,1]=4 2670 B13R1.5 CCc1ccc(cc1)SC(C)CC 62a_100000758301_100011215824 [0,1,0,0,0,1|1,0,0]=3 2671 B13R1.5 CCc1ccc(cc1)SC(C)CC 62a_100011215824_100000758301 [0,1,0,0,0,1|1,0,0]=3 2672 B13R1.5 CCc1ccc(cc1)SC(C)CO 62a_100012180447_100011215824 [0,1,0,0,0,1|1,0,0]=3 2673 B13R1.5 CCc1ccc(cc1)SC(C)OC 62a_100009879195_100011215824 [0,1,0,0,0,1|1,0,0]=3 2674 B13R1.5 CCc1ccc(cc1)SC(C)OC 62a_100011215824_100009879195 [0,1,0,0,0,1|1,0,0]=3 2675 B13R1.5 CCc1ccc(cc1)S[C@H](C)CO 62a_100011215824_100016084084 [0,1,0,0,0,1|1,0,0]=3 2676 B13R1.5 CCc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100011215824 [0,1,0,0,0,1|1,0,0]=3 2677 B13R1.5 CCc1ccc(cn1)SC(C)CC 62a_100000758301_100009820025 [0,1,0,0,0,1|2,0,0]=4 2678 B13R1.5 CCc1ccc(cn1)SC(C)CC 62a_100009820025_100000758301 [0,1,0,0,0,1|2,0,0]=4 2679 B13R1.5 CCc1ccc(cn1)SC(C)CO 62a_100012180447_100009820025 [0,1,0,0,0,1|2,0,0]=4 2680 B13R1.5 CCc1ccc(cn1)SC(C)OC 62a_100009820025_100009879195 [0,1,0,0,0,1|2,0,0]=4 2681 B13R1.5 CCc1ccc(cn1)SC(C)OC 62a_100009879195_100009820025 [0,1,0,0,0,1|2,0,0]=4 2682 B13R1.5 CCc1ccc(cn1)S[C@H](C)CO 62a_100009820025_100016084084 [0,1,0,0,0,1|2,0,0]=4 2683 B13R1.5 CCc1ccc(cn1)S[C@H](C)CO 62a_100016084084_100009820025 [0,1,0,0,0,1|2,0,0]=4 2684 B13R1.5 CCc1ccc(nc1)SC(C)CC 62a_100000758301_100009843584 [0,1,0,0,0,1|2,0,0]=4 2685 B13R1.5 CCc1ccc(nc1)SC(C)CC 62a_100009843584_100000758301 [0,1,0,0,0,1|2,0,0]=4 2686 B13R1.5 CCc1ccc(nc1)SC(C)CO 62a_100012180447_100009843584 [0,1,0,0,0,1|2,0,0]=4 2687 B13R1.5 CCc1ccc(nc1)SC(C)OC 62a_100009843584_100009879195 [0,1,0,0,0,1|2,0,0]=4 2688 B13R1.5 CCc1ccc(nc1)SC(C)OC 62a_100009879195_100009843584 [0,1,0,0,0,1|2,0,0]=4 2689 B13R1.5 CCc1ccc(nc1)S[C@H](C)CO 62a_100009843584_100016084084 [0,1,0,0,0,1|2,0,0]=4 2690 B13R1.5 CCc1ccc(nc1)S[C@H](C)CO 62a_100016084084_100009843584 [0,1,0,0,0,1|2,0,0]=4 2691 B13R1.5 CNC(=O)Cc1ccc(cc1)CO 240690a_100102657272_100011356463 [0,1,0,0,0,1|1,0,1]=4 2692 B13R1.5 CNC(=O)Nc1ccc(cc1)CO 2430a_100011215238_100102657272 [0,1,0,0,0,1|1,0,1]=4 2693 B13R1.5 CNC(C)Cc1ccc(cc1)C#N 270004a_106832991635_200011996569 [0,1,0,0,0,1|1,0,1]=4 2694 B13R1.5 CNC(C)Cc1ccc(cc1)OC 270004a_106832991635_100000211147 [0,1,0,0,0,1|2,0,0]=4 2695 B13R1.5 CNc1ccc(cc1)OC(C)CO 34a_100000182112_100012180447 [0,1,0,0,0,1|2,0,0]=4 2696 B13R1.5 CNc1ccc(cc1)SC(C)CO 62a_100012180447_100000743151 [0,1,0,0,0,1|2,0,0]=4 2697 B13R1.5 CNc1ccc(cc1)SC(C)OC 62a_100000743151_100009879195 [0,1,0,0,0,1|2,0,0]=4 2698 B13R1.5 CNc1ccc(cc1)SC(C)OC 62a_100009879195_100000743151 [0,1,0,0,0,1|2,0,0]=4 2699 B13R1.5 CNc1ccc(cc1)S[C@H](C)CO 62a_100000743151_100016084084 [0,1,0,0,0,1|2,0,0]=4 2700 B13R1.5 CNc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000743151 [0,1,0,0,0,1|2,0,0]=4 2701 B13R1.5 COC(C)Sc1ccc(cc1)C#N 62a_100009879195_100000184291 [0,1,0,0,0,1|1,0,1]=4 2702 B13R1.5 COC(C)Sc1ccc(cc1)C=O 62a_100000188517_100009879195 [0,1,0,0,0,1|0,0,2]=4 2703 B13R1.5 COC(C)Sc1ccc(cc1)C=O 62a_100009879195_100000188517 [0,1,0,0,0,1|0,0,2]=4 2704 B13R1.5 COC(C)Sc1ccc(cc1)CF 62a_100009879195_100010268989 [0,1,0,0,0,1|1,0,0]=3 2705 B13R1.5 COC(C)Sc1ccc(cc1)CF 62a_100010268989_100009879195 [0,1,0,0,0,1|1,0,0]=3 2706 B13R1.5 COC(C)Sc1ccc(cc1)CN 62a_100009879195_100016989417 [0,1,0,0,0,1|1,0,0]=3 2707 B13R1.5 COC(C)Sc1ccc(cc1)CN 62a_100016989417_100009879195 [0,1,0,0,0,1|1,0,0]=3 2708 B13R1.5 COC(C)Sc1ccc(cc1)CO 62a_100000690907_100009879195 [0,1,0,0,0,1|0,0,0]=2 2709 B13R1.5 COC(C)Sc1ccc(cc1)CO 62a_100009879195_100000690907 [0,1,0,0,0,1|0,0,0]=2 2710 B13R1.5 COC(C)Sc1ccc(cc1)NN 62a_100009879195_100016988836 [0,1,0,0,0,1|2,0,0]=4 2711 B13R1.5 COC(C)Sc1ccc(cc1)NN 62a_100016988836_100009879195 [0,1,0,0,0,1|2,0,0]=4 2712 B13R1.5 COC(C)Sc1ccc(cc1)SC 62a_100009879195_100011263217 [0,1,0,0,0,1|2,0,0]=4 2713 B13R1.5 COC(C)Sc1ccc(cc1)SC 62a_100011263217_100009879195 [0,1,0,0,0,1|2,0,0]=4 2714 B13R1.5 COC(C)Sc1ccc(cn1)CN 62a_100000735879_100009879195 [0,1,0,0,0,1|2,0,0]=4 2715 B13R1.5 COC(C)Sc1ccc(cn1)CN 62a_100009879195_100000735879 [0,1,0,0,0,1|2,0,0]=4 2716 B13R1.5 COC(C)Sc1ccc(cn1)CO 62a_100009816760_100009879195 [0,1,0,0,0,1|1,0,0]=3 2717 B13R1.5 COC(C)Sc1ccc(cn1)CO 62a_100009879195_100009816760 [0,1,0,0,0,1|1,0,0]=3 2718 B13R1.5 COC(C)Sc1ccc(nc1)CN 62a_100009879195_100015188789 [0,1,0,0,0,1|2,0,0]=4 2719 B13R1.5 COC(C)Sc1ccc(nc1)CN 62a_100015188789_100009879195 [0,1,0,0,0,1|2,0,0]=4 2720 B13R1.5 COC(C)Sc1ccc(nc1)CO 62a_100000754261_100009879195 [0,1,0,0,0,1|1,0,0]=3 2721 B13R1.5 COC(C)Sc1ccc(nc1)CO 62a_100009879195_100000754261 [0,1,0,0,0,1|1,0,0]=3 2722 B13R1.5 COC(C)Sc1cnc(cn1)CO 62a_100009879195_100012002382 [0,1,0,0,0,1|2,0,0]=4 2723 B13R1.5 COC(C)Sc1cnc(cn1)CO 62a_100012002382_100009879195 [0,1,0,0,0,1|2,0,0]=4 2724 B13R1.5 COC(C)Sc1cnc(nc1)CO 62a_100009867226_100009879195 [0,1,0,0,0,1|2,0,0]=4 2725 B13R1.5 COC(C)Sc1cnc(nc1)CO 62a_100009879195_100009867226 [0,1,0,0,0,1|2,0,0]=4 2726 B13R1.5 COC(C)Sc1ncc(cn1)CO 62a_100009855073_100009879195 [0,1,0,0,0,1|2,0,0]=4 2727 B13R1.5 COC(C)Sc1ncc(cn1)CO 62a_100009879195_100009855073 [0,1,0,0,0,1|2,0,0]=4 2728 B13R1.5 COc1ccc(cc1)NC(C)CO 34a_100000184247_100012180447 [0,1,0,0,0,1|2,0,0]=4 2729 B13R1.5 COc1ccc(cc1)OC(C)CO 34a_100000210503_100012180447 [0,1,0,0,0,1|2,0,0]=4 2730 B13R1.5 COc1ccc(cc1)SC(C)CO 62a_100012180447_100000171711 [0,1,0,0,0,1|2,0,0]=4 2731 B13R1.5 COc1ccc(cc1)SC(C)OC 62a_100009879195_100000171711 [0,1,0,0,0,1|2,0,0]=4 2732 B13R1.5 COc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000171711 [0,1,0,0,0,1|2,0,0]=4 2733 B13R1.5 CSc1ccc(cc1)NC(C)CO 34a_100000212337_100012180447 [0,1,0,0,0,1|2,0,0]=4 2734 B13R1.5 CSc1ccc(cc1)OC(C)CO 34a_100000211864_100012180447 [0,1,0,0,0,1|2,0,0]=4 2735 B13R1.5 CSc1ccc(cc1)SC(C)CO 62a_100012180447_100011263217 [0,1,0,0,0,1|2,0,0]=4 2736 B13R1.5 CSc1ccc(cc1)S[C@H](C)CO 62a_100011263217_100016084084 [0,1,0,0,0,1|2,0,0]=4 2737 B13R1.5 CSc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100011263217 [0,1,0,0,0,1|2,0,0]=4 2738 B13R1.5 C[C@H](CF)Nc1cnc(cn1)CO 27a_100102880703_100012002382 [0,1,0,0,0,1|2,0,0]=4 2739 B13R1.5 C[C@H](CF)Nc1ncc(cn1)CO 27a_100102880703_100009855073 [0,1,0,0,0,1|2,0,0]=4 2740 B13R1.5 C[C@H](CO)Nc1cnc(cn1)CO 27a_100000737577_100012002382 [0,1,0,0,0,1|2,0,0]=4 2741 B13R1.5 C[C@H](CO)Nc1ncc(cn1)CO 27a_100000737577_100009855073 [0,1,0,0,0,1|2,0,0]=4 2742 B13R1.5 C[C@H](CO)Sc1ccc(cc1)C#N 62a_100016084084_100000184291 [0,1,0,0,0,1|1,0,1]=4 2743 B13R1.5 C[C@H](CO)Sc1ccc(cc1)C=O 62a_100000188517_100016084084 [0,1,0,0,0,1|0,0,2]=4 2744 B13R1.5 C[C@H](CO)Sc1ccc(cc1)C=O 62a_100016084084_100000188517 [0,1,0,0,0,1|0,0,2]=4 2745 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CF 62a_100010268989_100016084084 [0,1,0,0,0,1|1,0,0]=3 2746 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CF 62a_100016084084_100010268989 [0,1,0,0,0,1|1,0,0]=3 2747 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CN 62a_100016084084_100016989417 [0,1,0,0,0,1|1,0,0]=3 2748 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CN 62a_100016989417_100016084084 [0,1,0,0,0,1|1,0,0]=3 2749 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CO 62a_100000690907_100016084084 [0,1,0,0,0,1|0,0,0]=2 2750 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CO 62a_100016084084_100000690907 [0,1,0,0,0,1|0,0,0]=2 2751 B13R1.5 C[C@H](CO)Sc1ccc(cc1)NN 62a_100016084084_100016988836 [0,1,0,0,0,1|2,0,0]=4 2752 B13R1.5 C[C@H](CO)Sc1ccc(cc1)NN 62a_100016988836_100016084084 [0,1,0,0,0,1|2,0,0]=4 2753 B13R1.5 C[C@H](CO)Sc1ccc(cn1)CN 62a_100000735879_100016084084 [0,1,0,0,0,1|2,0,0]=4 2754 B13R1.5 C[C@H](CO)Sc1ccc(cn1)CN 62a_100016084084_100000735879 [0,1,0,0,0,1|2,0,0]=4 2755 B13R1.5 C[C@H](CO)Sc1ccc(cn1)CO 62a_100009816760_100016084084 [0,1,0,0,0,1|1,0,0]=3 2756 B13R1.5 C[C@H](CO)Sc1ccc(cn1)CO 62a_100016084084_100009816760 [0,1,0,0,0,1|1,0,0]=3 2757 B13R1.5 C[C@H](CO)Sc1ccc(nc1)CN 62a_100015188789_100016084084 [0,1,0,0,0,1|2,0,0]=4 2758 B13R1.5 C[C@H](CO)Sc1ccc(nc1)CN 62a_100016084084_100015188789 [0,1,0,0,0,1|2,0,0]=4 2759 B13R1.5 C[C@H](CO)Sc1ccc(nc1)CO 62a_100000754261_100016084084 [0,1,0,0,0,1|1,0,0]=3 2760 B13R1.5 C[C@H](CO)Sc1ccc(nc1)CO 62a_100016084084_100000754261 [0,1,0,0,0,1|1,0,0]=3 2761 B13R1.5 C[C@H](CO)Sc1cnc(cn1)CO 62a_100012002382_100016084084 [0,1,0,0,0,1|2,0,0]=4 2762 B13R1.5 C[C@H](CO)Sc1cnc(cn1)CO 62a_100016084084_100012002382 [0,1,0,0,0,1|2,0,0]=4 2763 B13R1.5 C[C@H](CO)Sc1cnc(nc1)CO 62a_100009867226_100016084084 [0,1,0,0,0,1|2,0,0]=4 2764 B13R1.5 C[C@H](CO)Sc1cnc(nc1)CO 62a_100016084084_100009867226 [0,1,0,0,0,1|2,0,0]=4 2765 B13R1.5 C[C@H](CO)Sc1ncc(cn1)CO 62a_100009855073_100016084084 [0,1,0,0,0,1|2,0,0]=4 2766 B13R1.5 C[C@H](CO)Sc1ncc(cn1)CO 62a_100016084084_100009855073 [0,1,0,0,0,1|2,0,0]=4 2767 B13R1.5 N#CC(F)Sc1ccc(cc1)CO 62a_100000690907_200000117898 [0,1,0,0,0,1|1,0,1]=4 2768 B13R1.5 N#CC(F)Sc1ccc(cc1)CO 62a_200000117898_100000690907 [0,1,0,0,0,1|1,0,1]=4 2769 B13R1.5 O=C(CF)Cc1ccc(cc1)CO 1458a_100011356463_100015361967 [0,1,0,0,0,1|1,0,1]=4 2770 B13R1.5 O=C(CO)Cc1ccc(cc1)CO 1458a_100000210174_100000067286 [0,1,0,0,0,1|1,0,1]=4 2771 B13R1.5 O=C(CO)Nc1ccc(cc1)CO 22a_100011215238_100000210174 [0,1,0,0,0,1|1,0,1]=4 2772 B13R1.35 C#Cc1ccc(cc1Cl)NC(C)C 2230a_100012001888_100000210206 [0,1,0,0,0,1|1,0,1]=4 2773 B13R1.35 C#Cc1ccc(cc1Cl)NC(C)C 34a_100012001888_100000210206 [0,1,0,0,0,1|1,0,1]=4 2774 B13R1.35 C#Cc1ccc(cc1F)NC(C)C 2230a_100012001886_100000210206 [0,1,0,0,0,1|1,0,1]=4 2775 B13R1.35 C#Cc1ccc(cc1F)NC(C)C 34a_100012001886_100000210206 [0,1,0,0,0,1|1,0,1]=4 2776 B13R1.35 C=Cc1ccc(cc1F)OC(C)C 271570a_100011290941_200012236954 [0,1,0,0,0,1|1,0,1]=4 2777 B13R1.35 C=Cc1ccc(cc1F)SC(C)C 62a_100000210206_100011935271 [0,1,0,0,0,1|1,0,1]=4 2778 B13R1.35 C=Cc1ccc(cc1F)SC(C)C 62a_100011935271_100000210206 [0,1,0,0,0,1|1,0,1]=4 2779 B13R1.35 CC(=Cc1cc(c(cn1)CO)C)C 271570a_100102525489_100010277336 [0,1,0,0,0,1|1,0,1]=4 2780 B13R1.35 CC(=Cc1cc(c(cn1)CO)N)C 271570a_100102525489_100009830438 [0,1,0,0,0,1|1,0,1]=4 2781 B13R1.35 CC(=Cc1ccc(c(c1)Br)CO)C 271570a_100102525489_100010240206 [0,1,0,0,0,1|0,0,1]=3 2782 B13R1.35 CC(=Cc1ccc(c(c1)C)CF)C 271570a_100102525489_200010711859 [0,1,0,0,0,1|1,0,1]=4 2783 B13R1.35 CC(=Cc1ccc(c(c1)C)CN)C 271570a_100102525489_100000753881 [0,1,0,0,0,1|1,0,1]=4 2784 B13R1.35 CC(=Cc1ccc(c(c1)C)CO)C 271570a_100102525489_100000748258 [0,1,0,0,0,1|0,0,1]=3 2785 B13R1.35 CC(=Cc1ccc(c(c1)F)CN)C 271570a_100102525489_100000754580 [0,1,0,0,0,1|1,0,1]=4 2786 B13R1.35 CC(=Cc1ccc(c(c1)F)CO)C 271570a_100102525489_100011191541 [0,1,0,0,0,1|0,0,1]=3 2787 B13R1.35 CC(=Cc1ccc(c(c1)N)CO)C 271570a_100102525489_100000718831 [0,1,0,0,0,1|0,0,1]=3 2788 B13R1.35 CC(=Cc1ccc(c(c1)O)CO)C 271570a_100102525489_100000071718 [0,1,0,0,0,1|0,0,1]=3 2789 B13R1.35 CC(=Cc1ccc(c(n1)F)CO)C 271570a_100102525489_100009870654 [0,1,0,0,0,1|1,0,1]=4 2790 B13R1.35 CC(=Cc1cnc(c(c1)C)CO)C 271570a_100102525489_100010116297 [0,1,0,0,0,1|1,0,1]=4 2791 B13R1.35 CC(=Cc1cnc(c(c1)F)CO)C 271570a_100102525489_100010065252 [0,1,0,0,0,1|1,0,1]=4 2792 B13R1.35 CC(=O)Nc1ccc(c(c1)C)CO 22a_100000102464_100000070787 [0,1,0,0,0,1|1,0,1]=4 2793 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)CO 22a_100000689119_100000070787 [0,1,0,0,0,1|1,0,1]=4 2794 B13R1.35 CC(C)Nc1ccc(c(c1)Br)C#N 27a_100138425928_100012349582 [0,1,0,0,0,1|1,0,1]=4 2795 B13R1.35 CC(C)Nc1ccc(c(c1)Br)C#N 34a_100000689153_100000210206 [0,1,0,0,0,1|1,0,1]=4 2796 B13R1.35 CC(C)Nc1ccc(c(c1)Br)C#N 7a_100000689153_100000210206 [0,1,0,0,0,1|1,0,1]=4 2797 B13R1.35 CC(C)Nc1ccc(c(c1)Cl)C#N 34a_100000211542_100000210206 [0,1,0,0,0,1|1,0,1]=4 2798 B13R1.35 CC(C)Nc1ccc(c(c1)Cl)C#N 7a_100000211542_100000210206 [0,1,0,0,0,1|1,0,1]=4 2799 B13R1.35 CC(C)Nc1ccc(c(c1)Cl)CO 34a_100000689119_100000210206 [0,1,0,0,0,1|0,0,0]=2 2800 B13R1.35 CC(C)Nc1ccc(c(c1)F)C#N 27a_100138425928_100000037869 [0,1,0,0,0,1|1,0,1]=4 2801 B13R1.35 CC(C)Nc1ccc(c(c1)F)C#N 34a_100000765089_100000210206 [0,1,0,0,0,1|1,0,1]=4 2802 B13R1.35 CC(C)Nc1ccc(c(c1)F)C#N 7a_100000765089_100000210206 [0,1,0,0,0,1|1,0,1]=4 2803 B13R1.35 CC(C)Nc1ccc(c(c1)O)C#N 34a_100000094571_100000210206 [0,1,0,0,0,1|1,0,1]=4 2804 B13R1.35 CC(C)Nc1ccc(c(c1)O)C#N 7a_100000094571_100000210206 [0,1,0,0,0,1|1,0,1]=4 2805 B13R1.35 CC(C)Nc1ccc(c(n1)F)CO 27a_100138425928_100010065253 [0,1,0,0,0,1|1,0,0]=3 2806 B13R1.35 CC(C)Nc1ncc(c(n1)N)CO 27a_100138425928_200009965464 [0,1,0,0,0,1|2,0,0]=4 2807 B13R1.35 CC(C)Oc1ccc(c(c1)Br)C#N 34a_100012184851_100000210206 [0,1,0,0,0,1|1,0,1]=4 2808 B13R1.35 CC(C)Oc1ccc(c(c1)Br)C#N 7a_100012184851_100000210206 [0,1,0,0,0,1|1,0,1]=4 2809 B13R1.35 CC(C)Oc1ccc(c(c1)Br)CO 34a_100010146404_100000210206 [0,1,0,0,0,1|0,0,0]=2 2810 B13R1.35 CC(C)Oc1ccc(c(c1)Br)CO 7a_100010146404_100000210206 [0,1,0,0,0,1|0,0,0]=2 2811 B13R1.35 CC(C)Oc1ccc(c(c1)Cl)C#N 34a_100000716493_100000210206 [0,1,0,0,0,1|1,0,1]=4 2812 B13R1.35 CC(C)Oc1ccc(c(c1)Cl)C#N 7a_100000716493_100000210206 [0,1,0,0,0,1|1,0,1]=4 2813 B13R1.35 CC(C)Oc1ccc(c(c1)Cl)CN 34a_200161156549_100000210206 [0,1,0,0,0,1|1,0,0]=3 2814 B13R1.35 CC(C)Oc1ccc(c(c1)Cl)CO 34a_200000075811_100000210206 [0,1,0,0,0,1|0,0,0]=2 2815 B13R1.35 CC(C)Oc1ccc(c(c1)Cl)CO 7a_200000075811_100000210206 [0,1,0,0,0,1|0,0,0]=2 2816 B13R1.35 CC(C)Oc1ccc(c(c1)F)C#N 34a_100000753931_100000210206 [0,1,0,0,0,1|1,0,1]=4 2817 B13R1.35 CC(C)Oc1ccc(c(c1)F)C#N 7a_100000753931_100000210206 [0,1,0,0,0,1|1,0,1]=4 2818 B13R1.35 CC(C)Oc1ccc(c(c1)F)CO 34a_100000084598_100000210206 [0,1,0,0,0,1|0,0,0]=2 2819 B13R1.35 CC(C)Oc1ccc(c(c1)F)CO 7a_100000084598_100000210206 [0,1,0,0,0,1|0,0,0]=2 2820 B13R1.35 CC(C)Oc1ccc(c(c1)F)N[13CH3] 2230a_100000747098_200025704644 [0,1,0,0,0,1|2,0,0]=4 2821 B13R1.35 CC(C)Oc1ccc(c(c1)F)N[13CH3] 34a_100000747098_200025704644 [0,1,0,0,0,1|2,0,0]=4 2822 B13R1.35 CC(C)Oc1ccc(c(c1)F)N[13CH3] 7a_100000747098_200025704644 [0,1,0,0,0,1|2,0,0]=4 2823 B13R1.35 CC(C)Oc1ccc(c(c1)F)S[13CH3] 62a_200012236954_200025704644 [0,1,0,0,0,1|2,0,0]=4 2824 B13R1.35 CC(C)Oc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200012236954 [0,1,0,0,0,1|2,0,0]=4 2825 B13R1.35 CC(C)Sc1cc(c(cn1)CO)N 62a_100000210206_100009830438 [0,1,0,0,0,1|1,0,0]=3 2826 B13R1.35 CC(C)Sc1cc(c(cn1)CO)N 62a_100009830438_100000210206 [0,1,0,0,0,1|1,0,0]=3 2827 B13R1.35 CC(C)Sc1ccc(c(c1)Br)C#N 62a_100000210206_100012349582 [0,1,0,0,0,1|1,0,1]=4 2828 B13R1.35 CC(C)Sc1ccc(c(c1)Br)C#N 62a_100012349582_100000210206 [0,1,0,0,0,1|1,0,1]=4 2829 B13R1.35 CC(C)Sc1ccc(c(c1)Br)C=O 62a_100000210206_100010185650 [0,1,0,0,0,1|0,0,2]=4 2830 B13R1.35 CC(C)Sc1ccc(c(c1)Br)C=O 62a_100010185650_100000210206 [0,1,0,0,0,1|0,0,2]=4 2831 B13R1.35 CC(C)Sc1ccc(c(c1)Br)CO 62a_100000210206_100010240206 [0,1,0,0,0,1|0,0,0]=2 2832 B13R1.35 CC(C)Sc1ccc(c(c1)Br)CO 62a_100010240206_100000210206 [0,1,0,0,0,1|0,0,0]=2 2833 B13R1.35 CC(C)Sc1ccc(c(c1)Cl)C#N 62a_100000210206_100012349662 [0,1,0,0,0,1|1,0,1]=4 2834 B13R1.35 CC(C)Sc1ccc(c(c1)Cl)C=O 62a_100000210206_100000727542 [0,1,0,0,0,1|0,0,2]=4 2835 B13R1.35 CC(C)Sc1ccc(c(c1)Cl)C=O 62a_100000727542_100000210206 [0,1,0,0,0,1|0,0,2]=4 2836 B13R1.35 CC(C)Sc1ccc(c(c1)F)C#N 62a_100000210206_100000037869 [0,1,0,0,0,1|1,0,1]=4 2837 B13R1.35 CC(C)Sc1ccc(c(c1)F)C=O 62a_100000210206_100000211676 [0,1,0,0,0,1|0,0,2]=4 2838 B13R1.35 CC(C)Sc1ccc(c(c1)F)C=O 62a_100000211676_100000210206 [0,1,0,0,0,1|0,0,2]=4 2839 B13R1.35 CC(C)Sc1ccc(c(c1)F)CN 62a_100000210206_100000754580 [0,1,0,0,0,1|1,0,0]=3 2840 B13R1.35 CC(C)Sc1ccc(c(c1)F)CN 62a_100000754580_100000210206 [0,1,0,0,0,1|1,0,0]=3 2841 B13R1.35 CC(C)Sc1ccc(c(c1)F)CO 62a_100000210206_100011191541 [0,1,0,0,0,1|0,0,0]=2 2842 B13R1.35 CC(C)Sc1ccc(c(c1)F)CO 62a_100011191541_100000210206 [0,1,0,0,0,1|0,0,0]=2 2843 B13R1.35 CC(C)Sc1ccc(c(c1)F)NN 62a_100000210206_100000751572 [0,1,0,0,0,1|2,0,0]=4 2844 B13R1.35 CC(C)Sc1ccc(c(c1)F)NN 62a_100000751572_100000210206 [0,1,0,0,0,1|2,0,0]=4 2845 B13R1.35 CC(C)Sc1ccc(c(c1)N)C#N 62a_100000210206_100000699244 [0,1,0,0,0,1|1,0,1]=4 2846 B13R1.35 CC(C)Sc1ccc(c(c1)N)C=O 62a_100009814810_100000210206 [0,1,0,0,0,1|0,0,2]=4 2847 B13R1.35 CC(C)Sc1ccc(c(c1)N)CO 62a_100000210206_100000718831 [0,1,0,0,0,1|0,0,0]=2 2848 B13R1.35 CC(C)Sc1ccc(c(c1)N)CO 62a_100000718831_100000210206 [0,1,0,0,0,1|0,0,0]=2 2849 B13R1.35 CC(C)Sc1ccc(c(c1)O)C#N 62a_100000210206_100011934713 [0,1,0,0,0,1|1,0,1]=4 2850 B13R1.35 CC(C)Sc1ccc(c(c1)O)C=O 62a_100000210206_100011277552 [0,1,0,0,0,1|0,0,2]=4 2851 B13R1.35 CC(C)Sc1ccc(c(c1)O)C=O 62a_100011277552_100000210206 [0,1,0,0,0,1|0,0,2]=4 2852 B13R1.35 CC(C)Sc1ccc(c(c1)O)CO 62a_100000071718_100000210206 [0,1,0,0,0,1|0,0,0]=2 2853 B13R1.35 CC(C)Sc1ccc(c(c1)O)CO 62a_100000210206_100000071718 [0,1,0,0,0,1|0,0,0]=2 2854 B13R1.35 CC(C)Sc1ccc(c(n1)F)CO 62a_100000210206_100009870654 [0,1,0,0,0,1|1,0,0]=3 2855 B13R1.35 CC(C)Sc1ccc(c(n1)F)CO 62a_100009870654_100000210206 [0,1,0,0,0,1|1,0,0]=3 2856 B13R1.35 CC(C)Sc1cnc(c(c1)F)CN 62a_100000210206_100015188786 [0,1,0,0,0,1|2,0,0]=4 2857 B13R1.35 CC(C)Sc1cnc(c(c1)F)CN 62a_100015188786_100000210206 [0,1,0,0,0,1|2,0,0]=4 2858 B13R1.35 CC(C)Sc1cnc(c(c1)F)CO 62a_100000210206_100010065252 [0,1,0,0,0,1|1,0,0]=3 2859 B13R1.35 CC(C)Sc1cnc(c(c1)F)CO 62a_100010065252_100000210206 [0,1,0,0,0,1|1,0,0]=3 2860 B13R1.35 CC(C)Sc1ncc(c(n1)N)CO 62a_100000210206_200009965464 [0,1,0,0,0,1|2,0,0]=4 2861 B13R1.35 CC(C)Sc1ncc(c(n1)N)CO 62a_200009965464_100000210206 [0,1,0,0,0,1|2,0,0]=4 2862 B13R1.35 CCc1ccc(cc1Cl)NC(C)C 2230a_100000766362_100000210206 [0,1,0,0,0,1|1,0,0]=3 2863 B13R1.35 CCc1ccc(cc1Cl)NC(C)C 34a_100000766362_100000210206 [0,1,0,0,0,1|1,0,0]=3 2864 B13R1.35 CCc1ccc(cc1Cl)NC(C)C 7a_100000766362_100000210206 [0,1,0,0,0,1|1,0,0]=3 2865 B13R1.35 CCc1ccc(cc1Cl)OC(C)C 34a_100009886192_100000210206 [0,1,0,0,0,1|1,0,0]=3 2866 B13R1.35 CCc1ccc(cc1Cl)OC(C)C 7a_100009886192_100000210206 [0,1,0,0,0,1|1,0,0]=3 2867 B13R1.35 CCc1ccc(cc1F)C=C(C)C 271570a_100102525489_200010071577 [0,1,0,0,0,1|1,0,1]=4 2868 B13R1.35 CCc1ccc(cc1F)SC(C)C 62a_100000210206_200010071577 [0,1,0,0,0,1|1,0,0]=3 2869 B13R1.35 CCc1ccc(cc1F)SC(C)C 62a_200010071577_100000210206 [0,1,0,0,0,1|1,0,0]=3 2870 B13R1.35 CCc1ccc(cc1N)C=C(C)C 271570a_100102525489_100012354963 [0,1,0,0,0,1|1,0,1]=4 2871 B13R1.35 CCc1ccc(cc1N)SC(C)C 62a_100000210206_100012354963 [0,1,0,0,0,1|1,0,0]=3 2872 B13R1.35 CCc1ccc(cc1N)SC(C)C 62a_100012354963_100000210206 [0,1,0,0,0,1|1,0,0]=3 2873 B13R1.35 CNc1ccc(cc1C)OC(C)C 34a_100161107805_100000210206 [0,1,0,0,0,1|2,0,0]=4 2874 B13R1.35 CNc1ccc(cc1C)OC(C)C 7a_100161107805_100000210206 [0,1,0,0,0,1|2,0,0]=4 2875 B13R1.35 CNc1ccc(cc1C)SC(C)C 62a_100000210206_100000221803 [0,1,0,0,0,1|2,0,0]=4 2876 B13R1.35 CNc1ccc(cc1C)SC(C)C 62a_100000221803_100000210206 [0,1,0,0,0,1|2,0,0]=4 2877 B13R1.35 CNc1ccc(cc1F)OC(C)C 2230a_100000747098_200000210301 [0,1,0,0,0,1|2,0,0]=4 2878 B13R1.35 CNc1ccc(cc1F)OC(C)C 34a_100000747098_200000210301 [0,1,0,0,0,1|2,0,0]=4 2879 B13R1.35 CNc1ccc(cc1F)OC(C)C 7a_100000747098_200000210301 [0,1,0,0,0,1|2,0,0]=4 2880 B13R1.35 CNc1ccc(cc1F)SC(C)C 62a_100000210206_100000743884 [0,1,0,0,0,1|2,0,0]=4 2881 B13R1.35 CNc1ccc(cc1F)SC(C)C 62a_100000743884_100000210206 [0,1,0,0,0,1|2,0,0]=4 2882 B13R1.35 CNc1ccc(cc1N)SC(C)C 62a_100000741790_100000210206 [0,1,0,0,0,1|2,0,0]=4 2883 B13R1.35 COc1ccc(cc1Br)NC(C)C 34a_100000187427_100000210206 [0,1,0,0,0,1|2,0,0]=4 2884 B13R1.35 COc1ccc(cc1Br)OC(C)C 34a_100010234764_100000210206 [0,1,0,0,0,1|2,0,0]=4 2885 B13R1.35 COc1ccc(cc1Br)OC(C)C 7a_100010234764_100000210206 [0,1,0,0,0,1|2,0,0]=4 2886 B13R1.35 COc1ccc(cc1Br)SC(C)C 62a_100000210206_100011249507 [0,1,0,0,0,1|2,0,0]=4 2887 B13R1.35 COc1ccc(cc1Br)SC(C)C 62a_100011249507_100000210206 [0,1,0,0,0,1|2,0,0]=4 2888 B13R1.35 COc1ccc(cc1C)NC(C)C 2230a_100000743268_100000210206 [0,1,0,0,0,1|2,0,0]=4 2889 B13R1.35 COc1ccc(cc1C)NC(C)C 34a_100000743268_100000210206 [0,1,0,0,0,1|2,0,0]=4 2890 B13R1.35 COc1ccc(cc1C)NC(C)C 7a_100000743268_100000210206 [0,1,0,0,0,1|2,0,0]=4 2891 B13R1.35 COc1ccc(cc1C)OC(C)C 34a_100000759738_100000210206 [0,1,0,0,0,1|2,0,0]=4 2892 B13R1.35 COc1ccc(cc1C)OC(C)C 7a_100000759738_100000210206 [0,1,0,0,0,1|2,0,0]=4 2893 B13R1.35 COc1ccc(cc1C)SC(C)C 62a_100000210206_100011219705 [0,1,0,0,0,1|2,0,0]=4 2894 B13R1.35 COc1ccc(cc1C)SC(C)C 62a_100011219705_100000210206 [0,1,0,0,0,1|2,0,0]=4 2895 B13R1.35 COc1ccc(cc1Cl)NC(C)C 2230a_100000211044_100000210206 [0,1,0,0,0,1|2,0,0]=4 2896 B13R1.35 COc1ccc(cc1Cl)NC(C)C 34a_100000211044_100000210206 [0,1,0,0,0,1|2,0,0]=4 2897 B13R1.35 COc1ccc(cc1Cl)OC(C)C 34a_200009861682_100000210206 [0,1,0,0,0,1|2,0,0]=4 2898 B13R1.35 COc1ccc(cc1Cl)OC(C)C 7a_200009861682_100000210206 [0,1,0,0,0,1|2,0,0]=4 2899 B13R1.35 COc1ccc(cc1Cl)SC(C)C 62a_100000210206_100012355395 [0,1,0,0,0,1|2,0,0]=4 2900 B13R1.35 COc1ccc(cc1Cl)SC(C)C 62a_100012355395_100000210206 [0,1,0,0,0,1|2,0,0]=4 2901 B13R1.35 COc1ccc(cc1F)NC(C)C 2230a_100000740183_100000210206 [0,1,0,0,0,1|2,0,0]=4 2902 B13R1.35 COc1ccc(cc1F)NC(C)C 34a_100000740183_100000210206 [0,1,0,0,0,1|2,0,0]=4 2903 B13R1.35 COc1ccc(cc1F)OC(C)C 34a_100000746305_100000210206 [0,1,0,0,0,1|2,0,0]=4 2904 B13R1.35 COc1ccc(cc1F)OC(C)C 7a_100000746305_100000210206 [0,1,0,0,0,1|2,0,0]=4 2905 B13R1.35 COc1ccc(cc1F)SC(C)C 62a_100000171752_100000210206 [0,1,0,0,0,1|2,0,0]=4 2906 B13R1.35 COc1ccc(cc1F)SC(C)C 62a_100000210206_100000171752 [0,1,0,0,0,1|2,0,0]=4 2907 B13R1.35 COc1ccc(cc1I)NC(C)C 34a_100011356947_100000210206 [0,1,0,0,0,1|2,0,0]=4 2908 B13R1.35 COc1ccc(cc1I)OC(C)C 34a_100010084122_100000210206 [0,1,0,0,0,1|2,0,0]=4 2909 B13R1.35 COc1ccc(cc1I)OC(C)C 7a_100010084122_100000210206 [0,1,0,0,0,1|2,0,0]=4 2910 B13R1.35 COc1ccc(cc1N)SC(C)C 62a_100000210206_100011249504 [0,1,0,0,0,1|2,0,0]=4 2911 B13R1.35 COc1ccc(cc1N)SC(C)C 62a_100011249504_100000210206 [0,1,0,0,0,1|2,0,0]=4 2912 B13R1.35 COc1ccc(cc1O)NC(C)C 34a_100000211920_100000210206 [0,1,0,0,0,1|2,0,0]=4 2913 B13R1.35 COc1ccc(cc1O)SC(C)C 62a_100000210206_100009816560 [0,1,0,0,0,1|2,0,0]=4 2914 B13R1.35 CSc1ccc(cc1C)OC(C)C 34a_100000030144_100000210206 [0,1,0,0,0,1|2,0,0]=4 2915 B13R1.35 CSc1ccc(cc1Cl)SC(C)C 62a_100000210206_206447510565 [0,1,0,0,0,1|2,0,0]=4 2916 B13R1.35 CSc1ccc(cc1Cl)SC(C)C 62a_206447510565_100000210206 [0,1,0,0,0,1|2,0,0]=4 2917 B13R1.35 CSc1ccc(cc1F)NC(C)C 2230a_100000762756_100000210206 [0,1,0,0,0,1|2,0,0]=4 2918 B13R1.35 CSc1ccc(cc1F)NC(C)C 34a_100000762756_100000210206 [0,1,0,0,0,1|2,0,0]=4 2919 B13R1.35 CSc1ccc(cc1F)OC(C)C 62a_200000210301_200012236954 [0,1,0,0,0,1|2,0,0]=4 2920 B13R1.35 CSc1ccc(cc1F)OC(C)C 62a_200012236954_200000210301 [0,1,0,0,0,1|2,0,0]=4 2921 B13R1.35 CSc1ccc(cc1F)SC(C)C 62a_100000210206_100010161220 [0,1,0,0,0,1|2,0,0]=4 2922 B13R1.35 CSc1ccc(cc1F)SC(C)C 62a_100010161220_100000210206 [0,1,0,0,0,1|2,0,0]=4 2923 B13R1.35 Cc1cc(ccc1C#N)NC(C)C 34a_100011999795_100000210206 [0,1,0,0,0,1|1,0,1]=4 2924 B13R1.35 Cc1cc(ccc1C#N)NC(C)C 7a_100011999795_100000210206 [0,1,0,0,0,1|1,0,1]=4 2925 B13R1.35 Cc1cc(ccc1C#N)OC(C)C 34a_100000720286_100000210206 [0,1,0,0,0,1|1,0,1]=4 2926 B13R1.35 Cc1cc(ccc1C#N)OC(C)C 7a_100000720286_100000210206 [0,1,0,0,0,1|1,0,1]=4 2927 B13R1.35 Cc1cc(ccc1C#N)SC(C)C 62a_100000210206_100000687762 [0,1,0,0,0,1|1,0,1]=4 2928 B13R1.35 Cc1cc(ccc1C=O)SC(C)C 62a_100000210206_100000766358 [0,1,0,0,0,1|0,0,2]=4 2929 B13R1.35 Cc1cc(ccc1C=O)SC(C)C 62a_100000766358_100000210206 [0,1,0,0,0,1|0,0,2]=4 2930 B13R1.35 Cc1cc(ccc1CF)SC(C)C 62a_100000210206_200010711859 [0,1,0,0,0,1|1,0,0]=3 2931 B13R1.35 Cc1cc(ccc1CF)SC(C)C 62a_200010711859_100000210206 [0,1,0,0,0,1|1,0,0]=3 2932 B13R1.35 Cc1cc(ccc1CN)SC(C)C 62a_100000210206_100000753881 [0,1,0,0,0,1|1,0,0]=3 2933 B13R1.35 Cc1cc(ccc1CN)SC(C)C 62a_100000753881_100000210206 [0,1,0,0,0,1|1,0,0]=3 2934 B13R1.35 Cc1cc(ccc1CO)NC(C)C 34a_100000102464_100000210206 [0,1,0,0,0,1|0,0,0]=2 2935 B13R1.35 Cc1cc(ccc1CO)SC(C)C 62a_100000210206_100000748258 [0,1,0,0,0,1|0,0,0]=2 2936 B13R1.35 Cc1cc(ccc1CO)SC(C)C 62a_100000748258_100000210206 [0,1,0,0,0,1|0,0,0]=2 2937 B13R1.35 Cc1cc(ccc1NN)SC(C)C 62a_100000210206_100000751375 [0,1,0,0,0,1|2,0,0]=4 2938 B13R1.35 Cc1cc(ccc1NN)SC(C)C 62a_100000751375_100000210206 [0,1,0,0,0,1|2,0,0]=4 2939 B13R1.35 Cc1cc(cnc1CO)SC(C)C 62a_100000210206_100010116297 [0,1,0,0,0,1|1,0,0]=3 2940 B13R1.35 Cc1cc(cnc1CO)SC(C)C 62a_100010116297_100000210206 [0,1,0,0,0,1|1,0,0]=3 2941 B13R1.35 Cc1cc(ncc1CO)SC(C)C 62a_100000210206_100010277336 [0,1,0,0,0,1|1,0,0]=3 2942 B13R1.35 Cc1cc(ncc1CO)SC(C)C 62a_100010277336_100000210206 [0,1,0,0,0,1|1,0,0]=3 2943 B13R1.36 C#Cc1ccc(cc1)C(=O)C(C)C 1458a_100011217615_100000210206 [0,1,0,0,0,1|1,0,1]=4 2944 B13R1.36 C=Cc1ccc(cc1)C(=O)C(C)C 1458a_100000687532_100000210206 [0,1,0,0,0,1|1,0,1]=4 2945 B13R1.36 C=Cc1ccc(cc1)C(=O)C(C)C 271570a_100011290941_100011220430 [0,1,0,0,0,1|1,0,1]=4 2946 B13R1.36 C=Cc1ccc(cc1)S(=O)C(C)C 271570a_100011290941_100010749287 [0,1,0,0,0,1|1,0,1]=4 2947 B13R1.36 C=Cc1ccc(cc1)[C@@H](N)C(C)C 271570a_100011290941_100102422763 [0,1,0,0,0,1|1,0,1]=4 2948 B13R1.36 CC(=C(C)c1ccc(cc1)CF)C 271570a_200000049429_100010268989 [0,1,0,0,0,1|1,0,1]=4 2949 B13R1.36 CC(=C(C)c1ccc(cc1)CN)C 271570a_200000049429_100016989417 [0,1,0,0,0,1|1,0,1]=4 2950 B13R1.36 CC(=C(C)c1ccc(cc1)CO)C 271570a_200000049429_100000690907 [0,1,0,0,0,1|0,0,1]=3 2951 B13R1.36 CC(=C(C)c1ccc(cn1)CO)C 271570a_200000049429_100009816760 [0,1,0,0,0,1|1,0,1]=4 2952 B13R1.36 CC(=C(C)c1ccc(nc1)CO)C 271570a_200000049429_100000754261 [0,1,0,0,0,1|1,0,1]=4 2953 B13R1.36 CC(C)C(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210206 [0,1,0,0,0,1|1,0,1]=4 2954 B13R1.36 CC(C)C(=O)c1ccc(cc1)CO 1458a_100000183892_100000210206 [0,1,0,0,0,1|0,0,0]=2 2955 B13R1.36 CC(C)C(=O)c1ccc(cc1)O[13CH3] 34a_100011995950_200025704644 [0,1,0,0,0,1|2,0,0]=4 2956 B13R1.36 CC(C)C(=O)c1ccc(cc1)O[13CH3] 7a_100011995950_200025704644 [0,1,0,0,0,1|2,0,0]=4 2957 B13R1.36 CC(C)C(=O)c1ccc(cc1)S[13CH3] 62a_100011220430_200025704644 [0,1,0,0,0,1|2,0,0]=4 2958 B13R1.36 CC(C)C(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011220430 [0,1,0,0,0,1|2,0,0]=4 2959 B13R1.36 CC(C)N(C)c1ccc(cc1)C#N 269982a_100000739737_100000210206 [0,1,0,0,0,1|1,0,1]=4 2960 B13R1.36 CC(C)N(C)c1ccc(cc1)C#N 34a_100000739737_100000210206 [0,1,0,0,0,1|1,0,1]=4 2961 B13R1.36 CC(C)N(C)c1cnc(cn1)CO 27a_200000211004_100012002382 [0,1,0,0,0,1|2,0,0]=4 2962 B13R1.36 CC(C)N(C)c1ncc(cn1)CO 27a_200000211004_100009855073 [0,1,0,0,0,1|2,0,0]=4 2963 B13R1.36 CC(C)S(=O)c1ccc(cc1)S[13CH3] 62a_100010749287_200025704644 [0,1,0,0,0,1|2,0,0]=4 2964 B13R1.36 CC(C)S(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100010749287 [0,1,0,0,0,1|2,0,0]=4 2965 B13R1.36 CC(C)[C@H](N)c1ccc(cc1)S[13CH3] 62a_100102422763_200025704644 [0,1,0,0,0,1|2,0,0]=4 2966 B13R1.36 CC(C)[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100102422763 [0,1,0,0,0,1|2,0,0]=4 2967 B13R1.36 CCc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100011215824 [0,1,0,0,0,1|1,0,1]=4 2968 B13R1.36 CCc1ccc(cc1)C(=O)C(C)C 1458a_100000211226_100000210206 [0,1,0,0,0,1|1,0,0]=3 2969 B13R1.36 CCc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000211226 [0,1,0,0,0,1|2,0,0]=4 2970 B13R1.36 CCc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000211226 [0,1,0,0,0,1|2,0,0]=4 2971 B13R1.36 CCc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000211226 [0,1,0,0,0,1|2,0,0]=4 2972 B13R1.36 CCc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000211226 [0,1,0,0,0,1|2,0,0]=4 2973 B13R1.36 CN(C)C(=O)c1ccc(cc1)CO 1626a_100102631434_100000183892 [0,1,0,0,0,1|1,0,0]=3 2974 B13R1.36 CN(C)C(=O)c1ccc(cc1)CO 240690a_100102631434_100000183892 [0,1,0,0,0,1|1,0,0]=3 2975 B13R1.36 CNc1ccc(cc1)C(=O)C(C)C 27a_100102657272_100011220430 [0,1,0,0,0,1|2,0,0]=4 2976 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 1458a_100000184203_100000210206 [0,1,0,0,0,1|2,0,0]=4 2977 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 34a_100011995950_200000210301 [0,1,0,0,0,1|2,0,0]=4 2978 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 7a_100011995950_200000210301 [0,1,0,0,0,1|2,0,0]=4 2979 B13R1.36 COc1ccc(cc1)N(C)C(C)C 2230a_100000220023_100000210206 [0,1,0,0,0,1|2,0,0]=4 2980 B13R1.36 COc1ccc(cc1)N(C)C(C)C 2230a_100000220024_200000210301 [0,1,0,0,0,1|2,0,0]=4 2981 B13R1.36 COc1ccc(cc1)N(C)C(C)C 269982a_100000220023_100000210206 [0,1,0,0,0,1|2,0,0]=4 2982 B13R1.36 COc1ccc(cc1)N(C)C(C)C 269982a_100000220024_200000210301 [0,1,0,0,0,1|2,0,0]=4 2983 B13R1.36 COc1ccc(cc1)N(C)C(C)C 34a_100000220023_100000210206 [0,1,0,0,0,1|2,0,0]=4 2984 B13R1.36 COc1ccc(cc1)N(C)C(C)C 34a_100000220024_200000210301 [0,1,0,0,0,1|2,0,0]=4 2985 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 2230a_100000220024_200025704644 [0,1,0,0,0,1|2,0,0]=4 2986 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 269982a_100000220024_200025704644 [0,1,0,0,0,1|2,0,0]=4 2987 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 34a_100000220024_200025704644 [0,1,0,0,0,1|2,0,0]=4 2988 B13R1.36 CSc1ccc(cc1)C(=O)C(C)C 1458a_100000189692_100000210206 [0,1,0,0,0,1|2,0,0]=4 2989 B13R1.36 CSc1ccc(cc1)C(=O)C(C)C 62a_100011220430_200000210301 [0,1,0,0,0,1|2,0,0]=4 2990 B13R1.36 CSc1ccc(cc1)C(=O)C(C)C 62a_200000210301_100011220430 [0,1,0,0,0,1|2,0,0]=4 2991 B13R1.36 CSc1ccc(cc1)S(=O)C(C)C 62a_100010749287_200000210301 [0,1,0,0,0,1|2,0,0]=4 2992 B13R1.36 CSc1ccc(cc1)S(=O)C(C)C 62a_200000210301_100010749287 [0,1,0,0,0,1|2,0,0]=4 2993 B13R1.36 CSc1ccc(cc1)[C@@H](N)C(C)C 62a_100102422763_200000210301 [0,1,0,0,0,1|2,0,0]=4 2994 B13R1.36 CSc1ccc(cc1)[C@@H](N)C(C)C 62a_200000210301_100102422763 [0,1,0,0,0,1|2,0,0]=4 2995 B13R1.142 C/C=C/c1ccc(cc1)SC(C)C 62a_100000210206_100016259036 [0,1,0,0,0,1|1,0,1]=4 2996 B13R1.142 C/C=C/c1ccc(cc1)SC(C)C 62a_100016259036_100000210206 [0,1,0,0,0,1|1,0,1]=4 2997 B13R1.142 C=C=Cc1ccc(cc1)CC(C)C 271570a_100015277604_100011221366 [0,1,0,0,0,1|1,0,1]=4 2998 B13R1.142 C=C=Cc1ccc(cc1)NC(C)C 271570a_100015277604_100000219625 [0,1,0,0,0,1|1,0,1]=4 2999 B13R1.142 C=C=Cc1ccc(cc1)OC(C)C 271570a_100015277604_100000169947 [0,1,0,0,0,1|1,0,1]=4 3000 B13R1.142 C=C=Cc1ccc(cc1)SC(C)C 271570a_100015277604_100009811894 [0,1,0,0,0,1|1,0,1]=4 3001 B13R1.142 C=CCc1ccc(cc1)OC(C)C 34a_100000078792_100000210206 [0,1,0,0,0,1|1,0,0]=3 3002 B13R1.142 C=CCc1ccc(cc1)OC(C)C 7a_100000078792_100000210206 [0,1,0,0,0,1|1,0,0]=3 3003 B13R1.142 C=COc1ccc(cc1)SC(C)C 62a_100000210206_100000704263 [0,1,0,0,0,1|1,0,1]=4 3004 B13R1.142 C=COc1ccc(cc1)SC(C)C 62a_100000704263_100000210206 [0,1,0,0,0,1|1,0,1]=4 3005 B13R1.142 CC(=Cc1ccc(cc1)CC#N)C 271570a_100102525489_100011217881 [0,1,0,0,0,1|1,0,1]=4 3006 B13R1.142 CC(=Cc1ccc(cc1)CC=O)C 271570a_100102525489_100011361690 [0,1,0,0,0,1|0,0,2]=4 3007 B13R1.142 CC(=Cc1ccc(cc1)CCN)C 271570a_100102525489_100000755846 [0,1,0,0,0,1|1,0,1]=4 3008 B13R1.142 CC(=Cc1ccc(cc1)CCO)C 271570a_100102525489_100000766406 [0,1,0,0,0,1|0,0,1]=3 3009 B13R1.142 CC(=Cc1ccc(cc1)CNN)C 271570a_100102525489_100016993955 [0,1,0,0,0,1|1,0,1]=4 3010 B13R1.142 CC(=Cc1ccc(cn1)CCO)C 271570a_100102525489_100009880866 [0,1,0,0,0,1|1,0,1]=4 3011 B13R1.142 CC(=Cc1ccc(nc1)CCO)C 271570a_100102525489_100012357577 [0,1,0,0,0,1|1,0,1]=4 3012 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 22a_100011204434_100000070787 [0,1,0,0,0,1|1,0,1]=4 3013 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 527a_100011204434_100103153847 [0,1,0,0,0,1|1,0,1]=4 3014 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 34a_100000246270_200025704644 [0,1,0,0,0,1|1,0,1]=4 3015 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 7a_100000246270_200025704644 [0,1,0,0,0,1|1,0,1]=4 3016 B13R1.142 CC(C)Cc1ccc(cc1)CO[13CH3] 34a_200011266444_200025704644 [0,1,0,0,0,1|0,0,0]=2 3017 B13R1.142 CC(C)Cc1ccc(cc1)CO[13CH3] 7a_200011266444_200025704644 [0,1,0,0,0,1|0,0,0]=2 3018 B13R1.142 CC(C)Cc1ccc(cc1)CS[13CH3] 62a_100011982790_200025704644 [0,1,0,0,0,1|0,1,0]=3 3019 B13R1.142 CC(C)Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100011982790 [0,1,0,0,0,1|0,1,0]=3 3020 B13R1.142 CC(C)Cc1ccc(cc1)NCF 34a_100000687309_100015361967 [0,1,0,0,0,1|1,0,0]=3 3021 B13R1.142 CC(C)Cc1ccc(cc1)SCF 62a_100011221366_100015361967 [0,1,0,0,0,1|1,0,0]=3 3022 B13R1.142 CC(C)Cc1ccc(cc1)SCF 62a_100015361967_100011221366 [0,1,0,0,0,1|1,0,0]=3 3023 B13R1.142 CC(C)Nc1ccc(cc1)CC#N 34a_100000198999_100000210206 [0,1,0,0,0,1|1,0,0]=3 3024 B13R1.142 CC(C)Nc1ccc(cc1)CCO 2230a_100011204434_100000210206 [0,1,0,0,0,1|0,0,0]=2 3025 B13R1.142 CC(C)Nc1ccc(cc1)CCO 34a_100011204434_100000210206 [0,1,0,0,0,1|0,0,0]=2 3026 B13R1.142 CC(C)Nc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_100000210206 [0,1,0,0,0,1|2,0,0]=4 3027 B13R1.142 CC(C)Nc1ccc(cc1)SCF 62a_100000219625_100015361967 [0,1,0,0,0,1|1,0,0]=3 3028 B13R1.142 CC(C)Nc1ccc(cc1)SCF 62a_100015361967_100000219625 [0,1,0,0,0,1|1,0,0]=3 3029 B13R1.142 CC(C)Oc1ccc(cc1)CC#N 34a_100000198970_100000210206 [0,1,0,0,0,1|1,0,0]=3 3030 B13R1.142 CC(C)Oc1ccc(cc1)CC#N 7a_100000198970_100000210206 [0,1,0,0,0,1|1,0,0]=3 3031 B13R1.142 CC(C)Oc1ccc(cc1)CCBr 34a_100009816426_100000210206 [0,1,0,0,0,1|1,0,0]=3 3032 B13R1.142 CC(C)Oc1ccc(cc1)CCBr 7a_100009816426_100000210206 [0,1,0,0,0,1|1,0,0]=3 3033 B13R1.142 CC(C)Oc1ccc(cc1)CCN 34a_100000743037_100000210206 [0,1,0,0,0,1|1,0,0]=3 3034 B13R1.142 CC(C)Oc1ccc(cc1)CCO 34a_100011215338_100000210206 [0,1,0,0,0,1|0,0,0]=2 3035 B13R1.142 CC(C)Oc1ccc(cc1)CCO 7a_100011215338_100000210206 [0,1,0,0,0,1|0,0,0]=2 3036 B13R1.142 CC(C)Oc1ccc(cc1)CN[13CH3] 2230a_100020586559_200025704644 [0,1,0,0,0,1|1,0,0]=3 3037 B13R1.142 CC(C)Oc1ccc(cc1)CN[13CH3] 34a_100020586559_200025704644 [0,1,0,0,0,1|1,0,0]=3 3038 B13R1.142 CC(C)Oc1ccc(cc1)CO[13CH3] 34a_100000173089_200025704644 [0,1,0,0,0,1|0,0,0]=2 3039 B13R1.142 CC(C)Oc1ccc(cc1)CO[13CH3] 7a_100000173089_200025704644 [0,1,0,0,0,1|0,0,0]=2 3040 B13R1.142 CC(C)Oc1ccc(cc1)NCF 34a_100011194259_100015361967 [0,1,0,0,0,1|1,0,0]=3 3041 B13R1.142 CC(C)Oc1ccc(cc1)OCF 34a_100000757185_100015361967 [0,1,0,0,0,1|1,0,0]=3 3042 B13R1.142 CC(C)Oc1ccc(cc1)OCF 7a_100000757185_100015361967 [0,1,0,0,0,1|1,0,0]=3 3043 B13R1.142 CC(C)Oc1ccc(cc1)SCF 62a_100000169947_100015361967 [0,1,0,0,0,1|1,0,0]=3 3044 B13R1.142 CC(C)Oc1ccc(cc1)SCF 62a_100015361967_100000169947 [0,1,0,0,0,1|1,0,0]=3 3045 B13R1.142 CC(C)Oc1ccc(cn1)CN[13CH3] 2230a_100000740622_200025704644 [0,1,0,0,0,1|2,0,0]=4 3046 B13R1.142 CC(C)Oc1ccc(cn1)CN[13CH3] 34a_100000740622_200025704644 [0,1,0,0,0,1|2,0,0]=4 3047 B13R1.142 CC(C)Oc1ccc(cn1)OCF 34a_100009858630_100015361967 [0,1,0,0,0,1|2,0,0]=4 3048 B13R1.142 CC(C)Oc1ccc(cn1)SCF 62a_100000688564_100015361967 [0,1,0,0,0,1|2,0,0]=4 3049 B13R1.142 CC(C)Oc1ccc(cn1)SCF 62a_100015361967_100000688564 [0,1,0,0,0,1|2,0,0]=4 3050 B13R1.142 CC(C)Oc1ccc(nc1)SCF 62a_100012354243_100015361967 [0,1,0,0,0,1|2,0,0]=4 3051 B13R1.142 CC(C)Oc1ccc(nc1)SCF 62a_100015361967_100012354243 [0,1,0,0,0,1|2,0,0]=4 3052 B13R1.142 CC(C)Sc1ccc(cc1)/C=C/Br 62a_100000210206_200016255901 [0,1,0,0,0,1|1,0,1]=4 3053 B13R1.142 CC(C)Sc1ccc(cc1)/C=C/Br 62a_200016255901_100000210206 [0,1,0,0,0,1|1,0,1]=4 3054 B13R1.142 CC(C)Sc1ccc(cc1)CC#N 62a_100000210206_100011217881 [0,1,0,0,0,1|1,0,0]=3 3055 B13R1.142 CC(C)Sc1ccc(cc1)CC#N 62a_100011217881_100000210206 [0,1,0,0,0,1|1,0,0]=3 3056 B13R1.142 CC(C)Sc1ccc(cc1)CC=O 62a_100000210206_100011361690 [0,1,0,0,0,1|0,0,1]=3 3057 B13R1.142 CC(C)Sc1ccc(cc1)CC=O 62a_100011361690_100000210206 [0,1,0,0,0,1|0,0,1]=3 3058 B13R1.142 CC(C)Sc1ccc(cc1)CCN 62a_100000210206_100000755846 [0,1,0,0,0,1|1,0,0]=3 3059 B13R1.142 CC(C)Sc1ccc(cc1)CCN 62a_100000755846_100000210206 [0,1,0,0,0,1|1,0,0]=3 3060 B13R1.142 CC(C)Sc1ccc(cc1)CCO 62a_100000210206_100000766406 [0,1,0,0,0,1|0,0,0]=2 3061 B13R1.142 CC(C)Sc1ccc(cc1)CCO 62a_100000766406_100000210206 [0,1,0,0,0,1|0,0,0]=2 3062 B13R1.142 CC(C)Sc1ccc(cc1)CNN 62a_100000210206_100016993955 [0,1,0,0,0,1|1,0,0]=3 3063 B13R1.142 CC(C)Sc1ccc(cc1)CNN 62a_100016993955_100000210206 [0,1,0,0,0,1|1,0,0]=3 3064 B13R1.142 CC(C)Sc1ccc(cc1)N=[N+]=[N-] 62a_100000210206_100000735661 [0,1,0,0,0,1|2,0,0]=4 3065 B13R1.142 CC(C)Sc1ccc(cc1)NC#N 62a_100000210206_100011685341 [0,1,0,0,0,1|1,0,1]=4 3066 B13R1.142 CC(C)Sc1ccc(cc1)SCF 62a_100009811894_100015361967 [0,1,0,0,0,1|1,0,0]=3 3067 B13R1.142 CC(C)Sc1ccc(cc1)SCF 62a_100015361967_100009811894 [0,1,0,0,0,1|1,0,0]=3 3068 B13R1.142 CC(C)Sc1ccc(cn1)CC#N 62a_100000210206_100000747943 [0,1,0,0,0,1|2,0,0]=4 3069 B13R1.142 CC(C)Sc1ccc(cn1)CC#N 62a_100000747943_100000210206 [0,1,0,0,0,1|2,0,0]=4 3070 B13R1.142 CC(C)Sc1ccc(cn1)CCO 62a_100000210206_100009880866 [0,1,0,0,0,1|1,0,0]=3 3071 B13R1.142 CC(C)Sc1ccc(cn1)CCO 62a_100009880866_100000210206 [0,1,0,0,0,1|1,0,0]=3 3072 B13R1.142 CC(C)Sc1ccc(cn1)CNN 62a_100000210206_106726394036 [0,1,0,0,0,1|2,0,0]=4 3073 B13R1.142 CC(C)Sc1ccc(cn1)CNN 62a_106726394036_100000210206 [0,1,0,0,0,1|2,0,0]=4 3074 B13R1.142 CC(C)Sc1ccc(nc1)CC#N 62a_100000210206_100011824422 [0,1,0,0,0,1|2,0,0]=4 3075 B13R1.142 CC(C)Sc1ccc(nc1)CC#N 62a_100011824422_100000210206 [0,1,0,0,0,1|2,0,0]=4 3076 B13R1.142 CC(C)Sc1ccc(nc1)CCO 62a_100000210206_100012357577 [0,1,0,0,0,1|1,0,0]=3 3077 B13R1.142 CC(C)Sc1ccc(nc1)CCO 62a_100012357577_100000210206 [0,1,0,0,0,1|1,0,0]=3 3078 B13R1.142 CC(N)Cc1ccc(cc1)OCF 34a_100102634573_100015361967 [0,1,0,0,0,1|2,0,0]=4 3079 B13R1.142 CC=Cc1ccc(cc1)CC(C)C 271570a_100016259895_100011221366 [0,1,0,0,0,1|1,0,1]=4 3080 B13R1.142 CC=Cc1ccc(cc1)NC(C)C 271570a_100016259895_100000219625 [0,1,0,0,0,1|1,0,1]=4 3081 B13R1.142 CC=Cc1ccc(cc1)OC(C)C 271570a_100016259895_100000169947 [0,1,0,0,0,1|1,0,1]=4 3082 B13R1.142 CC=Cc1ccc(cc1)SC(C)C 271570a_100016259895_100009811894 [0,1,0,0,0,1|1,0,1]=4 3083 B13R1.142 CCCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000750032 [0,1,0,0,0,1|1,0,1]=4 3084 B13R1.142 CCCc1ccc(cc1)CN(C)C 2230a_100102631434_100011982809 [0,1,0,0,0,1|2,0,0]=4 3085 B13R1.142 CCCc1ccc(cc1)CN(C)C 269982a_100102631434_100011982809 [0,1,0,0,0,1|2,0,0]=4 3086 B13R1.142 CCCc1ccc(cc1)CN(C)C 270004a_100102631434_100000229940 [0,1,0,0,0,1|2,0,0]=4 3087 B13R1.142 CCCc1ccc(cc1)NC(C)C 2230a_100000211780_100000210206 [0,1,0,0,0,1|1,0,0]=3 3088 B13R1.142 CCCc1ccc(cc1)NC(C)C 34a_100000211780_100000210206 [0,1,0,0,0,1|1,0,0]=3 3089 B13R1.142 CCCc1ccc(cc1)OC(C)C 34a_100000749406_100000210206 [0,1,0,0,0,1|1,0,0]=3 3090 B13R1.142 CCCc1ccc(cc1)OC(C)C 7a_100000749406_100000210206 [0,1,0,0,0,1|1,0,0]=3 3091 B13R1.142 CCCc1ccc(cc1)SC(C)C 62a_100000210206_100000750032 [0,1,0,0,0,1|1,0,0]=3 3092 B13R1.142 CCCc1ccc(cc1)SC(C)C 62a_100000750032_100000210206 [0,1,0,0,0,1|1,0,0]=3 3093 B13R1.142 CCNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219632 [0,1,0,0,0,1|1,0,1]=4 3094 B13R1.142 CCNc1ccc(cc1)CC(C)C 2230a_100000687309_100000210202 [0,1,0,0,0,1|1,0,0]=3 3095 B13R1.142 CCNc1ccc(cc1)CC(C)C 34a_100000687309_100000210202 [0,1,0,0,0,1|1,0,0]=3 3096 B13R1.142 CCNc1ccc(cc1)OC(C)C 2230a_100011194259_100000210202 [0,1,0,0,0,1|1,0,0]=3 3097 B13R1.142 CCNc1ccc(cc1)OC(C)C 34a_100011194259_100000210202 [0,1,0,0,0,1|1,0,0]=3 3098 B13R1.142 CCNc1ccc(cc1)OC(C)C 34a_100011337800_100000210206 [0,1,0,0,0,1|1,0,0]=3 3099 B13R1.142 CCNc1ccc(cc1)OC(C)C 7a_100011337800_100000210206 [0,1,0,0,0,1|1,0,0]=3 3100 B13R1.142 CCNc1ccc(cc1)SC(C)C 62a_100000210206_100000219632 [0,1,0,0,0,1|1,0,0]=3 3101 B13R1.142 CCNc1ccc(cn1)SC(C)C 62a_100000210206_100000741496 [0,1,0,0,0,1|2,0,0]=4 3102 B13R1.142 CCNc1ccc(cn1)SC(C)C 62a_100000741496_100000210206 [0,1,0,0,0,1|2,0,0]=4 3103 B13R1.142 CCOc1ccc(cc1)C=C(C)C 271570a_100102525489_100000169946 [0,1,0,0,0,1|1,0,1]=4 3104 B13R1.142 CCOc1ccc(cc1)CC(C)N 34a_100102634573_100000210202 [0,1,0,0,0,1|2,0,0]=4 3105 B13R1.142 CCOc1ccc(cc1)CN(C)C 2230a_100000180828_200000210301 [0,1,0,0,0,1|2,0,0]=4 3106 B13R1.142 CCOc1ccc(cc1)CN(C)C 269982a_100000180828_200000210301 [0,1,0,0,0,1|2,0,0]=4 3107 B13R1.142 CCOc1ccc(cc1)CN(C)C 270004a_100102631434_100000169836 [0,1,0,0,0,1|2,0,0]=4 3108 B13R1.142 CCOc1ccc(cc1)CN(C)[13CH3] 2230a_100000180828_200025704644 [0,1,0,0,0,1|2,0,0]=4 3109 B13R1.142 CCOc1ccc(cc1)CN(C)[13CH3] 269982a_100000180828_200025704644 [0,1,0,0,0,1|2,0,0]=4 3110 B13R1.142 CCOc1ccc(cc1)NC(C)C 2230a_100000739623_100000210206 [0,1,0,0,0,1|1,0,0]=3 3111 B13R1.142 CCOc1ccc(cc1)NC(C)C 34a_100000739623_100000210206 [0,1,0,0,0,1|1,0,0]=3 3112 B13R1.142 CCOc1ccc(cc1)OC(C)C 34a_100000185467_100000210206 [0,1,0,0,0,1|1,0,0]=3 3113 B13R1.142 CCOc1ccc(cc1)OC(C)C 34a_100000757185_100000210202 [0,1,0,0,0,1|1,0,0]=3 3114 B13R1.142 CCOc1ccc(cc1)OC(C)C 7a_100000757185_100000210202 [0,1,0,0,0,1|1,0,0]=3 3115 B13R1.142 CCOc1ccc(cc1)SC(C)C 62a_100000210206_100000171712 [0,1,0,0,0,1|1,0,0]=3 3116 B13R1.142 CCOc1ccc(cn1)SC(C)C 62a_100000210206_100011219444 [0,1,0,0,0,1|2,0,0]=4 3117 B13R1.142 CCOc1ccc(cn1)SC(C)C 62a_100011219444_100000210206 [0,1,0,0,0,1|2,0,0]=4 3118 B13R1.142 CCOc1ccc(nc1)OC(C)C 34a_100009858630_100000210202 [0,1,0,0,0,1|2,0,0]=4 3119 B13R1.142 CCOc1ccc(nc1)SC(C)C 62a_100000210206_100000753957 [0,1,0,0,0,1|2,0,0]=4 3120 B13R1.142 CCOc1ccc(nc1)SC(C)C 62a_100012355646_100000210206 [0,1,0,0,0,1|2,0,0]=4 3121 B13R1.142 CCSc1ccc(cc1)C=C(C)C 271570a_100102525489_200009811893 [0,1,0,0,0,1|1,0,1]=4 3122 B13R1.142 CCSc1ccc(cc1)CC(C)C 62a_100000210202_100011221366 [0,1,0,0,0,1|1,0,0]=3 3123 B13R1.142 CCSc1ccc(cc1)CC(C)C 62a_100011221366_100000210202 [0,1,0,0,0,1|1,0,0]=3 3124 B13R1.142 CCSc1ccc(cc1)CN(C)C 62a_100000174694_100000210202 [0,1,0,0,0,1|2,0,0]=4 3125 B13R1.142 CCSc1ccc(cc1)CN(C)C 62a_100000210202_100000174694 [0,1,0,0,0,1|2,0,0]=4 3126 B13R1.142 CCSc1ccc(cc1)NC(C)C 34a_100015187087_100000210206 [0,1,0,0,0,1|1,0,0]=3 3127 B13R1.142 CCSc1ccc(cc1)NC(C)C 62a_100000210202_100000219625 [0,1,0,0,0,1|1,0,0]=3 3128 B13R1.142 CCSc1ccc(cc1)NC(C)C 62a_100000219625_100000210202 [0,1,0,0,0,1|1,0,0]=3 3129 B13R1.142 CCSc1ccc(cc1)OC(C)C 62a_100000169947_100000210202 [0,1,0,0,0,1|1,0,0]=3 3130 B13R1.142 CCSc1ccc(cc1)OC(C)C 62a_100000210202_100000169947 [0,1,0,0,0,1|1,0,0]=3 3131 B13R1.142 CCSc1ccc(cc1)SC(C)C 62a_100000210202_100009811894 [0,1,0,0,0,1|1,0,0]=3 3132 B13R1.142 CCSc1ccc(cc1)SC(C)C 62a_100000210206_200009811893 [0,1,0,0,0,1|1,0,0]=3 3133 B13R1.142 CCSc1ccc(cc1)SC(C)C 62a_100009811894_100000210202 [0,1,0,0,0,1|1,0,0]=3 3134 B13R1.142 CCSc1ccc(cc1)SC(C)C 62a_200009811893_100000210206 [0,1,0,0,0,1|1,0,0]=3 3135 B13R1.142 CCSc1ccc(cn1)OC(C)C 62a_100000210202_100012354243 [0,1,0,0,0,1|2,0,0]=4 3136 B13R1.142 CCSc1ccc(cn1)OC(C)C 62a_100012354243_100000210202 [0,1,0,0,0,1|2,0,0]=4 3137 B13R1.142 CCSc1ccc(cn1)SC(C)C 62a_100000210206_100000690189 [0,1,0,0,0,1|2,0,0]=4 3138 B13R1.142 CCSc1ccc(cn1)SC(C)C 62a_100000690189_100000210206 [0,1,0,0,0,1|2,0,0]=4 3139 B13R1.142 CCSc1ccc(nc1)OC(C)C 62a_100000210202_100000688564 [0,1,0,0,0,1|2,0,0]=4 3140 B13R1.142 CCSc1ccc(nc1)OC(C)C 62a_100000688564_100000210202 [0,1,0,0,0,1|2,0,0]=4 3141 B13R1.142 CN(C)Cc1ccc(cc1)CN[13CH3] 2230a_100000203713_200025704644 [0,1,0,0,0,1|2,0,0]=4 3142 B13R1.142 CN(C)Cc1ccc(cc1)SCF 62a_100000174694_100015361967 [0,1,0,0,0,1|2,0,0]=4 3143 B13R1.142 CN(C)Cc1ccc(cc1)SCF 62a_100015361967_100000174694 [0,1,0,0,0,1|2,0,0]=4 3144 B13R1.142 CNCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000180866 [0,1,0,0,0,1|1,0,1]=4 3145 B13R1.142 CNCc1ccc(cc1)CC(C)C 207a_100102657272_100000749234 [0,1,0,0,0,1|1,0,0]=3 3146 B13R1.142 CNCc1ccc(cc1)CC(C)C 2230a_106832991635_100011982790 [0,1,0,0,0,1|1,0,0]=3 3147 B13R1.142 CNCc1ccc(cc1)CC(C)C 269862a_106832991636_100000749234 [0,1,0,0,0,1|1,0,0]=3 3148 B13R1.142 CNCc1ccc(cc1)CC(C)C 270004a_106832991635_100000749234 [0,1,0,0,0,1|1,0,0]=3 3149 B13R1.142 CNCc1ccc(cc1)CC(C)C 34a_100102657272_100011982790 [0,1,0,0,0,1|1,0,0]=3 3150 B13R1.142 CNCc1ccc(cc1)CC(C)C 7a_106832991635_100011982790 [0,1,0,0,0,1|1,0,0]=3 3151 B13R1.142 CNCc1ccc(cc1)CC(C)N 26a_100102657272_100102634573 [0,1,0,0,0,1|2,0,0]=4 3152 B13R1.142 CNCc1ccc(cc1)CN(C)C 207a_100102657272_100000059705 [0,1,0,0,0,1|2,0,0]=4 3153 B13R1.142 CNCc1ccc(cc1)CN(C)C 2230a_100000203713_200000210301 [0,1,0,0,0,1|2,0,0]=4 3154 B13R1.142 CNCc1ccc(cc1)CN(C)C 270004a_106832991635_100000059705 [0,1,0,0,0,1|2,0,0]=4 3155 B13R1.142 CNCc1ccc(cc1)OC(C)C 207a_100102657272_100000169837 [0,1,0,0,0,1|1,0,0]=3 3156 B13R1.142 CNCc1ccc(cc1)OC(C)C 2230a_100020586559_200000210301 [0,1,0,0,0,1|1,0,0]=3 3157 B13R1.142 CNCc1ccc(cc1)OC(C)C 26a_100102657272_100000757185 [0,1,0,0,0,1|1,0,0]=3 3158 B13R1.142 CNCc1ccc(cc1)OC(C)C 270004a_106832991635_100000169837 [0,1,0,0,0,1|1,0,0]=3 3159 B13R1.142 CNCc1ccc(cc1)OC(C)C 34a_100000207500_100000210206 [0,1,0,0,0,1|1,0,0]=3 3160 B13R1.142 CNCc1ccc(cc1)OC(C)C 34a_100020586559_200000210301 [0,1,0,0,0,1|1,0,0]=3 3161 B13R1.142 CNCc1ccc(cc1)SC(C)C 207a_100102657272_200011925711 [0,1,0,0,0,1|1,0,0]=3 3162 B13R1.142 CNCc1ccc(cc1)SC(C)C 269862a_106832991636_200011925711 [0,1,0,0,0,1|1,0,0]=3 3163 B13R1.142 CNCc1ccc(cc1)SC(C)C 270004a_106832991635_200011925711 [0,1,0,0,0,1|1,0,0]=3 3164 B13R1.142 CNCc1ccc(cc1)SC(C)C 62a_100000180866_100000210206 [0,1,0,0,0,1|1,0,0]=3 3165 B13R1.142 CNCc1ccc(cc1)SC(C)C 62a_100000210206_100000180866 [0,1,0,0,0,1|1,0,0]=3 3166 B13R1.142 CNCc1ccc(nc1)OC(C)C 207a_100102657272_100011998172 [0,1,0,0,0,1|2,0,0]=4 3167 B13R1.142 CNCc1ccc(nc1)OC(C)C 2230a_100000740622_200000210301 [0,1,0,0,0,1|2,0,0]=4 3168 B13R1.142 CNCc1ccc(nc1)OC(C)C 270004a_106832991635_100011998172 [0,1,0,0,0,1|2,0,0]=4 3169 B13R1.142 CNCc1ccc(nc1)OC(C)C 34a_100000740622_200000210301 [0,1,0,0,0,1|2,0,0]=4 3170 B13R1.142 CNCc1ccc(nc1)SC(C)C 62a_100000026953_100000210206 [0,1,0,0,0,1|2,0,0]=4 3171 B13R1.142 CNCc1ccc(nc1)SC(C)C 62a_100000210206_100000026953 [0,1,0,0,0,1|2,0,0]=4 3172 B13R1.142 COCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011493685 [0,1,0,0,0,1|0,0,1]=3 3173 B13R1.142 COCc1ccc(cc1)CC(=O)C 1458a_100011290826_200000210301 [0,1,0,0,0,1|1,0,1]=4 3174 B13R1.142 COCc1ccc(cc1)CC(=O)[13CH3] 1458a_100011290826_200025704644 [0,1,0,0,0,1|1,0,1]=4 3175 B13R1.142 COCc1ccc(cc1)CC(C)C 34a_100138415774_100011982790 [0,1,0,0,0,1|0,0,0]=2 3176 B13R1.142 COCc1ccc(cc1)CC(C)C 34a_200011266444_200000210301 [0,1,0,0,0,1|0,0,0]=2 3177 B13R1.142 COCc1ccc(cc1)CC(C)C 7a_200011266444_200000210301 [0,1,0,0,0,1|0,0,0]=2 3178 B13R1.142 COCc1ccc(cc1)NC(=O)C 11a_100000694113_100015343762 [0,1,0,0,0,1|1,0,1]=4 3179 B13R1.142 COCc1ccc(cc1)NC(=O)C 1626a_100000694113_100015343762 [0,1,0,0,0,1|1,0,1]=4 3180 B13R1.142 COCc1ccc(cc1)NC(=O)C 22a_100000694113_100000070787 [0,1,0,0,0,1|1,0,1]=4 3181 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100000246270_200000210301 [0,1,0,0,0,1|1,0,1]=4 3182 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100138415774_100000731167 [0,1,0,0,0,1|1,0,1]=4 3183 B13R1.142 COCc1ccc(cc1)NC(=O)C 527a_100000694113_100103153847 [0,1,0,0,0,1|1,0,1]=4 3184 B13R1.142 COCc1ccc(cc1)NC(=O)C 7a_100000246270_200000210301 [0,1,0,0,0,1|1,0,1]=4 3185 B13R1.142 COCc1ccc(cc1)NC(C)C 34a_100000694113_100000210206 [0,1,0,0,0,1|0,0,0]=2 3186 B13R1.142 COCc1ccc(cc1)OC(C)C 34a_100000173089_200000210301 [0,1,0,0,0,1|0,0,0]=2 3187 B13R1.142 COCc1ccc(cc1)OC(C)C 34a_200011995677_100000210206 [0,1,0,0,0,1|0,0,0]=2 3188 B13R1.142 COCc1ccc(cc1)OC(C)C 7a_100000173089_200000210301 [0,1,0,0,0,1|0,0,0]=2 3189 B13R1.142 COCc1ccc(cc1)OC(C)C 7a_200011995677_100000210206 [0,1,0,0,0,1|0,0,0]=2 3190 B13R1.142 COCc1ccc(cc1)OC(F)F 34a_100000742319_200000210301 [0,1,0,0,0,1|2,0,0]=4 3191 B13R1.142 COCc1ccc(cc1)OC(F)F 34a_100138415774_100011217905 [0,1,0,0,0,1|2,0,0]=4 3192 B13R1.142 COCc1ccc(cc1)OC(F)F 7a_100000742319_200000210301 [0,1,0,0,0,1|2,0,0]=4 3193 B13R1.142 COCc1ccc(cc1)SC(C)C 62a_100000210206_100011493685 [0,1,0,0,0,1|0,0,0]=2 3194 B13R1.142 COCc1ccc(cc1)SC(C)C 62a_100011493685_100000210206 [0,1,0,0,0,1|0,0,0]=2 3195 B13R1.142 CSCc1ccc(cc1)CC(C)C 62a_100011982790_200000210301 [0,1,0,0,0,1|0,1,0]=3 3196 B13R1.142 CSCc1ccc(cc1)CC(C)C 62a_200000210301_100011982790 [0,1,0,0,0,1|0,1,0]=3 3197 B13R1.142 CSCc1ccc(cc1)NC(C)C 2230a_106726388226_100000210206 [0,1,0,0,0,1|0,1,0]=3 3198 B13R1.142 CSCc1ccc(cc1)NC(C)C 34a_106726388226_100000210206 [0,1,0,0,0,1|0,1,0]=3 3199 B13R1.142 CSCc1ccc(cc1)NC(C)C 7a_106726388226_100000210206 [0,1,0,0,0,1|0,1,0]=3 3200 B13R1.142 CSCc1ccc(nc1)SC(C)C 62a_100000210206_100000753673 [0,1,0,0,0,1|1,1,0]=4 3201 B13R1.142 CSCc1ccc(nc1)SC(C)C 62a_100000753673_100000210206 [0,1,0,0,0,1|1,1,0]=4 3202 B13R1.142 [13CH3]OCc1ccc(cc1)OC(F)F 34a_100000742319_200025704644 [0,1,0,0,0,1|2,0,0]=4 3203 B13R1.142 [13CH3]OCc1ccc(cc1)OC(F)F 7a_100000742319_200025704644 [0,1,0,0,0,1|2,0,0]=4 3204 B13R1.585 C=C(C)c1ccc(cc1)CC(C)C 271570a_100000694244_100011221366 [0,1,0,0,0,1|1,0,1]=4 3205 B13R1.585 C=C(C)c1ccc(cc1)NC(C)C 271570a_100000694244_100000219625 [0,1,0,0,0,1|1,0,1]=4 3206 B13R1.585 C=C(C)c1ccc(cc1)OC(C)C 271570a_100000694244_100000169947 [0,1,0,0,0,1|1,0,1]=4 3207 B13R1.585 C=C(C)c1ccc(cc1)OC(C)C 34a_100009880102_100000210206 [0,1,0,0,0,1|1,0,1]=4 3208 B13R1.585 C=C(C)c1ccc(cc1)OC(C)C 7a_100009880102_100000210206 [0,1,0,0,0,1|1,0,1]=4 3209 B13R1.585 C=C(C)c1ccc(cc1)SC(C)C 271570a_100000694244_100009811894 [0,1,0,0,0,1|1,0,1]=4 3210 B13R1.585 C=C(C)c1ccc(cc1)SC(C)C 62a_100000185454_100000210206 [0,1,0,0,0,1|1,0,1]=4 3211 B13R1.585 C=C(C)c1ccc(cc1)SC(C)C 62a_100000210206_100000185454 [0,1,0,0,0,1|1,0,1]=4 3212 B13R1.585 CC(=Cc1ccc(cc1)B(O)O)C 271570a_100102525489_100000754493 [0,1,0,0,0,1|1,0,1]=4 3213 B13R1.585 CC(=Cc1ccc(cc1)C(C)C)C 271570a_100102525489_100000750031 [0,1,0,0,0,1|1,0,1]=4 3214 B13R1.585 CC(=Cc1ccc(cc1)C(C)O)C 271570a_100102525489_100000745893 [0,1,0,0,0,1|0,0,1]=3 3215 B13R1.585 CC(=Cc1ccc(cc1)C(F)F)C 271570a_100102525489_100010189923 [0,1,0,0,0,1|1,0,1]=4 3216 B13R1.585 CC(=Cc1ccc(cc1)[C@@H](C)N)C 271570a_100102525489_100000720352 [0,1,0,0,0,1|1,0,1]=4 3217 B13R1.585 CC(=Cc1ccc(cc1)[C@H](C)N)C 271570a_100102525489_100000753911 [0,1,0,0,0,1|1,0,1]=4 3218 B13R1.585 CC(=Cc1ccc(cn1)C(C)O)C 271570a_100102525489_200010274204 [0,1,0,0,0,1|1,0,1]=4 3219 B13R1.585 CC(=Cc1ccc(nc1)C(C)O)C 271570a_100102525489_100012353650 [0,1,0,0,0,1|1,0,1]=4 3220 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000070787 [0,1,0,0,0,1|1,0,1]=4 3221 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 527a_100011216399_100103153847 [0,1,0,0,0,1|1,0,1]=4 3222 B13R1.585 CC(=O)c1ccc(cc1)CC(C)C 1458a_100000185289_200000210301 [0,1,0,0,0,1|0,0,2]=4 3223 B13R1.585 CC(=O)c1ccc(cc1)OC(C)C 1458a_100000182917_200000210301 [0,1,0,0,0,1|0,0,2]=4 3224 B13R1.585 CC(=O)c1ccc(cc1)OC(C)C 34a_100000185113_100000210206 [0,1,0,0,0,1|0,0,2]=4 3225 B13R1.585 CC(=O)c1ccc(cc1)OC(C)C 7a_100000185113_100000210206 [0,1,0,0,0,1|0,0,2]=4 3226 B13R1.585 CC(=O)c1ccc(cc1)SC(C)C 1458a_100000244970_200000210301 [0,1,0,0,0,1|0,0,2]=4 3227 B13R1.585 CC(=O)c1ccc(cc1)SC(C)C 62a_100000185465_100000210206 [0,1,0,0,0,1|0,0,2]=4 3228 B13R1.585 CC(=O)c1ccc(cc1)SC(C)C 62a_100000210206_100000185465 [0,1,0,0,0,1|0,0,2]=4 3229 B13R1.585 CC(C)Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000185289_200025704644 [0,1,0,0,0,1|0,0,2]=4 3230 B13R1.585 CC(C)Nc1ccc(cc1)C(=O)N 27a_100138425928_100000162191 [0,1,0,0,0,1|0,0,2]=4 3231 B13R1.585 CC(C)Nc1ccc(cc1)C(=O)N 34a_100000210537_100000210206 [0,1,0,0,0,1|0,0,2]=4 3232 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 2230a_100000210773_100000210206 [0,1,0,0,0,1|1,0,0]=3 3233 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 34a_100000210773_100000210206 [0,1,0,0,0,1|1,0,0]=3 3234 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 7a_100000210773_100000210206 [0,1,0,0,0,1|1,0,0]=3 3235 B13R1.585 CC(C)Nc1ccc(cc1)C(C)O 2230a_100011216399_100000210206 [0,1,0,0,0,1|0,0,0]=2 3236 B13R1.585 CC(C)Nc1ccc(cc1)C(C)O 34a_100011216399_100000210206 [0,1,0,0,0,1|0,0,0]=2 3237 B13R1.585 CC(C)Nc1ccc(cc1)C(F)F 34a_100020620101_100000210206 [0,1,0,0,0,1|1,0,0]=3 3238 B13R1.585 CC(C)Nc1ccc(cc1)C(F)F 7a_100020620101_100000210206 [0,1,0,0,0,1|1,0,0]=3 3239 B13R1.585 CC(C)Nc1ccc(cc1)N(C)C 34a_100016997997_100000210206 [0,1,0,0,0,1|2,0,0]=4 3240 B13R1.585 CC(C)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210206 [0,1,0,0,0,1|1,0,1]=4 3241 B13R1.585 CC(C)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210206 [0,1,0,0,0,1|1,0,1]=4 3242 B13R1.585 CC(C)Oc1ccc(cc1)C(=O)N 34a_100000746352_100000210206 [0,1,0,0,0,1|0,0,2]=4 3243 B13R1.585 CC(C)Oc1ccc(cc1)C(=O)N 7a_100000746352_100000210206 [0,1,0,0,0,1|0,0,2]=4 3244 B13R1.585 CC(C)Oc1ccc(cc1)C(=O)[13CH3] 1458a_100000182917_200025704644 [0,1,0,0,0,1|0,0,2]=4 3245 B13R1.585 CC(C)Oc1ccc(cc1)C(C)C 34a_100000181308_100000210206 [0,1,0,0,0,1|1,0,0]=3 3246 B13R1.585 CC(C)Oc1ccc(cc1)C(C)C 7a_100000181308_100000210206 [0,1,0,0,0,1|1,0,0]=3 3247 B13R1.585 CC(C)Oc1ccc(cc1)C(C)O 34a_100000754508_100000210206 [0,1,0,0,0,1|0,0,0]=2 3248 B13R1.585 CC(C)Oc1ccc(cc1)C(C)O 7a_100000754508_100000210206 [0,1,0,0,0,1|0,0,0]=2 3249 B13R1.585 CC(C)Oc1ccc(cc1)N(C)C 34a_100000718910_100000210206 [0,1,0,0,0,1|2,0,0]=4 3250 B13R1.585 CC(C)Oc1ccc(cc1)S(=O)C 34a_200000064373_100000210206 [0,1,0,0,0,1|1,0,1]=4 3251 B13R1.585 CC(C)Oc1ccc(cc1)S(=O)C 7a_200000064373_100000210206 [0,1,0,0,0,1|1,0,1]=4 3252 B13R1.585 CC(C)Oc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210206 [0,1,0,0,0,1|1,0,0]=3 3253 B13R1.585 CC(C)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210206 [0,1,0,0,0,1|1,0,1]=4 3254 B13R1.585 CC(C)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210206 [0,1,0,0,0,1|1,0,1]=4 3255 B13R1.585 CC(C)Oc1ccc(cc1)[S+](C)C 34a_100010188728_100000210206 [0,1,0,0,0,1|2,0,0]=4 3256 B13R1.585 CC(C)Oc1ccc(cc1)[S+](C)C 7a_100010188728_100000210206 [0,1,0,0,0,1|2,0,0]=4 3257 B13R1.585 CC(C)Sc1ccc(cc1)B(O)O 62a_100000210206_100000754493 [0,1,0,0,0,1|1,0,0]=3 3258 B13R1.585 CC(C)Sc1ccc(cc1)B(O)O 62a_100000754493_100000210206 [0,1,0,0,0,1|1,0,0]=3 3259 B13R1.585 CC(C)Sc1ccc(cc1)C(=O)N 62a_100000162191_100000210206 [0,1,0,0,0,1|0,0,2]=4 3260 B13R1.585 CC(C)Sc1ccc(cc1)C(=O)N 62a_100000210206_100000162191 [0,1,0,0,0,1|0,0,2]=4 3261 B13R1.585 CC(C)Sc1ccc(cc1)C(=O)[13CH3] 1458a_100000244970_200025704644 [0,1,0,0,0,1|0,0,2]=4 3262 B13R1.585 CC(C)Sc1ccc(cc1)C(C)C 62a_100000210206_100000750031 [0,1,0,0,0,1|1,0,0]=3 3263 B13R1.585 CC(C)Sc1ccc(cc1)C(C)C 62a_100000750031_100000210206 [0,1,0,0,0,1|1,0,0]=3 3264 B13R1.585 CC(C)Sc1ccc(cc1)C(C)O 62a_100000210206_100000745893 [0,1,0,0,0,1|0,0,0]=2 3265 B13R1.585 CC(C)Sc1ccc(cc1)C(C)O 62a_100000745893_100000210206 [0,1,0,0,0,1|0,0,0]=2 3266 B13R1.585 CC(C)Sc1ccc(cc1)C(F)F 62a_100000210206_100000687661 [0,1,0,0,0,1|1,0,0]=3 3267 B13R1.585 CC(C)Sc1ccc(cc1)C(F)F 62a_100000687661_100000210206 [0,1,0,0,0,1|1,0,0]=3 3268 B13R1.585 CC(C)Sc1ccc(cc1)N(C)C 62a_100000210206_100000210421 [0,1,0,0,0,1|2,0,0]=4 3269 B13R1.585 CC(C)Sc1ccc(cc1)N(C)C 62a_100000210421_100000210206 [0,1,0,0,0,1|2,0,0]=4 3270 B13R1.585 CC(C)Sc1ccc(cc1)S(=O)C 62a_100009816266_100000210206 [0,1,0,0,0,1|1,0,1]=4 3271 B13R1.585 CC(C)Sc1ccc(cc1)[C@@H](C)N 62a_100000210206_100000720352 [0,1,0,0,0,1|1,0,0]=3 3272 B13R1.585 CC(C)Sc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210206 [0,1,0,0,0,1|1,0,0]=3 3273 B13R1.585 CC(C)Sc1ccc(cc1)[C@H](C)N 62a_100000210206_100000753911 [0,1,0,0,0,1|1,0,0]=3 3274 B13R1.585 CC(C)Sc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210206 [0,1,0,0,0,1|1,0,0]=3 3275 B13R1.585 CC(C)Sc1ccc(cn1)B(O)O 62a_100000210206_100000688115 [0,1,0,0,0,1|2,0,0]=4 3276 B13R1.585 CC(C)Sc1ccc(cn1)B(O)O 62a_100000688115_100000210206 [0,1,0,0,0,1|2,0,0]=4 3277 B13R1.585 CC(C)Sc1ccc(cn1)C(C)C 62a_100000210206_200009815286 [0,1,0,0,0,1|2,0,0]=4 3278 B13R1.585 CC(C)Sc1ccc(cn1)C(C)C 62a_200009815286_100000210206 [0,1,0,0,0,1|2,0,0]=4 3279 B13R1.585 CC(C)Sc1ccc(cn1)C(C)O 62a_100000210206_200010274204 [0,1,0,0,0,1|1,0,0]=3 3280 B13R1.585 CC(C)Sc1ccc(cn1)C(C)O 62a_200010274204_100000210206 [0,1,0,0,0,1|1,0,0]=3 3281 B13R1.585 CC(C)Sc1ccc(cn1)C(F)F 62a_100000210206_100009880897 [0,1,0,0,0,1|2,0,0]=4 3282 B13R1.585 CC(C)Sc1ccc(cn1)C(F)F 62a_100009880897_100000210206 [0,1,0,0,0,1|2,0,0]=4 3283 B13R1.585 CC(C)Sc1ccc(cn1)[C@H](C)N 62a_100000210206_100015387476 [0,1,0,0,0,1|2,0,0]=4 3284 B13R1.585 CC(C)Sc1ccc(cn1)[C@H](C)N 62a_100015387476_100000210206 [0,1,0,0,0,1|2,0,0]=4 3285 B13R1.585 CC(C)Sc1ccc(nc1)B(O)O 62a_100000210206_200010198023 [0,1,0,0,0,1|2,0,0]=4 3286 B13R1.585 CC(C)Sc1ccc(nc1)B(O)O 62a_200010198023_100000210206 [0,1,0,0,0,1|2,0,0]=4 3287 B13R1.585 CC(C)Sc1ccc(nc1)C(C)C 62a_100000210206_100010255768 [0,1,0,0,0,1|2,0,0]=4 3288 B13R1.585 CC(C)Sc1ccc(nc1)C(C)C 62a_100010255768_100000210206 [0,1,0,0,0,1|2,0,0]=4 3289 B13R1.585 CC(C)Sc1ccc(nc1)C(C)N 62a_100000210206_100000723930 [0,1,0,0,0,1|2,0,0]=4 3290 B13R1.585 CC(C)Sc1ccc(nc1)C(C)N 62a_100000723930_100000210206 [0,1,0,0,0,1|2,0,0]=4 3291 B13R1.585 CC(C)Sc1ccc(nc1)C(C)O 62a_100000210206_100012353650 [0,1,0,0,0,1|1,0,0]=3 3292 B13R1.585 CC(C)Sc1ccc(nc1)C(C)O 62a_100012353650_100000210206 [0,1,0,0,0,1|1,0,0]=3 3293 B13R1.585 CC(C)Sc1ccc(nc1)C(F)F 62a_100000210206_100010253924 [0,1,0,0,0,1|2,0,0]=4 3294 B13R1.585 CC(C)Sc1ccc(nc1)C(F)F 62a_100010253924_100000210206 [0,1,0,0,0,1|2,0,0]=4 3295 B13R1.585 CC(C)c1ccc(cc1)CN(C)C 2230a_100102631434_100000181262 [0,1,0,0,0,1|2,0,0]=4 3296 B13R1.585 CC(C)c1ccc(cc1)CN(C)C 269982a_100102631434_100000181262 [0,1,0,0,0,1|2,0,0]=4 3297 B13R1.585 CC(C)c1ccc(cc1)CN(C)C 270004a_100102631434_100000210693 [0,1,0,0,0,1|2,0,0]=4 3298 B13R1.585 CN(C)Cc1ccc(cc1)B(O)O 2230a_100102631434_100009813762 [0,1,0,0,0,1|2,0,0]=4 3299 B13R1.585 CN(C)Cc1ccc(cc1)B(O)O 269982a_100102631434_100009813762 [0,1,0,0,0,1|2,0,0]=4 3300 B13R1.585 CN(C)Cc1ccc(cc1)C(F)F 2230a_100102631434_200012343607 [0,1,0,0,0,1|2,0,0]=4 3301 B13R1.585 CN(C)Cc1ccc(cc1)C(F)F 269982a_100102631434_200012343607 [0,1,0,0,0,1|2,0,0]=4 3302 B13R1.653 C=Cc1ccc(c(c1)C)OC(C)C 271570a_100011290941_200011825982 [0,1,0,0,0,1|1,0,1]=4 3303 B13R1.653 C=Cc1ccc(c(c1)F)OC(C)C 271570a_100011290941_100009811877 [0,1,0,0,0,1|1,0,1]=4 3304 B13R1.653 C=Cc1ccc(c(c1)N)OC(C)C 271570a_100011290941_100000690130 [0,1,0,0,0,1|1,0,1]=4 3305 B13R1.653 CC(=Cc1ccc(cc1C)CN)C 271570a_100102525489_100015205234 [0,1,0,0,0,1|1,0,1]=4 3306 B13R1.653 CC(=Cc1ccc(cc1C)CO)C 271570a_100102525489_100000718852 [0,1,0,0,0,1|0,0,1]=3 3307 B13R1.653 CC(=Cc1ccc(cc1Cl)CO)C 271570a_100102525489_100000718186 [0,1,0,0,0,1|0,0,1]=3 3308 B13R1.653 CC(=Cc1ccc(cc1F)CN)C 271570a_100102525489_100000755036 [0,1,0,0,0,1|1,0,1]=4 3309 B13R1.653 CC(=Cc1ccc(cc1F)CO)C 271570a_100102525489_100011533735 [0,1,0,0,0,1|0,0,1]=3 3310 B13R1.653 CC(=Cc1ccc(cc1N)CO)C 271570a_100102525489_100012347568 [0,1,0,0,0,1|0,0,1]=3 3311 B13R1.653 CC(=Cc1ccc(cc1O)CO)C 271570a_100102525489_100000049605 [0,1,0,0,0,1|0,0,1]=3 3312 B13R1.653 CC(=Cc1ccc(nc1C)CO)C 271570a_100102525489_100010114280 [0,1,0,0,0,1|1,0,1]=4 3313 B13R1.653 CC(=Cc1cnc(cc1C)CO)C 271570a_100102525489_200010713146 [0,1,0,0,0,1|1,0,1]=4 3314 B13R1.653 CC(=Cc1ncc(cc1C)CO)C 271570a_100102525489_200000092119 [0,1,0,0,0,1|1,0,1]=4 3315 B13R1.653 CC(=Cc1ncc(cc1F)CO)C 271570a_100102525489_100010065243 [0,1,0,0,0,1|1,0,1]=4 3316 B13R1.653 CC(=O)Nc1ccc(cc1C)CO 22a_200011997030_100000070787 [0,1,0,0,0,1|1,0,1]=4 3317 B13R1.653 CC(C)Nc1ccc(cc1Br)C#N 34a_100000736769_100000210206 [0,1,0,0,0,1|1,0,1]=4 3318 B13R1.653 CC(C)Nc1ccc(cc1Br)C#N 7a_100000736769_100000210206 [0,1,0,0,0,1|1,0,1]=4 3319 B13R1.653 CC(C)Nc1ccc(cc1Cl)C#N 34a_100000690208_100000210206 [0,1,0,0,0,1|1,0,1]=4 3320 B13R1.653 CC(C)Nc1ccc(cc1Cl)C#N 7a_100000690208_100000210206 [0,1,0,0,0,1|1,0,1]=4 3321 B13R1.653 CC(C)Nc1ccc(cc1F)C#N 34a_100000760432_100000210206 [0,1,0,0,0,1|1,0,1]=4 3322 B13R1.653 CC(C)Nc1ccc(cc1F)C#N 7a_100000760432_100000210206 [0,1,0,0,0,1|1,0,1]=4 3323 B13R1.653 CC(C)Nc1ccc(cc1F)CO 2230a_100011217239_100000210206 [0,1,0,0,0,1|0,0,0]=2 3324 B13R1.653 CC(C)Nc1ccc(cc1F)CO 34a_100011217239_100000210206 [0,1,0,0,0,1|0,0,0]=2 3325 B13R1.653 CC(C)Nc1ccc(cc1I)C#N 7a_100000067503_100000210206 [0,1,0,0,0,1|1,0,1]=4 3326 B13R1.653 CC(C)Nc1ccc(cc1O)C#N 34a_100011997735_100000210206 [0,1,0,0,0,1|1,0,1]=4 3327 B13R1.653 CC(C)Oc1ccc(cc1Br)C#N 34a_100011216086_100000210206 [0,1,0,0,0,1|1,0,1]=4 3328 B13R1.653 CC(C)Oc1ccc(cc1Br)C#N 7a_100011216086_100000210206 [0,1,0,0,0,1|1,0,1]=4 3329 B13R1.653 CC(C)Oc1ccc(cc1Br)CO 34a_100011191544_100000210206 [0,1,0,0,0,1|0,0,0]=2 3330 B13R1.653 CC(C)Oc1ccc(cc1Br)CO 7a_100011191544_100000210206 [0,1,0,0,0,1|0,0,0]=2 3331 B13R1.653 CC(C)Oc1ccc(cc1Br)N[13CH3] 2230a_200000706018_200025704644 [0,1,0,0,0,1|2,0,0]=4 3332 B13R1.653 CC(C)Oc1ccc(cc1Br)N[13CH3] 34a_200000706018_200025704644 [0,1,0,0,0,1|2,0,0]=4 3333 B13R1.653 CC(C)Oc1ccc(cc1Br)N[13CH3] 7a_200000706018_200025704644 [0,1,0,0,0,1|2,0,0]=4 3334 B13R1.653 CC(C)Oc1ccc(cc1Cl)C#N 34a_100000205955_100000210206 [0,1,0,0,0,1|1,0,1]=4 3335 B13R1.653 CC(C)Oc1ccc(cc1Cl)C#N 7a_100000205955_100000210206 [0,1,0,0,0,1|1,0,1]=4 3336 B13R1.653 CC(C)Oc1ccc(cc1Cl)N[13CH3] 2230a_100000737677_200025704644 [0,1,0,0,0,1|2,0,0]=4 3337 B13R1.653 CC(C)Oc1ccc(cc1Cl)N[13CH3] 34a_100000737677_200025704644 [0,1,0,0,0,1|2,0,0]=4 3338 B13R1.653 CC(C)Oc1ccc(cc1Cl)N[13CH3] 7a_100000737677_200025704644 [0,1,0,0,0,1|2,0,0]=4 3339 B13R1.653 CC(C)Oc1ccc(cc1F)C#N 34a_100000751310_100000210206 [0,1,0,0,0,1|1,0,1]=4 3340 B13R1.653 CC(C)Oc1ccc(cc1F)C#N 7a_100000751310_100000210206 [0,1,0,0,0,1|1,0,1]=4 3341 B13R1.653 CC(C)Oc1ccc(cc1F)CN 34a_100000758358_100000210206 [0,1,0,0,0,1|1,0,0]=3 3342 B13R1.653 CC(C)Oc1ccc(cc1F)S[13CH3] 62a_100009811877_200025704644 [0,1,0,0,0,1|2,0,0]=4 3343 B13R1.653 CC(C)Oc1ccc(cc1F)S[13CH3] 62a_200025704644_100009811877 [0,1,0,0,0,1|2,0,0]=4 3344 B13R1.653 CC(C)Oc1ccc(cc1I)C#N 34a_100000725478_100000210206 [0,1,0,0,0,1|1,0,1]=4 3345 B13R1.653 CC(C)Oc1ccc(cc1I)C#N 7a_100000725478_100000210206 [0,1,0,0,0,1|1,0,1]=4 3346 B13R1.653 CC(C)Oc1ccc(cc1N)C#N 34a_100000766272_100000210206 [0,1,0,0,0,1|1,0,1]=4 3347 B13R1.653 CC(C)Oc1ccc(cc1N)C#N 7a_100000766272_100000210206 [0,1,0,0,0,1|1,0,1]=4 3348 B13R1.653 CC(C)Oc1ccc(cc1N)CO 34a_100000123545_100000210206 [0,1,0,0,0,1|0,0,0]=2 3349 B13R1.653 CC(C)Oc1ccc(cc1N)S[13CH3] 62a_100000690130_200025704644 [0,1,0,0,0,1|2,0,0]=4 3350 B13R1.653 CC(C)Oc1ccc(cc1N)S[13CH3] 62a_200025704644_100000690130 [0,1,0,0,0,1|2,0,0]=4 3351 B13R1.653 CC(C)Oc1ccc(cc1O)C=O 271570a_203496583355_200000173091 [0,1,0,0,0,1|0,0,2]=4 3352 B13R1.653 CC(C)Oc1ccc(nc1Br)CO 34a_200009817064_100000210206 [0,1,0,0,0,1|1,0,0]=3 3353 B13R1.653 CC(C)Oc1ccc(nc1Br)CO 7a_200009817064_100000210206 [0,1,0,0,0,1|1,0,0]=3 3354 B13R1.653 CC(C)Oc1ccc(nc1Cl)CO 34a_200000118097_100000210206 [0,1,0,0,0,1|1,0,0]=3 3355 B13R1.653 CC(C)Oc1ccc(nc1Cl)CO 7a_200000118097_100000210206 [0,1,0,0,0,1|1,0,0]=3 3356 B13R1.653 CC(C)Oc1coc(cc1=O)CCl 34a_100000010605_100000210206 [0,1,0,0,0,1|2,0,0]=4 3357 B13R1.653 CC(C)Oc1coc(cc1=O)CO 34a_100000211585_100000210206 [0,1,0,0,0,1|1,0,0]=3 3358 B13R1.653 CC(C)Sc1ccc(cc1Br)C#N 62a_100000210206_100012356348 [0,1,0,0,0,1|1,0,1]=4 3359 B13R1.653 CC(C)Sc1ccc(cc1Cl)C#N 62a_100000210206_100012349663 [0,1,0,0,0,1|1,0,1]=4 3360 B13R1.653 CC(C)Sc1ccc(cc1Cl)CO 62a_100000210206_100000718186 [0,1,0,0,0,1|0,0,0]=2 3361 B13R1.653 CC(C)Sc1ccc(cc1Cl)CO 62a_100000718186_100000210206 [0,1,0,0,0,1|0,0,0]=2 3362 B13R1.653 CC(C)Sc1ccc(cc1F)C#N 62a_100000210206_100000050172 [0,1,0,0,0,1|1,0,1]=4 3363 B13R1.653 CC(C)Sc1ccc(cc1F)C=O 62a_100000210206_100000686674 [0,1,0,0,0,1|0,0,2]=4 3364 B13R1.653 CC(C)Sc1ccc(cc1F)C=O 62a_100000686674_100000210206 [0,1,0,0,0,1|0,0,2]=4 3365 B13R1.653 CC(C)Sc1ccc(cc1F)CN 62a_100000210206_100000755036 [0,1,0,0,0,1|1,0,0]=3 3366 B13R1.653 CC(C)Sc1ccc(cc1F)CN 62a_100000755036_100000210206 [0,1,0,0,0,1|1,0,0]=3 3367 B13R1.653 CC(C)Sc1ccc(cc1F)CO 62a_100000210206_100011533735 [0,1,0,0,0,1|0,0,0]=2 3368 B13R1.653 CC(C)Sc1ccc(cc1F)CO 62a_100011533735_100000210206 [0,1,0,0,0,1|0,0,0]=2 3369 B13R1.653 CC(C)Sc1ccc(cc1F)NN 62a_100000210206_100016992936 [0,1,0,0,0,1|2,0,0]=4 3370 B13R1.653 CC(C)Sc1ccc(cc1F)NN 62a_100016992936_100000210206 [0,1,0,0,0,1|2,0,0]=4 3371 B13R1.653 CC(C)Sc1ccc(cc1N)C#N 62a_100000210206_100012001879 [0,1,0,0,0,1|1,0,1]=4 3372 B13R1.653 CC(C)Sc1ccc(cc1N)CO 62a_100000210206_100012347568 [0,1,0,0,0,1|0,0,0]=2 3373 B13R1.653 CC(C)Sc1ccc(cc1N)CO 62a_100012347568_100000210206 [0,1,0,0,0,1|0,0,0]=2 3374 B13R1.653 CC(C)Sc1ccc(cc1O)C#N 62a_100000210206_100009877741 [0,1,0,0,0,1|1,0,1]=4 3375 B13R1.653 CC(C)Sc1ccc(cc1O)C=O 62a_100000041418_100000210206 [0,1,0,0,0,1|0,0,2]=4 3376 B13R1.653 CC(C)Sc1ccc(cc1O)C=O 62a_100000210206_100000041418 [0,1,0,0,0,1|0,0,2]=4 3377 B13R1.653 CC(C)Sc1ccc(cc1O)CO 62a_100000049605_100000210206 [0,1,0,0,0,1|0,0,0]=2 3378 B13R1.653 CC(C)Sc1ccc(cc1O)CO 62a_100000210206_100000049605 [0,1,0,0,0,1|0,0,0]=2 3379 B13R1.653 CC(C)Sc1ncc(cc1F)CO 62a_100000210206_100010065243 [0,1,0,0,0,1|1,0,0]=3 3380 B13R1.653 CC(C)Sc1ncc(cc1F)CO 62a_100010065243_100000210206 [0,1,0,0,0,1|1,0,0]=3 3381 B13R1.653 CCc1ccc(c(c1)Br)C=C(C)C 271570a_100102525489_200009997437 [0,1,0,0,0,1|1,0,1]=4 3382 B13R1.653 CCc1ccc(c(c1)Br)NC(C)C 2230a_100012339725_100000210206 [0,1,0,0,0,1|1,0,0]=3 3383 B13R1.653 CCc1ccc(c(c1)Br)NC(C)C 34a_100012339725_100000210206 [0,1,0,0,0,1|1,0,0]=3 3384 B13R1.653 CCc1ccc(c(c1)Br)OC(C)C 34a_100012339963_100000210206 [0,1,0,0,0,1|1,0,0]=3 3385 B13R1.653 CCc1ccc(c(c1)Br)OC(C)C 7a_100012339963_100000210206 [0,1,0,0,0,1|1,0,0]=3 3386 B13R1.653 CCc1ccc(c(c1)Br)SC(C)C 62a_100000210206_200009997437 [0,1,0,0,0,1|1,0,0]=3 3387 B13R1.653 CCc1ccc(c(c1)Br)SC(C)C 62a_200009997437_100000210206 [0,1,0,0,0,1|1,0,0]=3 3388 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 2230a_100011226020_100000210206 [0,1,0,0,0,1|1,0,0]=3 3389 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 34a_100011226020_100000210206 [0,1,0,0,0,1|1,0,0]=3 3390 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 7a_100011226020_100000210206 [0,1,0,0,0,1|1,0,0]=3 3391 B13R1.653 CCc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_200010339503 [0,1,0,0,0,1|1,0,1]=4 3392 B13R1.653 CCc1ccc(c(c1)F)CN(C)C 270004a_100102631434_100011156597 [0,1,0,0,0,1|2,0,0]=4 3393 B13R1.653 CCc1ccc(c(c1)F)NC(C)C 2230a_100016177294_100000210206 [0,1,0,0,0,1|1,0,0]=3 3394 B13R1.653 CCc1ccc(c(c1)F)NC(C)C 34a_100016177294_100000210206 [0,1,0,0,0,1|1,0,0]=3 3395 B13R1.653 CCc1ccc(c(c1)F)SC(C)C 62a_100000210206_200010339503 [0,1,0,0,0,1|1,0,0]=3 3396 B13R1.653 CCc1ccc(c(c1)F)SC(C)C 62a_200010339503_100000210206 [0,1,0,0,0,1|1,0,0]=3 3397 B13R1.653 CCc1ccc(c(c1)N)OC(C)C 34a_100000765835_100000210206 [0,1,0,0,0,1|1,0,0]=3 3398 B13R1.653 CCc1ccc(c(c1)N)OC(C)C 7a_100000765835_100000210206 [0,1,0,0,0,1|1,0,0]=3 3399 B13R1.653 CCc1ccc(c(c1)O)NC(C)C 34a_100000124328_100000210206 [0,1,0,0,0,1|1,0,0]=3 3400 B13R1.653 CNc1ccc(c(c1)Br)OC(C)C 2230a_200000706018_200000210301 [0,1,0,0,0,1|2,0,0]=4 3401 B13R1.653 CNc1ccc(c(c1)Br)OC(C)C 34a_200000706018_200000210301 [0,1,0,0,0,1|2,0,0]=4 3402 B13R1.653 CNc1ccc(c(c1)Br)OC(C)C 7a_200000706018_200000210301 [0,1,0,0,0,1|2,0,0]=4 3403 B13R1.653 CNc1ccc(c(c1)C)SC(C)C 62a_100000210206_100102888905 [0,1,0,0,0,1|2,0,0]=4 3404 B13R1.653 CNc1ccc(c(c1)C)SC(C)C 62a_100102888905_100000210206 [0,1,0,0,0,1|2,0,0]=4 3405 B13R1.653 CNc1ccc(c(c1)Cl)OC(C)C 2230a_100000737677_200000210301 [0,1,0,0,0,1|2,0,0]=4 3406 B13R1.653 CNc1ccc(c(c1)Cl)OC(C)C 34a_100000737677_200000210301 [0,1,0,0,0,1|2,0,0]=4 3407 B13R1.653 CNc1ccc(c(c1)Cl)OC(C)C 7a_100000737677_200000210301 [0,1,0,0,0,1|2,0,0]=4 3408 B13R1.653 CNc1ccc(c(c1)F)SC(C)C 62a_100000210206_100012285320 [0,1,0,0,0,1|2,0,0]=4 3409 B13R1.653 CNc1ccc(c(c1)F)SC(C)C 62a_100012285320_100000210206 [0,1,0,0,0,1|2,0,0]=4 3410 B13R1.653 COc1ccc(c(c1)Br)NC(C)C 34a_100015195136_100000210206 [0,1,0,0,0,1|2,0,0]=4 3411 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 34a_100000685887_100000210206 [0,1,0,0,0,1|2,0,0]=4 3412 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 7a_100000685887_100000210206 [0,1,0,0,0,1|2,0,0]=4 3413 B13R1.653 COc1ccc(c(c1)Br)SC(C)C 62a_100000210206_100012349170 [0,1,0,0,0,1|2,0,0]=4 3414 B13R1.653 COc1ccc(c(c1)Br)SC(C)C 62a_100012349170_100000210206 [0,1,0,0,0,1|2,0,0]=4 3415 B13R1.653 COc1ccc(c(c1)C)NC(C)C 34a_100000750285_100000210206 [0,1,0,0,0,1|2,0,0]=4 3416 B13R1.653 COc1ccc(c(c1)C)OC(C)C 34a_100012002223_100000210206 [0,1,0,0,0,1|2,0,0]=4 3417 B13R1.653 COc1ccc(c(c1)C)OC(C)C 7a_100012002223_100000210206 [0,1,0,0,0,1|2,0,0]=4 3418 B13R1.653 COc1ccc(c(c1)C)SC(C)C 62a_100000210206_100000759875 [0,1,0,0,0,1|2,0,0]=4 3419 B13R1.653 COc1ccc(c(c1)C)SC(C)C 62a_100000759875_100000210206 [0,1,0,0,0,1|2,0,0]=4 3420 B13R1.653 COc1ccc(c(c1)Cl)NC(C)C 34a_100000747055_100000210206 [0,1,0,0,0,1|2,0,0]=4 3421 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 34a_100000038596_100000210206 [0,1,0,0,0,1|2,0,0]=4 3422 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 7a_100000038596_100000210206 [0,1,0,0,0,1|2,0,0]=4 3423 B13R1.653 COc1ccc(c(c1)F)NC(C)C 34a_100011299463_100000210206 [0,1,0,0,0,1|2,0,0]=4 3424 B13R1.653 COc1ccc(c(c1)F)OC(C)C 34a_100000036999_100000210206 [0,1,0,0,0,1|2,0,0]=4 3425 B13R1.653 COc1ccc(c(c1)F)OC(C)C 7a_100000036999_100000210206 [0,1,0,0,0,1|2,0,0]=4 3426 B13R1.653 COc1ccc(c(c1)F)SC(C)C 62a_100000210206_100000753793 [0,1,0,0,0,1|2,0,0]=4 3427 B13R1.653 COc1ccc(c(c1)F)SC(C)C 62a_100000753793_100000210206 [0,1,0,0,0,1|2,0,0]=4 3428 B13R1.653 COc1ccc(c(c1)I)NC(C)C 34a_100000049804_100000210206 [0,1,0,0,0,1|2,0,0]=4 3429 B13R1.653 COc1ccc(c(c1)N)OC(C)C 34a_100000188146_100000210206 [0,1,0,0,0,1|2,0,0]=4 3430 B13R1.653 COc1ccc(c(c1)N)SC(C)C 62a_100000210206_100000748021 [0,1,0,0,0,1|2,0,0]=4 3431 B13R1.653 COc1ccc(c(c1)N)SC(C)C 62a_100000748021_100000210206 [0,1,0,0,0,1|2,0,0]=4 3432 B13R1.653 COc1ccc(c(c1)O)NC(C)C 34a_100016989039_100000210206 [0,1,0,0,0,1|2,0,0]=4 3433 B13R1.653 COc1ccc(c(c1)O)SC(C)C 62a_100000210206_100000719091 [0,1,0,0,0,1|2,0,0]=4 3434 B13R1.653 CSc1ccc(c(c1)C)OC(C)C 62a_200000210301_200011825982 [0,1,0,0,0,1|2,0,0]=4 3435 B13R1.653 CSc1ccc(c(c1)C)OC(C)C 62a_200011825982_200000210301 [0,1,0,0,0,1|2,0,0]=4 3436 B13R1.653 CSc1ccc(c(c1)F)NC(C)C 34a_100012056844_100000210206 [0,1,0,0,0,1|2,0,0]=4 3437 B13R1.653 CSc1ccc(c(c1)F)OC(C)C 62a_100009811877_200000210301 [0,1,0,0,0,1|2,0,0]=4 3438 B13R1.653 CSc1ccc(c(c1)F)OC(C)C 62a_200000210301_100009811877 [0,1,0,0,0,1|2,0,0]=4 3439 B13R1.653 CSc1ccc(c(c1)F)SC(C)C 62a_100000210206_100009816902 [0,1,0,0,0,1|2,0,0]=4 3440 B13R1.653 CSc1ccc(c(c1)F)SC(C)C 62a_100009816902_100000210206 [0,1,0,0,0,1|2,0,0]=4 3441 B13R1.653 CSc1ccc(c(c1)N)OC(C)C 62a_100000690130_200000210301 [0,1,0,0,0,1|2,0,0]=4 3442 B13R1.653 CSc1ccc(c(c1)N)OC(C)C 62a_200000210301_100000690130 [0,1,0,0,0,1|2,0,0]=4 3443 B13R1.653 Cc1cc(ccc1CN(C)C)CO 270004a_100102631434_100015695768 [0,1,0,0,0,1|1,0,0]=3 3444 B13R1.653 Cc1cc(ccc1NC(C)C)C#N 34a_100011216260_100000210206 [0,1,0,0,0,1|1,0,1]=4 3445 B13R1.653 Cc1cc(ccc1NC(C)C)C#N 7a_100011216260_100000210206 [0,1,0,0,0,1|1,0,1]=4 3446 B13R1.653 Cc1cc(ccc1NC(C)C)CO 2230a_200011997030_100000210206 [0,1,0,0,0,1|0,0,0]=2 3447 B13R1.653 Cc1cc(ccc1NC(C)C)CO 34a_200011997030_100000210206 [0,1,0,0,0,1|0,0,0]=2 3448 B13R1.653 Cc1cc(ccc1OC(C)C)C#N 34a_100000749339_100000210206 [0,1,0,0,0,1|1,0,1]=4 3449 B13R1.653 Cc1cc(ccc1OC(C)C)C#N 7a_100000749339_100000210206 [0,1,0,0,0,1|1,0,1]=4 3450 B13R1.653 Cc1cc(ccc1OC(C)C)CO 34a_100000075815_100000210206 [0,1,0,0,0,1|0,0,0]=2 3451 B13R1.653 Cc1cc(ccc1OC(C)C)CO 7a_100000075815_100000210206 [0,1,0,0,0,1|0,0,0]=2 3452 B13R1.653 Cc1cc(ccc1OC(C)C)S[13CH3] 62a_200011825982_200025704644 [0,1,0,0,0,1|2,0,0]=4 3453 B13R1.653 Cc1cc(ccc1OC(C)C)S[13CH3] 62a_200025704644_200011825982 [0,1,0,0,0,1|2,0,0]=4 3454 B13R1.653 Cc1cc(ccc1SC(C)C)C#N 62a_100000210206_100000212329 [0,1,0,0,0,1|1,0,1]=4 3455 B13R1.653 Cc1cc(ccc1SC(C)C)C=O 62a_100000210206_100000765772 [0,1,0,0,0,1|0,0,2]=4 3456 B13R1.653 Cc1cc(ccc1SC(C)C)C=O 62a_100000765772_100000210206 [0,1,0,0,0,1|0,0,2]=4 3457 B13R1.653 Cc1cc(ccc1SC(C)C)CN 62a_100000210206_100015205234 [0,1,0,0,0,1|1,0,0]=3 3458 B13R1.653 Cc1cc(ccc1SC(C)C)CN 62a_100015205234_100000210206 [0,1,0,0,0,1|1,0,0]=3 3459 B13R1.653 Cc1cc(ccc1SC(C)C)CO 62a_100000210206_100000718852 [0,1,0,0,0,1|0,0,0]=2 3460 B13R1.653 Cc1cc(ccc1SC(C)C)CO 62a_100000718852_100000210206 [0,1,0,0,0,1|0,0,0]=2 3461 B13R1.653 Cc1cc(ccc1SC(C)C)NN 62a_100000210206_100000745493 [0,1,0,0,0,1|2,0,0]=4 3462 B13R1.653 Cc1cc(ccc1SC(C)C)NN 62a_100000745493_100000210206 [0,1,0,0,0,1|2,0,0]=4 3463 B13R1.653 Cc1cc(cnc1SC(C)C)CO 62a_100000210206_200000092119 [0,1,0,0,0,1|1,0,0]=3 3464 B13R1.653 Cc1cc(cnc1SC(C)C)CO 62a_200000092119_100000210206 [0,1,0,0,0,1|1,0,0]=3 3465 B13R1.653 Cc1cc(ncc1SC(C)C)CO 62a_100000210206_200010713146 [0,1,0,0,0,1|1,0,0]=3 3466 B13R1.653 Cc1cc(ncc1SC(C)C)CO 62a_200010713146_100000210206 [0,1,0,0,0,1|1,0,0]=3 3467 B13R1.653 Cc1nc(ccc1SC(C)C)CO 62a_100000210206_100010114280 [0,1,0,0,0,1|1,0,0]=3 3468 B13R1.653 Cc1nc(ccc1SC(C)C)CO 62a_100010114280_100000210206 [0,1,0,0,0,1|1,0,0]=3 3469 B13R1.39 C=Cc1ccc(cc1)C(CC)NC 271570a_100011290941_100000231127 [0,2,0,0,0,0|1,0,1]=4 3470 B13R1.39 C=Cc1ccc(cc1)C(OC)OC 271570a_100011290941_100009813454 [0,2,0,0,0,0|1,0,1]=4 3471 B13R1.39 CCC(NC)c1ccc(cc1)OC 2230a_100000195527_200000210301 [0,2,0,0,0,0|2,0,0]=4 3472 B13R1.39 CCC(NC)c1ccc(cc1)OC 269862a_106832991636_100000170455 [0,2,0,0,0,0|2,0,0]=4 3473 B13R1.39 CCC(NC)c1ccc(cc1)OC 34a_100000195527_200000210301 [0,2,0,0,0,0|2,0,0]=4 3474 B13R1.39 CCC(NC)c1ccc(cc1)SC 62a_100000231127_200000210301 [0,2,0,0,0,0|2,0,0]=4 3475 B13R1.39 CCC(NC)c1ccc(cc1)SC 62a_200000210301_100000231127 [0,2,0,0,0,0|2,0,0]=4 3476 B13R1.39 CCC(NC)c1ccc(cc1)S[13CH3] 62a_100000231127_200025704644 [0,2,0,0,0,0|2,0,0]=4 3477 B13R1.39 CCC(NC)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231127 [0,2,0,0,0,0|2,0,0]=4 3478 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 2230a_100000195527_200025704644 [0,2,0,0,0,0|2,0,0]=4 3479 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 34a_100000195527_200025704644 [0,2,0,0,0,0|2,0,0]=4 3480 B13R1.39 CCC(OC)c1ccc(cc1)OC 34a_100000246523_200000210301 [0,2,0,0,0,0|2,0,0]=4 3481 B13R1.39 CCC(OC)c1ccc(cc1)OC 7a_100000246523_200000210301 [0,2,0,0,0,0|2,0,0]=4 3482 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 34a_100000246523_200025704644 [0,2,0,0,0,0|2,0,0]=4 3483 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 7a_100000246523_200025704644 [0,2,0,0,0,0|2,0,0]=4 3484 B13R1.39 CCc1ccc(cc1)C(CC)NC 269862a_106832991636_100000739966 [0,2,0,0,0,0|1,0,0]=3 3485 B13R1.39 CCc1ccc(cc1)[C@H](CC)NC 2230a_100020633697_200000210301 [0,2,0,0,0,0|1,0,0]=3 3486 B13R1.39 CCc1ccc(cc1)[C@H](CC)NC 34a_100020633697_200000210301 [0,2,0,0,0,0|1,0,0]=3 3487 B13R1.39 CCc1ccc(cc1)[C@H](CC)N[13CH3] 2230a_100020633697_200025704644 [0,2,0,0,0,0|1,0,0]=3 3488 B13R1.39 CCc1ccc(cc1)[C@H](CC)N[13CH3] 34a_100020633697_200025704644 [0,2,0,0,0,0|1,0,0]=3 3489 B13R1.39 CNC(CO)c1ccc(cc1)OC 2230a_100000751956_200000210301 [0,2,0,0,0,0|2,0,0]=4 3490 B13R1.39 CNC(CO)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,2,0,0,0,0|2,0,0]=4 3491 B13R1.39 COC(OC)c1ccc(cc1)SC 62a_100009813454_200000210301 [0,2,0,0,0,0|2,0,0]=4 3492 B13R1.39 COC(OC)c1ccc(cc1)SC 62a_200000210301_100009813454 [0,2,0,0,0,0|2,0,0]=4 3493 B13R1.39 COC(OC)c1ccc(cc1)S[13CH3] 62a_100009813454_200025704644 [0,2,0,0,0,0|2,0,0]=4 3494 B13R1.39 COC(OC)c1ccc(cc1)S[13CH3] 62a_200025704644_100009813454 [0,2,0,0,0,0|2,0,0]=4 3495 B13R1.39 COc1ccc(cc1)C(CN)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|2,0,0]=4 3496 B13R1.39 COc1ccc(cc1)C(CN)O[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|2,0,0]=4 3497 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 2230a_100000751956_200025704644 [0,2,0,0,0,0|2,0,0]=4 3498 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 34a_100000751956_200025704644 [0,2,0,0,0,0|2,0,0]=4 3499 B13R1.95 CCC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_100000210202 [0,2,0,0,0,0|1,0,1]=4 3500 B13R1.95 CCC(=O)c1ccc(cc1F)CO 1458a_100011934814_100000210202 [0,2,0,0,0,0|1,0,1]=4 3501 B13R1.95 CNC(=O)c1ccc(cc1Cl)CO 240690a_100102657272_100015659073 [0,2,0,0,0,0|1,0,1]=4 3502 B13R1.95 CNC(=O)c1ccc(cc1F)CO 240690a_100102657272_100011934814 [0,2,0,0,0,0|1,0,1]=4 3503 B13R1.95 CNC(C)c1ccc(cc1Br)OC 269862a_106832991636_100000697255 [0,2,0,0,0,0|2,0,0]=4 3504 B13R1.95 CNC(C)c1ccc(cc1C)OC 269862a_106832991636_100000767045 [0,2,0,0,0,0|2,0,0]=4 3505 B13R1.95 CNC(C)c1ccc(cc1Cl)OC 269862a_106832991636_100011316561 [0,2,0,0,0,0|2,0,0]=4 3506 B13R1.95 CNC(C)c1ccc(cc1Cl)SC 269862a_106832991636_100000746310 [0,2,0,0,0,0|2,0,0]=4 3507 B13R1.95 CNC(C)c1ccc(cc1F)OC 269862a_106832991636_100000211433 [0,2,0,0,0,0|2,0,0]=4 3508 B13R1.95 CNC(C)c1ccc(cc1O)OC 269862a_106832991636_100000185565 [0,2,0,0,0,0|2,0,0]=4 3509 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 2230a_100132314089_200000210301 [0,2,0,0,0,0|2,0,0]=4 3510 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 34a_100132314089_200000210301 [0,2,0,0,0,0|2,0,0]=4 3511 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 2230a_100016991463_200000210301 [0,2,0,0,0,0|2,0,0]=4 3512 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 34a_100016991463_200000210301 [0,2,0,0,0,0|2,0,0]=4 3513 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 34a_100000697252_200000210301 [0,2,0,0,0,0|2,0,0]=4 3514 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 7a_100000697252_200000210301 [0,2,0,0,0,0|2,0,0]=4 3515 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 34a_100000697252_200025704644 [0,2,0,0,0,0|2,0,0]=4 3516 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 7a_100000697252_200025704644 [0,2,0,0,0,0|2,0,0]=4 3517 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 2230a_100132314089_200025704644 [0,2,0,0,0,0|2,0,0]=4 3518 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 34a_100132314089_200025704644 [0,2,0,0,0,0|2,0,0]=4 3519 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 2230a_100016991463_200025704644 [0,2,0,0,0,0|2,0,0]=4 3520 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 34a_100016991463_200025704644 [0,2,0,0,0,0|2,0,0]=4 3521 B13R1.95 O=C(CF)c1ccc(cc1Cl)CO 1458a_100015659073_100015361967 [0,2,0,0,0,0|1,0,1]=4 3522 B13R1.95 O=C(CF)c1ccc(cc1F)CO 1458a_100011934814_100015361967 [0,2,0,0,0,0|1,0,1]=4 3523 B13R1.139 C=C=Cc1ccc(cc1)C(C)CC 271570a_100015277604_100011221364 [0,2,0,0,0,0|1,0,1]=4 3524 B13R1.139 C=C=Cc1ccc(cc1)C(C)NC 271570a_100015277604_100000231103 [0,2,0,0,0,0|1,0,1]=4 3525 B13R1.139 C=C=Cc1ccc(cc1)C(C)OC 271570a_100015277604_100010254937 [0,2,0,0,0,0|1,0,1]=4 3526 B13R1.139 CC(C#N)c1ccc(cc1)NCF 34a_100000069498_100015361967 [0,2,0,0,0,0|1,0,1]=4 3527 B13R1.139 CC(C#N)c1ccc(cc1)NCF 7a_100000069498_100015361967 [0,2,0,0,0,0|1,0,1]=4 3528 B13R1.139 CC(C#N)c1ccc(cc1)SCF 62a_100000695319_100015361967 [0,2,0,0,0,0|1,0,1]=4 3529 B13R1.139 CC(C#N)c1ccc(cc1)SCF 62a_100015361967_100000695319 [0,2,0,0,0,0|1,0,1]=4 3530 B13R1.139 CC(CN)c1ccc(cc1)OCF 34a_200015188644_100015361967 [0,2,0,0,0,0|1,0,0]=3 3531 B13R1.139 CC=Cc1ccc(cc1)C(C)CC 271570a_100016259895_100011221364 [0,2,0,0,0,0|1,0,1]=4 3532 B13R1.139 CC=Cc1ccc(cc1)C(C)NC 271570a_100016259895_100000231103 [0,2,0,0,0,0|1,0,1]=4 3533 B13R1.139 CC=Cc1ccc(cc1)C(C)OC 271570a_100016259895_100010254937 [0,2,0,0,0,0|1,0,1]=4 3534 B13R1.139 CCC(=O)c1ccc(cc1)CCO 1458a_100000078963_100000210202 [0,2,0,0,0,0|1,0,1]=4 3535 B13R1.139 CCC(=O)c1ccc(cc1)COC 1458a_100000189608_100000210202 [0,2,0,0,0,0|1,0,1]=4 3536 B13R1.139 CCC(C)c1ccc(cc1)CNC 26a_100102657272_100000211540 [0,2,0,0,0,0|1,0,0]=3 3537 B13R1.139 CCC(C)c1ccc(cc1)NCF 34a_100000211316_100015361967 [0,2,0,0,0,0|1,0,0]=3 3538 B13R1.139 CCC(C)c1ccc(cc1)NCF 7a_100000211316_100015361967 [0,2,0,0,0,0|1,0,0]=3 3539 B13R1.139 CCC(C)c1ccc(cc1)OCF 34a_100000211540_100015361967 [0,2,0,0,0,0|1,0,0]=3 3540 B13R1.139 CCC(C)c1ccc(cc1)OCF 7a_100000211540_100015361967 [0,2,0,0,0,0|1,0,0]=3 3541 B13R1.139 CCC(C)c1ccc(cc1)SCF 62a_100011221364_100015361967 [0,2,0,0,0,0|1,0,0]=3 3542 B13R1.139 CCC(C)c1ccc(cc1)SCF 62a_100015361967_100011221364 [0,2,0,0,0,0|1,0,0]=3 3543 B13R1.139 CCC(N)c1ccc(cc1)CNC 26a_100102657272_100015187210 [0,2,0,0,0,0|2,0,0]=4 3544 B13R1.139 CCC(N)c1ccc(cc1)OCF 34a_100015187210_100015361967 [0,2,0,0,0,0|2,0,0]=4 3545 B13R1.139 CCC(O)c1ccc(cc1)SCF 62a_100000246506_100015361967 [0,2,0,0,0,0|2,0,0]=4 3546 B13R1.139 CCC(O)c1ccc(cc1)SCF 62a_100015361967_100000246506 [0,2,0,0,0,0|2,0,0]=4 3547 B13R1.139 CCCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211850 [0,2,0,0,0,0|1,0,0]=3 3548 B13R1.139 CCNc1ccc(cc1)C(C)C#N 34a_100000069498_100000210202 [0,2,0,0,0,0|1,0,1]=4 3549 B13R1.139 CCNc1ccc(cc1)C(C)C#N 7a_100000069498_100000210202 [0,2,0,0,0,0|1,0,1]=4 3550 B13R1.139 CCNc1ccc(cc1)C(C)CC 2230a_100000211316_100000210202 [0,2,0,0,0,0|1,0,0]=3 3551 B13R1.139 CCNc1ccc(cc1)C(C)CC 34a_100000211316_100000210202 [0,2,0,0,0,0|1,0,0]=3 3552 B13R1.139 CCNc1ccc(cc1)C(C)CC 7a_100000211316_100000210202 [0,2,0,0,0,0|1,0,0]=3 3553 B13R1.139 CCOc1ccc(cc1)C(C)CC 34a_100000211540_100000210202 [0,2,0,0,0,0|1,0,0]=3 3554 B13R1.139 CCOc1ccc(cc1)C(C)CC 7a_100000211540_100000210202 [0,2,0,0,0,0|1,0,0]=3 3555 B13R1.139 CCOc1ccc(cc1)C(C)CN 34a_200015188644_100000210202 [0,2,0,0,0,0|1,0,0]=3 3556 B13R1.139 CCOc1ccc(cc1)C(C)NC 2230a_100000740525_200000210301 [0,2,0,0,0,0|1,0,0]=3 3557 B13R1.139 CCOc1ccc(cc1)C(C)NC 269862a_106832991636_100000169860 [0,2,0,0,0,0|1,0,0]=3 3558 B13R1.139 CCOc1ccc(cc1)C(C)N[13CH3] 2230a_100000740525_200025704644 [0,2,0,0,0,0|1,0,0]=3 3559 B13R1.139 CCOc1ccc(cc1)C(C)OC 34a_200010658654_100000210202 [0,2,0,0,0,0|1,0,0]=3 3560 B13R1.139 CCOc1ccc(cc1)C(C)OC 7a_200010658654_100000210202 [0,2,0,0,0,0|1,0,0]=3 3561 B13R1.139 CCOc1ccc(cc1)C(N)CC 34a_100015187210_100000210202 [0,2,0,0,0,0|2,0,0]=4 3562 B13R1.139 CCOc1ccc(cc1)C(O)CN 34a_100000067596_100000210202 [0,2,0,0,0,0|2,0,0]=4 3563 B13R1.139 CCOc1ccc(cc1)N(C)CC 2230a_100025784348_100000210202 [0,2,0,0,0,0|2,0,0]=4 3564 B13R1.139 CCOc1ccc(cc1)N(C)CC 269982a_100025784348_100000204670 [0,2,0,0,0,0|2,0,0]=4 3565 B13R1.139 CCOc1ccc(cc1)N(C)CC 34a_100025784348_100000210202 [0,2,0,0,0,0|2,0,0]=4 3566 B13R1.139 CCOc1ccc(cc1)N(C)CF 269982a_100025784348_100015361967 [0,2,0,0,0,0|2,0,0]=4 3567 B13R1.139 CCOc1ccc(cc1)N(C)CF 34a_100025784348_100015361967 [0,2,0,0,0,0|2,0,0]=4 3568 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 34a_100000761365_200000210301 [0,2,0,0,0,0|1,0,0]=3 3569 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 7a_100000761365_200000210301 [0,2,0,0,0,0|1,0,0]=3 3570 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000761365_200025704644 [0,2,0,0,0,0|1,0,0]=3 3571 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000761365_200025704644 [0,2,0,0,0,0|1,0,0]=3 3572 B13R1.139 CCOc1ccc(cn1)C(C)NC 269862a_106832991636_200012002814 [0,2,0,0,0,0|2,0,0]=4 3573 B13R1.139 CCSc1ccc(cc1)C(C)C#N 62a_100000210202_100000695319 [0,2,0,0,0,0|1,0,1]=4 3574 B13R1.139 CCSc1ccc(cc1)C(C)C#N 62a_100000695319_100000210202 [0,2,0,0,0,0|1,0,1]=4 3575 B13R1.139 CCSc1ccc(cc1)C(C)CC 62a_100000210202_100011221364 [0,2,0,0,0,0|1,0,0]=3 3576 B13R1.139 CCSc1ccc(cc1)C(C)CC 62a_100011221364_100000210202 [0,2,0,0,0,0|1,0,0]=3 3577 B13R1.139 CCSc1ccc(cc1)C(C)NC 269862a_106832991636_100000693305 [0,2,0,0,0,0|1,0,0]=3 3578 B13R1.139 CCSc1ccc(cc1)C(C)NC 62a_100000210202_100000231103 [0,2,0,0,0,0|1,0,0]=3 3579 B13R1.139 CCSc1ccc(cc1)C(C)NC 62a_100000231103_100000210202 [0,2,0,0,0,0|1,0,0]=3 3580 B13R1.139 CCSc1ccc(cc1)C(C)OC 62a_100000210202_100010254937 [0,2,0,0,0,0|1,0,0]=3 3581 B13R1.139 CCSc1ccc(cc1)C(C)OC 62a_100010254937_100000210202 [0,2,0,0,0,0|1,0,0]=3 3582 B13R1.139 CCSc1ccc(cc1)C(N)CO 62a_100000210202_100000734186 [0,2,0,0,0,0|2,0,0]=4 3583 B13R1.139 CCSc1ccc(cc1)C(N)CO 62a_100000734186_100000210202 [0,2,0,0,0,0|2,0,0]=4 3584 B13R1.139 CCSc1ccc(cc1)C(O)CC 62a_100000210202_100000246506 [0,2,0,0,0,0|2,0,0]=4 3585 B13R1.139 CCSc1ccc(cc1)C(O)CC 62a_100000246506_100000210202 [0,2,0,0,0,0|2,0,0]=4 3586 B13R1.139 CCSc1ccc(cc1)C(O)CN 62a_100000210202_100020626992 [0,2,0,0,0,0|2,0,0]=4 3587 B13R1.139 CCSc1ccc(cc1)C(O)CN 62a_100020626992_100000210202 [0,2,0,0,0,0|2,0,0]=4 3588 B13R1.139 CCSc1ccc(cc1)C(O)CO 62a_100000210202_200012355997 [0,2,0,0,0,0|2,0,0]=4 3589 B13R1.139 CCSc1ccc(cc1)C(O)CO 62a_200012355997_100000210202 [0,2,0,0,0,0|2,0,0]=4 3590 B13R1.139 CCSc1ccc(cc1)[C@@H](N)CC 62a_100000210202_100025736560 [0,2,0,0,0,0|2,0,0]=4 3591 B13R1.139 CCSc1ccc(cc1)[C@@H](N)CC 62a_100025736560_100000210202 [0,2,0,0,0,0|2,0,0]=4 3592 B13R1.139 CC[C@H](N)c1ccc(cc1)SCF 62a_100015361967_100025736560 [0,2,0,0,0,0|2,0,0]=4 3593 B13R1.139 CC[C@H](N)c1ccc(cc1)SCF 62a_100025736560_100015361967 [0,2,0,0,0,0|2,0,0]=4 3594 B13R1.139 CNC(=O)c1ccc(cc1)CCO 1626a_100102657272_100000078963 [0,2,0,0,0,0|1,0,1]=4 3595 B13R1.139 CNC(=O)c1ccc(cc1)CCO 240690a_100102657272_100000078963 [0,2,0,0,0,0|1,0,1]=4 3596 B13R1.139 CNC(=O)c1ccc(cc1)COC 11a_106832991635_100000189608 [0,2,0,0,0,0|1,0,1]=4 3597 B13R1.139 CNC(=O)c1ccc(cc1)COC 1626a_100102657272_100000189608 [0,2,0,0,0,0|1,0,1]=4 3598 B13R1.139 CNC(=O)c1ccc(cc1)COC 240690a_100102657272_100000189608 [0,2,0,0,0,0|1,0,1]=4 3599 B13R1.139 CNC(=O)c1ccc(cc1)COC 34a_100138415774_100000753832 [0,2,0,0,0,0|1,0,1]=4 3600 B13R1.139 CNC(=O)c1ccc(cc1)COC 527a_100102657272_100000189608 [0,2,0,0,0,0|1,0,1]=4 3601 B13R1.139 CNC(C)c1ccc(cc1)NC=O 269862a_106832991636_200012179351 [0,2,0,0,0,0|0,0,2]=4 3602 B13R1.139 CNC(C)c1ccc(cc1)SCF 62a_100000231103_100015361967 [0,2,0,0,0,0|1,0,0]=3 3603 B13R1.139 CNC(C)c1ccc(cc1)SCF 62a_100015361967_100000231103 [0,2,0,0,0,0|1,0,0]=3 3604 B13R1.139 CNCc1ccc(cc1)C(C)CN 26a_100102657272_200015188644 [0,2,0,0,0,0|1,0,0]=3 3605 B13R1.139 CNCc1ccc(cc1)C(C)OC 26a_100102657272_200010658654 [0,2,0,0,0,0|1,0,0]=3 3606 B13R1.139 CNCc1ccc(cc1)C(O)CN 26a_100102657272_100000067596 [0,2,0,0,0,0|2,0,0]=4 3607 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 34a_100000151488_200025704644 [0,2,0,0,0,0|1,0,1]=4 3608 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 7a_100000151488_200025704644 [0,2,0,0,0,0|1,0,1]=4 3609 B13R1.139 COC(C)c1ccc(cc1)OCF 34a_200010658654_100015361967 [0,2,0,0,0,0|1,0,0]=3 3610 B13R1.139 COC(C)c1ccc(cc1)OCF 7a_200010658654_100015361967 [0,2,0,0,0,0|1,0,0]=3 3611 B13R1.139 COC(C)c1ccc(cc1)SCF 62a_100010254937_100015361967 [0,2,0,0,0,0|1,0,0]=3 3612 B13R1.139 COC(C)c1ccc(cc1)SCF 62a_100015361967_100010254937 [0,2,0,0,0,0|1,0,0]=3 3613 B13R1.139 COCc1ccc(cc1)C(=O)CF 1458a_100000189608_100015361967 [0,2,0,0,0,0|1,0,1]=4 3614 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100000151488_200000210301 [0,2,0,0,0,0|1,0,1]=4 3615 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100138415774_100000735637 [0,2,0,0,0,0|1,0,1]=4 3616 B13R1.139 COCc1ccc(cc1)C(=O)OC 7a_100000151488_200000210301 [0,2,0,0,0,0|1,0,1]=4 3617 B13R1.139 NC(CO)c1ccc(cc1)SCF 62a_100000734186_100015361967 [0,2,0,0,0,0|2,0,0]=4 3618 B13R1.139 NC(CO)c1ccc(cc1)SCF 62a_100015361967_100000734186 [0,2,0,0,0,0|2,0,0]=4 3619 B13R1.139 NCC(O)c1ccc(cc1)OCF 34a_100000067596_100015361967 [0,2,0,0,0,0|2,0,0]=4 3620 B13R1.139 NCC(O)c1ccc(cc1)SCF 62a_100015361967_100020626992 [0,2,0,0,0,0|2,0,0]=4 3621 B13R1.139 NCC(O)c1ccc(cc1)SCF 62a_100020626992_100015361967 [0,2,0,0,0,0|2,0,0]=4 3622 B13R1.139 O=C(CF)c1ccc(cc1)CCO 1458a_100000078963_100015361967 [0,2,0,0,0,0|1,0,1]=4 3623 B13R1.139 OCC(O)c1ccc(cc1)SCF 62a_100015361967_200012355997 [0,2,0,0,0,0|2,0,0]=4 3624 B13R1.139 OCC(O)c1ccc(cc1)SCF 62a_200012355997_100015361967 [0,2,0,0,0,0|2,0,0]=4 3625 B13R1.187 C=Cc1ccc(cc1)C(C)(C)C#N 271570a_100011290941_100000740055 [0,2,0,0,0,0|1,0,1]=4 3626 B13R1.187 C=Cc1ccc(cc1)C(C)(C)C=O 271570a_100011290941_100010228009 [0,2,0,0,0,0|1,0,1]=4 3627 B13R1.187 C=Cc1ccc(cc1)C(C)(C)OC 34a_100015266466_200000210301 [0,2,0,0,0,0|1,0,1]=4 3628 B13R1.187 C=Cc1ccc(cc1)C(C)(C)OC 7a_100015266466_200000210301 [0,2,0,0,0,0|1,0,1]=4 3629 B13R1.187 C=Cc1ccc(cc1)C(C)(C)O[13CH3] 34a_100015266466_200025704644 [0,2,0,0,0,0|1,0,1]=4 3630 B13R1.187 C=Cc1ccc(cc1)C(C)(C)O[13CH3] 7a_100015266466_200025704644 [0,2,0,0,0,0|1,0,1]=4 3631 B13R1.187 CC(C)(C#N)c1ccc(cc1)N[13CH3] 34a_100000758047_200025704644 [0,2,0,0,0,0|2,0,0]=4 3632 B13R1.187 CC(C)(C#N)c1ccc(cc1)N[13CH3] 7a_100000758047_200025704644 [0,2,0,0,0,0|2,0,0]=4 3633 B13R1.187 CC(C)(C#N)c1ccc(cc1)O[13CH3] 34a_200000101937_200025704644 [0,2,0,0,0,0|2,0,0]=4 3634 B13R1.187 CC(C)(C#N)c1ccc(cc1)O[13CH3] 7a_200000101937_200025704644 [0,2,0,0,0,0|2,0,0]=4 3635 B13R1.187 CC(C)(C#N)c1ccc(cc1)S[13CH3] 62a_100000740055_200025704644 [0,2,0,0,0,0|2,0,0]=4 3636 B13R1.187 CC(C)(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000740055 [0,2,0,0,0,0|2,0,0]=4 3637 B13R1.187 CC(C)(C=O)c1ccc(cc1)S[13CH3] 62a_100010228009_200025704644 [0,2,0,0,0,0|2,0,0]=4 3638 B13R1.187 CC(C)(C=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100010228009 [0,2,0,0,0,0|2,0,0]=4 3639 B13R1.187 CC(C)(CO)c1ccc(cc1)N[13CH3] 34a_103496529068_200025704644 [0,2,0,0,0,0|2,0,0]=4 3640 B13R1.187 CCC(C)(C)c1ccc(cc1)OC 7a_100000211029_200000210301 [0,2,0,0,0,0|2,0,0]=4 3641 B13R1.187 CCC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000211029_200025704644 [0,2,0,0,0,0|2,0,0]=4 3642 B13R1.187 CNC(C)(C)c1ccc(cc1)OC 2230a_200015186604_200000210301 [0,2,0,0,0,0|2,0,0]=4 3643 B13R1.187 CNc1ccc(cc1)C(C)(C)C#N 34a_100000758047_200000210301 [0,2,0,0,0,0|2,0,0]=4 3644 B13R1.187 CNc1ccc(cc1)C(C)(C)C#N 7a_100000758047_200000210301 [0,2,0,0,0,0|2,0,0]=4 3645 B13R1.187 CNc1ccc(cc1)C(C)(C)CO 34a_103496529068_200000210301 [0,2,0,0,0,0|2,0,0]=4 3646 B13R1.187 COc1ccc(cc1)C(C)(C)C#N 34a_200000101937_200000210301 [0,2,0,0,0,0|2,0,0]=4 3647 B13R1.187 COc1ccc(cc1)C(C)(C)C#N 7a_200000101937_200000210301 [0,2,0,0,0,0|2,0,0]=4 3648 B13R1.187 COc1ccc(cc1)C(C)(C)N[13CH3] 2230a_200015186604_200025704644 [0,2,0,0,0,0|2,0,0]=4 3649 B13R1.187 COc1ccc(cc1)C(C)(C)OC 34a_100000744786_200000210301 [0,2,0,0,0,0|2,0,0]=4 3650 B13R1.187 COc1ccc(cc1)C(C)(C)OC 7a_100000744786_200000210301 [0,2,0,0,0,0|2,0,0]=4 3651 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 34a_100000744786_200025704644 [0,2,0,0,0,0|2,0,0]=4 3652 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 7a_100000744786_200025704644 [0,2,0,0,0,0|2,0,0]=4 3653 B13R1.187 CSc1ccc(cc1)C(C)(C)C#N 62a_100000740055_200000210301 [0,2,0,0,0,0|2,0,0]=4 3654 B13R1.187 CSc1ccc(cc1)C(C)(C)C#N 62a_200000210301_100000740055 [0,2,0,0,0,0|2,0,0]=4 3655 B13R1.187 CSc1ccc(cc1)C(C)(C)C=O 62a_100010228009_200000210301 [0,2,0,0,0,0|2,0,0]=4 3656 B13R1.187 CSc1ccc(cc1)C(C)(C)C=O 62a_200000210301_100010228009 [0,2,0,0,0,0|2,0,0]=4 3657 B13R1.452 C#CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000184674 [0,2,0,0,0,0|1,0,1]=4 3658 B13R1.452 C=CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210623 [0,2,0,0,0,0|1,0,1]=4 3659 B13R1.452 C=Cc1ccc(cc1)C(C)NCC 2230a_200012023546_100000210202 [0,2,0,0,0,0|1,0,1]=4 3660 B13R1.452 C=Cc1ccc(cc1)C(C)NCC 34a_200012023546_100000210202 [0,2,0,0,0,0|1,0,1]=4 3661 B13R1.452 C=Cc1ccc(cc1)C(C)NCF 34a_200012023546_100015361967 [0,2,0,0,0,0|1,0,1]=4 3662 B13R1.452 CC(OCF)c1ccc(cc1)CN 34a_200000048501_100015361967 [0,2,0,0,0,0|1,0,0]=3 3663 B13R1.452 CCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210303 [0,2,0,0,0,0|1,0,1]=4 3664 B13R1.452 CCCN(C)c1ccc(cc1)CC 2230a_100011231861_200000210301 [0,2,0,0,0,0|2,0,0]=4 3665 B13R1.452 CCCN(C)c1ccc(cc1)CC 269982a_100011231861_200000210301 [0,2,0,0,0,0|2,0,0]=4 3666 B13R1.452 CCCN(C)c1ccc(cc1)CC 34a_100011231861_200000210301 [0,2,0,0,0,0|2,0,0]=4 3667 B13R1.452 CCCN([13CH3])c1ccc(cc1)CC 2230a_100011231861_200025704644 [0,2,0,0,0,0|2,0,0]=4 3668 B13R1.452 CCCN([13CH3])c1ccc(cc1)CC 269982a_100011231861_200025704644 [0,2,0,0,0,0|2,0,0]=4 3669 B13R1.452 CCCN([13CH3])c1ccc(cc1)CC 34a_100011231861_200025704644 [0,2,0,0,0,0|2,0,0]=4 3670 B13R1.452 CCNC(=O)c1ccc(cc1)CO 240690a_100015525214_100000183892 [0,2,0,0,0,0|1,0,1]=4 3671 B13R1.452 CCNC(C)c1ccc(cc1)C#N 269862a_100015525214_100000182420 [0,2,0,0,0,0|1,0,1]=4 3672 B13R1.452 CCNC(C)c1ccc(cc1)CC 2230a_100015186439_100000210202 [0,2,0,0,0,0|1,0,0]=3 3673 B13R1.452 CCNC(C)c1ccc(cc1)CC 269862a_100015525214_100000211630 [0,2,0,0,0,0|1,0,0]=3 3674 B13R1.452 CCNC(C)c1ccc(cc1)CC 34a_100015186439_100000210202 [0,2,0,0,0,0|1,0,0]=3 3675 B13R1.452 CCNC(C)c1ccc(cc1)CO 269862a_100015525214_100000082505 [0,2,0,0,0,0|0,0,0]=2 3676 B13R1.452 CCNC(C)c1ccc(cc1)NC 269862a_100015525214_100011806243 [0,2,0,0,0,0|2,0,0]=4 3677 B13R1.452 CCNC(C)c1ccc(cc1)OC 269862a_100015525214_100000169859 [0,2,0,0,0,0|2,0,0]=4 3678 B13R1.452 CCNC(C)c1ccc(cc1)SC 2230a_100000738722_100000210202 [0,2,0,0,0,0|2,0,0]=4 3679 B13R1.452 CCNC(C)c1ccc(cc1)SC 269862a_100015525214_100000185071 [0,2,0,0,0,0|2,0,0]=4 3680 B13R1.452 CCN[C@H](C)c1ccc(cc1)C#N 2230a_100016991473_100000210202 [0,2,0,0,0,0|1,0,1]=4 3681 B13R1.452 CCN[C@H](C)c1ccc(cc1)C#N 34a_100016991473_100000210202 [0,2,0,0,0,0|1,0,1]=4 3682 B13R1.452 CCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000210202 [0,2,0,0,0,0|2,0,0]=4 3683 B13R1.452 CCOC(C)c1ccc(cc1)CC 34a_100011232672_100000210202 [0,2,0,0,0,0|1,0,0]=3 3684 B13R1.452 CCOC(C)c1ccc(cc1)CC 7a_100011232672_100000210202 [0,2,0,0,0,0|1,0,0]=3 3685 B13R1.452 CCOC(C)c1ccc(cc1)CN 34a_200000048501_100000210202 [0,2,0,0,0,0|1,0,0]=3 3686 B13R1.452 CCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210202 [0,2,0,0,0,0|2,0,0]=4 3687 B13R1.452 CCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210202 [0,2,0,0,0,0|2,0,0]=4 3688 B13R1.452 CCO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_100000210202 [0,2,0,0,0,0|1,0,1]=4 3689 B13R1.452 CCO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_100000210202 [0,2,0,0,0,0|1,0,1]=4 3690 B13R1.452 CCc1ccc(cc1)C(C)NCF 34a_100015186439_100015361967 [0,2,0,0,0,0|1,0,0]=3 3691 B13R1.452 CCc1ccc(cc1)C(C)OCF 34a_100011232672_100015361967 [0,2,0,0,0,0|1,0,0]=3 3692 B13R1.452 CCc1ccc(cc1)C(C)OCF 7a_100011232672_100015361967 [0,2,0,0,0,0|1,0,0]=3 3693 B13R1.452 CNNC(=O)c1ccc(cc1)CO 22a_100016993582_100000183892 [0,2,0,0,0,0|1,0,1]=4 3694 B13R1.452 COc1ccc(cc1)C(C)OCF 34a_100000742907_100015361967 [0,2,0,0,0,0|2,0,0]=4 3695 B13R1.452 COc1ccc(cc1)C(C)OCF 7a_100000742907_100015361967 [0,2,0,0,0,0|2,0,0]=4 3696 B13R1.452 C[C@@H](NCF)c1ccc(cc1)C#N 34a_100016991473_100015361967 [0,2,0,0,0,0|1,0,1]=4 3697 B13R1.452 C[C@H](OCF)c1ccc(cc1)C#N 34a_100011852132_100015361967 [0,2,0,0,0,0|1,0,1]=4 3698 B13R1.452 C[C@H](OCF)c1ccc(cc1)C#N 7a_100011852132_100015361967 [0,2,0,0,0,0|1,0,1]=4 3699 B13R1.452 N#CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100011214920 [0,2,0,0,0,0|1,0,1]=4 3700 B13R1.452 O=C(CCF)c1ccc(cc1)CO 1458a_100000183892_100011217306 [0,2,0,0,0,0|1,0,1]=4 3701 B13R1.452 O=C(CCO)c1ccc(cc1)CO 1458a_100000183892_100000211926 [0,2,0,0,0,0|1,0,1]=4 3702 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CO 271570a_100000694244_100011219529 [0,2,0,0,0,0|0,0,2]=4 3703 B13R1.537 C=C(C)c1ccc(cc1)C(C)CC 271570a_100000694244_100011221364 [0,2,0,0,0,0|1,0,1]=4 3704 B13R1.537 C=C(C)c1ccc(cc1)C(C)NC 271570a_100000694244_100000231103 [0,2,0,0,0,0|1,0,1]=4 3705 B13R1.537 C=C(C)c1ccc(cc1)C(C)OC 271570a_100000694244_100010254937 [0,2,0,0,0,0|0,0,2]=4 3706 B13R1.537 C=C(C)c1ccc(cc1)C(N)CO 271570a_100000694244_100000734186 [0,2,0,0,0,0|0,0,2]=4 3707 B13R1.537 C=C(C)c1ccc(cc1)C(O)CC 271570a_100000694244_100000246506 [0,2,0,0,0,0|0,0,2]=4 3708 B13R1.537 C=C(C)c1ccc(cc1)C(O)CN 271570a_100000694244_100020626992 [0,2,0,0,0,0|0,0,2]=4 3709 B13R1.537 C=C(C)c1ccc(cc1)C(O)CO 271570a_100000694244_200012355997 [0,2,0,0,0,0|0,0,2]=4 3710 B13R1.537 CC(C)c1ccc(cc1)C(=O)CF 1458a_100000210772_100015361967 [0,2,0,0,0,0|1,0,0]=3 3711 B13R1.537 CC(C)c1ccc(cc1)C(C)N[13CH3] 2230a_100000181356_200025704644 [0,2,0,0,0,0|1,0,0]=3 3712 B13R1.537 CC(C)c1ccc(cc1)C(C)N[13CH3] 34a_100000181356_200025704644 [0,2,0,0,0,0|1,0,0]=3 3713 B13R1.537 CC(C)c1ccc(cc1)C(C)S[13CH3] 62a_200000700246_200025704644 [0,2,0,0,0,0|0,1,0]=3 3714 B13R1.537 CC(C)c1ccc(cc1)C(C)S[13CH3] 62a_200025704644_200000700246 [0,2,0,0,0,0|0,1,0]=3 3715 B13R1.537 CC(C)c1ccc(cc1)N(C)CF 269982a_100000688768_100015361967 [0,2,0,0,0,0|1,0,0]=3 3716 B13R1.537 CC(C)c1ccc(cc1)N(C)CF 34a_100000688768_100015361967 [0,2,0,0,0,0|1,0,0]=3 3717 B13R1.537 CC(C)c1ccc(cc1)N(C)CF 38a_100000688768_100015361967 [0,2,0,0,0,0|1,0,0]=3 3718 B13R1.537 CC(O)c1ccc(cc1)C(=O)CF 1458a_100000076921_100015361967 [0,2,0,0,0,0|1,0,1]=4 3719 B13R1.537 CC(O[13CH3])c1ccc(cc1)C(=O)N 7a_200010363529_200025704644 [0,2,0,0,0,0|0,0,2]=4 3720 B13R1.537 CC(O[13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_200025704644 [0,2,0,0,0,0|1,0,1]=4 3721 B13R1.537 CC(O[13CH3])c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_200025704644 [0,2,0,0,0,0|1,0,1]=4 3722 B13R1.537 CCC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000210202 [0,2,0,0,0,0|1,0,0]=3 3723 B13R1.537 CCC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210202 [0,2,0,0,0,0|1,0,1]=4 3724 B13R1.537 CCC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_100000210202 [0,2,0,0,0,0|2,0,0]=4 3725 B13R1.537 CCN(C)c1ccc(cc1)C(=O)O 269956a_100011218868_200000210301 [0,2,0,0,0,0|1,0,1]=4 3726 B13R1.537 CCN(C)c1ccc(cc1)C(C)C 2230a_100000688768_100000210202 [0,2,0,0,0,0|1,0,0]=3 3727 B13R1.537 CCN(C)c1ccc(cc1)C(C)C 269982a_100000688768_100000204670 [0,2,0,0,0,0|1,0,0]=3 3728 B13R1.537 CCN(C)c1ccc(cc1)C(C)C 34a_100000688768_100000210202 [0,2,0,0,0,0|1,0,0]=3 3729 B13R1.537 CCN(C)c1ccc(cc1)C(C)C 38a_100000688768_100000204670 [0,2,0,0,0,0|1,0,0]=3 3730 B13R1.537 CCN([13CH3])c1ccc(cc1)C(=O)O 269956a_100011218868_200025704644 [0,2,0,0,0,0|1,0,1]=4 3731 B13R1.537 CN(C)c1ccc(cc1)C(=O)CF 1458a_100000210873_100015361967 [0,2,0,0,0,0|2,0,0]=4 3732 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 11a_106832991635_100000210772 [0,2,0,0,0,0|0,0,2]=4 3733 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 1626a_100102657272_100000210772 [0,2,0,0,0,0|0,0,2]=4 3734 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 240690a_100102657272_100000210772 [0,2,0,0,0,0|0,0,2]=4 3735 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 527a_100102657272_100000210772 [0,2,0,0,0,0|0,0,2]=4 3736 B13R1.537 CNC(=O)c1ccc(cc1)C(C)O 240690a_100102657272_100000076921 [0,2,0,0,0,0|1,0,1]=4 3737 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 2230a_100000181356_200000210301 [0,2,0,0,0,0|1,0,0]=3 3738 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 2230a_106832991635_200000700246 [0,2,0,0,0,0|1,0,0]=3 3739 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 269862a_106832991636_100000184595 [0,2,0,0,0,0|1,0,0]=3 3740 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 34a_100000181356_200000210301 [0,2,0,0,0,0|1,0,0]=3 3741 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 7a_106832991635_200000700246 [0,2,0,0,0,0|1,0,0]=3 3742 B13R1.537 CNC(C)c1ccc(cc1)C(F)F 269862a_106832991636_100000100969 [0,2,0,0,0,0|1,0,0]=3 3743 B13R1.537 CNC(C)c1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000684656 [0,2,0,0,0,0|1,0,1]=4 3744 B13R1.537 CNC(C)c1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000684656 [0,2,0,0,0,0|1,0,1]=4 3745 B13R1.537 CNC(C)c1ccc(cn1)C(C)C 269862a_106832991636_200009845163 [0,2,0,0,0,0|2,0,0]=4 3746 B13R1.537 CNC(C)c1ccc(cn1)C(C)C 270004a_106832991635_200009845163 [0,2,0,0,0,0|2,0,0]=4 3747 B13R1.537 CNC(C)c1ccc(nc1)C(C)C 269862a_106832991636_200009848574 [0,2,0,0,0,0|2,0,0]=4 3748 B13R1.537 CN[C@@H](C)c1ccc(cc1)C(=O)O 269956a_100020638929_200000210301 [0,2,0,0,0,0|0,0,1]=3 3749 B13R1.537 CN[C@@H](C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_200000210301 [0,2,0,0,0,0|1,0,1]=4 3750 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 2230a_100000220287_200000210301 [0,2,0,0,0,0|1,0,1]=4 3751 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 269982a_100000220287_200000210301 [0,2,0,0,0,0|1,0,1]=4 3752 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 34a_100000220287_200000210301 [0,2,0,0,0,0|1,0,1]=4 3753 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 2230a_100000220287_200025704644 [0,2,0,0,0,0|1,0,1]=4 3754 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 269982a_100000220287_200025704644 [0,2,0,0,0,0|1,0,1]=4 3755 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 34a_100000220287_200025704644 [0,2,0,0,0,0|1,0,1]=4 3756 B13R1.537 COC(C)c1ccc(cc1)C(=O)N 7a_200010363529_200000210301 [0,2,0,0,0,0|0,0,2]=4 3757 B13R1.537 COC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_200000210301 [0,2,0,0,0,0|1,0,1]=4 3758 B13R1.537 COC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_200000210301 [0,2,0,0,0,0|1,0,1]=4 3759 B13R1.537 CSC(C)c1ccc(cc1)C(C)C 62a_200000210301_200000700246 [0,2,0,0,0,0|0,1,0]=3 3760 B13R1.537 CSC(C)c1ccc(cc1)C(C)C 62a_200000700246_200000210301 [0,2,0,0,0,0|0,1,0]=3 3761 B13R1.537 C[C@H](N[13CH3])c1ccc(cc1)C(=O)O 269956a_100020638929_200025704644 [0,2,0,0,0,0|0,0,1]=3 3762 B13R1.537 C[C@H](N[13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_200025704644 [0,2,0,0,0,0|1,0,1]=4 3763 B13R1.3088 CCC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_100000210202 [0,2,0,0,0,0|1,0,1]=4 3764 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 1626a_100102657272_100000687192 [0,2,0,0,0,0|1,0,1]=4 3765 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 240690a_100102657272_100000687192 [0,2,0,0,0,0|1,0,1]=4 3766 B13R1.3088 CNC(C)c1ccc(c(c1)Br)OC 269862a_106832991636_100000185153 [0,2,0,0,0,0|2,0,0]=4 3767 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 2230a_100015183133_200000210301 [0,2,0,0,0,0|2,0,0]=4 3768 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 269862a_106832991636_100000693588 [0,2,0,0,0,0|2,0,0]=4 3769 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 34a_100015183133_200000210301 [0,2,0,0,0,0|2,0,0]=4 3770 B13R1.3088 CNC(C)c1ccc(c(c1)Cl)OC 269862a_106832991636_100000742349 [0,2,0,0,0,0|2,0,0]=4 3771 B13R1.3088 CNC(C)c1ccc(c(c1)F)C#N 269862a_106832991636_100000099237 [0,2,0,0,0,0|1,0,1]=4 3772 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 2230a_100000204609_200000210301 [0,2,0,0,0,0|2,0,0]=4 3773 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 269862a_106832991636_100000195443 [0,2,0,0,0,0|2,0,0]=4 3774 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 34a_100000204609_200000210301 [0,2,0,0,0,0|2,0,0]=4 3775 B13R1.3088 CNC(C)c1ccc(c(c1)I)OC 269862a_106832991636_100000039561 [0,2,0,0,0,0|2,0,0]=4 3776 B13R1.3088 CNC(C)c1ccc(c(c1)O)OC 269862a_106832991636_100000732934 [0,2,0,0,0,0|2,0,0]=4 3777 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [0,2,0,0,0,0|1,0,1]=4 3778 B13R1.3088 COc1ccc(cc1Br)C(C)OC 34a_100000246541_200000210301 [0,2,0,0,0,0|2,0,0]=4 3779 B13R1.3088 COc1ccc(cc1Br)C(C)OC 7a_100000246541_200000210301 [0,2,0,0,0,0|2,0,0]=4 3780 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 34a_100000246541_200025704644 [0,2,0,0,0,0|2,0,0]=4 3781 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 7a_100000246541_200025704644 [0,2,0,0,0,0|2,0,0]=4 3782 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 2230a_100015183133_200025704644 [0,2,0,0,0,0|2,0,0]=4 3783 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 34a_100015183133_200025704644 [0,2,0,0,0,0|2,0,0]=4 3784 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 2230a_100000204609_200025704644 [0,2,0,0,0,0|2,0,0]=4 3785 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 34a_100000204609_200025704644 [0,2,0,0,0,0|2,0,0]=4 3786 B13R1.3088 COc1ccc(cc1F)C(C)OC 34a_100000242639_200000210301 [0,2,0,0,0,0|2,0,0]=4 3787 B13R1.3088 COc1ccc(cc1F)C(C)OC 7a_100000242639_200000210301 [0,2,0,0,0,0|2,0,0]=4 3788 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 34a_100000242639_200025704644 [0,2,0,0,0,0|2,0,0]=4 3789 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 7a_100000242639_200025704644 [0,2,0,0,0,0|2,0,0]=4 3790 B13R1.3088 COc1ccc(cc1I)C(C)OC 34a_202516928852_200000210301 [0,2,0,0,0,0|2,0,0]=4 3791 B13R1.3088 COc1ccc(cc1I)C(C)OC 7a_202516928852_200000210301 [0,2,0,0,0,0|2,0,0]=4 3792 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 34a_202516928852_200025704644 [0,2,0,0,0,0|2,0,0]=4 3793 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 7a_202516928852_200025704644 [0,2,0,0,0,0|2,0,0]=4 3794 B13R1.3088 O=C(CF)c1ccc(c(c1)F)CO 1458a_100000687192_100015361967 [0,2,0,0,0,0|1,0,1]=4 3795 B13R1.38 C=Cc1ccc(cc1Br)C(C)(C)C 271570a_100011290941_100010212221 [0,2,0,0,0,0|1,0,1]=4 3796 B13R1.38 C=Cc1ccc(cc1N)C(C)(C)C 271570a_100011290941_100010244637 [0,2,0,0,0,0|1,0,1]=4 3797 B13R1.38 C=Cc1ccc(cc1O)C(C)(C)C 271570a_100011290941_100010201833 [0,2,0,0,0,0|1,0,1]=4 3798 B13R1.38 CC(C)(C)c1ccc(c(c1)Br)N[13CH3] 34a_100012338886_200025704644 [0,2,0,0,0,0|2,0,0]=4 3799 B13R1.38 CC(C)(C)c1ccc(c(c1)Br)N[13CH3] 7a_100012338886_200025704644 [0,2,0,0,0,0|2,0,0]=4 3800 B13R1.38 CC(C)(C)c1ccc(c(c1)Br)O[13CH3] 34a_100011934291_200025704644 [0,2,0,0,0,0|2,0,0]=4 3801 B13R1.38 CC(C)(C)c1ccc(c(c1)Br)O[13CH3] 7a_100011934291_200025704644 [0,2,0,0,0,0|2,0,0]=4 3802 B13R1.38 CC(C)(C)c1ccc(c(c1)Br)S[13CH3] 62a_100010212221_200025704644 [0,2,0,0,0,0|2,0,0]=4 3803 B13R1.38 CC(C)(C)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010212221 [0,2,0,0,0,0|2,0,0]=4 3804 B13R1.38 CC(C)(C)c1ccc(c(c1)Cl)N[13CH3] 34a_100011219132_200025704644 [0,2,0,0,0,0|2,0,0]=4 3805 B13R1.38 CC(C)(C)c1ccc(c(c1)Cl)N[13CH3] 7a_100011219132_200025704644 [0,2,0,0,0,0|2,0,0]=4 3806 B13R1.38 CC(C)(C)c1ccc(c(c1)Cl)O[13CH3] 34a_100011290890_200025704644 [0,2,0,0,0,0|2,0,0]=4 3807 B13R1.38 CC(C)(C)c1ccc(c(c1)Cl)O[13CH3] 7a_100011290890_200025704644 [0,2,0,0,0,0|2,0,0]=4 3808 B13R1.38 CC(C)(C)c1ccc(c(c1)I)N[13CH3] 34a_200121572552_200025704644 [0,2,0,0,0,0|2,0,0]=4 3809 B13R1.38 CC(C)(C)c1ccc(c(c1)I)N[13CH3] 7a_200121572552_200025704644 [0,2,0,0,0,0|2,0,0]=4 3810 B13R1.38 CC(C)(C)c1ccc(c(c1)I)O[13CH3] 34a_100012359415_200025704644 [0,2,0,0,0,0|2,0,0]=4 3811 B13R1.38 CC(C)(C)c1ccc(c(c1)I)O[13CH3] 7a_100012359415_200025704644 [0,2,0,0,0,0|2,0,0]=4 3812 B13R1.38 CC(C)(C)c1ccc(c(c1)N)O[13CH3] 34a_100000187365_200025704644 [0,2,0,0,0,0|2,0,0]=4 3813 B13R1.38 CC(C)(C)c1ccc(c(c1)N)O[13CH3] 7a_100000187365_200025704644 [0,2,0,0,0,0|2,0,0]=4 3814 B13R1.38 CC(C)(C)c1ccc(c(c1)N)S[13CH3] 62a_100010244637_200025704644 [0,2,0,0,0,0|2,0,0]=4 3815 B13R1.38 CC(C)(C)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_100010244637 [0,2,0,0,0,0|2,0,0]=4 3816 B13R1.38 CC(C)(C)c1ccc(c(c1)O)C=O 271570a_203496583355_100010630849 [0,2,0,0,0,0|0,0,2]=4 3817 B13R1.38 CC(C)(C)c1ccc(c(c1)O)S[13CH3] 62a_100010201833_200025704644 [0,2,0,0,0,0|2,0,0]=4 3818 B13R1.38 CC(C)(C)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100010201833 [0,2,0,0,0,0|2,0,0]=4 3819 B13R1.38 CNc1ccc(cc1Br)C(C)(C)C 34a_100012338886_200000210301 [0,2,0,0,0,0|2,0,0]=4 3820 B13R1.38 CNc1ccc(cc1Br)C(C)(C)C 7a_100012338886_200000210301 [0,2,0,0,0,0|2,0,0]=4 3821 B13R1.38 CNc1ccc(cc1Cl)C(C)(C)C 34a_100011219132_200000210301 [0,2,0,0,0,0|2,0,0]=4 3822 B13R1.38 CNc1ccc(cc1Cl)C(C)(C)C 7a_100011219132_200000210301 [0,2,0,0,0,0|2,0,0]=4 3823 B13R1.38 CNc1ccc(cc1I)C(C)(C)C 34a_200121572552_200000210301 [0,2,0,0,0,0|2,0,0]=4 3824 B13R1.38 CNc1ccc(cc1I)C(C)(C)C 7a_200121572552_200000210301 [0,2,0,0,0,0|2,0,0]=4 3825 B13R1.38 COc1ccc(cc1Br)C(C)(C)C 34a_100011934291_200000210301 [0,2,0,0,0,0|2,0,0]=4 3826 B13R1.38 COc1ccc(cc1Br)C(C)(C)C 7a_100011934291_200000210301 [0,2,0,0,0,0|2,0,0]=4 3827 B13R1.38 COc1ccc(cc1C)C(C)(C)C 7a_100000211565_200000210301 [0,2,0,0,0,0|2,0,0]=4 3828 B13R1.38 COc1ccc(cc1Cl)C(C)(C)C 34a_100011290890_200000210301 [0,2,0,0,0,0|2,0,0]=4 3829 B13R1.38 COc1ccc(cc1Cl)C(C)(C)C 7a_100011290890_200000210301 [0,2,0,0,0,0|2,0,0]=4 3830 B13R1.38 COc1ccc(cc1I)C(C)(C)C 34a_100012359415_200000210301 [0,2,0,0,0,0|2,0,0]=4 3831 B13R1.38 COc1ccc(cc1I)C(C)(C)C 7a_100012359415_200000210301 [0,2,0,0,0,0|2,0,0]=4 3832 B13R1.38 COc1ccc(cc1N)C(C)(C)C 34a_100000187365_200000210301 [0,2,0,0,0,0|2,0,0]=4 3833 B13R1.38 COc1ccc(cc1N)C(C)(C)C 7a_100000187365_200000210301 [0,2,0,0,0,0|2,0,0]=4 3834 B13R1.38 COc1ccc(cc1O)C(C)(C)C 271570a_203496583355_100010113405 [0,2,0,0,0,0|2,0,0]=4 3835 B13R1.38 CSc1ccc(cc1Br)C(C)(C)C 62a_100010212221_200000210301 [0,2,0,0,0,0|2,0,0]=4 3836 B13R1.38 CSc1ccc(cc1Br)C(C)(C)C 62a_200000210301_100010212221 [0,2,0,0,0,0|2,0,0]=4 3837 B13R1.38 CSc1ccc(cc1N)C(C)(C)C 62a_100010244637_200000210301 [0,2,0,0,0,0|2,0,0]=4 3838 B13R1.38 CSc1ccc(cc1N)C(C)(C)C 62a_200000210301_100010244637 [0,2,0,0,0,0|2,0,0]=4 3839 B13R1.38 CSc1ccc(cc1O)C(C)(C)C 62a_100010201833_200000210301 [0,2,0,0,0,0|2,0,0]=4 3840 B13R1.38 CSc1ccc(cc1O)C(C)(C)C 62a_200000210301_100010201833 [0,2,0,0,0,0|2,0,0]=4 3841 B13R1.38 Cc1cc(ccc1O[13CH3])C(C)(C)C 7a_100000211565_200025704644 [0,2,0,0,0,0|2,0,0]=4 3842 B13R1.38 OCc1ccc(cc1O)C(F)(F)F 271570a_203496583355_100010150439 [0,2,0,0,0,0|2,0,0]=4 3843 B13R1.96 CC(C)(C)c1ccc(cc1Br)N[13CH3] 2230a_100010219255_200025704644 [0,2,0,0,0,0|2,0,0]=4 3844 B13R1.96 CC(C)(C)c1ccc(cc1Br)N[13CH3] 34a_100010219255_200025704644 [0,2,0,0,0,0|2,0,0]=4 3845 B13R1.96 CC(C)(C)c1ccc(cc1Br)N[13CH3] 7a_100010219255_200025704644 [0,2,0,0,0,0|2,0,0]=4 3846 B13R1.96 CC(C)(C)c1ccc(cc1Cl)N[13CH3] 2230a_100000117450_200025704644 [0,2,0,0,0,0|2,0,0]=4 3847 B13R1.96 CC(C)(C)c1ccc(cc1Cl)N[13CH3] 34a_100000117450_200025704644 [0,2,0,0,0,0|2,0,0]=4 3848 B13R1.96 CC(C)(C)c1ccc(cc1Cl)N[13CH3] 7a_100000117450_200025704644 [0,2,0,0,0,0|2,0,0]=4 3849 B13R1.96 CC(C)(C)c1ccc(cc1F)N[13CH3] 2230a_100009965023_200025704644 [0,2,0,0,0,0|2,0,0]=4 3850 B13R1.96 CC(C)(C)c1ccc(cc1F)N[13CH3] 34a_100009965023_200025704644 [0,2,0,0,0,0|2,0,0]=4 3851 B13R1.96 CC(C)(C)c1ccc(cc1F)N[13CH3] 7a_100009965023_200025704644 [0,2,0,0,0,0|2,0,0]=4 3852 B13R1.96 CNc1ccc(c(c1)Br)C(C)(C)C 2230a_100010219255_200000210301 [0,2,0,0,0,0|2,0,0]=4 3853 B13R1.96 CNc1ccc(c(c1)Br)C(C)(C)C 34a_100010219255_200000210301 [0,2,0,0,0,0|2,0,0]=4 3854 B13R1.96 CNc1ccc(c(c1)Br)C(C)(C)C 7a_100010219255_200000210301 [0,2,0,0,0,0|2,0,0]=4 3855 B13R1.96 CNc1ccc(c(c1)Cl)C(C)(C)C 2230a_100000117450_200000210301 [0,2,0,0,0,0|2,0,0]=4 3856 B13R1.96 CNc1ccc(c(c1)Cl)C(C)(C)C 34a_100000117450_200000210301 [0,2,0,0,0,0|2,0,0]=4 3857 B13R1.96 CNc1ccc(c(c1)Cl)C(C)(C)C 7a_100000117450_200000210301 [0,2,0,0,0,0|2,0,0]=4 3858 B13R1.96 CNc1ccc(c(c1)F)C(C)(C)C 2230a_100009965023_200000210301 [0,2,0,0,0,0|2,0,0]=4 3859 B13R1.96 CNc1ccc(c(c1)F)C(C)(C)C 34a_100009965023_200000210301 [0,2,0,0,0,0|2,0,0]=4 3860 B13R1.96 CNc1ccc(c(c1)F)C(C)(C)C 7a_100009965023_200000210301 [0,2,0,0,0,0|2,0,0]=4 3861 B13R1.96 OCc1ccc(c(c1)O)C(F)(F)F 271570a_203496583355_100010172758 [0,2,0,0,0,0|2,0,0]=4 3862 B13R1.140 C=C=Cc1ccc(cc1)C(C)(C)C 271570a_100015277604_100011215385 [0,2,0,0,0,0|1,0,1]=4 3863 B13R1.140 C=C=Cc1ccc(cc1)C(C)(C)N 271570a_100015277604_100000739617 [0,2,0,0,0,0|1,0,1]=4 3864 B13R1.140 C=C=Cc1ccc(cc1)C(C)(C)O 271570a_100015277604_100000753367 [0,2,0,0,0,0|1,0,1]=4 3865 B13R1.140 CC(C)(C)c1ccc(cc1)CN[13CH3] 2230a_100000753511_200025704644 [0,2,0,0,0,0|1,0,0]=3 3866 B13R1.140 CC(C)(C)c1ccc(cc1)CN[13CH3] 34a_100000753511_200025704644 [0,2,0,0,0,0|1,0,0]=3 3867 B13R1.140 CC(C)(C)c1ccc(cc1)CO[13CH3] 34a_100000211988_200025704644 [0,2,0,0,0,0|0,0,0]=2 3868 B13R1.140 CC(C)(C)c1ccc(cc1)CO[13CH3] 7a_100000211988_200025704644 [0,2,0,0,0,0|0,0,0]=2 3869 B13R1.140 CC(C)(C)c1ccc(cc1)CS[13CH3] 62a_100000212263_200025704644 [0,2,0,0,0,0|0,1,0]=3 3870 B13R1.140 CC(C)(C)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000211477 [0,2,0,0,0,0|0,1,0]=3 3871 B13R1.140 CC(C)(C)c1ccc(cc1)NCF 34a_100000210346_100015361967 [0,2,0,0,0,0|1,0,0]=3 3872 B13R1.140 CC(C)(C)c1ccc(cc1)NCF 7a_100000210346_100015361967 [0,2,0,0,0,0|1,0,0]=3 3873 B13R1.140 CC(C)(C)c1ccc(cc1)OCF 34a_100000185729_100015361967 [0,2,0,0,0,0|1,0,0]=3 3874 B13R1.140 CC(C)(C)c1ccc(cc1)OCF 7a_100000185729_100015361967 [0,2,0,0,0,0|1,0,0]=3 3875 B13R1.140 CC(C)(C)c1ccc(cc1)SCF 62a_100011215385_100015361967 [0,2,0,0,0,0|1,0,0]=3 3876 B13R1.140 CC(C)(C)c1ccc(cc1)SCF 62a_100015361967_100011215385 [0,2,0,0,0,0|1,0,0]=3 3877 B13R1.140 CC(C)(C)c1ccc(cn1)SCF 62a_100010245212_100015361967 [0,2,0,0,0,0|2,0,0]=4 3878 B13R1.140 CC(C)(C)c1ccc(cn1)SCF 62a_100015361967_100010245212 [0,2,0,0,0,0|2,0,0]=4 3879 B13R1.140 CC(C)(C)c1ccc(nc1)SCF 62a_100000686854_100015361967 [0,2,0,0,0,0|2,0,0]=4 3880 B13R1.140 CC(C)(C)c1ccc(nc1)SCF 62a_100015361967_100000686854 [0,2,0,0,0,0|2,0,0]=4 3881 B13R1.140 CC(C)(N)c1ccc(cc1)SCF 62a_100000739617_100015361967 [0,2,0,0,0,0|1,0,0]=3 3882 B13R1.140 CC(C)(N)c1ccc(cc1)SCF 62a_100015361967_100000739617 [0,2,0,0,0,0|1,0,0]=3 3883 B13R1.140 CC(C)(O)c1ccc(cc1)OCF 34a_100000695648_100015361967 [0,2,0,0,0,0|1,0,0]=3 3884 B13R1.140 CC(C)(O)c1ccc(cc1)OCF 7a_100000695648_100015361967 [0,2,0,0,0,0|1,0,0]=3 3885 B13R1.140 CC(C)(O)c1ccc(cc1)SCF 62a_100000753367_100015361967 [0,2,0,0,0,0|1,0,0]=3 3886 B13R1.140 CC(C)(O)c1ccc(cc1)SCF 62a_100015361967_100000753367 [0,2,0,0,0,0|1,0,0]=3 3887 B13R1.140 CC(C)(O)c1ccc(cn1)SCF 62a_100010246419_100015361967 [0,2,0,0,0,0|2,0,0]=4 3888 B13R1.140 CC(C)(O)c1ccc(cn1)SCF 62a_100015361967_100010246419 [0,2,0,0,0,0|2,0,0]=4 3889 B13R1.140 CC(C)(O)c1ccc(nc1)SCF 62a_100010080785_100015361967 [0,2,0,0,0,0|2,0,0]=4 3890 B13R1.140 CC(C)(O)c1ccc(nc1)SCF 62a_100015361967_100010080785 [0,2,0,0,0,0|2,0,0]=4 3891 B13R1.140 CC(F)(F)c1ccc(cc1)SCF 62a_100009817129_100015361967 [0,2,0,0,0,0|2,0,0]=4 3892 B13R1.140 CC(F)(F)c1ccc(cc1)SCF 62a_100015361967_100009817129 [0,2,0,0,0,0|2,0,0]=4 3893 B13R1.140 CC=Cc1ccc(cc1)C(C)(C)C 271570a_100016259895_100011215385 [0,2,0,0,0,0|1,0,1]=4 3894 B13R1.140 CC=Cc1ccc(cc1)C(C)(C)N 271570a_100016259895_100000739617 [0,2,0,0,0,0|1,0,1]=4 3895 B13R1.140 CC=Cc1ccc(cc1)C(C)(C)O 271570a_100016259895_100000753367 [0,2,0,0,0,0|1,0,1]=4 3896 B13R1.140 CCNc1ccc(cc1)C(C)(C)C 2230a_100000210346_100000210202 [0,2,0,0,0,0|1,0,0]=3 3897 B13R1.140 CCNc1ccc(cc1)C(C)(C)C 34a_100000210346_100000210202 [0,2,0,0,0,0|1,0,0]=3 3898 B13R1.140 CCNc1ccc(cc1)C(C)(C)C 7a_100000210346_100000210202 [0,2,0,0,0,0|1,0,0]=3 3899 B13R1.140 CCNc1ccc(cc1)[Si](C)(C)C 7a_100009954384_100000210202 [0,2,0,0,0,0|1,1,0]=4 3900 B13R1.140 CCOc1ccc(cc1)C(C)(C)C 34a_100000185729_100000210202 [0,2,0,0,0,0|1,0,0]=3 3901 B13R1.140 CCOc1ccc(cc1)C(C)(C)C 7a_100000185729_100000210202 [0,2,0,0,0,0|1,0,0]=3 3902 B13R1.140 CCOc1ccc(cc1)C(C)(C)O 34a_100000695648_100000210202 [0,2,0,0,0,0|1,0,0]=3 3903 B13R1.140 CCOc1ccc(cc1)C(C)(C)O 7a_100000695648_100000210202 [0,2,0,0,0,0|1,0,0]=3 3904 B13R1.140 CCSc1ccc(cc1)C(C)(C)C 62a_100000210202_100011215385 [0,2,0,0,0,0|1,0,0]=3 3905 B13R1.140 CCSc1ccc(cc1)C(C)(C)C 62a_100011215385_100000210202 [0,2,0,0,0,0|1,0,0]=3 3906 B13R1.140 CCSc1ccc(cc1)C(C)(C)N 62a_100000210202_100000739617 [0,2,0,0,0,0|1,0,0]=3 3907 B13R1.140 CCSc1ccc(cc1)C(C)(C)N 62a_100000739617_100000210202 [0,2,0,0,0,0|1,0,0]=3 3908 B13R1.140 CCSc1ccc(cc1)C(C)(C)O 62a_100000210202_100000753367 [0,2,0,0,0,0|1,0,0]=3 3909 B13R1.140 CCSc1ccc(cc1)C(C)(C)O 62a_100000753367_100000210202 [0,2,0,0,0,0|1,0,0]=3 3910 B13R1.140 CCSc1ccc(cc1)C(C)(F)F 62a_100000210202_100009817129 [0,2,0,0,0,0|2,0,0]=4 3911 B13R1.140 CCSc1ccc(cc1)C(C)(F)F 62a_100009817129_100000210202 [0,2,0,0,0,0|2,0,0]=4 3912 B13R1.140 CCSc1ccc(cc1)[Si](C)(C)C 62a_100000210202_100009813420 [0,2,0,0,0,0|1,1,0]=4 3913 B13R1.140 CCSc1ccc(cc1)[Si](C)(C)C 62a_100009813420_100000210202 [0,2,0,0,0,0|1,1,0]=4 3914 B13R1.140 CCSc1ccc(cn1)C(C)(C)C 62a_100000210202_100000686854 [0,2,0,0,0,0|2,0,0]=4 3915 B13R1.140 CCSc1ccc(cn1)C(C)(C)C 62a_100000686854_100000210202 [0,2,0,0,0,0|2,0,0]=4 3916 B13R1.140 CCSc1ccc(cn1)C(C)(C)O 62a_100000210202_100010080785 [0,2,0,0,0,0|2,0,0]=4 3917 B13R1.140 CCSc1ccc(cn1)C(C)(C)O 62a_100010080785_100000210202 [0,2,0,0,0,0|2,0,0]=4 3918 B13R1.140 CCSc1ccc(nc1)C(C)(C)C 62a_100000210202_100010245212 [0,2,0,0,0,0|2,0,0]=4 3919 B13R1.140 CCSc1ccc(nc1)C(C)(C)C 62a_100010245212_100000210202 [0,2,0,0,0,0|2,0,0]=4 3920 B13R1.140 CCSc1ccc(nc1)C(C)(C)O 62a_100000210202_100010246419 [0,2,0,0,0,0|2,0,0]=4 3921 B13R1.140 CCSc1ccc(nc1)C(C)(C)O 62a_100010246419_100000210202 [0,2,0,0,0,0|2,0,0]=4 3922 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 207a_100102657272_100000188519 [0,2,0,0,0,0|1,0,0]=3 3923 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 2230a_100000753511_200000210301 [0,2,0,0,0,0|1,0,0]=3 3924 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 2230a_106832991635_100000212263 [0,2,0,0,0,0|1,0,0]=3 3925 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 26a_100102657272_100000185729 [0,2,0,0,0,0|1,0,0]=3 3926 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 270004a_106832991635_100000188519 [0,2,0,0,0,0|1,0,0]=3 3927 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 34a_100000753511_200000210301 [0,2,0,0,0,0|1,0,0]=3 3928 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 34a_100102657272_100000212263 [0,2,0,0,0,0|1,0,0]=3 3929 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 7a_106832991635_100000212263 [0,2,0,0,0,0|1,0,0]=3 3930 B13R1.140 CNCc1ccc(cc1)C(C)(C)O 26a_100102657272_100000695648 [0,2,0,0,0,0|1,0,0]=3 3931 B13R1.140 CNCc1ccc(cc1)[N+](C)(C)C 207a_100102657272_200028087205 [0,2,0,0,0,0|2,0,0]=4 3932 B13R1.140 CNCc1ccc(cc1)[N+](C)(C)C 270004a_106832991635_200028087205 [0,2,0,0,0,0|2,0,0]=4 3933 B13R1.140 CNCc1ccc(cc1)[Si](C)(C)C 207a_100102657272_100000087359 [0,2,0,0,0,0|1,1,0]=4 3934 B13R1.140 CNCc1ccc(cc1)[Si](C)(C)C 270004a_106832991635_100000087359 [0,2,0,0,0,0|1,1,0]=4 3935 B13R1.140 CNCc1ccc(nc1)C(C)(C)C 207a_100102657272_100000090657 [0,2,0,0,0,0|2,0,0]=4 3936 B13R1.140 CNCc1ccc(nc1)C(C)(C)C 270004a_106832991635_100000090657 [0,2,0,0,0,0|2,0,0]=4 3937 B13R1.140 COCc1ccc(cc1)C(C)(C)C 34a_100000211988_200000210301 [0,2,0,0,0,0|0,0,0]=2 3938 B13R1.140 COCc1ccc(cc1)C(C)(C)C 34a_100138415774_100000212263 [0,2,0,0,0,0|0,0,0]=2 3939 B13R1.140 COCc1ccc(cc1)C(C)(C)C 7a_100000211988_200000210301 [0,2,0,0,0,0|0,0,0]=2 3940 B13R1.140 COCc1ccc(cc1)C(F)(F)F 34a_100011218637_200000210301 [0,2,0,0,0,0|2,0,0]=4 3941 B13R1.140 COCc1ccc(cc1)C(F)(F)F 34a_100138415774_100000217503 [0,2,0,0,0,0|2,0,0]=4 3942 B13R1.140 COCc1ccc(cc1)C(F)(F)F 7a_100011218637_200000210301 [0,2,0,0,0,0|2,0,0]=4 3943 B13R1.140 COCc1ccc(cc1)S(=O)(=O)C 34a_100000728255_200000210301 [0,2,0,0,0,0|2,0,0]=4 3944 B13R1.140 COCc1ccc(cc1)S(=O)(=O)C 34a_100138415774_100000717844 [0,2,0,0,0,0|2,0,0]=4 3945 B13R1.140 COCc1ccc(cc1)S(=O)(=O)C 7a_100000728255_200000210301 [0,2,0,0,0,0|2,0,0]=4 3946 B13R1.140 CS(=O)(=O)c1ccc(cc1)CO[13CH3] 34a_100000728255_200025704644 [0,2,0,0,0,0|2,0,0]=4 3947 B13R1.140 CS(=O)(=O)c1ccc(cc1)CO[13CH3] 7a_100000728255_200025704644 [0,2,0,0,0,0|2,0,0]=4 3948 B13R1.140 CSCc1ccc(cc1)C(C)(C)C 62a_100000212263_200000210301 [0,2,0,0,0,0|0,1,0]=3 3949 B13R1.140 CSCc1ccc(cc1)C(C)(C)C 62a_200000210301_100000211477 [0,2,0,0,0,0|0,1,0]=3 3950 B13R1.140 C[Si](C)(C)c1ccc(cc1)NCF 7a_100009954384_100015361967 [0,2,0,0,0,0|1,1,0]=4 3951 B13R1.140 C[Si](C)(C)c1ccc(cc1)SCF 62a_100009813420_100015361967 [0,2,0,0,0,0|1,1,0]=4 3952 B13R1.140 C[Si](C)(C)c1ccc(cc1)SCF 62a_100015361967_100009813420 [0,2,0,0,0,0|1,1,0]=4 3953 B13R1.140 [13CH3]OCc1ccc(cc1)C(F)(F)F 34a_100011218637_200025704644 [0,2,0,0,0,0|2,0,0]=4 3954 B13R1.140 [13CH3]OCc1ccc(cc1)C(F)(F)F 7a_100011218637_200025704644 [0,2,0,0,0,0|2,0,0]=4 3955 B13R1.338 C=C(C)c1ccc(cc1)C(C)(C)C 271570a_100000694244_100011215385 [0,2,0,0,0,0|1,0,1]=4 3956 B13R1.338 C=C(C)c1ccc(cc1)C(C)(C)N 271570a_100000694244_100000739617 [0,2,0,0,0,0|1,0,1]=4 3957 B13R1.338 C=C(C)c1ccc(cc1)C(C)(C)O 271570a_100000694244_100000753367 [0,2,0,0,0,0|0,0,2]=4 3958 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C 1458a_100000210226_200000210301 [0,2,0,0,0,0|0,0,2]=4 3959 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210226_200025704644 [0,2,0,0,0,0|0,0,2]=4 3960 B13R1.338 CN(C)c1ccc(cc1)C(C)(C)C 2230a_100000220326_200000210301 [0,2,0,0,0,0|2,0,0]=4 3961 B13R1.338 CN(C)c1ccc(cc1)C(C)(C)C 269982a_100000220326_200000210301 [0,2,0,0,0,0|2,0,0]=4 3962 B13R1.338 CN(C)c1ccc(cc1)C(C)(C)C 34a_100000220326_200000210301 [0,2,0,0,0,0|2,0,0]=4 3963 B13R1.338 CN(C)c1ccc(cc1)C(C)(C)C 38a_100000220326_200000210301 [0,2,0,0,0,0|2,0,0]=4 3964 B13R1.338 CN(C)c1ccc(cc1)C(C)(C)C 7a_100000220326_200000210301 [0,2,0,0,0,0|2,0,0]=4 3965 B13R1.338 CN(C)c1ccc(cc1)C(F)(F)F 269982a_100000220668_200000210301 [0,2,0,0,0,0|2,0,0]=4 3966 B13R1.338 CN(C)c1ccc(cc1)C(F)(F)F 34a_100000220668_200000210301 [0,2,0,0,0,0|2,0,0]=4 3967 B13R1.338 CN(C)c1ccc(cc1)C(F)(F)F 7a_100000220668_200000210301 [0,2,0,0,0,0|2,0,0]=4 3968 B13R1.338 CN([13CH3])c1ccc(cc1)C(C)(C)C 2230a_100000220326_200025704644 [0,2,0,0,0,0|2,0,0]=4 3969 B13R1.338 CN([13CH3])c1ccc(cc1)C(C)(C)C 269982a_100000220326_200025704644 [0,2,0,0,0,0|2,0,0]=4 3970 B13R1.338 CN([13CH3])c1ccc(cc1)C(C)(C)C 34a_100000220326_200025704644 [0,2,0,0,0,0|2,0,0]=4 3971 B13R1.338 CN([13CH3])c1ccc(cc1)C(C)(C)C 38a_100000220326_200025704644 [0,2,0,0,0,0|2,0,0]=4 3972 B13R1.338 CN([13CH3])c1ccc(cc1)C(C)(C)C 7a_100000220326_200025704644 [0,2,0,0,0,0|2,0,0]=4 3973 B13R1.338 CN([13CH3])c1ccc(cc1)C(F)(F)F 269982a_100000220668_200025704644 [0,2,0,0,0,0|2,0,0]=4 3974 B13R1.338 CN([13CH3])c1ccc(cc1)C(F)(F)F 34a_100000220668_200025704644 [0,2,0,0,0,0|2,0,0]=4 3975 B13R1.338 CN([13CH3])c1ccc(cc1)C(F)(F)F 7a_100000220668_200025704644 [0,2,0,0,0,0|2,0,0]=4 3976 B13R1.120 C=C(C)c1ccc(cc1Br)C(C)C 271570a_100000694244_200010212211 [0,2,0,0,0,0|1,0,1]=4 3977 B13R1.120 CC(=O)c1ccc(c(c1)Br)C(C)C 1458a_100010235942_200000210301 [0,2,0,0,0,0|0,0,2]=4 3978 B13R1.120 CC(=O)c1ccc(cc1F)C(C)C 1458a_100011941423_200000210301 [0,2,0,0,0,0|0,0,2]=4 3979 B13R1.120 CC(C)c1ccc(c(c1)F)C(=O)[13CH3] 1458a_100011941423_200025704644 [0,2,0,0,0,0|0,0,2]=4 3980 B13R1.120 CC(C)c1ccc(c(c1)O)B(O)O 271570a_203496583355_200010157546 [0,2,0,0,0,0|1,0,0]=3 3981 B13R1.120 CC(C)c1ccc(c(n1)O)B(O)O 271570a_203496583355_200000117345 [0,2,0,0,0,0|2,0,0]=4 3982 B13R1.120 CC(C)c1ccc(cc1Br)C(=O)[13CH3] 1458a_100010235942_200025704644 [0,2,0,0,0,0|0,0,2]=4 3983 B13R1.144 C=C(C)c1ccc(c(c1)F)CCO 271570a_100000694244_100011962869 [0,2,0,0,0,0|0,0,2]=4 3984 B13R1.144 C=C(C)c1ccc(c(c1)N)COC 271570a_100000694244_100013084866 [0,2,0,0,0,0|0,0,2]=4 3985 B13R1.144 C=C=Cc1ccc(cc1Br)C(C)C 271570a_100015277604_200010212211 [0,2,0,0,0,0|1,0,1]=4 3986 B13R1.144 CC(C)c1ccc(c(c1)Br)NCF 34a_100011218581_100015361967 [0,2,0,0,0,0|1,0,0]=3 3987 B13R1.144 CC(C)c1ccc(c(c1)Br)NCF 7a_100011218581_100015361967 [0,2,0,0,0,0|1,0,0]=3 3988 B13R1.144 CC(C)c1ccc(c(c1)Br)SCF 62a_100015361967_200010212211 [0,2,0,0,0,0|1,0,0]=3 3989 B13R1.144 CC(C)c1ccc(c(c1)Br)SCF 62a_200010212211_100015361967 [0,2,0,0,0,0|1,0,0]=3 3990 B13R1.144 CC(C)c1ccc(c(c1)Cl)OCF 34a_100012182850_100015361967 [0,2,0,0,0,0|1,0,0]=3 3991 B13R1.144 CC(C)c1ccc(c(c1)Cl)OCF 7a_100012182850_100015361967 [0,2,0,0,0,0|1,0,0]=3 3992 B13R1.144 CC(C)c1ccc(c(c1)I)NCF 34a_100012355998_100015361967 [0,2,0,0,0,0|1,0,0]=3 3993 B13R1.144 CC(C)c1ccc(c(c1)I)NCF 7a_100012355998_100015361967 [0,2,0,0,0,0|1,0,0]=3 3994 B13R1.144 CC(C)c1ccc(c(c1)N)OCF 34a_200000187366_100015361967 [0,2,0,0,0,0|1,0,0]=3 3995 B13R1.144 CC(C)c1ccc(c(c1)N)OCF 7a_200000187366_100015361967 [0,2,0,0,0,0|1,0,0]=3 3996 B13R1.144 CC=Cc1ccc(cc1Br)C(C)C 271570a_100016259895_200010212211 [0,2,0,0,0,0|1,0,1]=4 3997 B13R1.144 CCNc1ccc(cc1Br)C(C)C 2230a_100011218581_100000210202 [0,2,0,0,0,0|1,0,0]=3 3998 B13R1.144 CCNc1ccc(cc1Br)C(C)C 34a_100011218581_100000210202 [0,2,0,0,0,0|1,0,0]=3 3999 B13R1.144 CCNc1ccc(cc1Br)C(C)C 7a_100011218581_100000210202 [0,2,0,0,0,0|1,0,0]=3 4000 B13R1.144 CCNc1ccc(cc1Br)N(C)C 34a_200013039233_100000210202 [0,2,0,0,0,0|2,0,0]=4 4001 B13R1.144 CCNc1ccc(cc1C)N(C)C 34a_100000246174_100000210202 [0,2,0,0,0,0|2,0,0]=4 4002 B13R1.144 CCNc1ccc(cc1I)C(C)C 34a_100012355998_100000210202 [0,2,0,0,0,0|1,0,0]=3 4003 B13R1.144 CCNc1ccc(cc1I)C(C)C 7a_100012355998_100000210202 [0,2,0,0,0,0|1,0,0]=3 4004 B13R1.144 CCNc1cnc(cc1C)C(C)C 27a_100015525214_100021475462 [0,2,0,0,0,0|2,0,0]=4 4005 B13R1.144 CCOc1ccc(cc1C)C(C)C 34a_200012180908_100000210202 [0,2,0,0,0,0|1,0,0]=3 4006 B13R1.144 CCOc1ccc(cc1C)C(C)C 7a_200012180908_100000210202 [0,2,0,0,0,0|1,0,0]=3 4007 B13R1.144 CCOc1ccc(cc1Cl)C(C)C 34a_100012182850_100000210202 [0,2,0,0,0,0|1,0,0]=3 4008 B13R1.144 CCOc1ccc(cc1Cl)C(C)C 7a_100012182850_100000210202 [0,2,0,0,0,0|1,0,0]=3 4009 B13R1.144 CCOc1ccc(cc1N)C(C)C 34a_200000187366_100000210202 [0,2,0,0,0,0|1,0,0]=3 4010 B13R1.144 CCOc1ccc(cc1N)C(C)C 7a_200000187366_100000210202 [0,2,0,0,0,0|1,0,0]=3 4011 B13R1.144 CCSc1ccc(cc1Br)C(C)C 62a_100000210202_200010212211 [0,2,0,0,0,0|1,0,0]=3 4012 B13R1.144 CCSc1ccc(cc1Br)C(C)C 62a_200010212211_100000210202 [0,2,0,0,0,0|1,0,0]=3 4013 B13R1.144 CCSc1ccc(cc1C)N(C)C 62a_100000210202_100011934168 [0,2,0,0,0,0|2,0,0]=4 4014 B13R1.144 CCSc1ccc(cc1C)N(C)C 62a_100011934168_100000210202 [0,2,0,0,0,0|2,0,0]=4 4015 B13R1.144 CCSc1ccc(cc1F)[C@H](C)N 62a_100000210202_100134618348 [0,2,0,0,0,0|2,0,0]=4 4016 B13R1.144 CCSc1ccc(cc1F)[C@H](C)N 62a_100134618348_100000210202 [0,2,0,0,0,0|2,0,0]=4 4017 B13R1.144 CCSc1cnc(cc1C)C(C)C 62a_100000210202_100021475462 [0,2,0,0,0,0|2,0,0]=4 4018 B13R1.144 CCSc1cnc(cc1C)C(C)C 62a_100021475462_100000210202 [0,2,0,0,0,0|2,0,0]=4 4019 B13R1.144 CN(C)c1ccc(c(c1)Br)NCF 34a_200013039233_100015361967 [0,2,0,0,0,0|2,0,0]=4 4020 B13R1.144 CN(C)c1ccc(c(c1)Cl)CO[13CH3] 34a_200011997356_200025704644 [0,2,0,0,0,0|1,0,0]=3 4021 B13R1.144 CNCc1ccc(cc1Br)C(C)C 207a_100102657272_100010158967 [0,2,0,0,0,0|1,0,0]=3 4022 B13R1.144 CNCc1ccc(cc1Br)C(C)C 270004a_106832991635_100010158967 [0,2,0,0,0,0|1,0,0]=3 4023 B13R1.144 CNCc1ccc(cc1C)C(C)C 26a_100102657272_200012180908 [0,2,0,0,0,0|1,0,0]=3 4024 B13R1.144 CNCc1ccc(cc1C)N(C)C 207a_100102657272_100011615803 [0,2,0,0,0,0|2,0,0]=4 4025 B13R1.144 CNCc1ccc(cc1C)N(C)C 270004a_106832991635_100011615803 [0,2,0,0,0,0|2,0,0]=4 4026 B13R1.144 CNCc1ccc(cc1Cl)C(C)C 26a_100102657272_100012182850 [0,2,0,0,0,0|1,0,0]=3 4027 B13R1.144 CNCc1ccc(cc1Cl)N(C)C 207a_100102657272_100011219522 [0,2,0,0,0,0|2,0,0]=4 4028 B13R1.144 CNCc1ccc(cc1Cl)N(C)C 270004a_106832991635_100011219522 [0,2,0,0,0,0|2,0,0]=4 4029 B13R1.144 COCc1ccc(cc1Br)C(=O)C 34a_100138415774_100010884425 [0,2,0,0,0,0|1,0,1]=4 4030 B13R1.144 COCc1ccc(cc1Cl)N(C)C 34a_200011997356_200000210301 [0,2,0,0,0,0|1,0,0]=3 4031 B13R1.144 C[C@H](N)c1ccc(c(c1)F)SCF 62a_100015361967_100134618348 [0,2,0,0,0,0|2,0,0]=4 4032 B13R1.144 C[C@H](N)c1ccc(c(c1)F)SCF 62a_100134618348_100015361967 [0,2,0,0,0,0|2,0,0]=4 4033 B13R1.144 Cc1cc(ccc1NCF)N(C)C 34a_100000246174_100015361967 [0,2,0,0,0,0|2,0,0]=4 4034 B13R1.144 Cc1cc(ccc1OCF)C(C)C 34a_200012180908_100015361967 [0,2,0,0,0,0|1,0,0]=3 4035 B13R1.144 Cc1cc(ccc1OCF)C(C)C 7a_200012180908_100015361967 [0,2,0,0,0,0|1,0,0]=3 4036 B13R1.144 Cc1cc(ccc1SCF)N(C)C 62a_100011934168_100015361967 [0,2,0,0,0,0|2,0,0]=4 4037 B13R1.144 Cc1cc(ccc1SCF)N(C)C 62a_100015361967_100011934168 [0,2,0,0,0,0|2,0,0]=4 4038 B13R1.144 Cc1cc(ncc1SCF)C(C)C 62a_100015361967_100021475462 [0,2,0,0,0,0|2,0,0]=4 4039 B13R1.144 Cc1cc(ncc1SCF)C(C)C 62a_100021475462_100015361967 [0,2,0,0,0,0|2,0,0]=4 4040 B13R1.652 C=C(C)c1cc(c(cc1F)CO)F 271570a_100000694244_100012024398 [0,2,0,0,0,0|0,0,2]=4 4041 B13R1.652 COc1cc(c(cc1O)C(C)C)F 271570a_203496583355_200010202138 [0,2,0,0,0,0|2,0,0]=4 4042 B13R1.3091 C=C(C)c1ccc(c(c1)CO)CO 271570a_100000694244_100000719600 [0,2,0,0,0,0|0,0,2]=4 4043 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CO 271570a_100000694244_100011277633 [0,2,0,0,0,0|0,0,2]=4 4044 B13R1.3091 C=Cc1cc(ccc1C=O)C(C)C 271570a_100011290941_100010158967 [0,2,0,0,0,0|0,0,2]=4 4045 B13R1.3091 C=Cc1ccc(cc1OC)C(C)C 271570a_100011290941_100021623167 [0,2,0,0,0,0|1,0,1]=4 4046 B13R1.3091 CC(C)c1ccc(c(c1)C#N)N[13CH3] 2230a_100012186914_200025704644 [0,2,0,0,0,0|2,0,0]=4 4047 B13R1.3091 CC(C)c1ccc(c(c1)C#N)N[13CH3] 34a_100012186914_200025704644 [0,2,0,0,0,0|2,0,0]=4 4048 B13R1.3091 CC(C)c1ccc(c(c1)C#N)N[13CH3] 7a_100012186914_200025704644 [0,2,0,0,0,0|2,0,0]=4 4049 B13R1.3091 CC(C)c1ccc(c(c1)C#N)O[13CH3] 34a_100012186308_200025704644 [0,2,0,0,0,0|2,0,0]=4 4050 B13R1.3091 CC(C)c1ccc(c(c1)C#N)O[13CH3] 7a_100012186308_200025704644 [0,2,0,0,0,0|2,0,0]=4 4051 B13R1.3091 CC(C)c1ccc(c(c1)S[13CH3])C=O 62a_100010158967_200025704644 [0,2,0,0,0,0|0,0,2]=4 4052 B13R1.3091 CC(C)c1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100010158967 [0,2,0,0,0,0|0,0,2]=4 4053 B13R1.3091 CNc1ccc(cc1C#N)C(C)C 2230a_100012186914_200000210301 [0,2,0,0,0,0|2,0,0]=4 4054 B13R1.3091 CNc1ccc(cc1C#N)C(C)C 34a_100012186914_200000210301 [0,2,0,0,0,0|2,0,0]=4 4055 B13R1.3091 CNc1ccc(cc1C#N)C(C)C 7a_100012186914_200000210301 [0,2,0,0,0,0|2,0,0]=4 4056 B13R1.3091 COc1cc(ccc1SC)C(C)C 62a_100021623167_200000210301 [0,2,0,0,0,0|2,0,0]=4 4057 B13R1.3091 COc1cc(ccc1SC)C(C)C 62a_200000210301_100021623167 [0,2,0,0,0,0|2,0,0]=4 4058 B13R1.3091 COc1cc(ccc1S[13CH3])C(C)C 62a_100021623167_200025704644 [0,2,0,0,0,0|2,0,0]=4 4059 B13R1.3091 COc1cc(ccc1S[13CH3])C(C)C 62a_200025704644_100021623167 [0,2,0,0,0,0|2,0,0]=4 4060 B13R1.3091 COc1ccc(cc1C#N)C(C)C 34a_100012186308_200000210301 [0,2,0,0,0,0|2,0,0]=4 4061 B13R1.3091 COc1ccc(cc1C#N)C(C)C 7a_100012186308_200000210301 [0,2,0,0,0,0|2,0,0]=4 4062 B13R1.3091 CSc1cc(ccc1C=O)C(C)C 62a_100010158967_200000210301 [0,2,0,0,0,0|0,0,2]=4 4063 B13R1.3091 CSc1cc(ccc1C=O)C(C)C 62a_200000210301_100010158967 [0,2,0,0,0,0|0,0,2]=4 4064 B13R1.3096 C=C(C)c1ccc(c(c1F)F)CO 271570a_100000694244_100010712623 [0,2,0,0,0,0|0,0,2]=4 4065 B13R1.3380 C=C(C)c1cc(c(c(c1)C)CO)C 271570a_100000694244_100010128451 [0,2,0,0,0,0|0,0,2]=4 4066 B13R1.3380 C=C(C)c1cc(c(c(c1)Cl)CO)Cl 271570a_100000694244_200011001976 [0,2,0,0,0,0|0,0,2]=4 4067 B13R1.3380 C=C(C)c1cc(c(c(c1)F)CO)F 271570a_100000694244_100011219983 [0,2,0,0,0,0|0,0,2]=4 4068 B13R1.3380 CC(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_200000210301 [0,2,0,0,0,0|1,0,1]=4 4069 B13R1.3380 CC(C)c1cc(c(c(c1)Br)N[13CH3])Br 34a_100009813500_200025704644 [0,2,0,0,0,0|2,0,0]=4 4070 B13R1.3380 CC(C)c1cc(c(c(c1)Br)O[13CH3])Br 34a_200010158984_200025704644 [0,2,0,0,0,0|2,0,0]=4 4071 B13R1.3380 CC(C)c1cc(c(c(c1)Br)O[13CH3])Br 7a_200010158984_200025704644 [0,2,0,0,0,0|2,0,0]=4 4072 B13R1.3380 CNc1c(cc(cc1Br)C(C)C)Br 34a_100009813500_200000210301 [0,2,0,0,0,0|2,0,0]=4 4073 B13R1.3380 COc1c(cc(cc1Br)C(C)C)Br 34a_200010158984_200000210301 [0,2,0,0,0,0|2,0,0]=4 4074 B13R1.3380 COc1c(cc(cc1Br)C(C)C)Br 7a_200010158984_200000210301 [0,2,0,0,0,0|2,0,0]=4 4075 B13R1.3380 [13CH3]C(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_200025704644 [0,2,0,0,0,0|1,0,1]=4 4076 B13R1.74 C#CCNc1ccc(cc1)C(C)C 2230a_100000210773_100000038162 [0,2,0,0,0,0|1,0,0]=3 4077 B13R1.74 C#CCNc1ccc(cc1)C(C)C 34a_100000210773_100000184674 [0,2,0,0,0,0|1,0,0]=3 4078 B13R1.74 C#CCNc1ccc(cc1)C(C)C 7a_100000210773_100000038162 [0,2,0,0,0,0|1,0,0]=3 4079 B13R1.74 C#CCNc1ccc(cc1)C(C)O 2230a_100011216399_100000038162 [0,2,0,0,0,0|2,0,0]=4 4080 B13R1.74 C#CCNc1ccc(cc1)C(C)O 34a_100011216399_100000184674 [0,2,0,0,0,0|2,0,0]=4 4081 B13R1.74 C#CCNc1ccc(cc1)N(C)C 34a_100016997997_100000184674 [0,2,0,0,0,0|2,0,0]=4 4082 B13R1.74 C#CCOc1ccc(cc1)C(C)C 34a_100000181308_100000184674 [0,2,0,0,0,0|1,0,0]=3 4083 B13R1.74 C#CCOc1ccc(cc1)C(C)C 7a_100000181308_100000038162 [0,2,0,0,0,0|1,0,0]=3 4084 B13R1.74 C#CCOc1ccc(cc1)C(C)O 34a_100000754508_100000184674 [0,2,0,0,0,0|2,0,0]=4 4085 B13R1.74 C#CCOc1ccc(cc1)C(C)O 7a_100000754508_100000038162 [0,2,0,0,0,0|2,0,0]=4 4086 B13R1.74 C#CCOc1ccc(cc1)N(C)C 34a_100000718910_100000184674 [0,2,0,0,0,0|2,0,0]=4 4087 B13R1.74 C#CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000184674 [0,2,0,0,0,0|2,0,0]=4 4088 B13R1.74 C#CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000184674 [0,2,0,0,0,0|2,0,0]=4 4089 B13R1.74 C#CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000038162 [0,2,0,0,0,0|2,0,0]=4 4090 B13R1.74 C#CCSc1ccc(cc1)C(C)C 62a_100000038162_100000750031 [0,2,0,0,0,0|1,0,0]=3 4091 B13R1.74 C#CCSc1ccc(cc1)C(C)O 62a_100000038162_100000745893 [0,2,0,0,0,0|2,0,0]=4 4092 B13R1.74 C#CCSc1ccc(cc1)N(C)C 62a_100000038162_100000210421 [0,2,0,0,0,0|2,0,0]=4 4093 B13R1.74 C#CCSc1ccc(cc1)[C@@H](C)N 62a_100000038162_100000720352 [0,2,0,0,0,0|2,0,0]=4 4094 B13R1.74 C#CCSc1ccc(cc1)[C@H](C)N 62a_100000038162_100000753911 [0,2,0,0,0,0|2,0,0]=4 4095 B13R1.74 C#CCSc1ccc(cn1)C(C)C 62a_100000038162_200009815286 [0,2,0,0,0,0|2,0,0]=4 4096 B13R1.74 C#CCSc1ccc(nc1)C(C)C 62a_100000038162_100010255768 [0,2,0,0,0,0|2,0,0]=4 4097 B13R1.74 C=C(C)c1ccc(cc1)C#CCO 271570a_100000694244_100009814260 [0,2,0,0,0,0|0,0,2]=4 4098 B13R1.74 C=C(C)c1ccc(cc1)CCCO 271570a_100000694244_100011709247 [0,2,0,0,0,0|0,0,2]=4 4099 B13R1.74 C=C(C)c1ccc(cc1)CCOC 271570a_100000694244_100000739703 [0,2,0,0,0,0|0,0,2]=4 4100 B13R1.74 C=C(C)c1ccc(cc1)COCC 271570a_100000694244_100000758564 [0,2,0,0,0,0|0,0,2]=4 4101 B13R1.74 C=C(C)c1ccc(cc1)OCCO 271570a_100000694244_100000686261 [0,2,0,0,0,0|0,0,2]=4 4102 B13R1.74 C=C(C)c1ccc(cc1)OCCO 34a_100009880102_100000211926 [0,2,0,0,0,0|0,0,2]=4 4103 B13R1.74 C=C(C)c1ccc(cc1)OCCO 7a_100009880102_100000211926 [0,2,0,0,0,0|0,0,2]=4 4104 B13R1.74 C=C(C)c1ccc(cc1)OCOC 271570a_100000694244_100012265687 [0,2,0,0,0,0|0,0,2]=4 4105 B13R1.74 C=C(C)c1ccc(cc1)SCCO 62a_100000185454_100000211926 [0,2,0,0,0,0|0,0,2]=4 4106 B13R1.74 C=C(C)c1ccc(cc1)SCCO 62a_100000211926_100000185454 [0,2,0,0,0,0|0,0,2]=4 4107 B13R1.74 C=C(C)c1ccc(cc1)SCOC 62a_100000185454_100000766300 [0,2,0,0,0,0|0,0,2]=4 4108 B13R1.74 C=C(C)c1ccc(cc1)SCOC 62a_100000766300_100000185454 [0,2,0,0,0,0|0,0,2]=4 4109 B13R1.74 C=CCNc1ccc(cc1)C(C)C 2230a_100000210773_100000210623 [0,2,0,0,0,0|1,0,0]=3 4110 B13R1.74 C=CCNc1ccc(cc1)C(C)C 34a_100000210773_100015514636 [0,2,0,0,0,0|1,0,0]=3 4111 B13R1.74 C=CCNc1ccc(cc1)C(C)C 7a_100000210773_100015514636 [0,2,0,0,0,0|1,0,0]=3 4112 B13R1.74 C=CCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210623 [0,2,0,0,0,0|2,0,0]=4 4113 B13R1.74 C=CCNc1ccc(cc1)C(C)O 34a_100011216399_100015514636 [0,2,0,0,0,0|2,0,0]=4 4114 B13R1.74 C=CCNc1ccc(cc1)N(C)C 34a_100016997997_100015514636 [0,2,0,0,0,0|2,0,0]=4 4115 B13R1.74 C=CCOc1ccc(cc1)C(C)C 34a_100000181308_100015514636 [0,2,0,0,0,0|1,0,0]=3 4116 B13R1.74 C=CCOc1ccc(cc1)C(C)C 7a_100000181308_100015514636 [0,2,0,0,0,0|1,0,0]=3 4117 B13R1.74 C=CCOc1ccc(cc1)C(C)O 34a_100000754508_100015514636 [0,2,0,0,0,0|2,0,0]=4 4118 B13R1.74 C=CCOc1ccc(cc1)C(C)O 7a_100000754508_100015514636 [0,2,0,0,0,0|2,0,0]=4 4119 B13R1.74 C=CCOc1ccc(cc1)N(C)C 34a_100000718910_100015514636 [0,2,0,0,0,0|2,0,0]=4 4120 B13R1.74 C=CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100015514636 [0,2,0,0,0,0|2,0,0]=4 4121 B13R1.74 C=CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100015514636 [0,2,0,0,0,0|2,0,0]=4 4122 B13R1.74 C=CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100015514636 [0,2,0,0,0,0|2,0,0]=4 4123 B13R1.74 C=CCSc1ccc(cc1)C(C)C 62a_100000210623_100000750031 [0,2,0,0,0,0|1,0,0]=3 4124 B13R1.74 C=CCSc1ccc(cc1)C(C)C 62a_100000750031_100000210623 [0,2,0,0,0,0|1,0,0]=3 4125 B13R1.74 C=CCSc1ccc(cc1)C(C)O 62a_100000210623_100000745893 [0,2,0,0,0,0|2,0,0]=4 4126 B13R1.74 C=CCSc1ccc(cc1)C(C)O 62a_100000745893_100000210623 [0,2,0,0,0,0|2,0,0]=4 4127 B13R1.74 C=CCSc1ccc(cc1)N(C)C 62a_100000210421_100000210623 [0,2,0,0,0,0|2,0,0]=4 4128 B13R1.74 C=CCSc1ccc(cc1)N(C)C 62a_100000210623_100000210421 [0,2,0,0,0,0|2,0,0]=4 4129 B13R1.74 C=CCSc1ccc(cc1)[C@@H](C)N 62a_100000210623_100000720352 [0,2,0,0,0,0|2,0,0]=4 4130 B13R1.74 C=CCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210623 [0,2,0,0,0,0|2,0,0]=4 4131 B13R1.74 C=CCSc1ccc(cc1)[C@H](C)N 62a_100000210623_100000753911 [0,2,0,0,0,0|2,0,0]=4 4132 B13R1.74 C=CCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210623 [0,2,0,0,0,0|2,0,0]=4 4133 B13R1.74 C=CCSc1ccc(cn1)C(C)C 62a_100000210623_200009815286 [0,2,0,0,0,0|2,0,0]=4 4134 B13R1.74 C=CCSc1ccc(cn1)C(C)C 62a_200009815286_100000210623 [0,2,0,0,0,0|2,0,0]=4 4135 B13R1.74 C=CCSc1ccc(nc1)C(C)C 62a_100000210623_100010255768 [0,2,0,0,0,0|2,0,0]=4 4136 B13R1.74 C=CCSc1ccc(nc1)C(C)C 62a_100010255768_100000210623 [0,2,0,0,0,0|2,0,0]=4 4137 B13R1.74 CC(=O)c1ccc(cc1)COCF 7a_100000082505_100015361967 [0,2,0,0,0,0|1,0,1]=4 4138 B13R1.74 CC(=O)c1ccc(cc1)OCCO 1458a_100000217286_200000210301 [0,2,0,0,0,0|1,0,1]=4 4139 B13R1.74 CC(=O)c1ccc(cc1)OCCO 34a_100000185113_100000211926 [0,2,0,0,0,0|1,0,1]=4 4140 B13R1.74 CC(=O)c1ccc(cc1)OCCO 7a_100000185113_100000211926 [0,2,0,0,0,0|1,0,1]=4 4141 B13R1.74 CC(=O)c1ccc(cc1)SCCO 1458a_200000182347_200000210301 [0,2,0,0,0,0|1,0,1]=4 4142 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000185465_100000211926 [0,2,0,0,0,0|1,0,1]=4 4143 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000185465 [0,2,0,0,0,0|1,0,1]=4 4144 B13R1.74 CC(C)c1ccc(cc1)CCN[13CH3] 2230a_100000181363_200025704644 [0,2,0,0,0,0|1,0,0]=3 4145 B13R1.74 CC(C)c1ccc(cc1)CCN[13CH3] 34a_100000181363_200025704644 [0,2,0,0,0,0|1,0,0]=3 4146 B13R1.74 CC(C)c1ccc(cc1)CNCF 34a_100000174979_100015361967 [0,2,0,0,0,0|1,0,0]=3 4147 B13R1.74 CC(C)c1ccc(cc1)COCF 34a_100000181325_100015361967 [0,2,0,0,0,0|0,0,0]=2 4148 B13R1.74 CC(C)c1ccc(cc1)COCF 7a_100000181325_100015361967 [0,2,0,0,0,0|0,0,0]=2 4149 B13R1.74 CC(C)c1ccc(cc1)CSCF 62a_100000181262_100015361967 [0,2,0,0,0,0|0,1,0]=3 4150 B13R1.74 CC(C)c1ccc(cc1)CSCF 62a_100015361967_100000181262 [0,2,0,0,0,0|0,1,0]=3 4151 B13R1.74 CC(C)c1ccc(cc1)NCC#N 2230a_100000210773_100011215382 [0,2,0,0,0,0|1,0,0]=3 4152 B13R1.74 CC(C)c1ccc(cc1)NCC#N 7a_100000210773_100011215382 [0,2,0,0,0,0|1,0,0]=3 4153 B13R1.74 CC(C)c1ccc(cc1)NCC=O 2230a_100000210773_200015260668 [0,2,0,0,0,0|0,0,1]=3 4154 B13R1.74 CC(C)c1ccc(cc1)NCC=O 34a_100000210773_200009817547 [0,2,0,0,0,0|0,0,1]=3 4155 B13R1.74 CC(C)c1ccc(cc1)NCC=O 7a_100000210773_200015260668 [0,2,0,0,0,0|0,0,1]=3 4156 B13R1.74 CC(C)c1ccc(cc1)NCCF 2230a_100000210773_100011217306 [0,2,0,0,0,0|1,0,0]=3 4157 B13R1.74 CC(C)c1ccc(cc1)NCCF 34a_100000210773_100011217306 [0,2,0,0,0,0|1,0,0]=3 4158 B13R1.74 CC(C)c1ccc(cc1)NCCF 7a_100000210773_100011217306 [0,2,0,0,0,0|1,0,0]=3 4159 B13R1.74 CC(C)c1ccc(cc1)NCCO 2230a_100000210773_100000211926 [0,2,0,0,0,0|0,0,0]=2 4160 B13R1.74 CC(C)c1ccc(cc1)NCCO 34a_100000210773_100000211926 [0,2,0,0,0,0|0,0,0]=2 4161 B13R1.74 CC(C)c1ccc(cc1)NCCO 7a_100000210773_100000211926 [0,2,0,0,0,0|0,0,0]=2 4162 B13R1.74 CC(C)c1ccc(cc1)OCC#N 7a_100000181308_100011215382 [0,2,0,0,0,0|1,0,0]=3 4163 B13R1.74 CC(C)c1ccc(cc1)OCC=O 34a_100000181308_200009817547 [0,2,0,0,0,0|0,0,1]=3 4164 B13R1.74 CC(C)c1ccc(cc1)OCC=O 7a_100000181308_200015260668 [0,2,0,0,0,0|0,0,1]=3 4165 B13R1.74 CC(C)c1ccc(cc1)OCCF 34a_100000181308_100011217306 [0,2,0,0,0,0|1,0,0]=3 4166 B13R1.74 CC(C)c1ccc(cc1)OCCF 7a_100000181308_100011217306 [0,2,0,0,0,0|1,0,0]=3 4167 B13R1.74 CC(C)c1ccc(cc1)OCCO 34a_100000181308_100000211926 [0,2,0,0,0,0|0,0,0]=2 4168 B13R1.74 CC(C)c1ccc(cc1)OCCO 7a_100000181308_100000211926 [0,2,0,0,0,0|0,0,0]=2 4169 B13R1.74 CC(C)c1ccc(cc1)SCC#N 62a_100000750031_100011215382 [0,2,0,0,0,0|1,0,0]=3 4170 B13R1.74 CC(C)c1ccc(cc1)SCC#N 62a_100011215382_100000750031 [0,2,0,0,0,0|1,0,0]=3 4171 B13R1.74 CC(C)c1ccc(cc1)SCC=O 62a_100000750031_200015260668 [0,2,0,0,0,0|0,0,1]=3 4172 B13R1.74 CC(C)c1ccc(cc1)SCC=O 62a_200015260668_100000750031 [0,2,0,0,0,0|0,0,1]=3 4173 B13R1.74 CC(C)c1ccc(cc1)SCCF 62a_100000750031_100011217306 [0,2,0,0,0,0|1,0,0]=3 4174 B13R1.74 CC(C)c1ccc(cc1)SCCF 62a_100011217306_100000750031 [0,2,0,0,0,0|1,0,0]=3 4175 B13R1.74 CC(C)c1ccc(cc1)SCCO 62a_100000211926_100000750031 [0,2,0,0,0,0|0,0,0]=2 4176 B13R1.74 CC(C)c1ccc(cc1)SCCO 62a_100000750031_100000211926 [0,2,0,0,0,0|0,0,0]=2 4177 B13R1.74 CC(C)c1ccc(cn1)SCC#N 62a_100010255768_100011215382 [0,2,0,0,0,0|2,0,0]=4 4178 B13R1.74 CC(C)c1ccc(cn1)SCC#N 62a_100011215382_100010255768 [0,2,0,0,0,0|2,0,0]=4 4179 B13R1.74 CC(C)c1ccc(cn1)SCC=O 62a_100010255768_200015260668 [0,2,0,0,0,0|1,0,1]=4 4180 B13R1.74 CC(C)c1ccc(cn1)SCC=O 62a_200015260668_100010255768 [0,2,0,0,0,0|1,0,1]=4 4181 B13R1.74 CC(C)c1ccc(cn1)SCCF 62a_100010255768_100011217306 [0,2,0,0,0,0|2,0,0]=4 4182 B13R1.74 CC(C)c1ccc(cn1)SCCF 62a_100011217306_100010255768 [0,2,0,0,0,0|2,0,0]=4 4183 B13R1.74 CC(C)c1ccc(cn1)SCCO 62a_100000211926_100010255768 [0,2,0,0,0,0|1,0,0]=3 4184 B13R1.74 CC(C)c1ccc(cn1)SCCO 62a_100010255768_100000211926 [0,2,0,0,0,0|1,0,0]=3 4185 B13R1.74 CC(C)c1ccc(nc1)SCC#N 62a_100011215382_200009815286 [0,2,0,0,0,0|2,0,0]=4 4186 B13R1.74 CC(C)c1ccc(nc1)SCC#N 62a_200009815286_100011215382 [0,2,0,0,0,0|2,0,0]=4 4187 B13R1.74 CC(C)c1ccc(nc1)SCC=O 62a_200009815286_200015260668 [0,2,0,0,0,0|1,0,1]=4 4188 B13R1.74 CC(C)c1ccc(nc1)SCC=O 62a_200015260668_200009815286 [0,2,0,0,0,0|1,0,1]=4 4189 B13R1.74 CC(C)c1ccc(nc1)SCCF 62a_100011217306_200009815286 [0,2,0,0,0,0|2,0,0]=4 4190 B13R1.74 CC(C)c1ccc(nc1)SCCF 62a_200009815286_100011217306 [0,2,0,0,0,0|2,0,0]=4 4191 B13R1.74 CC(C)c1ccc(nc1)SCCO 62a_100000211926_200009815286 [0,2,0,0,0,0|1,0,0]=3 4192 B13R1.74 CC(C)c1ccc(nc1)SCCO 62a_200009815286_100000211926 [0,2,0,0,0,0|1,0,0]=3 4193 B13R1.74 CC(C)c1cnc(nc1)NCCO 27a_100000210304_100000102307 [0,2,0,0,0,0|2,0,0]=4 4194 B13R1.74 CC(C)c1cnc(nc1)SCCO 62a_100000102307_100000211926 [0,2,0,0,0,0|2,0,0]=4 4195 B13R1.74 CC(C)c1cnc(nc1)SCCO 62a_100000211926_100000102307 [0,2,0,0,0,0|2,0,0]=4 4196 B13R1.74 CC(C)c1ncc(cn1)NCCO 27a_100000210304_200009814916 [0,2,0,0,0,0|2,0,0]=4 4197 B13R1.74 CC(C)c1ncc(cn1)SCCO 62a_100000211926_200009814916 [0,2,0,0,0,0|2,0,0]=4 4198 B13R1.74 CC(C)c1ncc(cn1)SCCO 62a_200009814916_100000211926 [0,2,0,0,0,0|2,0,0]=4 4199 B13R1.74 CC(N)c1ccc(cn1)SCCO 62a_100000211926_100000723930 [0,2,0,0,0,0|2,0,0]=4 4200 B13R1.74 CC(N)c1ccc(cn1)SCCO 62a_100000723930_100000211926 [0,2,0,0,0,0|2,0,0]=4 4201 B13R1.74 CC(O)c1ccc(cc1)CNCF 34a_200000048501_100015361967 [0,2,0,0,0,0|2,0,0]=4 4202 B13R1.74 CC(O)c1ccc(cc1)NCC#N 2230a_100011216399_100011215382 [0,2,0,0,0,0|2,0,0]=4 4203 B13R1.74 CC(O)c1ccc(cc1)NCC=O 2230a_100011216399_200015260668 [0,2,0,0,0,0|1,0,1]=4 4204 B13R1.74 CC(O)c1ccc(cc1)NCC=O 34a_100011216399_200009817547 [0,2,0,0,0,0|1,0,1]=4 4205 B13R1.74 CC(O)c1ccc(cc1)NCCF 2230a_100011216399_100011217306 [0,2,0,0,0,0|2,0,0]=4 4206 B13R1.74 CC(O)c1ccc(cc1)NCCF 34a_100011216399_100011217306 [0,2,0,0,0,0|2,0,0]=4 4207 B13R1.74 CC(O)c1ccc(cc1)NCCO 2230a_100011216399_100000211926 [0,2,0,0,0,0|1,0,0]=3 4208 B13R1.74 CC(O)c1ccc(cc1)NCCO 34a_100011216399_100000211926 [0,2,0,0,0,0|1,0,0]=3 4209 B13R1.74 CC(O)c1ccc(cc1)OCC#N 7a_100000754508_100011215382 [0,2,0,0,0,0|2,0,0]=4 4210 B13R1.74 CC(O)c1ccc(cc1)OCC=O 34a_100000754508_200009817547 [0,2,0,0,0,0|1,0,1]=4 4211 B13R1.74 CC(O)c1ccc(cc1)OCC=O 7a_100000754508_200015260668 [0,2,0,0,0,0|1,0,1]=4 4212 B13R1.74 CC(O)c1ccc(cc1)OCCF 34a_100000754508_100011217306 [0,2,0,0,0,0|2,0,0]=4 4213 B13R1.74 CC(O)c1ccc(cc1)OCCF 7a_100000754508_100011217306 [0,2,0,0,0,0|2,0,0]=4 4214 B13R1.74 CC(O)c1ccc(cc1)OCCO 34a_100000754508_100000211926 [0,2,0,0,0,0|1,0,0]=3 4215 B13R1.74 CC(O)c1ccc(cc1)OCCO 7a_100000754508_100000211926 [0,2,0,0,0,0|1,0,0]=3 4216 B13R1.74 CC(O)c1ccc(cc1)SCC#N 62a_100000745893_100011215382 [0,2,0,0,0,0|2,0,0]=4 4217 B13R1.74 CC(O)c1ccc(cc1)SCC#N 62a_100011215382_100000745893 [0,2,0,0,0,0|2,0,0]=4 4218 B13R1.74 CC(O)c1ccc(cc1)SCC=O 62a_100000745893_200015260668 [0,2,0,0,0,0|1,0,1]=4 4219 B13R1.74 CC(O)c1ccc(cc1)SCC=O 62a_200015260668_100000745893 [0,2,0,0,0,0|1,0,1]=4 4220 B13R1.74 CC(O)c1ccc(cc1)SCCF 62a_100000745893_100011217306 [0,2,0,0,0,0|2,0,0]=4 4221 B13R1.74 CC(O)c1ccc(cc1)SCCF 62a_100011217306_100000745893 [0,2,0,0,0,0|2,0,0]=4 4222 B13R1.74 CC(O)c1ccc(cc1)SCCO 62a_100000211926_100000745893 [0,2,0,0,0,0|1,0,0]=3 4223 B13R1.74 CC(O)c1ccc(cc1)SCCO 62a_100000745893_100000211926 [0,2,0,0,0,0|1,0,0]=3 4224 B13R1.74 CC(O)c1ccc(cn1)SCCO 62a_100000211926_100012353650 [0,2,0,0,0,0|2,0,0]=4 4225 B13R1.74 CC(O)c1ccc(cn1)SCCO 62a_100012353650_100000211926 [0,2,0,0,0,0|2,0,0]=4 4226 B13R1.74 CC(O)c1ccc(nc1)SCCO 62a_100000211926_200010274204 [0,2,0,0,0,0|2,0,0]=4 4227 B13R1.74 CC(O)c1ccc(nc1)SCCO 62a_200010274204_100000211926 [0,2,0,0,0,0|2,0,0]=4 4228 B13R1.74 CC=NNc1ccc(cc1)C(C)C 4a_100000005945_200000210099 [0,2,0,0,0,0|1,0,1]=4 4229 B13R1.74 CCCCc1ccc(cc1)C(C)C 271570a_100020621405_100000750031 [0,2,0,0,0,0|1,0,0]=3 4230 B13R1.74 CCCCc1ccc(cc1)C(C)O 271570a_100020621405_100000745893 [0,2,0,0,0,0|2,0,0]=4 4231 B13R1.74 CCCCc1ccc(cc1)N(C)C 271570a_100020621405_100000210421 [0,2,0,0,0,0|2,0,0]=4 4232 B13R1.74 CCCCc1ccc(cc1)[C@@H](C)N 271570a_100020621405_100000720352 [0,2,0,0,0,0|2,0,0]=4 4233 B13R1.74 CCCCc1ccc(cc1)[C@H](C)N 271570a_100020621405_100000753911 [0,2,0,0,0,0|2,0,0]=4 4234 B13R1.74 CCCCc1ccc(cn1)C(C)C 271570a_100020621405_200009815286 [0,2,0,0,0,0|2,0,0]=4 4235 B13R1.74 CCCCc1ccc(nc1)C(C)C 271570a_100020621405_100010255768 [0,2,0,0,0,0|2,0,0]=4 4236 B13R1.74 CCCNc1ccc(cc1)C(C)C 2230a_100000210773_100000210303 [0,2,0,0,0,0|1,0,0]=3 4237 B13R1.74 CCCNc1ccc(cc1)C(C)C 34a_100000210773_100000210303 [0,2,0,0,0,0|1,0,0]=3 4238 B13R1.74 CCCNc1ccc(cc1)C(C)C 7a_100000210773_100000210303 [0,2,0,0,0,0|1,0,0]=3 4239 B13R1.74 CCCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210303 [0,2,0,0,0,0|2,0,0]=4 4240 B13R1.74 CCCNc1ccc(cc1)C(C)O 34a_100011216399_100000210303 [0,2,0,0,0,0|2,0,0]=4 4241 B13R1.74 CCCNc1ccc(cc1)N(C)C 34a_100016997997_100000210303 [0,2,0,0,0,0|2,0,0]=4 4242 B13R1.74 CCCOc1ccc(cc1)C(C)C 34a_100000181308_100000210303 [0,2,0,0,0,0|1,0,0]=3 4243 B13R1.74 CCCOc1ccc(cc1)C(C)C 7a_100000181308_100000210303 [0,2,0,0,0,0|1,0,0]=3 4244 B13R1.74 CCCOc1ccc(cc1)C(C)O 34a_100000754508_100000210303 [0,2,0,0,0,0|2,0,0]=4 4245 B13R1.74 CCCOc1ccc(cc1)C(C)O 7a_100000754508_100000210303 [0,2,0,0,0,0|2,0,0]=4 4246 B13R1.74 CCCOc1ccc(cc1)N(C)C 34a_100000718910_100000210303 [0,2,0,0,0,0|2,0,0]=4 4247 B13R1.74 CCCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210303 [0,2,0,0,0,0|2,0,0]=4 4248 B13R1.74 CCCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210303 [0,2,0,0,0,0|2,0,0]=4 4249 B13R1.74 CCCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210303 [0,2,0,0,0,0|2,0,0]=4 4250 B13R1.74 CCCSc1ccc(cc1)C(C)C 62a_100000210303_100000750031 [0,2,0,0,0,0|1,0,0]=3 4251 B13R1.74 CCCSc1ccc(cc1)C(C)C 62a_100000750031_100000210303 [0,2,0,0,0,0|1,0,0]=3 4252 B13R1.74 CCCSc1ccc(cc1)C(C)O 62a_100000210303_100000745893 [0,2,0,0,0,0|2,0,0]=4 4253 B13R1.74 CCCSc1ccc(cc1)C(C)O 62a_100000745893_100000210303 [0,2,0,0,0,0|2,0,0]=4 4254 B13R1.74 CCCSc1ccc(cc1)N(C)C 62a_100000210303_100000210421 [0,2,0,0,0,0|2,0,0]=4 4255 B13R1.74 CCCSc1ccc(cc1)N(C)C 62a_100000210421_100000210303 [0,2,0,0,0,0|2,0,0]=4 4256 B13R1.74 CCCSc1ccc(cc1)[C@@H](C)N 62a_100000210303_100000720352 [0,2,0,0,0,0|2,0,0]=4 4257 B13R1.74 CCCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210303 [0,2,0,0,0,0|2,0,0]=4 4258 B13R1.74 CCCSc1ccc(cc1)[C@H](C)N 62a_100000210303_100000753911 [0,2,0,0,0,0|2,0,0]=4 4259 B13R1.74 CCCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210303 [0,2,0,0,0,0|2,0,0]=4 4260 B13R1.74 CCCSc1ccc(cn1)C(C)C 62a_100000210303_200009815286 [0,2,0,0,0,0|2,0,0]=4 4261 B13R1.74 CCCSc1ccc(cn1)C(C)C 62a_200009815286_100000210303 [0,2,0,0,0,0|2,0,0]=4 4262 B13R1.74 CCCSc1ccc(nc1)C(C)C 62a_100000210303_100010255768 [0,2,0,0,0,0|2,0,0]=4 4263 B13R1.74 CCCSc1ccc(nc1)C(C)C 62a_100010255768_100000210303 [0,2,0,0,0,0|2,0,0]=4 4264 B13R1.74 CCNCc1ccc(cc1)C(C)C 207a_100015525214_100000210693 [0,2,0,0,0,0|1,0,0]=3 4265 B13R1.74 CCNCc1ccc(cc1)C(C)C 2230a_100000174979_100000210202 [0,2,0,0,0,0|1,0,0]=3 4266 B13R1.74 CCNCc1ccc(cc1)C(C)C 2230a_100015525214_100000181262 [0,2,0,0,0,0|1,0,0]=3 4267 B13R1.74 CCNCc1ccc(cc1)C(C)C 270004a_100015525214_100000210693 [0,2,0,0,0,0|1,0,0]=3 4268 B13R1.74 CCNCc1ccc(cc1)C(C)C 34a_100000174979_100000210202 [0,2,0,0,0,0|1,0,0]=3 4269 B13R1.74 CCNCc1ccc(cc1)C(C)O 2230a_200000048501_100000210202 [0,2,0,0,0,0|2,0,0]=4 4270 B13R1.74 CCNCc1ccc(cc1)C(C)O 34a_200000048501_100000210202 [0,2,0,0,0,0|2,0,0]=4 4271 B13R1.74 CCNCc1ccc(cc1)N(C)C 207a_100015525214_100000185837 [0,2,0,0,0,0|2,0,0]=4 4272 B13R1.74 CCNCc1ccc(cc1)N(C)C 270004a_100015525214_100000185837 [0,2,0,0,0,0|2,0,0]=4 4273 B13R1.74 CCOCc1ccc(cc1)C(=O)C 34a_100121572206_100000756337 [0,2,0,0,0,0|1,0,1]=4 4274 B13R1.74 CCOCc1ccc(cc1)C(=O)C 7a_100000082505_100000210202 [0,2,0,0,0,0|1,0,1]=4 4275 B13R1.74 CCOCc1ccc(cc1)C(C)C 34a_100000181325_100000210202 [0,2,0,0,0,0|0,0,0]=2 4276 B13R1.74 CCOCc1ccc(cc1)C(C)C 34a_100121572206_100000181262 [0,2,0,0,0,0|0,0,0]=2 4277 B13R1.74 CCOCc1ccc(cc1)C(C)C 7a_100000181325_100000210202 [0,2,0,0,0,0|0,0,0]=2 4278 B13R1.74 CCOCc1ccc(cc1)C(F)F 34a_100121572206_200012343607 [0,2,0,0,0,0|2,0,0]=4 4279 B13R1.74 CCOCc1ccc(cc1)N(C)C 34a_100000238745_100000210202 [0,2,0,0,0,0|1,0,0]=3 4280 B13R1.74 CCSCc1ccc(cc1)C(C)C 62a_100000181262_100000210202 [0,2,0,0,0,0|0,1,0]=3 4281 B13R1.74 CCSCc1ccc(cc1)C(C)C 62a_100000210202_100000181262 [0,2,0,0,0,0|0,1,0]=3 4282 B13R1.74 CN(C)c1ccc(cc1)CCN[13CH3] 34a_200103168616_200025704644 [0,2,0,0,0,0|2,0,0]=4 4283 B13R1.74 CN(C)c1ccc(cc1)CCO[13CH3] 34a_100011217799_200025704644 [0,2,0,0,0,0|1,0,0]=3 4284 B13R1.74 CN(C)c1ccc(cc1)COCF 34a_100000238745_100015361967 [0,2,0,0,0,0|1,0,0]=3 4285 B13R1.74 CN(C)c1ccc(cc1)NCC=O 34a_100016997997_200009817547 [0,2,0,0,0,0|1,0,1]=4 4286 B13R1.74 CN(C)c1ccc(cc1)NCCF 34a_100016997997_100011217306 [0,2,0,0,0,0|2,0,0]=4 4287 B13R1.74 CN(C)c1ccc(cc1)NCCO 34a_100016997997_100000211926 [0,2,0,0,0,0|1,0,0]=3 4288 B13R1.74 CN(C)c1ccc(cc1)OCC=O 34a_100000718910_200009817547 [0,2,0,0,0,0|1,0,1]=4 4289 B13R1.74 CN(C)c1ccc(cc1)OCCF 34a_100000718910_100011217306 [0,2,0,0,0,0|2,0,0]=4 4290 B13R1.74 CN(C)c1ccc(cc1)OCCO 34a_100000718910_100000211926 [0,2,0,0,0,0|1,0,0]=3 4291 B13R1.74 CN(C)c1ccc(cc1)SCC#N 62a_100000210421_100011215382 [0,2,0,0,0,0|2,0,0]=4 4292 B13R1.74 CN(C)c1ccc(cc1)SCC#N 62a_100011215382_100000210421 [0,2,0,0,0,0|2,0,0]=4 4293 B13R1.74 CN(C)c1ccc(cc1)SCC=O 62a_100000210421_200015260668 [0,2,0,0,0,0|1,0,1]=4 4294 B13R1.74 CN(C)c1ccc(cc1)SCC=O 62a_200015260668_100000210421 [0,2,0,0,0,0|1,0,1]=4 4295 B13R1.74 CN(C)c1ccc(cc1)SCCF 62a_100000210421_100011217306 [0,2,0,0,0,0|2,0,0]=4 4296 B13R1.74 CN(C)c1ccc(cc1)SCCF 62a_100011217306_100000210421 [0,2,0,0,0,0|2,0,0]=4 4297 B13R1.74 CN(C)c1ccc(cc1)SCCO 62a_100000210421_100000211926 [0,2,0,0,0,0|1,0,0]=3 4298 B13R1.74 CN(C)c1ccc(cc1)SCCO 62a_100000211926_100000210421 [0,2,0,0,0,0|1,0,0]=3 4299 B13R1.74 CN(C)c1ccc(cn1)SCCO 62a_100000211926_100011465347 [0,2,0,0,0,0|2,0,0]=4 4300 B13R1.74 CN(C)c1ccc(cn1)SCCO 62a_100011465347_100000211926 [0,2,0,0,0,0|2,0,0]=4 4301 B13R1.74 CN(C)c1ccc(nc1)SCCO 62a_100000211926_100009992925 [0,2,0,0,0,0|2,0,0]=4 4302 B13R1.74 CN(C)c1ccc(nc1)SCCO 62a_100009992925_100000211926 [0,2,0,0,0,0|2,0,0]=4 4303 B13R1.74 CNCCc1ccc(cc1)C(C)C 2230a_100000181363_200000210301 [0,2,0,0,0,0|1,0,0]=3 4304 B13R1.74 CNCCc1ccc(cc1)C(C)C 270004a_106832991635_100000694422 [0,2,0,0,0,0|1,0,0]=3 4305 B13R1.74 CNCCc1ccc(cc1)C(C)C 34a_100000181363_200000210301 [0,2,0,0,0,0|1,0,0]=3 4306 B13R1.74 CNCCc1ccc(cc1)N(C)C 34a_200103168616_200000210301 [0,2,0,0,0,0|2,0,0]=4 4307 B13R1.74 COCCc1ccc(cc1)C(=O)C 34a_100138415774_200000038727 [0,2,0,0,0,0|1,0,1]=4 4308 B13R1.74 COCCc1ccc(cc1)N(C)C 34a_100011217799_200000210301 [0,2,0,0,0,0|1,0,0]=3 4309 B13R1.74 COCNc1ccc(cc1)C(C)C 2230a_100000210773_100000766300 [0,2,0,0,0,0|0,0,0]=2 4310 B13R1.74 COCNc1ccc(cc1)C(C)O 2230a_100011216399_100000766300 [0,2,0,0,0,0|1,0,0]=3 4311 B13R1.74 COCOc1ccc(cc1)C(=O)C 1458a_100000230389_200000210301 [0,2,0,0,0,0|1,0,1]=4 4312 B13R1.74 COCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000230389_200025704644 [0,2,0,0,0,0|1,0,1]=4 4313 B13R1.74 COCSc1ccc(cc1)C(=O)C 62a_100000185465_100000766300 [0,2,0,0,0,0|1,0,1]=4 4314 B13R1.74 COCSc1ccc(cc1)C(=O)C 62a_100000766300_100000185465 [0,2,0,0,0,0|1,0,1]=4 4315 B13R1.74 COCSc1ccc(cc1)C(C)C 62a_100000750031_100000766300 [0,2,0,0,0,0|0,0,0]=2 4316 B13R1.74 COCSc1ccc(cc1)C(C)C 62a_100000766300_100000750031 [0,2,0,0,0,0|0,0,0]=2 4317 B13R1.74 COCSc1ccc(cc1)C(C)O 62a_100000745893_100000766300 [0,2,0,0,0,0|1,0,0]=3 4318 B13R1.74 COCSc1ccc(cc1)C(C)O 62a_100000766300_100000745893 [0,2,0,0,0,0|1,0,0]=3 4319 B13R1.74 COCSc1ccc(cc1)C(F)F 62a_100000687661_100000766300 [0,2,0,0,0,0|2,0,0]=4 4320 B13R1.74 COCSc1ccc(cc1)C(F)F 62a_100000766300_100000687661 [0,2,0,0,0,0|2,0,0]=4 4321 B13R1.74 COCSc1ccc(cc1)N(C)C 62a_100000210421_100000766300 [0,2,0,0,0,0|1,0,0]=3 4322 B13R1.74 COCSc1ccc(cc1)N(C)C 62a_100000766300_100000210421 [0,2,0,0,0,0|1,0,0]=3 4323 B13R1.74 COCSc1ccc(cc1)S(=O)C 62a_100009816266_100000766300 [0,2,0,0,0,0|2,0,0]=4 4324 B13R1.74 COCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000766300 [0,2,0,0,0,0|1,0,0]=3 4325 B13R1.74 COCSc1ccc(cc1)[C@@H](C)N 62a_100000766300_100000720352 [0,2,0,0,0,0|1,0,0]=3 4326 B13R1.74 COCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000766300 [0,2,0,0,0,0|1,0,0]=3 4327 B13R1.74 COCSc1ccc(cc1)[C@H](C)N 62a_100000766300_100000753911 [0,2,0,0,0,0|1,0,0]=3 4328 B13R1.74 COCSc1ccc(cn1)C(C)C 62a_100000766300_200009815286 [0,2,0,0,0,0|1,0,0]=3 4329 B13R1.74 COCSc1ccc(cn1)C(C)C 62a_200009815286_100000766300 [0,2,0,0,0,0|1,0,0]=3 4330 B13R1.74 COCSc1ccc(cn1)C(C)O 62a_100000766300_200010274204 [0,2,0,0,0,0|2,0,0]=4 4331 B13R1.74 COCSc1ccc(cn1)C(C)O 62a_200010274204_100000766300 [0,2,0,0,0,0|2,0,0]=4 4332 B13R1.74 COCSc1ccc(cn1)N(C)C 62a_100000766300_100009992925 [0,2,0,0,0,0|2,0,0]=4 4333 B13R1.74 COCSc1ccc(cn1)N(C)C 62a_100009992925_100000766300 [0,2,0,0,0,0|2,0,0]=4 4334 B13R1.74 COCSc1ccc(cn1)[C@H](C)N 62a_100000766300_100015387476 [0,2,0,0,0,0|2,0,0]=4 4335 B13R1.74 COCSc1ccc(cn1)[C@H](C)N 62a_100015387476_100000766300 [0,2,0,0,0,0|2,0,0]=4 4336 B13R1.74 COCSc1ccc(nc1)C(C)C 62a_100000766300_100010255768 [0,2,0,0,0,0|1,0,0]=3 4337 B13R1.74 COCSc1ccc(nc1)C(C)C 62a_100010255768_100000766300 [0,2,0,0,0,0|1,0,0]=3 4338 B13R1.74 COCSc1ccc(nc1)C(C)N 62a_100000723930_100000766300 [0,2,0,0,0,0|2,0,0]=4 4339 B13R1.74 COCSc1ccc(nc1)C(C)N 62a_100000766300_100000723930 [0,2,0,0,0,0|2,0,0]=4 4340 B13R1.74 COCSc1ccc(nc1)C(C)O 62a_100000766300_100012353650 [0,2,0,0,0,0|2,0,0]=4 4341 B13R1.74 COCSc1ccc(nc1)C(C)O 62a_100012353650_100000766300 [0,2,0,0,0,0|2,0,0]=4 4342 B13R1.74 COCSc1ccc(nc1)N(C)C 62a_100000766300_100011465347 [0,2,0,0,0,0|2,0,0]=4 4343 B13R1.74 COCSc1ccc(nc1)N(C)C 62a_100011465347_100000766300 [0,2,0,0,0,0|2,0,0]=4 4344 B13R1.74 COCSc1cnc(nc1)C(C)C 62a_100000766300_200009814916 [0,2,0,0,0,0|2,0,0]=4 4345 B13R1.74 COCSc1cnc(nc1)C(C)C 62a_200009814916_100000766300 [0,2,0,0,0,0|2,0,0]=4 4346 B13R1.74 COCSc1ncc(cn1)C(C)C 62a_100000102307_100000766300 [0,2,0,0,0,0|2,0,0]=4 4347 B13R1.74 COCSc1ncc(cn1)C(C)C 62a_100000766300_100000102307 [0,2,0,0,0,0|2,0,0]=4 4348 B13R1.74 CS(=O)c1ccc(cc1)OCCO 34a_200000064373_100000211926 [0,2,0,0,0,0|2,0,0]=4 4349 B13R1.74 CS(=O)c1ccc(cc1)OCCO 7a_200000064373_100000211926 [0,2,0,0,0,0|2,0,0]=4 4350 B13R1.74 CS(=O)c1ccc(cc1)SCCO 62a_100009816266_100000211926 [0,2,0,0,0,0|2,0,0]=4 4351 B13R1.74 CSCNc1ccc(cc1)C(C)C 2230a_100000210773_100011218213 [0,2,0,0,0,0|0,1,0]=3 4352 B13R1.74 CSCNc1ccc(cc1)C(C)C 34a_100000210773_100011218213 [0,2,0,0,0,0|0,1,0]=3 4353 B13R1.74 CSCNc1ccc(cc1)C(C)O 2230a_100011216399_100011218213 [0,2,0,0,0,0|1,1,0]=4 4354 B13R1.74 CSCNc1ccc(cc1)C(C)O 34a_100011216399_100011218213 [0,2,0,0,0,0|1,1,0]=4 4355 B13R1.74 CSCNc1ccc(cc1)N(C)C 34a_100016997997_100011218213 [0,2,0,0,0,0|1,1,0]=4 4356 B13R1.74 CSCOc1ccc(cc1)C(C)C 34a_100000181308_100011218213 [0,2,0,0,0,0|0,1,0]=3 4357 B13R1.74 CSCOc1ccc(cc1)C(C)O 34a_100000754508_100011218213 [0,2,0,0,0,0|1,1,0]=4 4358 B13R1.74 CSCOc1ccc(cc1)N(C)C 34a_100000718910_100011218213 [0,2,0,0,0,0|1,1,0]=4 4359 B13R1.74 CSCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100011218213 [0,2,0,0,0,0|1,1,0]=4 4360 B13R1.74 CSCOc1ccc(cc1)[S+](C)C 34a_100010188728_100011218213 [0,2,0,0,0,0|1,1,0]=4 4361 B13R1.74 CSCSc1ccc(cc1)C(C)C 62a_100000750031_100011218213 [0,2,0,0,0,0|0,1,0]=3 4362 B13R1.74 CSCSc1ccc(cc1)C(C)C 62a_100011218213_100000750031 [0,2,0,0,0,0|0,1,0]=3 4363 B13R1.74 CSCSc1ccc(cc1)C(C)O 62a_100000745893_100011218213 [0,2,0,0,0,0|1,1,0]=4 4364 B13R1.74 CSCSc1ccc(cc1)C(C)O 62a_100011218213_100000745893 [0,2,0,0,0,0|1,1,0]=4 4365 B13R1.74 CSCSc1ccc(cc1)N(C)C 62a_100000210421_100011218213 [0,2,0,0,0,0|1,1,0]=4 4366 B13R1.74 CSCSc1ccc(cc1)N(C)C 62a_100011218213_100000210421 [0,2,0,0,0,0|1,1,0]=4 4367 B13R1.74 CSCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100011218213 [0,2,0,0,0,0|1,1,0]=4 4368 B13R1.74 CSCSc1ccc(cc1)[C@@H](C)N 62a_100011218213_100000720352 [0,2,0,0,0,0|1,1,0]=4 4369 B13R1.74 CSCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100011218213 [0,2,0,0,0,0|1,1,0]=4 4370 B13R1.74 CSCSc1ccc(cc1)[C@H](C)N 62a_100011218213_100000753911 [0,2,0,0,0,0|1,1,0]=4 4371 B13R1.74 CSCSc1ccc(cn1)C(C)C 62a_100011218213_200009815286 [0,2,0,0,0,0|1,1,0]=4 4372 B13R1.74 CSCSc1ccc(cn1)C(C)C 62a_200009815286_100011218213 [0,2,0,0,0,0|1,1,0]=4 4373 B13R1.74 CSCSc1ccc(nc1)C(C)C 62a_100010255768_100011218213 [0,2,0,0,0,0|1,1,0]=4 4374 B13R1.74 CSCSc1ccc(nc1)C(C)C 62a_100011218213_100010255768 [0,2,0,0,0,0|1,1,0]=4 4375 B13R1.74 C[C@@H](N)c1ccc(cc1)SCC#N 62a_100000720352_100011215382 [0,2,0,0,0,0|2,0,0]=4 4376 B13R1.74 C[C@@H](N)c1ccc(cc1)SCC#N 62a_100011215382_100000720352 [0,2,0,0,0,0|2,0,0]=4 4377 B13R1.74 C[C@@H](N)c1ccc(cc1)SCC=O 62a_100000720352_200015260668 [0,2,0,0,0,0|1,0,1]=4 4378 B13R1.74 C[C@@H](N)c1ccc(cc1)SCC=O 62a_200015260668_100000720352 [0,2,0,0,0,0|1,0,1]=4 4379 B13R1.74 C[C@@H](N)c1ccc(cc1)SCCF 62a_100000720352_100011217306 [0,2,0,0,0,0|2,0,0]=4 4380 B13R1.74 C[C@@H](N)c1ccc(cc1)SCCF 62a_100011217306_100000720352 [0,2,0,0,0,0|2,0,0]=4 4381 B13R1.74 C[C@@H](N)c1ccc(cc1)SCCO 62a_100000211926_100000720352 [0,2,0,0,0,0|1,0,0]=3 4382 B13R1.74 C[C@@H](N)c1ccc(cc1)SCCO 62a_100000720352_100000211926 [0,2,0,0,0,0|1,0,0]=3 4383 B13R1.74 C[C@H](N)c1ccc(cc1)OCC=O 34a_100161106496_200009817547 [0,2,0,0,0,0|1,0,1]=4 4384 B13R1.74 C[C@H](N)c1ccc(cc1)OCCF 34a_100161106496_100011217306 [0,2,0,0,0,0|2,0,0]=4 4385 B13R1.74 C[C@H](N)c1ccc(cc1)OCCO 34a_100161106496_100000211926 [0,2,0,0,0,0|1,0,0]=3 4386 B13R1.74 C[C@H](N)c1ccc(cc1)SCC#N 62a_100000753911_100011215382 [0,2,0,0,0,0|2,0,0]=4 4387 B13R1.74 C[C@H](N)c1ccc(cc1)SCC#N 62a_100011215382_100000753911 [0,2,0,0,0,0|2,0,0]=4 4388 B13R1.74 C[C@H](N)c1ccc(cc1)SCC=O 62a_100000753911_200015260668 [0,2,0,0,0,0|1,0,1]=4 4389 B13R1.74 C[C@H](N)c1ccc(cc1)SCC=O 62a_200015260668_100000753911 [0,2,0,0,0,0|1,0,1]=4 4390 B13R1.74 C[C@H](N)c1ccc(cc1)SCCF 62a_100000753911_100011217306 [0,2,0,0,0,0|2,0,0]=4 4391 B13R1.74 C[C@H](N)c1ccc(cc1)SCCF 62a_100011217306_100000753911 [0,2,0,0,0,0|2,0,0]=4 4392 B13R1.74 C[C@H](N)c1ccc(cc1)SCCO 62a_100000211926_100000753911 [0,2,0,0,0,0|1,0,0]=3 4393 B13R1.74 C[C@H](N)c1ccc(cc1)SCCO 62a_100000753911_100000211926 [0,2,0,0,0,0|1,0,0]=3 4394 B13R1.74 C[C@H](N)c1ccc(nc1)SCCO 62a_100000211926_100015387476 [0,2,0,0,0,0|2,0,0]=4 4395 B13R1.74 C[C@H](N)c1ccc(nc1)SCCO 62a_100015387476_100000211926 [0,2,0,0,0,0|2,0,0]=4 4396 B13R1.74 C[S+](C)c1ccc(cc1)OCC#N 7a_100010188728_100011215382 [0,2,0,0,0,0|2,0,0]=4 4397 B13R1.74 C[S+](C)c1ccc(cc1)OCC=O 34a_100010188728_200009817547 [0,2,0,0,0,0|1,0,1]=4 4398 B13R1.74 C[S+](C)c1ccc(cc1)OCC=O 7a_100010188728_200015260668 [0,2,0,0,0,0|1,0,1]=4 4399 B13R1.74 C[S+](C)c1ccc(cc1)OCCF 34a_100010188728_100011217306 [0,2,0,0,0,0|2,0,0]=4 4400 B13R1.74 C[S+](C)c1ccc(cc1)OCCF 7a_100010188728_100011217306 [0,2,0,0,0,0|2,0,0]=4 4401 B13R1.74 C[S+](C)c1ccc(cc1)OCCO 34a_100010188728_100000211926 [0,2,0,0,0,0|1,0,0]=3 4402 B13R1.74 C[S+](C)c1ccc(cc1)OCCO 7a_100010188728_100000211926 [0,2,0,0,0,0|1,0,0]=3 4403 B13R1.74 OCCNc1ccc(cc1)C(F)F 34a_100020620101_100000211926 [0,2,0,0,0,0|2,0,0]=4 4404 B13R1.74 OCCNc1ccc(cc1)C(F)F 7a_100020620101_100000211926 [0,2,0,0,0,0|2,0,0]=4 4405 B13R1.74 OCCSc1ccc(cc1)C(F)F 62a_100000211926_100000687661 [0,2,0,0,0,0|2,0,0]=4 4406 B13R1.74 OCCSc1ccc(cc1)C(F)F 62a_100000687661_100000211926 [0,2,0,0,0,0|2,0,0]=4 4407 B13R1.74 [13CH3]C(=O)c1ccc(cc1)OCCO 1458a_100000217286_200025704644 [0,2,0,0,0,0|1,0,1]=4 4408 B13R1.74 [13CH3]C(=O)c1ccc(cc1)SCCO 1458a_200000182347_200025704644 [0,2,0,0,0,0|1,0,1]=4 4409 B13R1.385 C=C(C)c1ccc(cc1F)CCO 271570a_100000694244_100012921202 [0,2,0,0,0,0|0,0,2]=4 4410 B13R1.385 C=C(C)c1ccc(cc1F)COC 271570a_100000694244_100010177442 [0,2,0,0,0,0|0,0,2]=4 4411 B13R1.385 C=C(C)c1ccc(cc1N)COC 271570a_100000694244_200013033220 [0,2,0,0,0,0|0,0,2]=4 4412 B13R1.385 CC(N)c1ccc(cc1F)SCF 62a_100000730447_100015361967 [0,2,0,0,0,0|2,0,0]=4 4413 B13R1.385 CC(N)c1ccc(cc1F)SCF 62a_100015361967_100000730447 [0,2,0,0,0,0|2,0,0]=4 4414 B13R1.385 CCNc1ccc(c(c1)C)C(C)C 2230a_100000005830_100000210202 [0,2,0,0,0,0|1,0,0]=3 4415 B13R1.385 CCNc1ccc(c(c1)C)C(C)C 34a_100000005830_100000210202 [0,2,0,0,0,0|1,0,0]=3 4416 B13R1.385 CCNc1ccc(c(c1)C)C(C)C 7a_100000005830_100000210202 [0,2,0,0,0,0|1,0,0]=3 4417 B13R1.385 CCNc1ccc(c(c1)C)N(C)C 34a_100000738307_100000210202 [0,2,0,0,0,0|2,0,0]=4 4418 B13R1.385 CCNc1ccc(c(c1)Cl)N(C)C 34a_100000742791_100000210202 [0,2,0,0,0,0|2,0,0]=4 4419 B13R1.385 CCNc1ccc(c(c1)F)N(C)C 34a_100011248830_100000210202 [0,2,0,0,0,0|2,0,0]=4 4420 B13R1.385 CCOc1ccc(c(c1)C)C(C)C 34a_100000210824_100000210202 [0,2,0,0,0,0|1,0,0]=3 4421 B13R1.385 CCOc1ccc(c(c1)C)C(C)C 7a_100000210824_100000210202 [0,2,0,0,0,0|1,0,0]=3 4422 B13R1.385 CCSc1ccc(c(c1)F)C(C)N 62a_100000210202_100000730447 [0,2,0,0,0,0|2,0,0]=4 4423 B13R1.385 CCSc1ccc(c(c1)F)C(C)N 62a_100000730447_100000210202 [0,2,0,0,0,0|2,0,0]=4 4424 B13R1.385 CCSc1ccc(c(c1)N)N(C)C 62a_100000210202_100000737018 [0,2,0,0,0,0|2,0,0]=4 4425 B13R1.385 CCSc1ccc(c(c1)N)N(C)C 62a_100000737018_100000210202 [0,2,0,0,0,0|2,0,0]=4 4426 B13R1.385 CN(C)c1ccc(cc1Cl)NCF 34a_100000742791_100015361967 [0,2,0,0,0,0|2,0,0]=4 4427 B13R1.385 CN(C)c1ccc(cc1F)CN[13CH3] 34a_106744497425_200025704644 [0,2,0,0,0,0|2,0,0]=4 4428 B13R1.385 CN(C)c1ccc(cc1F)NCF 34a_100011248830_100015361967 [0,2,0,0,0,0|2,0,0]=4 4429 B13R1.385 CN(C)c1ccc(cc1N)SCF 62a_100000737018_100015361967 [0,2,0,0,0,0|2,0,0]=4 4430 B13R1.385 CN(C)c1ccc(cc1N)SCF 62a_100015361967_100000737018 [0,2,0,0,0,0|2,0,0]=4 4431 B13R1.385 CNCc1ccc(c(c1)Br)N(C)C 207a_100102657272_200011298039 [0,2,0,0,0,0|2,0,0]=4 4432 B13R1.385 CNCc1ccc(c(c1)Br)N(C)C 270004a_106832991635_200011298039 [0,2,0,0,0,0|2,0,0]=4 4433 B13R1.385 CNCc1ccc(c(c1)C)C(C)C 26a_100102657272_100000210824 [0,2,0,0,0,0|1,0,0]=3 4434 B13R1.385 CNCc1ccc(c(c1)C)N(C)C 207a_100102657272_100011216806 [0,2,0,0,0,0|2,0,0]=4 4435 B13R1.385 CNCc1ccc(c(c1)C)N(C)C 270004a_106832991635_100011216806 [0,2,0,0,0,0|2,0,0]=4 4436 B13R1.385 CNCc1ccc(c(c1)F)N(C)C 34a_106744497425_200000210301 [0,2,0,0,0,0|2,0,0]=4 4437 B13R1.385 Cc1cc(ccc1C(C)C)NCF 34a_100000005830_100015361967 [0,2,0,0,0,0|1,0,0]=3 4438 B13R1.385 Cc1cc(ccc1C(C)C)NCF 7a_100000005830_100015361967 [0,2,0,0,0,0|1,0,0]=3 4439 B13R1.385 Cc1cc(ccc1C(C)C)OCF 34a_100000210824_100015361967 [0,2,0,0,0,0|1,0,0]=3 4440 B13R1.385 Cc1cc(ccc1C(C)C)OCF 7a_100000210824_100015361967 [0,2,0,0,0,0|1,0,0]=3 4441 B13R1.385 Cc1cc(ccc1N(C)C)NCF 34a_100000738307_100015361967 [0,2,0,0,0,0|2,0,0]=4 4442 B13R1.99 C=C(C)c1ccc(cc1C#N)CO 271570a_100000694244_100010145894 [0,2,0,0,0,0|0,0,2]=4 4443 B13R1.99 C=C(C)c1ccc(cc1OC)CO 271570a_100000694244_100010234685 [0,2,0,0,0,0|0,0,2]=4 4444 B13R1.99 CNc1cc(ccc1C(C)C)OC 2230a_100009963057_200000210301 [0,2,0,0,0,0|2,0,0]=4 4445 B13R1.99 CNc1cc(ccc1C(C)C)OC 34a_100009963057_200000210301 [0,2,0,0,0,0|2,0,0]=4 4446 B13R1.99 CNc1cc(ccc1C(C)C)OC 7a_100009963057_200000210301 [0,2,0,0,0,0|2,0,0]=4 4447 B13R1.99 COc1ccc(c(c1)N[13CH3])C(C)C 2230a_100009963057_200025704644 [0,2,0,0,0,0|2,0,0]=4 4448 B13R1.99 COc1ccc(c(c1)N[13CH3])C(C)C 34a_100009963057_200025704644 [0,2,0,0,0,0|2,0,0]=4 4449 B13R1.99 COc1ccc(c(c1)N[13CH3])C(C)C 7a_100009963057_200025704644 [0,2,0,0,0,0|2,0,0]=4 4450 B13R1.428 C=C(C)c1c(cc(cc1C)CO)C 271570a_100000694244_100012339607 [0,2,0,0,0,0|0,0,2]=4 4451 B11R1.43 CC(=Cc1ccc(o1)CO)C 271570a_100102525489_100000246276 [0,0,1,1,0,0|1,0,1]=4 4452 B11R1.43 CC(=Cc1ccc(s1)CO)C 271570a_100102525489_100000246291 [0,0,1,1,0,0|1,0,1]=4 4453 B11R1.43 CC(=Cc1csc(c1)CO)C 271570a_100102525489_100000238369 [0,0,1,1,0,0|1,0,1]=4 4454 B11R1.43 CC(C)Sc1ccc(o1)CO 62a_100000210206_100000246276 [0,0,1,1,0,0|2,0,0]=4 4455 B11R1.43 CC(C)Sc1ccc(o1)CO 62a_100000246276_100000210206 [0,0,1,1,0,0|2,0,0]=4 4456 B11R1.43 CC(C)Sc1ccc(s1)CO 62a_100000210206_100000246291 [0,0,1,1,0,0|2,0,0]=4 4457 B11R1.43 CC(C)Sc1ccc(s1)CO 62a_100000246291_100000210206 [0,0,1,1,0,0|2,0,0]=4 4458 B11R1.43 CC(C)Sc1csc(c1)CO 62a_100000210206_100000238369 [0,0,1,1,0,0|2,0,0]=4 4459 B11R1.43 CC(C)Sc1csc(c1)CO 62a_100000238369_100000210206 [0,0,1,1,0,0|2,0,0]=4 4460 B11R1.172 CC(C)CC=Cc1ccoc1 271570a_100016259101_100011215275 [0,0,1,1,0,0|0,0,2]=4 4461 B11R1.159 CC(C)c1cccc(c1N)O 271570a_203496583355_100010571509 [0,0,1,1,0,0|1,0,1]=4 4462 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [1,0,0,1,0,0|1,0,1]=4 4463 B11R2.190 CSc1ccc2c(c1)CC2 62a_100009818592_200000210301 [1,0,0,1,0,0|2,0,0]=4 4464 B11R2.190 CSc1ccc2c(c1)CC2 62a_200000210301_100009818592 [1,0,0,1,0,0|2,0,0]=4 4465 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_100009818592_200025704644 [1,0,0,1,0,0|2,0,0]=4 4466 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_200025704644_100009818592 [1,0,0,1,0,0|2,0,0]=4 4467 B11R2.34 Brc1ccc(cc1)C2CC2 271570a_100011220607_100000752885 [1,0,0,1,0,0|1,0,0]=3 4468 B11R2.34 Brc1ccc(cn1)C2CC2 271570a_100011220607_100009814638 [1,0,0,1,0,0|2,0,0]=4 4469 B11R2.34 Brc1ccc(nc1)C2CC2 271570a_100011220607_100000686858 [1,0,0,1,0,0|2,0,0]=4 4470 B11R2.34 Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186775 [1,0,0,1,0,0|0,0,0]=2 4471 B11R2.34 Cc1ccc(cn1)C2CC2 271570a_100011220607_100000751577 [1,0,0,1,0,0|1,0,0]=3 4472 B11R2.34 Cc1ccc(nc1)C2CC2 271570a_100011220607_100000754016 [1,0,0,1,0,0|1,0,0]=3 4473 B11R2.34 Cc1ccc(nn1)C2CC2 271570a_100011220607_100011450037 [1,0,0,1,0,0|2,0,0]=4 4474 B11R2.34 Cc1cnc(cn1)C2CC2 271570a_100011220607_100011999403 [1,0,0,1,0,0|2,0,0]=4 4475 B11R2.34 Cc1cnc(nc1)C2CC2 271570a_100011220607_100011825175 [1,0,0,1,0,0|2,0,0]=4 4476 B11R2.34 Cc1ncc(cn1)C2CC2 271570a_100011220607_100000686985 [1,0,0,1,0,0|2,0,0]=4 4477 B11R2.34 Clc1ccc(cc1)C2CC2 271570a_100011220607_100000755918 [1,0,0,1,0,0|1,0,0]=3 4478 B11R2.34 Clc1ccc(cn1)C2CC2 271570a_100011220607_100000034144 [1,0,0,1,0,0|2,0,0]=4 4479 B11R2.34 Clc1ccc(nc1)C2CC2 271570a_100011220607_100011356976 [1,0,0,1,0,0|2,0,0]=4 4480 B11R2.34 Fc1ccc(cc1)C2CC2 271570a_100011220607_100000211213 [1,0,0,1,0,0|1,0,0]=3 4481 B11R2.34 Fc1ccc(cn1)C2CC2 271570a_100011220607_100000748661 [1,0,0,1,0,0|2,0,0]=4 4482 B11R2.34 Fc1ccc(nc1)C2CC2 271570a_100011220607_100000744514 [1,0,0,1,0,0|2,0,0]=4 4483 B11R2.34 Nc1ccc(cc1)C2CC2 271570a_100011220607_100000185761 [1,0,0,1,0,0|1,0,0]=3 4484 B11R2.34 Nc1ccc(cn1)C2CC2 271570a_100011220607_100000187370 [1,0,0,1,0,0|2,0,0]=4 4485 B11R2.34 Nc1ccc(nc1)C2CC2 271570a_100011220607_100000744251 [1,0,0,1,0,0|2,0,0]=4 4486 B11R2.34 O=c1ccc(c[nH]1)C2CC2 271570a_100011220607_100000212171 [1,0,0,1,0,0|1,0,1]=4 4487 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [1,0,0,1,0,0|0,0,0]=2 4488 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [1,0,0,1,0,0|0,0,0]=2 4489 B11R2.34 Oc1ccc(cn1)C2CC2 271570a_203496583355_200000118129 [1,0,0,1,0,0|1,0,0]=3 4490 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_100011220607_100000685995 [1,0,0,1,0,0|1,0,0]=3 4491 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_203496583355_100009850895 [1,0,0,1,0,0|1,0,0]=3 4492 B11R2.34 Oc1ccc(nn1)C2CC2 271570a_203496583355_100000754422 [1,0,0,1,0,0|2,0,0]=4 4493 B11R2.34 Oc1cnc(cn1)C2CC2 271570a_203496583355_100012002519 [1,0,0,1,0,0|2,0,0]=4 4494 B11R2.34 Oc1cnc(nc1)C2CC2 271570a_100011220607_100000730009 [1,0,0,1,0,0|2,0,0]=4 4495 B11R2.34 Oc1cnc(nc1)C2CC2 271570a_203496583355_100009840968 [1,0,0,1,0,0|2,0,0]=4 4496 B11R2.34 Oc1ncc(cn1)C2CC2 271570a_203496583355_100009869053 [1,0,0,1,0,0|2,0,0]=4 4497 B11R2.34 [O-][n+]1ccc(cc1)C2CC2 271570a_100011220607_100000039755 [1,0,0,1,0,0|1,0,1]=4 4498 B11R2.21 CCc1cc(cs1)C2CC2 271570a_100011220607_100009846239 [0,0,0,1,1,0|2,0,0]=4 4499 B11R2.21 CCc1ccc(s1)C2CC2 271570a_100011220607_100009844052 [0,0,0,1,1,0|2,0,0]=4 4500 B11R2.21 NCc1ccc(o1)C2CC2 271570a_100011220607_100000708654 [0,0,0,1,1,0|2,0,0]=4 4501 B11R2.21 NCc1ccc(s1)C2CC2 271570a_100011220607_100000737305 [0,0,0,1,1,0|2,0,0]=4 4502 B11R2.21 OCc1cc(cs1)C2CC2 271570a_100011220607_100000238369 [0,0,0,1,1,0|1,0,0]=3 4503 B11R2.21 OCc1ccc(o1)C2CC2 271570a_100011220607_100000246276 [0,0,0,1,1,0|1,0,0]=3 4504 B11R2.21 OCc1ccc(s1)C2CC2 271570a_100011220607_100000246291 [0,0,0,1,1,0|1,0,0]=3 4505 B11R2.21 OCc1cnc(s1)C2CC2 271570a_100011220607_100009816753 [0,0,0,1,1,0|2,0,0]=4 4506 B11R2.21 OCc1csc(n1)C2CC2 271570a_100011220607_100009816749 [0,0,0,1,1,0|2,0,0]=4 4507 B11R2.21 OCc1nc(cs1)C2CC2 271570a_100011220607_100012000107 [0,0,0,1,1,0|2,0,0]=4 4508 B11R2.21 OCc1ncc(s1)C2CC2 271570a_100011220607_100000696694 [0,0,0,1,1,0|2,0,0]=4 4509 B13R2.184 C#Cc1ccc(cc1)NC2CC2 34a_100011215031_100000211595 [0,0,0,1,0,1|1,0,1]=4 4510 B13R2.184 C=Cc1ccc(cc1)NC2CC2 34a_100011218248_100000211595 [0,0,0,1,0,1|1,0,1]=4 4511 B13R2.184 C=Cc1ccc(cc1)OC2CC2 271570a_100011290941_100000704264 [0,0,0,1,0,1|1,0,1]=4 4512 B13R2.184 C=Cc1ccc(cc1)OC2CC2 34a_100000189437_100000211595 [0,0,0,1,0,1|1,0,1]=4 4513 B13R2.184 C=Cc1ccc(cc1)SC2CC2 62a_100000748128_100000211595 [0,0,0,1,0,1|1,0,1]=4 4514 B13R2.184 CCc1ccc(cc1)NC2CC2 34a_100000211069_100000211595 [0,0,0,1,0,1|1,0,0]=3 4515 B13R2.184 CCc1ccc(cc1)OC2CC2 34a_100000211359_100000211595 [0,0,0,1,0,1|1,0,0]=3 4516 B13R2.184 CCc1ccc(cc1)SC2CC2 62a_100011215824_100000211595 [0,0,0,1,0,1|1,0,0]=3 4517 B13R2.184 CCc1ccc(cn1)SC2CC2 62a_100009820025_100000211595 [0,0,0,1,0,1|2,0,0]=4 4518 B13R2.184 CCc1ccc(nc1)SC2CC2 62a_100009843584_100000211595 [0,0,0,1,0,1|2,0,0]=4 4519 B13R2.184 CNc1ccc(cc1)OC2CC2 34a_100000182112_100000211595 [0,0,0,1,0,1|2,0,0]=4 4520 B13R2.184 CNc1ccc(cc1)SC2CC2 62a_100000743151_100000211595 [0,0,0,1,0,1|2,0,0]=4 4521 B13R2.184 COc1ccc(cc1)NC2CC2 34a_100000184247_100000211595 [0,0,0,1,0,1|2,0,0]=4 4522 B13R2.184 COc1ccc(cc1)OC2CC2 34a_100000210503_100000211595 [0,0,0,1,0,1|2,0,0]=4 4523 B13R2.184 CSc1ccc(cc1)NC2CC2 34a_100000212337_100000211595 [0,0,0,1,0,1|2,0,0]=4 4524 B13R2.184 CSc1ccc(cc1)OC2CC2 34a_100000211864_100000211595 [0,0,0,1,0,1|2,0,0]=4 4525 B13R2.184 CSc1ccc(cc1)OC2CC2 62a_100000704264_200000210301 [0,0,0,1,0,1|2,0,0]=4 4526 B13R2.184 CSc1ccc(cc1)OC2CC2 62a_200000210301_100000704264 [0,0,0,1,0,1|2,0,0]=4 4527 B13R2.184 CSc1ccc(cc1)SC2CC2 62a_100011263217_100000211595 [0,0,0,1,0,1|2,0,0]=4 4528 B13R2.184 FCc1ccc(cc1)SC2CC2 62a_100010268989_100000211595 [0,0,0,1,0,1|1,0,0]=3 4529 B13R2.184 N#Cc1ccc(cc1)NC2CC2 34a_100000185469_100000211595 [0,0,0,1,0,1|1,0,1]=4 4530 B13R2.184 N#Cc1ccc(cc1)OC2CC2 34a_100000210344_100000211595 [0,0,0,1,0,1|1,0,1]=4 4531 B13R2.184 NCc1ccc(cc1)OC2CC2 34a_100000185549_100000211595 [0,0,0,1,0,1|1,0,0]=3 4532 B13R2.184 NCc1ccc(cc1)SC2CC2 62a_100016989417_100000211595 [0,0,0,1,0,1|1,0,0]=3 4533 B13R2.184 NCc1ccc(cn1)OC2CC2 34a_100020605196_100000211595 [0,0,0,1,0,1|2,0,0]=4 4534 B13R2.184 NCc1ccc(cn1)SC2CC2 62a_100015188789_100000211595 [0,0,0,1,0,1|2,0,0]=4 4535 B13R2.184 NCc1ccc(nc1)OC2CC2 34a_100000757128_100000211595 [0,0,0,1,0,1|2,0,0]=4 4536 B13R2.184 NCc1ccc(nc1)SC2CC2 62a_100000735879_100000211595 [0,0,0,1,0,1|2,0,0]=4 4537 B13R2.184 NNc1ccc(cc1)SC2CC2 62a_100016988836_100000211595 [0,0,0,1,0,1|2,0,0]=4 4538 B13R2.184 O=Cc1ccc(cc1)SC2CC2 62a_100000188517_100000211595 [0,0,0,1,0,1|0,0,2]=4 4539 B13R2.184 OCc1ccc(cc1)NC2CC2 34a_100011215238_100000211595 [0,0,0,1,0,1|0,0,0]=2 4540 B13R2.184 OCc1ccc(cc1)OC2CC2 34a_100000211755_100000211595 [0,0,0,1,0,1|0,0,0]=2 4541 B13R2.184 OCc1ccc(cc1)SC2CC2 62a_100000690907_100000211595 [0,0,0,1,0,1|0,0,0]=2 4542 B13R2.184 OCc1ccc(cn1)OC2CC2 34a_103436540053_100000211595 [0,0,0,1,0,1|1,0,0]=3 4543 B13R2.184 OCc1ccc(cn1)SC2CC2 62a_100000754261_100000211595 [0,0,0,1,0,1|1,0,0]=3 4544 B13R2.184 OCc1ccc(nc1)SC2CC2 62a_100009816760_100000211595 [0,0,0,1,0,1|1,0,0]=3 4545 B13R2.184 OCc1cnc(cn1)NC2CC2 27a_100000212008_100012002382 [0,0,0,1,0,1|2,0,0]=4 4546 B13R2.184 OCc1cnc(cn1)SC2CC2 62a_100012002382_100000211595 [0,0,0,1,0,1|2,0,0]=4 4547 B13R2.184 OCc1cnc(nc1)NC2CC2 27a_100000212008_100009855073 [0,0,0,1,0,1|2,0,0]=4 4548 B13R2.184 OCc1cnc(nc1)SC2CC2 62a_100009855073_100000211595 [0,0,0,1,0,1|2,0,0]=4 4549 B13R2.184 OCc1ncc(cn1)SC2CC2 62a_100009867226_100000211595 [0,0,0,1,0,1|2,0,0]=4 4550 B13R2.184 [13CH3]Sc1ccc(cc1)OC2CC2 62a_100000704264_200025704644 [0,0,0,1,0,1|2,0,0]=4 4551 B13R2.184 [13CH3]Sc1ccc(cc1)OC2CC2 62a_200025704644_100000704264 [0,0,0,1,0,1|2,0,0]=4 4552 B13R2.1279 CC(=Cc1ccc2c(c1)CC2)C 271570a_100102525489_100009818592 [0,0,0,1,0,1|1,0,1]=4 4553 B13R2.1279 CC(C)Sc1ccc2c(c1)CC2 62a_100000210206_100009818592 [0,0,0,1,0,1|1,0,0]=3 4554 B13R2.1279 CC(C)Sc1ccc2c(c1)CC2 62a_100009818592_100000210206 [0,0,0,1,0,1|1,0,0]=3 4555 B13R2.1279 CN(C)Cc1ccc2c(c1)CC2 270004a_100102631434_100010273998 [0,0,0,1,0,1|2,0,0]=4 4556 B13R2.2121 CC1Cc2cc(ccc2O1)N[13CH3] 2230a_100102713350_200025704644 [0,0,0,1,0,1|2,0,0]=4 4557 B13R2.2121 CC1Cc2cc(ccc2O1)N[13CH3] 34a_100102713350_200025704644 [0,0,0,1,0,1|2,0,0]=4 4558 B13R2.2121 CNc1ccc2c(c1)CC(O2)C 2230a_100102713350_200000210301 [0,0,0,1,0,1|2,0,0]=4 4559 B13R2.2121 CNc1ccc2c(c1)CC(O2)C 34a_100102713350_200000210301 [0,0,0,1,0,1|2,0,0]=4 4560 B13R2.185 C=Cc1ccc(cc1)C2CCC2 271570a_100011290941_200010114027 [0,1,0,1,0,0|1,0,1]=4 4561 B13R2.185 C=Cc1ccc(cc1)C2COC2 271570a_100011290941_100010732642 [0,1,0,1,0,0|1,0,1]=4 4562 B13R2.185 CSc1ccc(cc1)C2CCC2 62a_200000210301_200010114027 [0,1,0,1,0,0|2,0,0]=4 4563 B13R2.185 CSc1ccc(cc1)C2CCC2 62a_200010114027_200000210301 [0,1,0,1,0,0|2,0,0]=4 4564 B13R2.185 CSc1ccc(cc1)C2COC2 62a_200000210301_100010732642 [0,1,0,1,0,0|2,0,0]=4 4565 B13R2.185 [13CH3]Sc1ccc(cc1)C2CCC2 62a_200010114027_200025704644 [0,1,0,1,0,0|2,0,0]=4 4566 B13R2.185 [13CH3]Sc1ccc(cc1)C2CCC2 62a_200025704644_200010114027 [0,1,0,1,0,0|2,0,0]=4 4567 B13R2.185 [13CH3]Sc1ccc(cc1)C2COC2 62a_200025704644_100010732642 [0,1,0,1,0,0|2,0,0]=4 4568 B13R2.186 C=Cc1ccc(cc1)C2(CC2)N 271570a_100011290941_100000742681 [0,1,0,1,0,0|1,0,1]=4 4569 B13R2.186 CSc1ccc(cc1)C2(CC2)N 62a_100000742681_200000210301 [0,1,0,1,0,0|2,0,0]=4 4570 B13R2.186 CSc1ccc(cc1)C2(CC2)N 62a_200000210301_100000742681 [0,1,0,1,0,0|2,0,0]=4 4571 B13R2.186 [13CH3]Sc1ccc(cc1)C2(CC2)N 62a_100000742681_200025704644 [0,1,0,1,0,0|2,0,0]=4 4572 B13R2.186 [13CH3]Sc1ccc(cc1)C2(CC2)N 62a_200025704644_100000742681 [0,1,0,1,0,0|2,0,0]=4 4573 B13R2.430 C=C(C)c1ccc2c(c1)COC2 271570a_100000694244_100000698232 [0,1,0,1,0,0|0,0,2]=4 4574 B13R2.430 C=C(C)c1ccc2c(c1)OCC2 271570a_100000694244_100009818566 [0,1,0,1,0,0|0,0,2]=4 4575 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [0,1,0,1,0,0|0,0,2]=4 4576 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,1,0,1,0,0|1,0,1]=4 4577 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,1,0,1,0,0|1,0,1]=4 4578 B13R2.2396 C=Cc1ccc(cc1F)C2CC2 271570a_100011290941_100010281179 [0,1,0,1,0,0|1,0,1]=4 4579 B13R2.2396 CCc1ccc(cc1F)C2CC2 271570a_100011220607_200010071577 [0,1,0,1,0,0|1,0,0]=3 4580 B13R2.2396 CCc1ccc(cc1N)C2CC2 271570a_100011220607_100012354963 [0,1,0,1,0,0|1,0,0]=3 4581 B13R2.2396 CNc1ccc(cc1C)C2CC2 271570a_100011220607_100000221803 [0,1,0,1,0,0|2,0,0]=4 4582 B13R2.2396 CNc1ccc(cc1F)C2CC2 271570a_100011220607_100000743884 [0,1,0,1,0,0|2,0,0]=4 4583 B13R2.2396 CNc1ccc(cc1F)C2CC2 34a_200011279746_200000210301 [0,1,0,1,0,0|2,0,0]=4 4584 B13R2.2396 CNc1ccc(cc1F)C2CC2 7a_200011279746_200000210301 [0,1,0,1,0,0|2,0,0]=4 4585 B13R2.2396 CNc1ccc(cc1N)C2CC2 271570a_100011220607_100000741790 [0,1,0,1,0,0|2,0,0]=4 4586 B13R2.2396 COc1ccc(cc1Br)C2CC2 271570a_100011220607_100011249507 [0,1,0,1,0,0|2,0,0]=4 4587 B13R2.2396 COc1ccc(cc1Br)C2CC2 34a_100135415898_200000210301 [0,1,0,1,0,0|2,0,0]=4 4588 B13R2.2396 COc1ccc(cc1Br)C2CC2 7a_100135415898_200000210301 [0,1,0,1,0,0|2,0,0]=4 4589 B13R2.2396 COc1ccc(cc1C)C2CC2 271570a_100011220607_100011219705 [0,1,0,1,0,0|2,0,0]=4 4590 B13R2.2396 COc1ccc(cc1Cl)C2CC2 271570a_100011220607_100012355395 [0,1,0,1,0,0|2,0,0]=4 4591 B13R2.2396 COc1ccc(cc1F)C2CC2 271570a_100011220607_100000185480 [0,1,0,1,0,0|2,0,0]=4 4592 B13R2.2396 COc1ccc(cc1F)C2CC2 34a_100013172525_200000210301 [0,1,0,1,0,0|2,0,0]=4 4593 B13R2.2396 COc1ccc(cc1F)C2CC2 7a_100013172525_200000210301 [0,1,0,1,0,0|2,0,0]=4 4594 B13R2.2396 COc1ccc(cc1N)C2CC2 271570a_100011220607_100000743470 [0,1,0,1,0,0|2,0,0]=4 4595 B13R2.2396 COc1ccc(cc1O)C2CC2 271570a_100011220607_100009816560 [0,1,0,1,0,0|2,0,0]=4 4596 B13R2.2396 CSc1ccc(cc1Cl)C2CC2 271570a_100011220607_206447510565 [0,1,0,1,0,0|2,0,0]=4 4597 B13R2.2396 CSc1ccc(cc1F)C2CC2 271570a_100011220607_100010161220 [0,1,0,1,0,0|2,0,0]=4 4598 B13R2.2396 CSc1ccc(cc1F)C2CC2 62a_100010281179_200000210301 [0,1,0,1,0,0|2,0,0]=4 4599 B13R2.2396 CSc1ccc(cc1F)C2CC2 62a_200000210301_100010281179 [0,1,0,1,0,0|2,0,0]=4 4600 B13R2.2396 Cc1cc(ccc1C#N)C2CC2 271570a_100011220607_100000687762 [0,1,0,1,0,0|1,0,1]=4 4601 B13R2.2396 Cc1cc(ccc1C=O)C2CC2 271570a_100011220607_100000687586 [0,1,0,1,0,0|0,0,2]=4 4602 B13R2.2396 Cc1cc(ccc1CF)C2CC2 271570a_100011220607_200010711859 [0,1,0,1,0,0|1,0,0]=3 4603 B13R2.2396 Cc1cc(ccc1CN)C2CC2 271570a_100011220607_100000753881 [0,1,0,1,0,0|1,0,0]=3 4604 B13R2.2396 Cc1cc(ccc1CO)C2CC2 271570a_100011220607_100000748258 [0,1,0,1,0,0|0,0,0]=2 4605 B13R2.2396 Cc1cc(ccc1NN)C2CC2 271570a_100011220607_100000751375 [0,1,0,1,0,0|2,0,0]=4 4606 B13R2.2396 Cc1cc(cnc1CO)C2CC2 271570a_100011220607_100010116297 [0,1,0,1,0,0|1,0,0]=3 4607 B13R2.2396 Cc1cc(ncc1CO)C2CC2 271570a_100011220607_100010277336 [0,1,0,1,0,0|1,0,0]=3 4608 B13R2.2396 N#Cc1ccc(cc1Br)C2CC2 271570a_100011220607_100012349582 [0,1,0,1,0,0|1,0,1]=4 4609 B13R2.2396 N#Cc1ccc(cc1Cl)C2CC2 271570a_100011220607_100012349662 [0,1,0,1,0,0|1,0,1]=4 4610 B13R2.2396 N#Cc1ccc(cc1F)C2CC2 271570a_100011220607_100000037869 [0,1,0,1,0,0|1,0,1]=4 4611 B13R2.2396 N#Cc1ccc(cc1N)C2CC2 271570a_100011220607_100000699244 [0,1,0,1,0,0|1,0,1]=4 4612 B13R2.2396 N#Cc1ccc(cc1O)C2CC2 271570a_100011220607_100011934713 [0,1,0,1,0,0|1,0,1]=4 4613 B13R2.2396 NCc1ccc(cc1F)C2CC2 271570a_100011220607_100000754580 [0,1,0,1,0,0|1,0,0]=3 4614 B13R2.2396 NCc1ncc(cc1F)C2CC2 271570a_100011220607_100015188786 [0,1,0,1,0,0|2,0,0]=4 4615 B13R2.2396 NNc1ccc(cc1F)C2CC2 271570a_100011220607_100000751572 [0,1,0,1,0,0|2,0,0]=4 4616 B13R2.2396 Nc1cc(ccc1C=O)C2CC2 271570a_100011220607_100009814810 [0,1,0,1,0,0|0,0,2]=4 4617 B13R2.2396 Nc1cc(ccc1CO)C2CC2 271570a_100011220607_100000718831 [0,1,0,1,0,0|0,0,0]=2 4618 B13R2.2396 Nc1cc(ncc1CO)C2CC2 271570a_100011220607_100009830438 [0,1,0,1,0,0|1,0,0]=3 4619 B13R2.2396 Nc1nc(ncc1CO)C2CC2 271570a_100011220607_200009965464 [0,1,0,1,0,0|2,0,0]=4 4620 B13R2.2396 O=Cc1ccc(cc1Br)C2CC2 271570a_100011220607_100010185650 [0,1,0,1,0,0|0,0,2]=4 4621 B13R2.2396 O=Cc1ccc(cc1Cl)C2CC2 271570a_100011220607_100000727542 [0,1,0,1,0,0|0,0,2]=4 4622 B13R2.2396 O=Cc1ccc(cc1F)C2CC2 271570a_100011220607_100000211676 [0,1,0,1,0,0|0,0,2]=4 4623 B13R2.2396 O=Cc1ccc(cc1O)C2CC2 271570a_100011220607_100011277552 [0,1,0,1,0,0|0,0,2]=4 4624 B13R2.2396 OCc1ccc(cc1Br)C2CC2 271570a_100011220607_100010240206 [0,1,0,1,0,0|0,0,0]=2 4625 B13R2.2396 OCc1ccc(cc1F)C2CC2 271570a_100011220607_100011191541 [0,1,0,1,0,0|0,0,0]=2 4626 B13R2.2396 OCc1ccc(cc1O)C2CC2 271570a_100011220607_100000071718 [0,1,0,1,0,0|0,0,0]=2 4627 B13R2.2396 OCc1ccc(nc1F)C2CC2 271570a_100011220607_100009870654 [0,1,0,1,0,0|1,0,0]=3 4628 B13R2.2396 OCc1ncc(cc1F)C2CC2 271570a_100011220607_100010065252 [0,1,0,1,0,0|1,0,0]=3 4629 B13R2.2396 [13CH3]Nc1ccc(cc1F)C2CC2 34a_200011279746_200025704644 [0,1,0,1,0,0|2,0,0]=4 4630 B13R2.2396 [13CH3]Nc1ccc(cc1F)C2CC2 7a_200011279746_200025704644 [0,1,0,1,0,0|2,0,0]=4 4631 B13R2.2396 [13CH3]Oc1ccc(cc1Br)C2CC2 34a_100135415898_200025704644 [0,1,0,1,0,0|2,0,0]=4 4632 B13R2.2396 [13CH3]Oc1ccc(cc1Br)C2CC2 7a_100135415898_200025704644 [0,1,0,1,0,0|2,0,0]=4 4633 B13R2.2396 [13CH3]Oc1ccc(cc1F)C2CC2 34a_100013172525_200025704644 [0,1,0,1,0,0|2,0,0]=4 4634 B13R2.2396 [13CH3]Oc1ccc(cc1F)C2CC2 7a_100013172525_200025704644 [0,1,0,1,0,0|2,0,0]=4 4635 B13R2.2396 [13CH3]Sc1ccc(cc1F)C2CC2 62a_100010281179_200025704644 [0,1,0,1,0,0|2,0,0]=4 4636 B13R2.2396 [13CH3]Sc1ccc(cc1F)C2CC2 62a_200025704644_100010281179 [0,1,0,1,0,0|2,0,0]=4 4637 B13R2.60 Br/C=C/c1ccc(cc1)C2CC2 271570a_100011220607_200016255901 [0,1,0,1,0,0|1,0,1]=4 4638 B13R2.60 C/C=C/c1ccc(cc1)C2CC2 271570a_100011220607_100016259036 [0,1,0,1,0,0|1,0,1]=4 4639 B13R2.60 C=C=Cc1ccc(cc1)C2CC2 271570a_100015277604_100009820665 [0,1,0,1,0,0|1,0,1]=4 4640 B13R2.60 CC=Cc1ccc(cc1)C2CC2 271570a_100016259895_100009820665 [0,1,0,1,0,0|1,0,1]=4 4641 B13R2.60 CCCc1ccc(cc1)C2CC2 271570a_100011220607_100000750032 [0,1,0,1,0,0|1,0,0]=3 4642 B13R2.60 CCNc1ccc(cc1)C2CC2 271570a_100011220607_100000219632 [0,1,0,1,0,0|1,0,0]=3 4643 B13R2.60 CCNc1ccc(cc1)C2CC2 34a_100016991203_100000210202 [0,1,0,1,0,0|1,0,0]=3 4644 B13R2.60 CCNc1ccc(cn1)C2CC2 271570a_100011220607_100000741496 [0,1,0,1,0,0|2,0,0]=4 4645 B13R2.60 CCOc1ccc(cc1)C2CC2 271570a_100011220607_100000169946 [0,1,0,1,0,0|1,0,0]=3 4646 B13R2.60 CCOc1ccc(cc1)C2CC2 34a_100011997980_100000210202 [0,1,0,1,0,0|1,0,0]=3 4647 B13R2.60 CCOc1ccc(cc1)C2CC2 7a_100011997980_100000210202 [0,1,0,1,0,0|1,0,0]=3 4648 B13R2.60 CCOc1ccc(cn1)C2CC2 271570a_100011220607_100011219444 [0,1,0,1,0,0|2,0,0]=4 4649 B13R2.60 CCOc1ccc(nc1)C2CC2 271570a_100011220607_100000753957 [0,1,0,1,0,0|2,0,0]=4 4650 B13R2.60 CCSc1ccc(cc1)C2CC2 271570a_100011220607_200009811893 [0,1,0,1,0,0|1,0,0]=3 4651 B13R2.60 CCSc1ccc(cc1)C2CC2 62a_100000210202_100009820665 [0,1,0,1,0,0|1,0,0]=3 4652 B13R2.60 CCSc1ccc(cn1)C2CC2 271570a_100011220607_100000690189 [0,1,0,1,0,0|2,0,0]=4 4653 B13R2.60 CCSc1ccc(cn1)C2CC2 62a_100000210202_200000118129 [0,1,0,1,0,0|2,0,0]=4 4654 B13R2.60 CCSc1ccc(nc1)C2CC2 62a_100000210202_100009850895 [0,1,0,1,0,0|2,0,0]=4 4655 B13R2.60 CCSc1ccc(nc1)C2CC2 62a_100009850895_100000210202 [0,1,0,1,0,0|2,0,0]=4 4656 B13R2.60 CNCc1ccc(cc1)C2CC2 207a_100102657272_100011263248 [0,1,0,1,0,0|1,0,0]=3 4657 B13R2.60 CNCc1ccc(cc1)C2CC2 2230a_100025706670_200000210301 [0,1,0,1,0,0|1,0,0]=3 4658 B13R2.60 CNCc1ccc(cc1)C2CC2 26a_100102657272_100011997980 [0,1,0,1,0,0|1,0,0]=3 4659 B13R2.60 CNCc1ccc(cc1)C2CC2 270004a_106832991635_100011263248 [0,1,0,1,0,0|1,0,0]=3 4660 B13R2.60 CNCc1ccc(cc1)C2CC2 271570a_100011220607_100000180866 [0,1,0,1,0,0|1,0,0]=3 4661 B13R2.60 CNCc1ccc(cc1)C2CC2 34a_100025706670_200000210301 [0,1,0,1,0,0|1,0,0]=3 4662 B13R2.60 CNCc1ccc(nc1)C2CC2 271570a_100011220607_100000026953 [0,1,0,1,0,0|2,0,0]=4 4663 B13R2.60 COCc1ccc(cc1)C2CC2 271570a_100011220607_100011493685 [0,1,0,1,0,0|0,0,0]=2 4664 B13R2.60 COCc1ccc(cc1)C2CC2 34a_100011258775_200000210301 [0,1,0,1,0,0|0,0,0]=2 4665 B13R2.60 COCc1ccc(cc1)C2CC2 7a_100011258775_200000210301 [0,1,0,1,0,0|0,0,0]=2 4666 B13R2.60 CSCc1ccc(nc1)C2CC2 271570a_100011220607_100000753673 [0,1,0,1,0,0|1,1,0]=4 4667 B13R2.60 FCNc1ccc(cc1)C2CC2 34a_100016991203_100015361967 [0,1,0,1,0,0|1,0,0]=3 4668 B13R2.60 FCOc1ccc(cc1)C2CC2 34a_100011997980_100015361967 [0,1,0,1,0,0|1,0,0]=3 4669 B13R2.60 FCOc1ccc(cc1)C2CC2 7a_100011997980_100015361967 [0,1,0,1,0,0|1,0,0]=3 4670 B13R2.60 FCSc1ccc(cc1)C2CC2 62a_100015361967_100009820665 [0,1,0,1,0,0|1,0,0]=3 4671 B13R2.60 FCSc1ccc(cn1)C2CC2 62a_100015361967_200000118129 [0,1,0,1,0,0|2,0,0]=4 4672 B13R2.60 FCSc1ccc(nc1)C2CC2 62a_100009850895_100015361967 [0,1,0,1,0,0|2,0,0]=4 4673 B13R2.60 FCSc1ccc(nc1)C2CC2 62a_100015361967_100009850895 [0,1,0,1,0,0|2,0,0]=4 4674 B13R2.60 N#CCc1ccc(cc1)C2CC2 271570a_100011220607_100011217881 [0,1,0,1,0,0|1,0,0]=3 4675 B13R2.60 N#CCc1ccc(cn1)C2CC2 271570a_100011220607_100011824422 [0,1,0,1,0,0|2,0,0]=4 4676 B13R2.60 N#CCc1ccc(nc1)C2CC2 271570a_100011220607_100000703598 [0,1,0,1,0,0|2,0,0]=4 4677 B13R2.60 N#CNc1ccc(cc1)C2CC2 271570a_100011220607_100011685341 [0,1,0,1,0,0|1,0,1]=4 4678 B13R2.60 NCCc1ccc(cc1)C2CC2 271570a_100011220607_100000755846 [0,1,0,1,0,0|1,0,0]=3 4679 B13R2.60 NNCc1ccc(cc1)C2CC2 271570a_100011220607_100016993955 [0,1,0,1,0,0|1,0,0]=3 4680 B13R2.60 NNCc1ccc(nc1)C2CC2 271570a_100011220607_106726394036 [0,1,0,1,0,0|2,0,0]=4 4681 B13R2.60 O=CCc1ccc(cc1)C2CC2 271570a_100011220607_100011361690 [0,1,0,1,0,0|0,0,1]=3 4682 B13R2.60 OCCc1ccc(cc1)C2CC2 271570a_100011220607_100000766406 [0,1,0,1,0,0|0,0,0]=2 4683 B13R2.60 OCCc1ccc(cn1)C2CC2 271570a_100011220607_100012357577 [0,1,0,1,0,0|1,0,0]=3 4684 B13R2.60 OCCc1ccc(nc1)C2CC2 271570a_100011220607_100009880866 [0,1,0,1,0,0|1,0,0]=3 4685 B13R2.60 [13CH3]NCc1ccc(cc1)C2CC2 2230a_100025706670_200025704644 [0,1,0,1,0,0|1,0,0]=3 4686 B13R2.60 [13CH3]NCc1ccc(cc1)C2CC2 34a_100025706670_200025704644 [0,1,0,1,0,0|1,0,0]=3 4687 B13R2.60 [13CH3]OCc1ccc(cc1)C2CC2 34a_100011258775_200025704644 [0,1,0,1,0,0|0,0,0]=2 4688 B13R2.60 [13CH3]OCc1ccc(cc1)C2CC2 7a_100011258775_200025704644 [0,1,0,1,0,0|0,0,0]=2 4689 B13R2.60 [N-]=[N+]=Nc1ccc(cc1)C2CC2 271570a_100011220607_100000735661 [0,1,0,1,0,0|2,0,0]=4 4690 B13R2.428 C=C(C)c1ccc(cc1)C2CC2 271570a_100000694244_100009820665 [0,1,0,1,0,0|1,0,1]=4 4691 B13R2.428 C=C(C)c1ccc(cc1)C2CC2 271570a_100011220607_100000185454 [0,1,0,1,0,0|1,0,1]=4 4692 B13R2.428 CC(=O)c1ccc(cc1)C2CC2 1458a_100011688853_200000210301 [0,1,0,1,0,0|0,0,2]=4 4693 B13R2.428 CC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000185465 [0,1,0,1,0,0|0,0,2]=4 4694 B13R2.428 CC(C)c1ccc(cc1)C2CC2 271570a_100011220607_100000750031 [0,1,0,1,0,0|1,0,0]=3 4695 B13R2.428 CC(C)c1ccc(cn1)C2CC2 271570a_100011220607_100010255768 [0,1,0,1,0,0|2,0,0]=4 4696 B13R2.428 CC(C)c1ccc(nc1)C2CC2 271570a_100011220607_200009815286 [0,1,0,1,0,0|2,0,0]=4 4697 B13R2.428 CC(N)c1ccc(cn1)C2CC2 271570a_100011220607_100000723930 [0,1,0,1,0,0|2,0,0]=4 4698 B13R2.428 CC(O)c1ccc(cc1)C2CC2 271570a_100011220607_100000745893 [0,1,0,1,0,0|0,0,0]=2 4699 B13R2.428 CC(O)c1ccc(cn1)C2CC2 271570a_100011220607_100012353650 [0,1,0,1,0,0|1,0,0]=3 4700 B13R2.428 CC(O)c1ccc(nc1)C2CC2 271570a_100011220607_200010274204 [0,1,0,1,0,0|1,0,0]=3 4701 B13R2.428 CN(C)c1ccc(cc1)C2CC2 271570a_100011220607_100000210421 [0,1,0,1,0,0|2,0,0]=4 4702 B13R2.428 CS(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100009816266 [0,1,0,1,0,0|1,0,1]=4 4703 B13R2.428 C[C@@H](N)c1ccc(cc1)C2CC2 271570a_100011220607_100000720352 [0,1,0,1,0,0|1,0,0]=3 4704 B13R2.428 C[C@H](N)c1ccc(cc1)C2CC2 271570a_100011220607_100000753911 [0,1,0,1,0,0|1,0,0]=3 4705 B13R2.428 C[C@H](N)c1ccc(nc1)C2CC2 271570a_100011220607_100015387476 [0,1,0,1,0,0|2,0,0]=4 4706 B13R2.428 FC(F)c1ccc(cc1)C2CC2 271570a_100011220607_100010189923 [0,1,0,1,0,0|1,0,0]=3 4707 B13R2.428 FC(F)c1ccc(cn1)C2CC2 271570a_100011220607_100010253924 [0,1,0,1,0,0|2,0,0]=4 4708 B13R2.428 FC(F)c1ccc(nc1)C2CC2 271570a_100011220607_100000720607 [0,1,0,1,0,0|2,0,0]=4 4709 B13R2.428 NC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000162191 [0,1,0,1,0,0|0,0,2]=4 4710 B13R2.428 OB(O)c1ccc(cc1)C2CC2 271570a_100011220607_100000754493 [0,1,0,1,0,0|1,0,0]=3 4711 B13R2.428 OB(O)c1ccc(cn1)C2CC2 271570a_100011220607_200010198023 [0,1,0,1,0,0|2,0,0]=4 4712 B13R2.428 OB(O)c1ccc(nc1)C2CC2 271570a_100011220607_100000688115 [0,1,0,1,0,0|2,0,0]=4 4713 B13R2.428 [13CH3]C(=O)c1ccc(cc1)C2CC2 1458a_100011688853_200025704644 [0,1,0,1,0,0|0,0,2]=4 4714 B13R2.2170 CCc1ccc(c(c1)Br)C2CC2 271570a_100011220607_200009997437 [0,1,0,1,0,0|1,0,0]=3 4715 B13R2.2170 CCc1ccc(c(c1)F)C2CC2 271570a_100011220607_200010339503 [0,1,0,1,0,0|1,0,0]=3 4716 B13R2.2170 CNc1ccc(c(c1)C)C2CC2 271570a_100011220607_100102888905 [0,1,0,1,0,0|2,0,0]=4 4717 B13R2.2170 CNc1ccc(c(c1)F)C2CC2 271570a_100011220607_100012285320 [0,1,0,1,0,0|2,0,0]=4 4718 B13R2.2170 COc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100012349170 [0,1,0,1,0,0|2,0,0]=4 4719 B13R2.2170 COc1ccc(c(c1)C)C2CC2 271570a_100011220607_100000759875 [0,1,0,1,0,0|2,0,0]=4 4720 B13R2.2170 COc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000753793 [0,1,0,1,0,0|2,0,0]=4 4721 B13R2.2170 COc1ccc(c(c1)N)C2CC2 271570a_100011220607_100000748021 [0,1,0,1,0,0|2,0,0]=4 4722 B13R2.2170 COc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000719091 [0,1,0,1,0,0|2,0,0]=4 4723 B13R2.2170 CSc1ccc(c(c1)F)C2CC2 271570a_100011220607_100009816902 [0,1,0,1,0,0|2,0,0]=4 4724 B13R2.2170 Cc1cc(ccc1C2CC2)C#N 271570a_100011220607_100000212329 [0,1,0,1,0,0|1,0,1]=4 4725 B13R2.2170 Cc1cc(ccc1C2CC2)C=O 271570a_100011220607_100000765772 [0,1,0,1,0,0|0,0,2]=4 4726 B13R2.2170 Cc1cc(ccc1C2CC2)CN 271570a_100011220607_100015205234 [0,1,0,1,0,0|1,0,0]=3 4727 B13R2.2170 Cc1cc(ccc1C2CC2)CO 271570a_100011220607_100000718852 [0,1,0,1,0,0|0,0,0]=2 4728 B13R2.2170 Cc1cc(ccc1C2CC2)NN 271570a_100011220607_100000745493 [0,1,0,1,0,0|2,0,0]=4 4729 B13R2.2170 Cc1cc(cnc1C2CC2)CO 271570a_100011220607_200000092119 [0,1,0,1,0,0|1,0,0]=3 4730 B13R2.2170 Cc1cc(ncc1C2CC2)CO 271570a_100011220607_200010713146 [0,1,0,1,0,0|1,0,0]=3 4731 B13R2.2170 Cc1nc(ccc1C2CC2)CO 271570a_100011220607_100010114280 [0,1,0,1,0,0|1,0,0]=3 4732 B13R2.2170 N#Cc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100012356348 [0,1,0,1,0,0|1,0,1]=4 4733 B13R2.2170 N#Cc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100012349663 [0,1,0,1,0,0|1,0,1]=4 4734 B13R2.2170 N#Cc1ccc(c(c1)F)C2CC2 271570a_100011220607_100011794375 [0,1,0,1,0,0|1,0,1]=4 4735 B13R2.2170 N#Cc1ccc(c(c1)N)C2CC2 271570a_100011220607_100012001879 [0,1,0,1,0,0|1,0,1]=4 4736 B13R2.2170 N#Cc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000724445 [0,1,0,1,0,0|1,0,1]=4 4737 B13R2.2170 NCc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000755036 [0,1,0,1,0,0|1,0,0]=3 4738 B13R2.2170 NNc1ccc(c(c1)F)C2CC2 271570a_100011220607_100016992936 [0,1,0,1,0,0|2,0,0]=4 4739 B13R2.2170 Nc1cc(ccc1C2CC2)CO 271570a_100011220607_100012347568 [0,1,0,1,0,0|0,0,0]=2 4740 B13R2.2170 O=Cc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000686674 [0,1,0,1,0,0|0,0,2]=4 4741 B13R2.2170 O=Cc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000041418 [0,1,0,1,0,0|0,0,2]=4 4742 B13R2.2170 OCc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100000718186 [0,1,0,1,0,0|0,0,0]=2 4743 B13R2.2170 OCc1ccc(c(c1)F)C2CC2 271570a_100011220607_100011533735 [0,1,0,1,0,0|0,0,0]=2 4744 B13R2.2170 OCc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000049605 [0,1,0,1,0,0|0,0,0]=2 4745 B13R2.2170 OCc1cnc(c(c1)F)C2CC2 271570a_100011220607_100010065243 [0,1,0,1,0,0|1,0,0]=3 4746 B13R3.56 c1cc2c(cc1C3CC3)CC2 271570a_100011220607_100009818592 [0,0,0,2,0,0|1,0,0]=3 4747 B9R1.21 CSc1ccc(o1)CO 62a_100000246276_200000210301 [1,0,0,0,1,0|2,0,0]=4 4748 B9R1.21 CSc1ccc(o1)CO 62a_200000210301_100000246276 [1,0,0,0,1,0|2,0,0]=4 4749 B9R1.21 CSc1ccc(s1)CO 62a_100000246291_200000210301 [1,0,0,0,1,0|2,0,0]=4 4750 B9R1.21 CSc1ccc(s1)CO 62a_200000210301_100000246291 [1,0,0,0,1,0|2,0,0]=4 4751 B9R1.21 CSc1csc(c1)CO 62a_100000238369_200000210301 [1,0,0,0,1,0|2,0,0]=4 4752 B9R1.21 CSc1csc(c1)CO 62a_200000210301_100000238369 [1,0,0,0,1,0|2,0,0]=4 4753 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_100000246276_200025704644 [1,0,0,0,1,0|2,0,0]=4 4754 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_200025704644_100000246276 [1,0,0,0,1,0|2,0,0]=4 4755 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_100000246291_200025704644 [1,0,0,0,1,0|2,0,0]=4 4756 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_200025704644_100000246291 [1,0,0,0,1,0|2,0,0]=4 4757 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_100000238369_200025704644 [1,0,0,0,1,0|2,0,0]=4 4758 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_200025704644_100000238369 [1,0,0,0,1,0|2,0,0]=4 4759 B9R1.35 CC(C)c1cnc(s1)O 271570a_203496583355_100000697854 [1,0,0,0,1,0|2,0,0]=4 4760 B9R1.35 CC(C)c1nc(cs1)O 271570a_203496583355_200011934575 [1,0,0,0,1,0|2,0,0]=4 4761 B9R1.35 CC(C)n1cc(cn1)O 271570a_203496583355_100012073297 [1,0,0,0,1,0|2,0,0]=4 4762 B9R1.35 CC(C)n1ccc(n1)O 271570a_203496583355_100012351941 [1,0,0,0,1,0|2,0,0]=4 4763 B9R1.35 CC(C)n1cnc(c1)O 271570a_203496583355_100010368367 [1,0,0,0,1,0|2,0,0]=4 4764 B9R1.35 CC(N)c1cc(cs1)O 271570a_203496583355_100159270200 [1,0,0,0,1,0|2,0,0]=4 4765 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [1,0,0,0,1,0|2,0,0]=4 4766 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [1,0,0,0,0,1|1,0,1]=4 4767 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,0,0,0,0,1|0,0,1]=3 4768 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [1,0,0,0,0,1|1,0,1]=4 4769 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [1,0,0,0,0,1|1,0,1]=4 4770 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [1,0,0,0,0,1|1,0,1]=4 4771 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,0,0,0,0,1|0,0,1]=3 4772 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [1,0,0,0,0,1|1,0,1]=4 4773 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [1,0,0,0,0,1|1,0,1]=4 4774 B11R1.20 CC(=Cc1ccc(nc1)C)C 271570a_100102525489_100000751577 [1,0,0,0,0,1|1,0,1]=4 4775 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,0,0,0,0,1|1,0,1]=4 4776 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,0,0,0,0,1|1,0,1]=4 4777 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,0,1|1,0,1]=4 4778 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,0,1|1,0,1]=4 4779 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,0,0,0,0,1|1,0,1]=4 4780 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,0,0,0,0,1|1,0,1]=4 4781 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,0,0,0,0,1|1,0,1]=4 4782 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,0,0,0,0,1|1,0,1]=4 4783 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,0,1|1,0,1]=4 4784 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,0,1|1,0,1]=4 4785 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,0,1|1,0,1]=4 4786 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,0,1|1,0,1]=4 4787 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,0,0,0,0,1|1,0,1]=4 4788 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,0,0,0,0,1|0,0,0]=2 4789 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [1,0,0,0,0,1|1,0,0]=3 4790 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [1,0,0,0,0,1|1,0,0]=3 4791 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [1,0,0,0,0,1|1,0,0]=3 4792 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [1,0,0,0,0,1|1,0,0]=3 4793 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [1,0,0,0,0,1|1,0,0]=3 4794 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [1,0,0,0,0,1|1,0,0]=3 4795 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [1,0,0,0,0,1|0,0,0]=2 4796 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [1,0,0,0,0,1|0,0,0]=2 4797 B11R1.20 CC(C)Nc1ccc(cn1)Br 27a_100138425928_100000686858 [1,0,0,0,0,1|2,0,0]=4 4798 B11R1.20 CC(C)Nc1ccc(nn1)O 271570a_203496583355_200011242954 [1,0,0,0,0,1|2,0,0]=4 4799 B11R1.20 CC(C)Nc1ncc(cn1)O 271570a_203496583355_100011934052 [1,0,0,0,0,1|2,0,0]=4 4800 B11R1.20 CC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100000210206 [1,0,0,0,0,1|1,0,1]=4 4801 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [1,0,0,0,0,1|1,0,0]=3 4802 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [1,0,0,0,0,1|1,0,0]=3 4803 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [1,0,0,0,0,1|1,0,0]=3 4804 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [1,0,0,0,0,1|1,0,0]=3 4805 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [1,0,0,0,0,1|1,0,0]=3 4806 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [1,0,0,0,0,1|1,0,0]=3 4807 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [1,0,0,0,0,1|1,0,0]=3 4808 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [1,0,0,0,0,1|1,0,0]=3 4809 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [1,0,0,0,0,1|0,0,0]=2 4810 B11R1.20 CC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000210206 [1,0,0,0,0,1|2,0,0]=4 4811 B11R1.20 CC(C)Oc1ccc(cn1)F 34a_100000742473_100000210206 [1,0,0,0,0,1|2,0,0]=4 4812 B11R1.20 CC(C)Oc1ccc(cn1)N 34a_100000729260_100000210206 [1,0,0,0,0,1|2,0,0]=4 4813 B11R1.20 CC(C)Oc1ccc(cn1)O 271570a_203496583355_100000688564 [1,0,0,0,0,1|1,0,0]=3 4814 B11R1.20 CC(C)Oc1ccc(nc1)Br 34a_100000685995_100000210206 [1,0,0,0,0,1|2,0,0]=4 4815 B11R1.20 CC(C)Oc1ccc(nc1)Br 7a_100000685995_100000210206 [1,0,0,0,0,1|2,0,0]=4 4816 B11R1.20 CC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000210206 [1,0,0,0,0,1|2,0,0]=4 4817 B11R1.20 CC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000210206 [1,0,0,0,0,1|2,0,0]=4 4818 B11R1.20 CC(C)Oc1ccc(nc1)F 34a_100000688820_100000210206 [1,0,0,0,0,1|2,0,0]=4 4819 B11R1.20 CC(C)Oc1ccc(nc1)F 7a_100000688820_100000210206 [1,0,0,0,0,1|2,0,0]=4 4820 B11R1.20 CC(C)Oc1ccc(nc1)I 34a_100000687607_100000210206 [1,0,0,0,0,1|2,0,0]=4 4821 B11R1.20 CC(C)Oc1ccc(nc1)I 7a_100000687607_100000210206 [1,0,0,0,0,1|2,0,0]=4 4822 B11R1.20 CC(C)Oc1ccc(nc1)N 34a_100015188713_100000210206 [1,0,0,0,0,1|2,0,0]=4 4823 B11R1.20 CC(C)Oc1ccc(nc1)N 7a_100015188713_100000210206 [1,0,0,0,0,1|2,0,0]=4 4824 B11R1.20 CC(C)Oc1ccc(nc1)O 271570a_203496583355_100012354243 [1,0,0,0,0,1|1,0,0]=3 4825 B11R1.20 CC(C)Oc1ccc(nn1)O 271570a_203496583355_100011211678 [1,0,0,0,0,1|2,0,0]=4 4826 B11R1.20 CC(C)Oc1cnc(cn1)O 271570a_203496583355_200010967586 [1,0,0,0,0,1|2,0,0]=4 4827 B11R1.20 CC(C)Oc1ncc(cn1)O 271570a_203496583355_200011939451 [1,0,0,0,0,1|2,0,0]=4 4828 B11R1.20 CC(C)Sc1cc[n+](cc1)[O-] 62a_100000210206_100000039755 [1,0,0,0,0,1|1,0,1]=4 4829 B11R1.20 CC(C)Sc1ccc(=O)[nH]c1 62a_100000210206_100000212171 [1,0,0,0,0,1|1,0,1]=4 4830 B11R1.20 CC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100000210206 [1,0,0,0,0,1|1,0,1]=4 4831 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000210206_100000752885 [1,0,0,0,0,1|1,0,0]=3 4832 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000752885_100000210206 [1,0,0,0,0,1|1,0,0]=3 4833 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000210206_100000755918 [1,0,0,0,0,1|1,0,0]=3 4834 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000210206 [1,0,0,0,0,1|1,0,0]=3 4835 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000210206_100000211213 [1,0,0,0,0,1|1,0,0]=3 4836 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000211213_100000210206 [1,0,0,0,0,1|1,0,0]=3 4837 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000185761_100000210206 [1,0,0,0,0,1|1,0,0]=3 4838 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000210206_100000185761 [1,0,0,0,0,1|1,0,0]=3 4839 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [1,0,0,0,0,1|0,0,0]=2 4840 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [1,0,0,0,0,1|0,0,0]=2 4841 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000210206_100000686858 [1,0,0,0,0,1|2,0,0]=4 4842 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000686858_100000210206 [1,0,0,0,0,1|2,0,0]=4 4843 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100000210206_100011356976 [1,0,0,0,0,1|2,0,0]=4 4844 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000210206 [1,0,0,0,0,1|2,0,0]=4 4845 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000210206_100000744514 [1,0,0,0,0,1|2,0,0]=4 4846 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000744514_100000210206 [1,0,0,0,0,1|2,0,0]=4 4847 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000210206_100000737798 [1,0,0,0,0,1|2,0,0]=4 4848 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000737798_100000210206 [1,0,0,0,0,1|2,0,0]=4 4849 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000210206_100000744096 [1,0,0,0,0,1|1,0,0]=3 4850 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000685995_100000210206 [1,0,0,0,0,1|1,0,0]=3 4851 B11R1.20 CC(C)Sc1ccc(nc1)Br 62a_100000210206_100009814638 [1,0,0,0,0,1|2,0,0]=4 4852 B11R1.20 CC(C)Sc1ccc(nc1)Br 62a_100009814638_100000210206 [1,0,0,0,0,1|2,0,0]=4 4853 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000210206 [1,0,0,0,0,1|2,0,0]=4 4854 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000210206_100000034144 [1,0,0,0,0,1|2,0,0]=4 4855 B11R1.20 CC(C)Sc1ccc(nc1)F 62a_100000042367_100000210206 [1,0,0,0,0,1|2,0,0]=4 4856 B11R1.20 CC(C)Sc1ccc(nc1)F 62a_100000210206_100000042367 [1,0,0,0,0,1|2,0,0]=4 4857 B11R1.20 CC(C)Sc1ccc(nc1)N 62a_100000187370_100000210206 [1,0,0,0,0,1|2,0,0]=4 4858 B11R1.20 CC(C)Sc1ccc(nc1)N 62a_100000210206_100000187370 [1,0,0,0,0,1|2,0,0]=4 4859 B11R1.20 CC(C)Sc1cnc(cn1)O 62a_100000210206_100015839800 [1,0,0,0,0,1|2,0,0]=4 4860 B11R1.20 CC(C)Sc1cnc(cn1)O 62a_100011934580_100000210206 [1,0,0,0,0,1|2,0,0]=4 4861 B11R1.20 CC(C)Sc1ncc(cn1)O 271570a_203496583355_200011939557 [1,0,0,0,0,1|2,0,0]=4 4862 B11R1.20 CC(C)Sc1ncc(cn1)O 62a_100000210206_100000092845 [1,0,0,0,0,1|2,0,0]=4 4863 B11R1.20 CC(C)Sc1ncc(cn1)O 62a_100000730009_100000210206 [1,0,0,0,0,1|2,0,0]=4 4864 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [1,0,0,0,0,1|2,0,0]=4 4865 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [1,0,0,0,0,1|2,0,0]=4 4866 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [1,0,0,0,0,1|2,0,0]=4 4867 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [1,0,0,0,0,1|2,0,0]=4 4868 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [1,0,0,0,0,1|2,0,0]=4 4869 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [1,0,0,0,0,1|2,0,0]=4 4870 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [1,0,0,0,0,1|2,0,0]=4 4871 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [1,0,0,0,0,1|2,0,0]=4 4872 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [1,0,0,0,0,1|2,0,0]=4 4873 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [1,0,0,0,0,1|2,0,0]=4 4874 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [1,0,0,0,0,1|2,0,0]=4 4875 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [1,0,0,0,0,1|2,0,0]=4 4876 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [1,0,0,0,0,1|2,0,0]=4 4877 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [1,0,0,0,0,1|2,0,0]=4 4878 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [1,0,0,0,0,1|2,0,0]=4 4879 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [1,0,0,0,0,1|2,0,0]=4 4880 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [1,0,0,0,0,1|2,0,0]=4 4881 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [1,0,0,0,0,1|2,0,0]=4 4882 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [1,0,0,0,0,1|2,0,0]=4 4883 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,0,0,0,0,1|1,0,0]=3 4884 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,0,0,0,0,1|1,0,0]=3 4885 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,0,0,0,0,1|1,0,0]=3 4886 B11R1.20 CN(C)Cc1ccc(nc1)O 271570a_203496583355_106446545466 [1,0,0,0,0,1|2,0,0]=4 4887 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [1,0,0,0,0,1|2,0,0]=4 4888 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [1,0,0,0,0,1|2,0,0]=4 4889 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [1,0,0,0,0,1|2,0,0]=4 4890 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [1,0,0,0,0,1|2,0,0]=4 4891 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [1,0,0,0,0,1|2,0,0]=4 4892 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [1,0,0,0,0,1|2,0,0]=4 4893 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [1,0,0,0,0,1|2,0,0]=4 4894 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [1,0,0,0,0,1|2,0,0]=4 4895 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,0,0,0,0,1|1,0,0]=3 4896 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,0,0,0,0,1|1,0,0]=3 4897 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,0,0,0,0,1|1,0,1]=4 4898 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [1,0,0,0,0,1|1,0,0]=3 4899 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [1,0,0,0,0,1|1,0,0]=3 4900 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [1,0,0,0,0,1|1,0,0]=3 4901 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [1,0,0,0,0,1|1,0,0]=3 4902 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [1,0,0,0,0,1|1,0,0]=3 4903 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [1,0,0,0,0,1|1,0,0]=3 4904 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [1,0,0,0,0,1|1,0,0]=3 4905 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [1,0,0,0,0,1|1,0,0]=3 4906 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [1,0,0,0,0,1|1,0,0]=3 4907 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [1,0,0,0,0,1|0,0,0]=2 4908 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [1,0,0,0,0,1|0,0,0]=2 4909 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [1,0,0,0,0,1|0,0,0]=2 4910 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [1,0,0,0,0,1|0,0,0]=2 4911 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [1,0,0,0,0,1|0,0,0]=2 4912 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_100102631434_100016987292 [1,0,0,0,0,1|2,0,0]=4 4913 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_106623407658_200000210301 [1,0,0,0,0,1|2,0,0]=4 4914 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_100102631434_100016987292 [1,0,0,0,0,1|2,0,0]=4 4915 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_106623407658_200000210301 [1,0,0,0,0,1|2,0,0]=4 4916 B11R1.20 Cc1ccc(cn1)CN(C)C 270004a_100102631434_100000743784 [1,0,0,0,0,1|2,0,0]=4 4917 B11R1.20 Cc1ccc(cn1)CN(C)C 34a_106623407658_200000210301 [1,0,0,0,0,1|2,0,0]=4 4918 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 2230a_106623407658_200025704644 [1,0,0,0,0,1|2,0,0]=4 4919 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 269982a_106623407658_200025704644 [1,0,0,0,0,1|2,0,0]=4 4920 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 34a_106623407658_200025704644 [1,0,0,0,0,1|2,0,0]=4 4921 B11R1.20 Cc1ccc(cn1)OC(C)C 34a_100000745506_100000210206 [1,0,0,0,0,1|1,0,0]=3 4922 B11R1.20 Cc1ccc(cn1)OC(C)C 7a_100000745506_100000210206 [1,0,0,0,0,1|1,0,0]=3 4923 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000210206_100000751577 [1,0,0,0,0,1|1,0,0]=3 4924 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000751577_100000210206 [1,0,0,0,0,1|1,0,0]=3 4925 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_100102631434_100000691093 [1,0,0,0,0,1|2,0,0]=4 4926 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_200000717808_200000210301 [1,0,0,0,0,1|2,0,0]=4 4927 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_100102631434_100000691093 [1,0,0,0,0,1|2,0,0]=4 4928 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_200000717808_200000210301 [1,0,0,0,0,1|2,0,0]=4 4929 B11R1.20 Cc1ccc(nc1)CN(C)C 270004a_100102631434_100000050478 [1,0,0,0,0,1|2,0,0]=4 4930 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 2230a_200000717808_200025704644 [1,0,0,0,0,1|2,0,0]=4 4931 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 269982a_200000717808_200025704644 [1,0,0,0,0,1|2,0,0]=4 4932 B11R1.20 Cc1ccc(nc1)OC(C)C 34a_100000759353_100000210206 [1,0,0,0,0,1|1,0,0]=3 4933 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100000210206_100000754016 [1,0,0,0,0,1|1,0,0]=3 4934 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100011192072_100000210206 [1,0,0,0,0,1|1,0,0]=3 4935 B11R1.20 Cc1ccc(nn1)NC(C)C 27a_100138425928_100000744512 [1,0,0,0,0,1|2,0,0]=4 4936 B11R1.20 Cc1ccc(nn1)SC(C)C 62a_100000210206_100000744512 [1,0,0,0,0,1|2,0,0]=4 4937 B11R1.20 Cc1ccc(nn1)SC(C)C 62a_100000744512_100000210206 [1,0,0,0,0,1|2,0,0]=4 4938 B11R1.20 Cc1cnc(cn1)NC(C)C 27a_100138425928_100000074397 [1,0,0,0,0,1|2,0,0]=4 4939 B11R1.20 Cc1cnc(cn1)SC(C)C 62a_100000210206_100011999403 [1,0,0,0,0,1|2,0,0]=4 4940 B11R1.20 Cc1cnc(cn1)SC(C)C 62a_100011999403_100000210206 [1,0,0,0,0,1|2,0,0]=4 4941 B11R1.20 Cc1cnc(nc1)NC(C)C 27a_100138425928_100000061069 [1,0,0,0,0,1|2,0,0]=4 4942 B11R1.20 Cc1cnc(nc1)SC(C)C 62a_100000061069_100000210206 [1,0,0,0,0,1|2,0,0]=4 4943 B11R1.20 Cc1cnc(nc1)SC(C)C 62a_100000210206_100000061069 [1,0,0,0,0,1|2,0,0]=4 4944 B11R1.20 Cc1ncc(cn1)OC(C)C 34a_100000062939_100000210206 [1,0,0,0,0,1|2,0,0]=4 4945 B11R1.20 Cc1ncc(cn1)OC(C)C 7a_100000062939_100000210206 [1,0,0,0,0,1|2,0,0]=4 4946 B11R1.20 Cc1ncc(cn1)SC(C)C 62a_100000210206_100000686985 [1,0,0,0,0,1|2,0,0]=4 4947 B11R1.20 Cc1ncc(cn1)SC(C)C 62a_100000686985_100000210206 [1,0,0,0,0,1|2,0,0]=4 4948 B11R1.20 Oc1ccc(cc1)OC(F)F 271570a_203496583355_100000179047 [1,0,0,0,0,1|2,0,0]=4 4949 B11R1.20 Oc1ccc(cc1)SC(F)F 271570a_203496583355_100000178776 [1,0,0,0,0,1|2,0,0]=4 4950 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,0,1|1,0,1]=4 4951 B11R1.266 C=C(C)c1cc(ccn1)CO 271570a_100000694244_100009814636 [0,0,0,0,1,1|0,0,2]=4 4952 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [0,0,0,0,1,1|0,0,2]=4 4953 B11R1.266 C=C(C)c1ccnc(c1)CO 271570a_100000694244_100009819072 [0,0,0,0,1,1|0,0,2]=4 4954 B11R1.266 C=C(C)c1cncc(c1)CO 271570a_100000694244_100011259137 [0,0,0,0,1,1|0,0,2]=4 4955 B11R1.266 C=Cc1cc(ccn1)C(C)C 271570a_100011290941_100010237925 [0,0,0,0,1,1|1,0,1]=4 4956 B11R1.266 C=Cc1cccc(c1)C(C)C 271570a_100011290941_100011214899 [0,0,0,0,1,1|1,0,1]=4 4957 B11R1.266 C=Cc1ccnc(c1)C(C)C 271570a_100011290941_100010237922 [0,0,0,0,1,1|1,0,1]=4 4958 B11R1.266 C=Cc1cncc(c1)C(C)C 271570a_100011290941_200010191214 [0,0,0,0,1,1|1,0,1]=4 4959 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,0,0,0,1,1|1,0,1]=4 4960 B11R1.266 CC(C)c1cc(ccn1)S[13CH3] 62a_100010237922_200025704644 [0,0,0,0,1,1|2,0,0]=4 4961 B11R1.266 CC(C)c1cc(ccn1)S[13CH3] 62a_200025704644_100010237922 [0,0,0,0,1,1|2,0,0]=4 4962 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 2230a_100000211879_200025704644 [0,0,0,0,1,1|2,0,0]=4 4963 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 34a_100000211879_200025704644 [0,0,0,0,1,1|2,0,0]=4 4964 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 7a_100000211879_200025704644 [0,0,0,0,1,1|2,0,0]=4 4965 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [0,0,0,0,1,1|2,0,0]=4 4966 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [0,0,0,0,1,1|2,0,0]=4 4967 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_100011214899_200025704644 [0,0,0,0,1,1|2,0,0]=4 4968 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011214899 [0,0,0,0,1,1|2,0,0]=4 4969 B11R1.266 CC(C)c1ccnc(c1)S[13CH3] 62a_100010237925_200025704644 [0,0,0,0,1,1|2,0,0]=4 4970 B11R1.266 CC(C)c1ccnc(c1)S[13CH3] 62a_200025704644_100010237925 [0,0,0,0,1,1|2,0,0]=4 4971 B11R1.266 CC(C)c1cncc(c1)S[13CH3] 62a_200010191214_200025704644 [0,0,0,0,1,1|2,0,0]=4 4972 B11R1.266 CC(C)c1cncc(c1)S[13CH3] 62a_200025704644_200010191214 [0,0,0,0,1,1|2,0,0]=4 4973 B11R1.266 CCc1cc(ccn1)N(C)C 27a_100102631434_100009820011 [0,0,0,0,1,1|2,0,0]=4 4974 B11R1.266 CCc1ccnc(c1)N(C)C 27a_100102631434_100009817561 [0,0,0,0,1,1|2,0,0]=4 4975 B11R1.266 CN(C)c1cc(ncn1)CO 27a_100102631434_100000731546 [0,0,0,0,1,1|2,0,0]=4 4976 B11R1.266 CN(C)c1ccnc(c1)CO 27a_100102631434_100000748867 [0,0,0,0,1,1|1,0,0]=3 4977 B11R1.266 CN(C)c1cncc(n1)CO 27a_100102631434_100009853123 [0,0,0,0,1,1|2,0,0]=4 4978 B11R1.266 CNc1cc(ccn1)C(C)C 27a_100102657272_100010237925 [0,0,0,0,1,1|2,0,0]=4 4979 B11R1.266 CNc1cccc(c1)C(C)C 2230a_100000211879_200000210301 [0,0,0,0,1,1|2,0,0]=4 4980 B11R1.266 CNc1cccc(c1)C(C)C 34a_100000211879_200000210301 [0,0,0,0,1,1|2,0,0]=4 4981 B11R1.266 CNc1cccc(c1)C(C)C 7a_100000211879_200000210301 [0,0,0,0,1,1|2,0,0]=4 4982 B11R1.266 CNc1ccnc(c1)C(C)C 27a_100102657272_100010237922 [0,0,0,0,1,1|2,0,0]=4 4983 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [0,0,0,0,1,1|2,0,0]=4 4984 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [0,0,0,0,1,1|2,0,0]=4 4985 B11R1.266 CSc1cc(ccn1)C(C)C 62a_100010237925_200000210301 [0,0,0,0,1,1|2,0,0]=4 4986 B11R1.266 CSc1cc(ccn1)C(C)C 62a_200000210301_100010237925 [0,0,0,0,1,1|2,0,0]=4 4987 B11R1.266 CSc1cccc(c1)C(C)C 62a_100011214899_200000210301 [0,0,0,0,1,1|2,0,0]=4 4988 B11R1.266 CSc1cccc(c1)C(C)C 62a_200000210301_100011214899 [0,0,0,0,1,1|2,0,0]=4 4989 B11R1.266 CSc1ccnc(c1)C(C)C 62a_100010237922_200000210301 [0,0,0,0,1,1|2,0,0]=4 4990 B11R1.266 CSc1ccnc(c1)C(C)C 62a_200000210301_100010237922 [0,0,0,0,1,1|2,0,0]=4 4991 B11R1.266 CSc1cncc(c1)C(C)C 62a_200000210301_200010191214 [0,0,0,0,1,1|2,0,0]=4 4992 B11R1.266 CSc1cncc(c1)C(C)C 62a_200010191214_200000210301 [0,0,0,0,1,1|2,0,0]=4 4993 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,0,0,0,1,1|1,0,1]=4 4994 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 207a_100138425928_100011361452 [0,0,0,0,0,2|1,0,1]=4 4995 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 2230a_100015199678_100000210206 [0,0,0,0,0,2|1,0,1]=4 4996 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000140223 [0,0,0,0,0,2|1,0,1]=4 4997 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 34a_100015199678_100000210206 [0,0,0,0,0,2|1,0,1]=4 4998 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000140223 [0,0,0,0,0,2|1,0,1]=4 4999 B13R1.3 C#Cc1ccc(cc1)COC(C)C 34a_100000054647_100000210206 [0,0,0,0,0,2|1,0,1]=4 5000 B13R1.3 C#Cc1ccc(cc1)COC(C)C 34a_100000212225_100000140223 [0,0,0,0,0,2|1,0,1]=4 5001 B13R1.3 C#Cc1ccc(cc1)COC(C)C 7a_100000054647_100000210206 [0,0,0,0,0,2|1,0,1]=4 5002 B13R1.3 C#Cc1ccc(cc1)CSC(C)C 62a_100000210206_100000140223 [0,0,0,0,0,2|1,0,1]=4 5003 B13R1.3 C#Cc1ccc(cc1)NCC(C)C 34a_100011215031_100000210624 [0,0,0,0,0,2|1,0,1]=4 5004 B13R1.3 C=C(C)CNc1ccc(cc1)CO 2230a_100011215238_100000748629 [0,0,0,0,0,2|0,0,2]=4 5005 B13R1.3 C=C(C)CNc1ccc(cc1)CO 34a_100011215238_100000748629 [0,0,0,0,0,2|0,0,2]=4 5006 B13R1.3 C=C(C)COc1ccc(cc1)CO 34a_100000211755_100000748629 [0,0,0,0,0,2|0,0,2]=4 5007 B13R1.3 C=C(C)CSc1ccc(cc1)CO 62a_100000690907_100000211660 [0,0,0,0,0,2|0,0,2]=4 5008 B13R1.3 C=C(C)CSc1ccc(cc1)CO 62a_100000748629_100000690907 [0,0,0,0,0,2|0,0,2]=4 5009 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000034074 [0,0,0,0,0,2|1,0,1]=4 5010 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 271570a_100011290941_100000195760 [0,0,0,0,0,2|1,0,1]=4 5011 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000034074 [0,0,0,0,0,2|1,0,1]=4 5012 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 34a_200011934891_100000210206 [0,0,0,0,0,2|1,0,1]=4 5013 B13R1.3 C=Cc1ccc(cc1)COC(C)C 271570a_100011290941_100000758563 [0,0,0,0,0,2|1,0,1]=4 5014 B13R1.3 C=Cc1ccc(cc1)COC(C)C 34a_100000073583_100000210206 [0,0,0,0,0,2|1,0,1]=4 5015 B13R1.3 C=Cc1ccc(cc1)COC(C)C 34a_100000212225_100000034074 [0,0,0,0,0,2|1,0,1]=4 5016 B13R1.3 C=Cc1ccc(cc1)COC(C)C 7a_100000073583_100000210206 [0,0,0,0,0,2|1,0,1]=4 5017 B13R1.3 C=Cc1ccc(cc1)CSC(C)C 271570a_100011290941_100000173087 [0,0,0,0,0,2|1,0,1]=4 5018 B13R1.3 C=Cc1ccc(cc1)CSC(C)C 62a_100000034074_100000210206 [0,0,0,0,0,2|1,0,1]=4 5019 B13R1.3 C=Cc1ccc(cc1)CSC(C)C 62a_100000210206_100000034074 [0,0,0,0,0,2|1,0,1]=4 5020 B13R1.3 C=Cc1ccc(cc1)NCC(C)C 271570a_100011290941_200011231703 [0,0,0,0,0,2|1,0,1]=4 5021 B13R1.3 C=Cc1ccc(cc1)NCC(C)C 34a_100011218248_100000210624 [0,0,0,0,0,2|1,0,1]=4 5022 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 271570a_100011290941_200000169949 [0,0,0,0,0,2|1,0,1]=4 5023 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 34a_100000189437_100000210624 [0,0,0,0,0,2|1,0,1]=4 5024 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 7a_100000189437_100000210760 [0,0,0,0,0,2|1,0,1]=4 5025 B13R1.3 C=Cc1ccc(cc1)SCC(C)C 62a_100000210624_100000748128 [0,0,0,0,0,2|1,0,1]=4 5026 B13R1.3 C=Cc1ccc(cc1)SCC(C)C 62a_100000748128_100000210760 [0,0,0,0,0,2|1,0,1]=4 5027 B13R1.3 CC(=O)COc1ccc(cc1)CO 1458a_100000730898_200000210301 [0,0,0,0,0,2|1,0,1]=4 5028 B13R1.3 CC(=O)NCc1ccc(cc1)CO 240690a_100015189231_100015343762 [0,0,0,0,0,2|1,0,1]=4 5029 B13R1.3 CC(=O)NCc1ccc(cc1)CO 527a_100015189231_100103153847 [0,0,0,0,0,2|1,0,1]=4 5030 B13R1.3 CC(C)C=Cc1ccc(cc1)C#N 271570a_100016257149_100000179745 [0,0,0,0,0,2|1,0,1]=4 5031 B13R1.3 CC(C)C=Cc1ccc(cc1)C=O 271570a_100016257149_100000186029 [0,0,0,0,0,2|0,0,2]=4 5032 B13R1.3 CC(C)C=Cc1ccc(cc1)CF 271570a_100016257149_100010268989 [0,0,0,0,0,2|1,0,0]=3 5033 B13R1.3 CC(C)C=Cc1ccc(cc1)CN 271570a_100016257149_100016989417 [0,0,0,0,0,2|1,0,0]=3 5034 B13R1.3 CC(C)C=Cc1ccc(cc1)CO 271570a_100016257149_100000690907 [0,0,0,0,0,2|0,0,0]=2 5035 B13R1.3 CC(C)C=Cc1ccc(cc1)NN 271570a_100016257149_100016988836 [0,0,0,0,0,2|2,0,0]=4 5036 B13R1.3 CC(C)C=Cc1ccc(cn1)CN 271570a_100016257149_100009817727 [0,0,0,0,0,2|2,0,0]=4 5037 B13R1.3 CC(C)C=Cc1ccc(cn1)CO 271570a_100016257149_100009816760 [0,0,0,0,0,2|1,0,0]=3 5038 B13R1.3 CC(C)C=Cc1ccc(nc1)CN 271570a_100016257149_100015188789 [0,0,0,0,0,2|2,0,0]=4 5039 B13R1.3 CC(C)C=Cc1ccc(nc1)CO 271570a_100016257149_100000754261 [0,0,0,0,0,2|1,0,0]=3 5040 B13R1.3 CC(C)C=Cc1cnc(cn1)CO 271570a_100016257149_100012002382 [0,0,0,0,0,2|2,0,0]=4 5041 B13R1.3 CC(C)C=Cc1cnc(nc1)CO 271570a_100016257149_100009867226 [0,0,0,0,0,2|2,0,0]=4 5042 B13R1.3 CC(C)C=Cc1ncc(cn1)CO 271570a_100016257149_100009855073 [0,0,0,0,0,2|2,0,0]=4 5043 B13R1.3 CC(C)CNc1ccc(cc1)C#N 34a_100000185469_100000210624 [0,0,0,0,0,2|1,0,1]=4 5044 B13R1.3 CC(C)CNc1ccc(cc1)CO 2230a_100011215238_100000210760 [0,0,0,0,0,2|0,0,0]=2 5045 B13R1.3 CC(C)CNc1ccc(cc1)CO 34a_100011215238_100000210624 [0,0,0,0,0,2|0,0,0]=2 5046 B13R1.3 CC(C)CNc1ccc(cc1)S[13CH3] 62a_200011231703_200025704644 [0,0,0,0,0,2|2,0,0]=4 5047 B13R1.3 CC(C)CNc1ccc(cc1)S[13CH3] 62a_200025704644_200011231703 [0,0,0,0,0,2|2,0,0]=4 5048 B13R1.3 CC(C)CNc1cnc(cn1)CO 27a_100000210953_100012002382 [0,0,0,0,0,2|2,0,0]=4 5049 B13R1.3 CC(C)CNc1ncc(cn1)CO 27a_100000210953_100009855073 [0,0,0,0,0,2|2,0,0]=4 5050 B13R1.3 CC(C)COc1ccc(cc1)C#N 34a_100000210344_100000210624 [0,0,0,0,0,2|1,0,1]=4 5051 B13R1.3 CC(C)COc1ccc(cc1)C#N 7a_100000210344_100000210760 [0,0,0,0,0,2|1,0,1]=4 5052 B13R1.3 CC(C)COc1ccc(cc1)CN 34a_100000185549_100000210624 [0,0,0,0,0,2|1,0,0]=3 5053 B13R1.3 CC(C)COc1ccc(cc1)CO 34a_100000211755_100000210624 [0,0,0,0,0,2|0,0,0]=2 5054 B13R1.3 CC(C)COc1ccc(cc1)N[13CH3] 34a_200000243789_200025704644 [0,0,0,0,0,2|2,0,0]=4 5055 B13R1.3 CC(C)COc1ccc(cc1)S[13CH3] 62a_200000169949_200025704644 [0,0,0,0,0,2|2,0,0]=4 5056 B13R1.3 CC(C)COc1ccc(cc1)S[13CH3] 62a_200025704644_200000169949 [0,0,0,0,0,2|2,0,0]=4 5057 B13R1.3 CC(C)COc1ccc(cn1)CN 34a_100000757128_100000210624 [0,0,0,0,0,2|2,0,0]=4 5058 B13R1.3 CC(C)COc1ccc(nc1)CN 34a_100020605196_100000210624 [0,0,0,0,0,2|2,0,0]=4 5059 B13R1.3 CC(C)COc1ccc(nc1)CO 34a_103436540053_100000210624 [0,0,0,0,0,2|1,0,0]=3 5060 B13R1.3 CC(C)CSc1ccc(cc1)C#N 62a_100000210624_100000184291 [0,0,0,0,0,2|1,0,1]=4 5061 B13R1.3 CC(C)CSc1ccc(cc1)C=O 62a_100000188517_100000210760 [0,0,0,0,0,2|0,0,2]=4 5062 B13R1.3 CC(C)CSc1ccc(cc1)C=O 62a_100000210624_100000188517 [0,0,0,0,0,2|0,0,2]=4 5063 B13R1.3 CC(C)CSc1ccc(cc1)CF 62a_100000210624_100010268989 [0,0,0,0,0,2|1,0,0]=3 5064 B13R1.3 CC(C)CSc1ccc(cc1)CF 62a_100010268989_100000210760 [0,0,0,0,0,2|1,0,0]=3 5065 B13R1.3 CC(C)CSc1ccc(cc1)CN 62a_100000210624_100016989417 [0,0,0,0,0,2|1,0,0]=3 5066 B13R1.3 CC(C)CSc1ccc(cc1)CN 62a_100016989417_100000210760 [0,0,0,0,0,2|1,0,0]=3 5067 B13R1.3 CC(C)CSc1ccc(cc1)CO 62a_100000210624_100000690907 [0,0,0,0,0,2|0,0,0]=2 5068 B13R1.3 CC(C)CSc1ccc(cc1)CO 62a_100000690907_100000210760 [0,0,0,0,0,2|0,0,0]=2 5069 B13R1.3 CC(C)CSc1ccc(cc1)NN 62a_100000210624_100016988836 [0,0,0,0,0,2|2,0,0]=4 5070 B13R1.3 CC(C)CSc1ccc(cc1)NN 62a_100016988836_100000210760 [0,0,0,0,0,2|2,0,0]=4 5071 B13R1.3 CC(C)CSc1ccc(cn1)CN 62a_100000210624_100000735879 [0,0,0,0,0,2|2,0,0]=4 5072 B13R1.3 CC(C)CSc1ccc(cn1)CN 62a_100000735879_100000210760 [0,0,0,0,0,2|2,0,0]=4 5073 B13R1.3 CC(C)CSc1ccc(cn1)CO 62a_100000210624_100009816760 [0,0,0,0,0,2|1,0,0]=3 5074 B13R1.3 CC(C)CSc1ccc(cn1)CO 62a_100009816760_100000210760 [0,0,0,0,0,2|1,0,0]=3 5075 B13R1.3 CC(C)CSc1ccc(nc1)CN 62a_100000210624_100015188789 [0,0,0,0,0,2|2,0,0]=4 5076 B13R1.3 CC(C)CSc1ccc(nc1)CN 62a_100015188789_100000210760 [0,0,0,0,0,2|2,0,0]=4 5077 B13R1.3 CC(C)CSc1ccc(nc1)CO 62a_100000210624_100000754261 [0,0,0,0,0,2|1,0,0]=3 5078 B13R1.3 CC(C)CSc1ccc(nc1)CO 62a_100000754261_100000210760 [0,0,0,0,0,2|1,0,0]=3 5079 B13R1.3 CC(C)CSc1cnc(cn1)CO 62a_100000210624_100012002382 [0,0,0,0,0,2|2,0,0]=4 5080 B13R1.3 CC(C)CSc1cnc(cn1)CO 62a_100012002382_100000210760 [0,0,0,0,0,2|2,0,0]=4 5081 B13R1.3 CC(C)CSc1cnc(nc1)CO 62a_100000210624_100009867226 [0,0,0,0,0,2|2,0,0]=4 5082 B13R1.3 CC(C)CSc1cnc(nc1)CO 62a_100009867226_100000210760 [0,0,0,0,0,2|2,0,0]=4 5083 B13R1.3 CC(C)CSc1ncc(cn1)CO 62a_100000210624_100009855073 [0,0,0,0,0,2|2,0,0]=4 5084 B13R1.3 CC(C)CSc1ncc(cn1)CO 62a_100009855073_100000210760 [0,0,0,0,0,2|2,0,0]=4 5085 B13R1.3 CC(C)NCc1ccc(cc1)C#N 207a_100138425928_100000211122 [0,0,0,0,0,2|1,0,1]=4 5086 B13R1.3 CC(C)NCc1ccc(cc1)C#N 2230a_100138425928_100000184898 [0,0,0,0,0,2|1,0,1]=4 5087 B13R1.3 CC(C)NCc1ccc(cc1)C#N 34a_100015207190_100000210206 [0,0,0,0,0,2|1,0,1]=4 5088 B13R1.3 CC(C)NCc1ccc(cc1)C#N 34a_100138425928_100000184898 [0,0,0,0,0,2|1,0,1]=4 5089 B13R1.3 CC(C)NCc1ccc(cc1)C=O 2230a_100138425928_100009816848 [0,0,0,0,0,2|0,0,2]=4 5090 B13R1.3 CC(C)NCc1ccc(cc1)C=O 34a_100138425928_100009816848 [0,0,0,0,0,2|0,0,2]=4 5091 B13R1.3 CC(C)NCc1ccc(cc1)CO 207a_100138425928_100009832023 [0,0,0,0,0,2|0,0,0]=2 5092 B13R1.3 CC(C)NCc1ccc(cc1)CO 2230a_100015189231_100000210206 [0,0,0,0,0,2|0,0,0]=2 5093 B13R1.3 CC(C)NCc1ccc(cc1)CO 2230a_100138425928_100000067286 [0,0,0,0,0,2|0,0,0]=2 5094 B13R1.3 CC(C)NCc1ccc(cc1)CO 34a_100015189231_100000210206 [0,0,0,0,0,2|0,0,0]=2 5095 B13R1.3 CC(C)NCc1ccc(cc1)CO 34a_100138425928_100000067286 [0,0,0,0,0,2|0,0,0]=2 5096 B13R1.3 CC(C)NCc1ccc(cc1)S[13CH3] 62a_100000195760_200025704644 [0,0,0,0,0,2|2,0,0]=4 5097 B13R1.3 CC(C)NCc1ccc(cc1)S[13CH3] 62a_200025704644_100000195760 [0,0,0,0,0,2|2,0,0]=4 5098 B13R1.3 CC(C)NN=C1C=CC(=NCl)C=C1 4a_100000741168_100000088476 [0,0,0,0,0,2|2,0,0]=4 5099 B13R1.3 CC(C)NN=C1C=CC(=NO)C=C1 4a_100000741168_200000095120 [0,0,0,0,0,2|1,0,0]=3 5100 B13R1.3 CC(C)OCc1ccc(cc1)C#N 34a_100000212225_100000184898 [0,0,0,0,0,2|1,0,1]=4 5101 B13R1.3 CC(C)OCc1ccc(cc1)C#N 34a_100000238739_100000210206 [0,0,0,0,0,2|1,0,1]=4 5102 B13R1.3 CC(C)OCc1ccc(cc1)C#N 7a_100000238739_100000210206 [0,0,0,0,0,2|1,0,1]=4 5103 B13R1.3 CC(C)OCc1ccc(cc1)C=O 34a_100000212225_100009816848 [0,0,0,0,0,2|0,0,2]=4 5104 B13R1.3 CC(C)OCc1ccc(cc1)CBr 34a_100012353999_100000210206 [0,0,0,0,0,2|1,0,0]=3 5105 B13R1.3 CC(C)OCc1ccc(cc1)CBr 7a_100012353999_100000210206 [0,0,0,0,0,2|1,0,0]=3 5106 B13R1.3 CC(C)OCc1ccc(cc1)CCl 34a_100000067286_100000210206 [0,0,0,0,0,2|1,0,0]=3 5107 B13R1.3 CC(C)OCc1ccc(cc1)CCl 7a_100000067286_100000210206 [0,0,0,0,0,2|1,0,0]=3 5108 B13R1.3 CC(C)OCc1ccc(cc1)CN 34a_100015189231_100000210206 [0,0,0,0,0,2|1,0,0]=3 5109 B13R1.3 CC(C)OCc1ccc(cc1)CO 34a_100000212225_100000067286 [0,0,0,0,0,2|0,0,0]=2 5110 B13R1.3 CC(C)OCc1ccc(cc1)S[13CH3] 62a_100000758563_200025704644 [0,0,0,0,0,2|2,0,0]=4 5111 B13R1.3 CC(C)OCc1ccc(cc1)S[13CH3] 62a_200025704644_100000758563 [0,0,0,0,0,2|2,0,0]=4 5112 B13R1.3 CC(C)SCc1ccc(cc1)C#N 62a_100000210206_100000184898 [0,0,0,0,0,2|1,0,1]=4 5113 B13R1.3 CC(C)SCc1ccc(cc1)C=O 62a_100000210206_100009816848 [0,0,0,0,0,2|0,0,2]=4 5114 B13R1.3 CC(C)SCc1ccc(cc1)C=O 62a_100009816848_100000210206 [0,0,0,0,0,2|0,0,2]=4 5115 B13R1.3 CC(C)SCc1ccc(cc1)CO 62a_100000067286_100000210206 [0,0,0,0,0,2|0,0,0]=2 5116 B13R1.3 CC(C)SCc1ccc(cc1)CO 62a_100000210206_100000067286 [0,0,0,0,0,2|0,0,0]=2 5117 B13R1.3 CC(C)SCc1ccc(cc1)S[13CH3] 62a_100000173087_200025704644 [0,0,0,0,0,2|2,0,0]=4 5118 B13R1.3 CC(C)SCc1ccc(cc1)S[13CH3] 62a_200025704644_100000173087 [0,0,0,0,0,2|2,0,0]=4 5119 B13R1.3 CC(O)C=Cc1ccc(cc1)CF 271570a_200011019289_100010268989 [0,0,0,0,0,2|2,0,0]=4 5120 B13R1.3 CC(O)C=Cc1ccc(cc1)CN 271570a_200011019289_100016989417 [0,0,0,0,0,2|2,0,0]=4 5121 B13R1.3 CC(O)C=Cc1ccc(cc1)CO 271570a_200011019289_100000690907 [0,0,0,0,0,2|1,0,0]=3 5122 B13R1.3 CC(O)C=Cc1ccc(cn1)CO 271570a_200011019289_100009816760 [0,0,0,0,0,2|2,0,0]=4 5123 B13R1.3 CC(O)C=Cc1ccc(nc1)CO 271570a_200011019289_100000754261 [0,0,0,0,0,2|2,0,0]=4 5124 B13R1.3 CC(O)CNc1ccc(cc1)CO 2230a_100011215238_100011218427 [0,0,0,0,0,2|1,0,0]=3 5125 B13R1.3 CC(O)CNc1ccc(cc1)CO 34a_100011215238_100011218427 [0,0,0,0,0,2|1,0,0]=3 5126 B13R1.3 CC(O)COc1ccc(cc1)CN 34a_100000185549_100011218427 [0,0,0,0,0,2|2,0,0]=4 5127 B13R1.3 CC(O)COc1ccc(cc1)CO 34a_100000211755_100011218427 [0,0,0,0,0,2|1,0,0]=3 5128 B13R1.3 CC(O)COc1ccc(nc1)CO 34a_103436540053_100011218427 [0,0,0,0,0,2|2,0,0]=4 5129 B13R1.3 CC(O)CSc1ccc(cc1)CF 62a_100010268989_100011218427 [0,0,0,0,0,2|2,0,0]=4 5130 B13R1.3 CC(O)CSc1ccc(cc1)CF 62a_100011218427_100010268989 [0,0,0,0,0,2|2,0,0]=4 5131 B13R1.3 CC(O)CSc1ccc(cc1)CN 62a_100011218427_100016989417 [0,0,0,0,0,2|2,0,0]=4 5132 B13R1.3 CC(O)CSc1ccc(cc1)CN 62a_100016989417_100011218427 [0,0,0,0,0,2|2,0,0]=4 5133 B13R1.3 CC(O)CSc1ccc(cc1)CO 62a_100000690907_100011218427 [0,0,0,0,0,2|1,0,0]=3 5134 B13R1.3 CC(O)CSc1ccc(cc1)CO 62a_100011218427_100000690907 [0,0,0,0,0,2|1,0,0]=3 5135 B13R1.3 CC(O)CSc1ccc(cn1)CO 62a_100009816760_100011218427 [0,0,0,0,0,2|2,0,0]=4 5136 B13R1.3 CC(O)CSc1ccc(cn1)CO 62a_100011218427_100009816760 [0,0,0,0,0,2|2,0,0]=4 5137 B13R1.3 CC(O)CSc1ccc(nc1)CO 62a_100000754261_100011218427 [0,0,0,0,0,2|2,0,0]=4 5138 B13R1.3 CC(O)CSc1ccc(nc1)CO 62a_100011218427_100000754261 [0,0,0,0,0,2|2,0,0]=4 5139 B13R1.3 CCc1ccc(cc1)C=CC(C)C 271570a_100016257149_100011215824 [0,0,0,0,0,2|1,0,0]=3 5140 B13R1.3 CCc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011215824 [0,0,0,0,0,2|2,0,0]=4 5141 B13R1.3 CCc1ccc(cc1)CNC(C)C 207a_100138425928_100000211036 [0,0,0,0,0,2|1,0,0]=3 5142 B13R1.3 CCc1ccc(cc1)CNC(C)C 2230a_100000721222_100000210206 [0,0,0,0,0,2|1,0,0]=3 5143 B13R1.3 CCc1ccc(cc1)CNC(C)C 2230a_100138425928_100000747183 [0,0,0,0,0,2|1,0,0]=3 5144 B13R1.3 CCc1ccc(cc1)CNC(C)C 34a_100000721222_100000210206 [0,0,0,0,0,2|1,0,0]=3 5145 B13R1.3 CCc1ccc(cc1)CNC(C)C 34a_100138425928_100000747183 [0,0,0,0,0,2|1,0,0]=3 5146 B13R1.3 CCc1ccc(cc1)COC(C)C 34a_100000212225_100000747183 [0,0,0,0,0,2|1,0,0]=3 5147 B13R1.3 CCc1ccc(cc1)COC(C)C 34a_100000702245_100000210206 [0,0,0,0,0,2|1,0,0]=3 5148 B13R1.3 CCc1ccc(cc1)COC(C)C 7a_100000702245_100000210206 [0,0,0,0,0,2|1,0,0]=3 5149 B13R1.3 CCc1ccc(cc1)CSC(C)C 62a_100000210206_100000747183 [0,0,0,0,0,2|1,0,0]=3 5150 B13R1.3 CCc1ccc(cc1)CSC(C)C 62a_100000757233_100000210206 [0,0,0,0,0,2|1,0,0]=3 5151 B13R1.3 CCc1ccc(cc1)NCC(C)C 2230a_100000211069_100000210760 [0,0,0,0,0,2|1,0,0]=3 5152 B13R1.3 CCc1ccc(cc1)NCC(C)C 34a_100000211069_100000210624 [0,0,0,0,0,2|1,0,0]=3 5153 B13R1.3 CCc1ccc(cc1)NCC(C)O 2230a_100000211069_100011218427 [0,0,0,0,0,2|2,0,0]=4 5154 B13R1.3 CCc1ccc(cc1)NCC(C)O 34a_100000211069_100011218427 [0,0,0,0,0,2|2,0,0]=4 5155 B13R1.3 CCc1ccc(cc1)NC[C@@H](C)O 2230a_100000211069_100009817552 [0,0,0,0,0,2|2,0,0]=4 5156 B13R1.3 CCc1ccc(cc1)NC[C@@H](C)O 34a_100000211069_100009817552 [0,0,0,0,0,2|2,0,0]=4 5157 B13R1.3 CCc1ccc(cc1)OCC(C)C 34a_100000211359_100000210624 [0,0,0,0,0,2|1,0,0]=3 5158 B13R1.3 CCc1ccc(cc1)OCC(C)C 7a_100000211359_100000210760 [0,0,0,0,0,2|1,0,0]=3 5159 B13R1.3 CCc1ccc(cc1)OCC(C)O 34a_100000211359_100011218427 [0,0,0,0,0,2|2,0,0]=4 5160 B13R1.3 CCc1ccc(cc1)OCC(C)O 7a_100000211359_100011218427 [0,0,0,0,0,2|2,0,0]=4 5161 B13R1.3 CCc1ccc(cc1)OC[C@@H](C)O 34a_100000211359_100009817552 [0,0,0,0,0,2|2,0,0]=4 5162 B13R1.3 CCc1ccc(cc1)OC[C@@H](C)O 7a_100000211359_100009817552 [0,0,0,0,0,2|2,0,0]=4 5163 B13R1.3 CCc1ccc(cc1)SCC(C)C 62a_100000210624_100011215824 [0,0,0,0,0,2|1,0,0]=3 5164 B13R1.3 CCc1ccc(cc1)SCC(C)C 62a_100011215824_100000210760 [0,0,0,0,0,2|1,0,0]=3 5165 B13R1.3 CCc1ccc(cc1)SCC(C)O 62a_100011215824_100011218427 [0,0,0,0,0,2|2,0,0]=4 5166 B13R1.3 CCc1ccc(cc1)SCC(C)O 62a_100011218427_100011215824 [0,0,0,0,0,2|2,0,0]=4 5167 B13R1.3 CCc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100011215824 [0,0,0,0,0,2|2,0,0]=4 5168 B13R1.3 CCc1ccc(cc1)SC[C@@H](C)O 62a_100011215824_100009817552 [0,0,0,0,0,2|2,0,0]=4 5169 B13R1.3 CCc1ccc(cn1)C=CC(C)C 271570a_100016257149_100009820025 [0,0,0,0,0,2|2,0,0]=4 5170 B13R1.3 CCc1ccc(cn1)SCC(C)C 62a_100000210624_100009820025 [0,0,0,0,0,2|2,0,0]=4 5171 B13R1.3 CCc1ccc(cn1)SCC(C)C 62a_100009820025_100000210760 [0,0,0,0,0,2|2,0,0]=4 5172 B13R1.3 CCc1ccc(nc1)C=CC(C)C 271570a_100016257149_100009843584 [0,0,0,0,0,2|2,0,0]=4 5173 B13R1.3 CCc1ccc(nc1)CNC(C)C 207a_100138425928_100000069529 [0,0,0,0,0,2|2,0,0]=4 5174 B13R1.3 CCc1ccc(nc1)CNC(C)C 2230a_100000069493_100000210206 [0,0,0,0,0,2|2,0,0]=4 5175 B13R1.3 CCc1ccc(nc1)CNC(C)C 34a_100000069493_100000210206 [0,0,0,0,0,2|2,0,0]=4 5176 B13R1.3 CCc1ccc(nc1)COC(C)C 34a_100000068455_100000210206 [0,0,0,0,0,2|2,0,0]=4 5177 B13R1.3 CCc1ccc(nc1)SCC(C)C 62a_100000210624_100009843584 [0,0,0,0,0,2|2,0,0]=4 5178 B13R1.3 CCc1ccc(nc1)SCC(C)C 62a_100009843584_100000210760 [0,0,0,0,0,2|2,0,0]=4 5179 B13R1.3 CNc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000219623 [0,0,0,0,0,2|2,0,0]=4 5180 B13R1.3 CNc1ccc(cc1)OCC(C)C 27a_100102657272_200000169949 [0,0,0,0,0,2|2,0,0]=4 5181 B13R1.3 CNc1ccc(cc1)OCC(C)C 34a_100000182112_100000210624 [0,0,0,0,0,2|2,0,0]=4 5182 B13R1.3 CNc1ccc(cc1)OCC(C)C 34a_200000243789_200000210301 [0,0,0,0,0,2|2,0,0]=4 5183 B13R1.3 CNc1ccc(cc1)SCC(C)C 62a_100000210624_100000743151 [0,0,0,0,0,2|2,0,0]=4 5184 B13R1.3 CNc1ccc(cc1)SCC(C)C 62a_100000743151_100000210760 [0,0,0,0,0,2|2,0,0]=4 5185 B13R1.3 COc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000171711 [0,0,0,0,0,2|2,0,0]=4 5186 B13R1.3 COc1ccc(cc1)CNC(C)C 207a_100138425928_100000169835 [0,0,0,0,0,2|2,0,0]=4 5187 B13R1.3 COc1ccc(cc1)CNC(C)C 2230a_100138425928_100000742318 [0,0,0,0,0,2|2,0,0]=4 5188 B13R1.3 COc1ccc(cc1)CNC(C)C 34a_100000185587_100000210206 [0,0,0,0,0,2|2,0,0]=4 5189 B13R1.3 COc1ccc(cc1)CNC(C)C 34a_100138425928_100000742318 [0,0,0,0,0,2|2,0,0]=4 5190 B13R1.3 COc1ccc(cc1)COC(C)C 34a_100000173359_100000210206 [0,0,0,0,0,2|2,0,0]=4 5191 B13R1.3 COc1ccc(cc1)COC(C)C 34a_100000212225_100000742318 [0,0,0,0,0,2|2,0,0]=4 5192 B13R1.3 COc1ccc(cc1)CSC(C)C 62a_100000210206_100000742318 [0,0,0,0,0,2|2,0,0]=4 5193 B13R1.3 COc1ccc(cc1)NCC(C)C 34a_100000184247_100000210624 [0,0,0,0,0,2|2,0,0]=4 5194 B13R1.3 COc1ccc(cc1)OCC(C)C 34a_100000210503_100000210624 [0,0,0,0,0,2|2,0,0]=4 5195 B13R1.3 COc1ccc(cc1)SCC(C)C 62a_100000210624_100000171711 [0,0,0,0,0,2|2,0,0]=4 5196 B13R1.3 CSc1ccc(cc1)C=CC(C)C 271570a_100016257149_100011263217 [0,0,0,0,0,2|2,0,0]=4 5197 B13R1.3 CSc1ccc(cc1)CNC(C)C 207a_100138425928_100000211154 [0,0,0,0,0,2|2,0,0]=4 5198 B13R1.3 CSc1ccc(cc1)CNC(C)C 2230a_100000174980_100000210206 [0,0,0,0,0,2|2,0,0]=4 5199 B13R1.3 CSc1ccc(cc1)CNC(C)C 2230a_100138425928_100000181263 [0,0,0,0,0,2|2,0,0]=4 5200 B13R1.3 CSc1ccc(cc1)CNC(C)C 34a_100000174980_100000210206 [0,0,0,0,0,2|2,0,0]=4 5201 B13R1.3 CSc1ccc(cc1)CNC(C)C 34a_100138425928_100000181263 [0,0,0,0,0,2|2,0,0]=4 5202 B13R1.3 CSc1ccc(cc1)CNC(C)C 62a_100000195760_200000210301 [0,0,0,0,0,2|2,0,0]=4 5203 B13R1.3 CSc1ccc(cc1)CNC(C)C 62a_200000210301_100000195760 [0,0,0,0,0,2|2,0,0]=4 5204 B13R1.3 CSc1ccc(cc1)COC(C)C 34a_100000212225_100000181263 [0,0,0,0,0,2|2,0,0]=4 5205 B13R1.3 CSc1ccc(cc1)COC(C)C 34a_100011215404_100000210206 [0,0,0,0,0,2|2,0,0]=4 5206 B13R1.3 CSc1ccc(cc1)COC(C)C 62a_100000758563_200000210301 [0,0,0,0,0,2|2,0,0]=4 5207 B13R1.3 CSc1ccc(cc1)COC(C)C 62a_200000210301_100000758563 [0,0,0,0,0,2|2,0,0]=4 5208 B13R1.3 CSc1ccc(cc1)COC(C)C 7a_100011215404_100000210206 [0,0,0,0,0,2|2,0,0]=4 5209 B13R1.3 CSc1ccc(cc1)CSC(C)C 62a_100000173087_200000210301 [0,0,0,0,0,2|2,0,0]=4 5210 B13R1.3 CSc1ccc(cc1)CSC(C)C 62a_100000181263_100000210206 [0,0,0,0,0,2|2,0,0]=4 5211 B13R1.3 CSc1ccc(cc1)CSC(C)C 62a_100000210206_100000181263 [0,0,0,0,0,2|2,0,0]=4 5212 B13R1.3 CSc1ccc(cc1)CSC(C)C 62a_200000210301_100000173087 [0,0,0,0,0,2|2,0,0]=4 5213 B13R1.3 CSc1ccc(cc1)NCC(C)C 34a_100000212337_100000210624 [0,0,0,0,0,2|2,0,0]=4 5214 B13R1.3 CSc1ccc(cc1)NCC(C)C 62a_200000210301_200011231703 [0,0,0,0,0,2|2,0,0]=4 5215 B13R1.3 CSc1ccc(cc1)NCC(C)C 62a_200011231703_200000210301 [0,0,0,0,0,2|2,0,0]=4 5216 B13R1.3 CSc1ccc(cc1)OCC(C)C 34a_100000211864_100000210624 [0,0,0,0,0,2|2,0,0]=4 5217 B13R1.3 CSc1ccc(cc1)OCC(C)C 62a_200000169949_200000210301 [0,0,0,0,0,2|2,0,0]=4 5218 B13R1.3 CSc1ccc(cc1)OCC(C)C 62a_200000210301_200000169949 [0,0,0,0,0,2|2,0,0]=4 5219 B13R1.3 CSc1ccc(cc1)SCC(C)C 62a_100000210624_100011263217 [0,0,0,0,0,2|2,0,0]=4 5220 B13R1.3 CSc1ccc(cc1)SCC(C)C 62a_100011263217_100000210760 [0,0,0,0,0,2|2,0,0]=4 5221 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 2230a_100011215238_100009817552 [0,0,0,0,0,2|1,0,0]=3 5222 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 34a_100011215238_100009817552 [0,0,0,0,0,2|1,0,0]=3 5223 B13R1.3 C[C@@H](O)COc1ccc(cc1)CN 34a_100000185549_100009817552 [0,0,0,0,0,2|2,0,0]=4 5224 B13R1.3 C[C@@H](O)COc1ccc(cc1)CO 34a_100000211755_100009817552 [0,0,0,0,0,2|1,0,0]=3 5225 B13R1.3 C[C@@H](O)COc1ccc(nc1)CO 34a_103436540053_100009817552 [0,0,0,0,0,2|2,0,0]=4 5226 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CF 62a_100009817552_100010268989 [0,0,0,0,0,2|2,0,0]=4 5227 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CF 62a_100010268989_100009817552 [0,0,0,0,0,2|2,0,0]=4 5228 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CN 62a_100009817552_100016989417 [0,0,0,0,0,2|2,0,0]=4 5229 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CN 62a_100016989417_100009817552 [0,0,0,0,0,2|2,0,0]=4 5230 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CO 62a_100000690907_100009817552 [0,0,0,0,0,2|1,0,0]=3 5231 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CO 62a_100009817552_100000690907 [0,0,0,0,0,2|1,0,0]=3 5232 B13R1.3 C[C@@H](O)CSc1ccc(cn1)CO 62a_100009816760_100009817552 [0,0,0,0,0,2|2,0,0]=4 5233 B13R1.3 C[C@@H](O)CSc1ccc(cn1)CO 62a_100009817552_100009816760 [0,0,0,0,0,2|2,0,0]=4 5234 B13R1.3 C[C@@H](O)CSc1ccc(nc1)CO 62a_100000754261_100009817552 [0,0,0,0,0,2|2,0,0]=4 5235 B13R1.3 C[C@@H](O)CSc1ccc(nc1)CO 62a_100009817552_100000754261 [0,0,0,0,0,2|2,0,0]=4 5236 B13R1.3 OCc1ccc(cc1)NCC(F)F 2230a_100011215238_100011934356 [0,0,0,0,0,2|2,0,0]=4 5237 B13R1.3 OCc1ccc(cc1)NCC(F)F 34a_100011215238_100011934356 [0,0,0,0,0,2|2,0,0]=4 5238 B13R1.3 OCc1ccc(cc1)OCC(F)F 34a_100000211755_100011934356 [0,0,0,0,0,2|2,0,0]=4 5239 B13R1.3 OCc1ccc(cc1)SCC(F)F 62a_100000690907_100011934356 [0,0,0,0,0,2|2,0,0]=4 5240 B13R1.3 OCc1ccc(cc1)SCC(F)F 62a_100011934356_100000690907 [0,0,0,0,0,2|2,0,0]=4 5241 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)CO 1458a_100000730898_200025704644 [0,0,0,0,0,2|1,0,1]=4