0 B10R1.20 C#Cc1ccccc1NC 34a_100011470550_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.20 C#Cc1ccccc1N[13CH3] 34a_100011470550_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.20 C#Cc1ccccc1OC 34a_200011470546_200000210301 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.20 C#Cc1ccccc1OC 7a_200011470546_200000210301 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.20 C#Cc1ccccc1O[13CH3] 34a_200011470546_200025704644 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.20 C#Cc1ccccc1O[13CH3] 7a_200011470546_200025704644 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.20 C=Cc1ccccc1C#N 271570a_100011290941_100000188569 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.20 C=Cc1ccccc1CN 271570a_100011290941_100000689332 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.20 C=Cc1ccccc1NN 271570a_100011290941_100000241748 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [0,0,0,0,0,0|1,1,0]=2 17 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [0,0,0,0,0,0|1,1,0]=2 18 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [0,0,0,0,0,0|1,1,0]=2 19 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [0,0,0,0,0,0|1,1,0]=2 20 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [0,0,0,0,0,0|1,1,0]=2 21 B10R1.20 C=Cc1cccnc1C#N 271570a_100011290941_100000685805 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.20 C=Cc1cccnc1CN 271570a_100011290941_100020591323 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.20 C=Cc1cccnc1CO 271570a_100011290941_100011996772 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.20 C=Cc1cccnc1NC 271570a_100011290941_100000700899 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.20 C=Cc1cccnc1NN 271570a_100011290941_100011464834 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.20 C=Cc1cccnc1SC 271570a_100011290941_100011465278 [0,0,0,0,0,0|2,1,0]=3 30 B10R1.20 C=Cc1ccncc1C#N 271570a_100011290941_100000687039 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.20 C=Cc1ccncc1C=O 271570a_100011290941_100000050567 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.20 C=Cc1ccncc1CC 271570a_100011290941_100025704421 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.20 C=Cc1ccncc1CO 271570a_100011290941_100000117392 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.20 C=Cc1ccncc1OC 271570a_100011290941_100016988167 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.20 C=Cc1cnccc1C#N 271570a_100011290941_100000684818 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.20 C=Cc1cnccc1C=O 271570a_100011290941_100011934409 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.20 C=Cc1cnccc1CC 271570a_100011290941_100009819861 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.20 C=Cc1cnccc1CN 271570a_100011290941_100020640021 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.20 C=Cc1cnccc1CO 271570a_100011290941_100009873359 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.20 C=Cc1cnccc1NC 271570a_100011290941_100010069531 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.20 C=Cc1cnccc1NN 271570a_100011290941_100013404636 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.20 C=Cc1cncnc1CC 271570a_100011290941_100009816992 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.20 C=Cc1cncnc1NC 271570a_100011290941_200012180720 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.20 C=Cc1cncnc1OC 271570a_100011290941_100000719902 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.20 C=Cc1ncccc1C#N 271570a_100011290941_100000211984 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.20 C=Cc1ncccc1C=O 271570a_100011290941_100009816751 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.20 C=Cc1ncccc1CN 271570a_100011290941_100015189234 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.20 C=Cc1ncccc1CO 271570a_100011290941_100000748726 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.20 C=Cc1ncccc1NC 271570a_100011290941_200011806188 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.20 C=Cc1nccnc1CC 271570a_100011290941_100011995844 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.20 C=Cc1nccnc1NC 271570a_100011290941_100011529439 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.20 C=Cc1nccnc1OC 271570a_100011290941_100000749998 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.20 C=Cc1ncncc1CC 271570a_100011290941_200000100055 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.20 C=Cc1ncncc1OC 271570a_100011290941_100012001275 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [0,0,0,0,0,0|2,0,1]=3 58 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [0,0,0,0,0,0|2,0,1]=3 60 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [0,0,0,0,0,0|2,0,1]=3 61 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [0,0,0,0,0,0|1,0,1]=2 64 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [0,0,0,0,0,0|1,0,1]=2 65 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [0,0,0,0,0,0|1,0,1]=2 66 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [0,0,0,0,0,0|1,0,1]=2 67 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [0,0,0,0,0,0|1,1,1]=3 68 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [0,0,0,0,0,0|1,1,1]=3 69 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [0,0,0,0,0,0|1,1,1]=3 70 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [0,0,0,0,0,0|1,1,1]=3 71 B10R1.20 CCc1ccncc1SC 62a_100009819861_200000210301 [0,0,0,0,0,0|2,1,1]=4 72 B10R1.20 CCc1ccncc1SC 62a_200000210301_100009819861 [0,0,0,0,0,0|2,1,1]=4 73 B10R1.20 CCc1ccncc1S[13CH3] 62a_100009819861_200025704644 [0,0,0,0,0,0|2,1,1]=4 74 B10R1.20 CCc1ccncc1S[13CH3] 62a_200025704644_100009819861 [0,0,0,0,0,0|2,1,1]=4 75 B10R1.20 CCc1cnccc1SC 62a_100025704421_200000210301 [0,0,0,0,0,0|2,1,1]=4 76 B10R1.20 CCc1cnccc1SC 62a_200000210301_100025704421 [0,0,0,0,0,0|2,1,1]=4 77 B10R1.20 CCc1cnccc1S[13CH3] 62a_100025704421_200025704644 [0,0,0,0,0,0|2,1,1]=4 78 B10R1.20 CCc1cnccc1S[13CH3] 62a_200025704644_100025704421 [0,0,0,0,0,0|2,1,1]=4 79 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [0,0,0,0,0,0|2,1,1]=4 80 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [0,0,0,0,0,0|2,1,1]=4 81 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [0,0,0,0,0,0|2,1,1]=4 82 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [0,0,0,0,0,0|2,1,1]=4 83 B10R1.20 CNc1ccccc1C#N 34a_100000211148_200000210301 [0,0,0,0,0,0|2,0,1]=3 84 B10R1.20 CNc1ccccc1CO 34a_100000212039_200000210301 [0,0,0,0,0,0|1,0,2]=3 85 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [0,0,0,0,0,0|2,0,0]=2 86 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [0,0,0,0,0,0|2,0,0]=2 87 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [0,0,0,0,0,0|2,0,0]=2 88 B10R1.20 CNc1ccccc1SC 34a_100000211160_200000210301 [0,0,0,0,0,0|2,1,0]=3 89 B10R1.20 CNc1ccccc1SC 62a_100020606079_200000210301 [0,0,0,0,0,0|2,1,0]=3 90 B10R1.20 CNc1ccccc1SC 62a_200000210301_100020606079 [0,0,0,0,0,0|2,1,0]=3 91 B10R1.20 CNc1ccccc1S[13CH3] 62a_100020606079_200025704644 [0,0,0,0,0,0|2,1,0]=3 92 B10R1.20 CNc1ccccc1S[13CH3] 62a_200025704644_100020606079 [0,0,0,0,0,0|2,1,0]=3 93 B10R1.20 CNc1cccnc1SC 62a_200000210301_200011806188 [0,0,0,0,0,0|3,1,0]=4 94 B10R1.20 CNc1cccnc1S[13CH3] 62a_200025704644_200011806188 [0,0,0,0,0,0|3,1,0]=4 95 B10R1.20 CNc1ccncc1C#N 27a_100102657272_100000687039 [0,0,0,0,0,0|3,0,1]=4 96 B10R1.20 CNc1ccncc1CO 27a_100102657272_100000117392 [0,0,0,0,0,0|2,0,2]=4 97 B10R1.20 CNc1ccncc1SC 62a_100010069531_200000210301 [0,0,0,0,0,0|3,1,0]=4 98 B10R1.20 CNc1ccncc1SC 62a_200000210301_100010069531 [0,0,0,0,0,0|3,1,0]=4 99 B10R1.20 CNc1ccncc1S[13CH3] 62a_100010069531_200025704644 [0,0,0,0,0,0|3,1,0]=4 100 B10R1.20 CNc1ccncc1S[13CH3] 62a_200025704644_100010069531 [0,0,0,0,0,0|3,1,0]=4 101 B10R1.20 CNc1cnccc1C#N 27a_100102657272_100000684818 [0,0,0,0,0,0|3,0,1]=4 102 B10R1.20 CNc1ncccc1C#N 27a_100102657272_100000211984 [0,0,0,0,0,0|3,0,1]=4 103 B10R1.20 CNc1ncccc1SC 62a_100000700899_200000210301 [0,0,0,0,0,0|3,1,0]=4 104 B10R1.20 CNc1ncccc1SC 62a_200000210301_100000700899 [0,0,0,0,0,0|3,1,0]=4 105 B10R1.20 CNc1ncccc1S[13CH3] 62a_100000700899_200025704644 [0,0,0,0,0,0|3,1,0]=4 106 B10R1.20 CNc1ncccc1S[13CH3] 62a_200025704644_100000700899 [0,0,0,0,0,0|3,1,0]=4 107 B10R1.20 CNc1nccnc1OC 27a_100102657272_100009858322 [0,0,0,0,0,0|4,0,0]=4 108 B10R1.20 CNc1ncncc1OC 27a_100102657272_100012001275 [0,0,0,0,0,0|4,0,0]=4 109 B10R1.20 COc1ccccc1C#N 34a_100000211048_200000210301 [0,0,0,0,0,0|1,0,1]=2 110 B10R1.20 COc1ccccc1C#N 7a_100000211048_200000210301 [0,0,0,0,0,0|1,0,1]=2 111 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [0,0,0,0,0,0|1,0,1]=2 112 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [0,0,0,0,0,0|0,0,2]=2 113 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [0,0,0,0,0,0|2,0,0]=2 114 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [0,0,0,0,0,0|2,0,0]=2 115 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [0,0,0,0,0,0|2,0,0]=2 116 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [0,0,0,0,0,0|2,0,0]=2 117 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [0,0,0,0,0,0|2,0,0]=2 118 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [0,0,0,0,0,0|2,0,0]=2 119 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [0,0,0,0,0,0|2,0,0]=2 120 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [0,0,0,0,0,0|2,0,0]=2 121 B10R1.20 COc1cccnc1C#N 34a_100000722750_200000210301 [0,0,0,0,0,0|2,0,1]=3 122 B10R1.20 COc1cccnc1C#N 7a_100000722750_200000210301 [0,0,0,0,0,0|2,0,1]=3 123 B10R1.20 COc1cccnc1CBr 34a_200020655725_200000210301 [0,0,0,0,0,0|2,0,1]=3 124 B10R1.20 COc1cccnc1CBr 7a_200020655725_200000210301 [0,0,0,0,0,0|2,0,1]=3 125 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [0,0,0,0,0,0|1,0,2]=3 126 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [0,0,0,0,0,0|3,0,0]=3 127 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [0,0,0,0,0,0|3,0,0]=3 128 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [0,0,0,0,0,0|3,0,0]=3 129 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [0,0,0,0,0,0|3,0,0]=3 130 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [0,0,0,0,0,0|3,0,0]=3 131 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [0,0,0,0,0,0|3,0,0]=3 132 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [0,0,0,0,0,0|3,0,0]=3 133 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [0,0,0,0,0,0|3,0,0]=3 134 B10R1.20 COc1ccncc1OC 34a_100000101186_200000210301 [0,0,0,0,0,0|3,0,0]=3 135 B10R1.20 COc1ccncc1O[13CH3] 34a_100000101186_200025704644 [0,0,0,0,0,0|3,0,0]=3 136 B10R1.20 COc1ccncc1SC 62a_100011997281_200000210301 [0,0,0,0,0,0|3,0,0]=3 137 B10R1.20 COc1ccncc1SC 62a_200000210301_100011997281 [0,0,0,0,0,0|3,0,0]=3 138 B10R1.20 COc1ccncc1S[13CH3] 62a_100011997281_200025704644 [0,0,0,0,0,0|3,0,0]=3 139 B10R1.20 COc1ccncc1S[13CH3] 62a_200025704644_100011997281 [0,0,0,0,0,0|3,0,0]=3 140 B10R1.20 COc1cnccc1C#N 7a_100012181322_200000210301 [0,0,0,0,0,0|2,0,1]=3 141 B10R1.20 COc1cnccc1CO 34a_100000078615_200000210301 [0,0,0,0,0,0|1,0,2]=3 142 B10R1.20 COc1cnccc1SC 62a_100016988167_200000210301 [0,0,0,0,0,0|3,0,0]=3 143 B10R1.20 COc1cnccc1SC 62a_200000210301_100016988167 [0,0,0,0,0,0|3,0,0]=3 144 B10R1.20 COc1cnccc1S[13CH3] 62a_100016988167_200025704644 [0,0,0,0,0,0|3,0,0]=3 145 B10R1.20 COc1cnccc1S[13CH3] 62a_200025704644_100016988167 [0,0,0,0,0,0|3,0,0]=3 146 B10R1.20 COc1cncnc1SC 62a_100012001275_200000210301 [0,0,0,0,0,0|4,0,0]=4 147 B10R1.20 COc1cncnc1SC 62a_200000210301_100012001275 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.20 COc1cncnc1S[13CH3] 62a_100012001275_200025704644 [0,0,0,0,0,0|4,0,0]=4 149 B10R1.20 COc1cncnc1S[13CH3] 62a_200025704644_100012001275 [0,0,0,0,0,0|4,0,0]=4 150 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [0,0,0,0,0,0|3,0,0]=3 151 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [0,0,0,0,0,0|3,0,0]=3 152 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [0,0,0,0,0,0|3,0,0]=3 153 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [0,0,0,0,0,0|3,0,0]=3 154 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [0,0,0,0,0,0|3,0,0]=3 155 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [0,0,0,0,0,0|3,0,0]=3 156 B10R1.20 COc1nccnc1SC 62a_100009858322_200000210301 [0,0,0,0,0,0|4,0,0]=4 157 B10R1.20 COc1nccnc1SC 62a_200000210301_100000749998 [0,0,0,0,0,0|4,0,0]=4 158 B10R1.20 COc1nccnc1S[13CH3] 62a_100009858322_200025704644 [0,0,0,0,0,0|4,0,0]=4 159 B10R1.20 COc1nccnc1S[13CH3] 62a_200025704644_100000749998 [0,0,0,0,0,0|4,0,0]=4 160 B10R1.20 COc1ncncc1SC 62a_100000719902_200000210301 [0,0,0,0,0,0|4,0,0]=4 161 B10R1.20 COc1ncncc1SC 62a_200000210301_100000719902 [0,0,0,0,0,0|4,0,0]=4 162 B10R1.20 COc1ncncc1S[13CH3] 62a_100000719902_200025704644 [0,0,0,0,0,0|4,0,0]=4 163 B10R1.20 COc1ncncc1S[13CH3] 62a_200025704644_100000719902 [0,0,0,0,0,0|4,0,0]=4 164 B10R1.20 CSc1ccccc1C#N 62a_200000210301_100000188569 [0,0,0,0,0,0|1,1,1]=3 165 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [0,0,0,0,0,0|0,1,0]=1 166 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [0,0,0,0,0,0|0,1,0]=1 167 B10R1.20 CSc1ccccc1CN 62a_100000689332_200000210301 [0,0,0,0,0,0|1,1,1]=3 168 B10R1.20 CSc1ccccc1CN 62a_200000210301_100000689332 [0,0,0,0,0,0|1,1,1]=3 169 B10R1.20 CSc1ccccc1CO 62a_100000187465_200000210301 [0,0,0,0,0,0|0,1,2]=3 170 B10R1.20 CSc1ccccc1CO 62a_200000210301_100000187465 [0,0,0,0,0,0|0,1,2]=3 171 B10R1.20 CSc1ccccc1NN 62a_100000241748_200000210301 [0,0,0,0,0,0|2,1,0]=3 172 B10R1.20 CSc1ccccc1NN 62a_200000210301_100000241748 [0,0,0,0,0,0|2,1,0]=3 173 B10R1.20 CSc1ccccc1N[13CH3] 34a_100000211160_200025704644 [0,0,0,0,0,0|2,1,0]=3 174 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [0,0,0,0,0,0|2,0,0]=2 175 B10R1.20 CSc1ccccc1SC 62a_100011217816_200000210301 [0,0,0,0,0,0|2,1,0]=3 176 B10R1.20 CSc1ccccc1SC 62a_200000210301_100011217816 [0,0,0,0,0,0|2,1,0]=3 177 B10R1.20 CSc1ccccc1S[13CH3] 62a_100011217816_200025704644 [0,0,0,0,0,0|2,1,0]=3 178 B10R1.20 CSc1ccccc1S[13CH3] 62a_200025704644_100011217816 [0,0,0,0,0,0|2,1,0]=3 179 B10R1.20 CSc1cccnc1C#N 62a_200000210301_100000685805 [0,0,0,0,0,0|2,1,1]=4 180 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [0,0,0,0,0,0|1,1,0]=2 181 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [0,0,0,0,0,0|1,1,0]=2 182 B10R1.20 CSc1cccnc1CN 62a_100020591323_200000210301 [0,0,0,0,0,0|2,1,1]=4 183 B10R1.20 CSc1cccnc1CN 62a_200000210301_100020591323 [0,0,0,0,0,0|2,1,1]=4 184 B10R1.20 CSc1cccnc1CO 62a_100011996772_200000210301 [0,0,0,0,0,0|1,1,2]=4 185 B10R1.20 CSc1cccnc1CO 62a_200000210301_100011996772 [0,0,0,0,0,0|1,1,2]=4 186 B10R1.20 CSc1cccnc1NN 62a_100011464834_200000210301 [0,0,0,0,0,0|3,1,0]=4 187 B10R1.20 CSc1cccnc1NN 62a_200000210301_100011464834 [0,0,0,0,0,0|3,1,0]=4 188 B10R1.20 CSc1cccnc1SC 62a_100011465278_200000210301 [0,0,0,0,0,0|3,1,0]=4 189 B10R1.20 CSc1cccnc1SC 62a_200000210301_100011465278 [0,0,0,0,0,0|3,1,0]=4 190 B10R1.20 CSc1ccncc1C#N 62a_200000210301_100000687039 [0,0,0,0,0,0|2,1,1]=4 191 B10R1.20 CSc1ccncc1C=O 62a_100000050567_200000210301 [0,0,0,0,0,0|1,1,0]=2 192 B10R1.20 CSc1ccncc1C=O 62a_200000210301_100000050567 [0,0,0,0,0,0|1,1,0]=2 193 B10R1.20 CSc1ccncc1CO 62a_100000117392_200000210301 [0,0,0,0,0,0|1,1,2]=4 194 B10R1.20 CSc1ccncc1CO 62a_200000210301_100000117392 [0,0,0,0,0,0|1,1,2]=4 195 B10R1.20 CSc1cnccc1C#N 62a_200000210301_100000684818 [0,0,0,0,0,0|2,1,1]=4 196 B10R1.20 CSc1cnccc1C=O 62a_100011934409_200000210301 [0,0,0,0,0,0|1,1,0]=2 197 B10R1.20 CSc1cnccc1C=O 62a_200000210301_100011934409 [0,0,0,0,0,0|1,1,0]=2 198 B10R1.20 CSc1cnccc1CN 62a_100020640021_200000210301 [0,0,0,0,0,0|2,1,1]=4 199 B10R1.20 CSc1cnccc1CN 62a_200000210301_100020640021 [0,0,0,0,0,0|2,1,1]=4 200 B10R1.20 CSc1cnccc1CO 62a_100009873359_200000210301 [0,0,0,0,0,0|1,1,2]=4 201 B10R1.20 CSc1cnccc1CO 62a_200000210301_100009873359 [0,0,0,0,0,0|1,1,2]=4 202 B10R1.20 CSc1cnccc1NN 62a_100013404636_200000210301 [0,0,0,0,0,0|3,1,0]=4 203 B10R1.20 CSc1cnccc1NN 62a_200000210301_100013404636 [0,0,0,0,0,0|3,1,0]=4 204 B10R1.20 CSc1ncccc1C#N 62a_200000210301_100000211984 [0,0,0,0,0,0|2,1,1]=4 205 B10R1.20 CSc1ncccc1C=O 62a_100009816751_200000210301 [0,0,0,0,0,0|1,1,0]=2 206 B10R1.20 CSc1ncccc1C=O 62a_200000210301_100009816751 [0,0,0,0,0,0|1,1,0]=2 207 B10R1.20 CSc1ncccc1CN 62a_100015189234_200000210301 [0,0,0,0,0,0|2,1,1]=4 208 B10R1.20 CSc1ncccc1CN 62a_200000210301_100015189234 [0,0,0,0,0,0|2,1,1]=4 209 B10R1.20 CSc1ncccc1CO 62a_100000748726_200000210301 [0,0,0,0,0,0|1,1,2]=4 210 B10R1.20 CSc1ncccc1CO 62a_200000210301_100000748726 [0,0,0,0,0,0|1,1,2]=4 211 B10R1.20 CSc1ncccc1S[13CH3] 62a_100011465278_200025704644 [0,0,0,0,0,0|3,1,0]=4 212 B10R1.20 CSc1ncccc1S[13CH3] 62a_200025704644_100011465278 [0,0,0,0,0,0|3,1,0]=4 213 B10R1.20 CSc1nccnc1C=O 62a_100000051000_200000210301 [0,0,0,0,0,0|2,1,0]=3 214 B10R1.20 CSc1nccnc1C=O 62a_200000210301_100000051000 [0,0,0,0,0,0|2,1,0]=3 215 B10R1.20 [13CH3]Nc1ccccc1C#N 34a_100000211148_200025704644 [0,0,0,0,0,0|2,0,1]=3 216 B10R1.20 [13CH3]Nc1ccccc1CO 34a_100000212039_200025704644 [0,0,0,0,0,0|1,0,2]=3 217 B10R1.20 [13CH3]Oc1ccccc1C#N 34a_100000211048_200025704644 [0,0,0,0,0,0|1,0,1]=2 218 B10R1.20 [13CH3]Oc1ccccc1C#N 7a_100000211048_200025704644 [0,0,0,0,0,0|1,0,1]=2 219 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [0,0,0,0,0,0|1,0,1]=2 220 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [0,0,0,0,0,0|0,0,2]=2 221 B10R1.20 [13CH3]Oc1cccnc1C#N 34a_100000722750_200025704644 [0,0,0,0,0,0|2,0,1]=3 222 B10R1.20 [13CH3]Oc1cccnc1C#N 7a_100000722750_200025704644 [0,0,0,0,0,0|2,0,1]=3 223 B10R1.20 [13CH3]Oc1cccnc1CBr 34a_200020655725_200025704644 [0,0,0,0,0,0|2,0,1]=3 224 B10R1.20 [13CH3]Oc1cccnc1CBr 7a_200020655725_200025704644 [0,0,0,0,0,0|2,0,1]=3 225 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [0,0,0,0,0,0|1,0,2]=3 226 B10R1.20 [13CH3]Oc1cnccc1C#N 7a_100012181322_200025704644 [0,0,0,0,0,0|2,0,1]=3 227 B10R1.20 [13CH3]Oc1cnccc1CO 34a_100000078615_200025704644 [0,0,0,0,0,0|1,0,2]=3 228 B10R1.20 [13CH3]Sc1ccccc1C#N 62a_200025704644_100000188569 [0,0,0,0,0,0|1,1,1]=3 229 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [0,0,0,0,0,0|0,1,0]=1 230 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [0,0,0,0,0,0|0,1,0]=1 231 B10R1.20 [13CH3]Sc1ccccc1CN 62a_100000689332_200025704644 [0,0,0,0,0,0|1,1,1]=3 232 B10R1.20 [13CH3]Sc1ccccc1CN 62a_200025704644_100000689332 [0,0,0,0,0,0|1,1,1]=3 233 B10R1.20 [13CH3]Sc1ccccc1CO 62a_100000187465_200025704644 [0,0,0,0,0,0|0,1,2]=3 234 B10R1.20 [13CH3]Sc1ccccc1CO 62a_200025704644_100000187465 [0,0,0,0,0,0|0,1,2]=3 235 B10R1.20 [13CH3]Sc1ccccc1NN 62a_100000241748_200025704644 [0,0,0,0,0,0|2,1,0]=3 236 B10R1.20 [13CH3]Sc1ccccc1NN 62a_200025704644_100000241748 [0,0,0,0,0,0|2,1,0]=3 237 B10R1.20 [13CH3]Sc1cccnc1C#N 62a_200025704644_100000685805 [0,0,0,0,0,0|2,1,1]=4 238 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [0,0,0,0,0,0|1,1,0]=2 239 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [0,0,0,0,0,0|1,1,0]=2 240 B10R1.20 [13CH3]Sc1cccnc1CN 62a_100020591323_200025704644 [0,0,0,0,0,0|2,1,1]=4 241 B10R1.20 [13CH3]Sc1cccnc1CN 62a_200025704644_100020591323 [0,0,0,0,0,0|2,1,1]=4 242 B10R1.20 [13CH3]Sc1cccnc1CO 62a_100011996772_200025704644 [0,0,0,0,0,0|1,1,2]=4 243 B10R1.20 [13CH3]Sc1cccnc1CO 62a_200025704644_100011996772 [0,0,0,0,0,0|1,1,2]=4 244 B10R1.20 [13CH3]Sc1cccnc1NN 62a_100011464834_200025704644 [0,0,0,0,0,0|3,1,0]=4 245 B10R1.20 [13CH3]Sc1cccnc1NN 62a_200025704644_100011464834 [0,0,0,0,0,0|3,1,0]=4 246 B10R1.20 [13CH3]Sc1ccncc1C#N 62a_200025704644_100000687039 [0,0,0,0,0,0|2,1,1]=4 247 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_100000050567_200025704644 [0,0,0,0,0,0|1,1,0]=2 248 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_200025704644_100000050567 [0,0,0,0,0,0|1,1,0]=2 249 B10R1.20 [13CH3]Sc1ccncc1CO 62a_100000117392_200025704644 [0,0,0,0,0,0|1,1,2]=4 250 B10R1.20 [13CH3]Sc1ccncc1CO 62a_200025704644_100000117392 [0,0,0,0,0,0|1,1,2]=4 251 B10R1.20 [13CH3]Sc1cnccc1C#N 62a_200025704644_100000684818 [0,0,0,0,0,0|2,1,1]=4 252 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_100011934409_200025704644 [0,0,0,0,0,0|1,1,0]=2 253 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_200025704644_100011934409 [0,0,0,0,0,0|1,1,0]=2 254 B10R1.20 [13CH3]Sc1cnccc1CN 62a_100020640021_200025704644 [0,0,0,0,0,0|2,1,1]=4 255 B10R1.20 [13CH3]Sc1cnccc1CN 62a_200025704644_100020640021 [0,0,0,0,0,0|2,1,1]=4 256 B10R1.20 [13CH3]Sc1cnccc1CO 62a_100009873359_200025704644 [0,0,0,0,0,0|1,1,2]=4 257 B10R1.20 [13CH3]Sc1cnccc1CO 62a_200025704644_100009873359 [0,0,0,0,0,0|1,1,2]=4 258 B10R1.20 [13CH3]Sc1cnccc1NN 62a_100013404636_200025704644 [0,0,0,0,0,0|3,1,0]=4 259 B10R1.20 [13CH3]Sc1cnccc1NN 62a_200025704644_100013404636 [0,0,0,0,0,0|3,1,0]=4 260 B10R1.20 [13CH3]Sc1ncccc1C#N 62a_200025704644_100000211984 [0,0,0,0,0,0|2,1,1]=4 261 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_100009816751_200025704644 [0,0,0,0,0,0|1,1,0]=2 262 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_200025704644_100009816751 [0,0,0,0,0,0|1,1,0]=2 263 B10R1.20 [13CH3]Sc1ncccc1CN 62a_100015189234_200025704644 [0,0,0,0,0,0|2,1,1]=4 264 B10R1.20 [13CH3]Sc1ncccc1CN 62a_200025704644_100015189234 [0,0,0,0,0,0|2,1,1]=4 265 B10R1.20 [13CH3]Sc1ncccc1CO 62a_100000748726_200025704644 [0,0,0,0,0,0|1,1,2]=4 266 B10R1.20 [13CH3]Sc1ncccc1CO 62a_200025704644_100000748726 [0,0,0,0,0,0|1,1,2]=4 267 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_100000051000_200025704644 [0,0,0,0,0,0|2,1,0]=3 268 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_200025704644_100000051000 [0,0,0,0,0,0|2,1,0]=3 269 B9R1.15 C=Cc1c[nH]ccc1=O 271570a_100011290941_100009998708 [1,0,0,0,0,0|2,0,1]=4 270 B9R1.15 C=Cc1c[nH]ccc1=S 271570a_100011290941_200012280681 [1,0,0,0,0,0|2,1,0]=4 271 B9R1.15 C=Cc1ccc[nH]c1=O 271570a_100011290941_100000050042 [1,0,0,0,0,0|2,0,1]=4 272 B9R1.15 C=Cc1cccc[n+]1C 271570a_100011290941_100000212160 [1,0,0,0,0,0|2,0,0]=3 273 B9R1.15 C=Cc1cccc[n+]1[O-] 271570a_100011290941_200000042595 [1,0,0,0,0,0|2,0,1]=4 274 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [1,0,0,0,0,0|2,0,0]=3 275 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [1,0,0,0,0,0|1,0,0]=2 276 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [1,0,0,0,0,0|2,0,0]=3 277 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [1,0,0,0,0,0|2,0,0]=3 278 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [1,0,0,0,0,0|2,0,0]=3 279 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [1,0,0,0,0,0|1,0,0]=2 280 B9R1.15 C=Cc1cccnc1Br 271570a_100011290941_100010202626 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [1,0,0,0,0,0|2,0,0]=3 282 B9R1.15 C=Cc1cccnc1Cl 271570a_100011290941_100000036424 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.15 C=Cc1cccnc1F 271570a_100011290941_100009816115 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.15 C=Cc1cccnc1N 271570a_100011290941_100000045569 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.15 C=Cc1ccncc1Br 271570a_100011290941_100000726257 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [1,0,0,0,0,0|2,0,0]=3 287 B9R1.15 C=Cc1ccncc1Cl 271570a_100011290941_100000708259 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.15 C=Cc1ccncc1F 271570a_100011290941_100000047030 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.15 C=Cc1ccncc1N 271570a_100011290941_100009815883 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [1,0,0,0,0,0|2,0,0]=3 291 B9R1.15 C=Cc1cnccc1Br 271570a_100011290941_100010138639 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [1,0,0,0,0,0|2,0,0]=3 293 B9R1.15 C=Cc1cnccc1Cl 271570a_100011290941_100009995489 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.15 C=Cc1cnccc1F 271570a_100011290941_100009820683 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.15 C=Cc1cnccc1N 271570a_100011290941_100000047001 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.15 C=Cc1cncnc1C 271570a_100011290941_100009819671 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.15 C=Cc1cncnc1O 271570a_100011290941_100000751107 [1,0,0,0,0,0|3,0,0]=4 298 B9R1.15 C=Cc1ncccc1Br 271570a_100011290941_100000696092 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [1,0,0,0,0,0|2,0,0]=3 300 B9R1.15 C=Cc1ncccc1Cl 271570a_100011290941_100011356963 [1,0,0,0,0,0|3,0,0]=4 301 B9R1.15 C=Cc1ncccc1F 271570a_100011290941_100000685392 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.15 C=Cc1ncccc1N 271570a_100011290941_100000688686 [1,0,0,0,0,0|3,0,0]=4 303 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [1,0,0,0,0,0|2,0,0]=3 304 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [1,0,0,0,0,0|3,0,0]=4 305 B9R1.15 C=Cc1ncncc1C 271570a_100011290941_100011998708 [1,0,0,0,0,0|3,0,0]=4 306 B9R1.15 C=Cc1nnccc1C 271570a_100011290941_100000089043 [1,0,0,0,0,0|3,0,0]=4 307 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [1,0,0,0,0,0|1,0,1]=3 308 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [1,0,0,0,0,0|2,0,1]=4 309 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [1,0,0,0,0,0|2,0,1]=4 310 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [1,0,0,0,0,0|2,0,1]=4 311 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [1,0,0,0,0,0|2,0,0]=3 312 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [1,0,0,0,0,0|1,0,1]=3 313 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [1,0,0,0,0,0|2,0,0]=3 314 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [1,0,0,0,0,0|2,0,0]=3 315 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [1,0,0,0,0,0|2,0,0]=3 316 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [1,0,0,0,0,0|1,0,1]=3 317 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [1,0,0,0,0,0|1,0,1]=3 318 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [1,0,0,0,0,0|2,0,1]=4 319 B9R1.15 CNc1ccn[nH]c1=O 27a_100102657272_100000087129 [1,0,0,0,0,0|3,0,0]=4 320 B9R1.15 CNc1ccncc1Br 27a_100102657272_100000726257 [1,0,0,0,0,0|3,0,0]=4 321 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [1,0,0,0,0,0|2,0,1]=4 322 B9R1.15 CNc1ccncc1F 27a_100102657272_100000035921 [1,0,0,0,0,0|3,0,0]=4 323 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [1,0,0,0,0,0|2,0,1]=4 324 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [1,0,0,0,0,0|2,0,1]=4 326 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [1,0,0,0,0,0|1,0,1]=3 327 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [1,0,0,0,0,0|1,0,0]=2 328 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [1,0,0,0,0,0|1,0,0]=2 329 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [1,0,0,0,0,0|0,0,1]=2 330 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [1,0,0,0,0,0|0,0,1]=2 331 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [1,0,0,0,0,0|1,0,0]=2 332 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [1,0,0,0,0,0|1,0,0]=2 333 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [1,0,0,0,0,0|1,0,0]=2 334 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [1,0,0,0,0,0|1,0,0]=2 335 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [1,0,0,0,0,0|1,0,0]=2 336 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [1,0,0,0,0,0|1,0,0]=2 337 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [1,0,0,0,0,0|1,0,0]=2 338 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [1,0,0,0,0,0|1,0,0]=2 339 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [1,0,0,0,0,0|0,0,1]=2 340 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [1,0,0,0,0,0|2,0,0]=3 341 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [1,0,0,0,0,0|2,0,0]=3 342 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [1,0,0,0,0,0|1,0,1]=3 343 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [1,0,0,0,0,0|1,0,1]=3 344 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [1,0,0,0,0,0|2,0,0]=3 345 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [1,0,0,0,0,0|2,0,0]=3 346 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [1,0,0,0,0,0|2,0,0]=3 347 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [1,0,0,0,0,0|2,0,0]=3 348 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [1,0,0,0,0,0|2,0,0]=3 349 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [1,0,0,0,0,0|2,0,0]=3 350 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [1,0,0,0,0,0|2,0,0]=3 351 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [1,0,0,0,0,0|2,0,0]=3 352 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [1,0,0,0,0,0|1,0,1]=3 353 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [1,0,0,0,0,0|1,0,0]=2 354 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [1,0,0,0,0,0|1,0,0]=2 355 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [1,0,0,0,0,0|2,0,0]=3 356 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [1,0,0,0,0,0|1,0,1]=3 357 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [1,0,0,0,0,0|2,0,0]=3 358 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [1,0,0,0,0,0|2,0,0]=3 359 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [1,0,0,0,0,0|1,0,1]=3 360 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [1,0,0,0,0,0|1,0,1]=3 361 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [1,0,0,0,0,0|1,0,1]=3 362 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [1,0,0,0,0,0|2,0,0]=3 363 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [1,0,0,0,0,0|2,0,0]=3 364 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [1,0,0,0,0,0|2,0,0]=3 365 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [1,0,0,0,0,0|1,0,1]=3 366 B9R1.15 COc1cncnc1N 7a_100000112926_200000210301 [1,0,0,0,0,0|3,0,0]=4 367 B9R1.15 COc1cncnc1O 271570a_203496583355_100012001275 [1,0,0,0,0,0|2,0,1]=4 368 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [1,0,0,0,0,0|1,0,0]=2 369 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [1,0,0,0,0,0|2,0,0]=3 370 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [1,0,0,0,0,0|2,0,0]=3 371 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [1,0,0,0,0,0|2,0,0]=3 372 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [1,0,0,0,0,0|1,0,1]=3 373 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [1,0,0,0,0,0|2,0,1]=4 374 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [1,0,0,0,0,0|2,0,1]=4 375 B9R1.15 COc1ncncc1O 271570a_203496583355_100000719902 [1,0,0,0,0,0|2,0,1]=4 376 B9R1.15 CSc1c[nH]ccc1=O 62a_100009998708_200000210301 [1,0,0,0,0,0|1,1,0]=3 377 B9R1.15 CSc1c[nH]ccc1=O 62a_200000210301_100009998708 [1,0,0,0,0,0|1,1,0]=3 378 B9R1.15 CSc1c[nH]ccc1=S 62a_200000210301_200012280681 [1,0,0,0,0,0|1,2,0]=4 379 B9R1.15 CSc1c[nH]ccc1=S 62a_200012280681_200000210301 [1,0,0,0,0,0|1,2,0]=4 380 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [1,0,0,0,0,0|1,1,1]=4 381 B9R1.15 CSc1cccc[n+]1[O-] 62a_200000210301_200000042595 [1,0,0,0,0,0|1,1,1]=4 382 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [1,0,0,0,0,0|1,1,0]=3 383 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [1,0,0,0,0,0|1,1,0]=3 384 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [1,0,0,0,0,0|0,1,1]=3 385 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [1,0,0,0,0,0|0,1,1]=3 386 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [1,0,0,0,0,0|1,1,0]=3 387 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [1,0,0,0,0,0|1,1,0]=3 388 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [1,0,0,0,0,0|1,1,0]=3 389 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [1,0,0,0,0,0|1,1,0]=3 390 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [1,0,0,0,0,0|1,1,0]=3 391 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [1,0,0,0,0,0|1,1,0]=3 392 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [1,0,0,0,0,0|0,1,1]=3 393 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [1,0,0,0,0,0|0,1,1]=3 394 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [1,0,0,0,0,0|0,1,1]=3 395 B9R1.15 CSc1cccnc1Br 62a_100010202626_200000210301 [1,0,0,0,0,0|2,1,0]=4 396 B9R1.15 CSc1cccnc1Br 62a_200000210301_100010202626 [1,0,0,0,0,0|2,1,0]=4 397 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [1,0,0,0,0,0|1,1,1]=4 398 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [1,0,0,0,0,0|1,1,1]=4 399 B9R1.15 CSc1cccnc1Cl 62a_100000036424_200000210301 [1,0,0,0,0,0|2,1,0]=4 400 B9R1.15 CSc1cccnc1Cl 62a_200000210301_100000036424 [1,0,0,0,0,0|2,1,0]=4 401 B9R1.15 CSc1cccnc1F 62a_100009816115_200000210301 [1,0,0,0,0,0|2,1,0]=4 402 B9R1.15 CSc1cccnc1F 62a_200000210301_100009816115 [1,0,0,0,0,0|2,1,0]=4 403 B9R1.15 CSc1cccnc1N 62a_100000045569_200000210301 [1,0,0,0,0,0|2,1,0]=4 404 B9R1.15 CSc1cccnc1N 62a_200000210301_100000045569 [1,0,0,0,0,0|2,1,0]=4 405 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [1,0,0,0,0,0|1,1,1]=4 406 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [1,0,0,0,0,0|1,1,1]=4 407 B9R1.15 CSc1ccn[nH]c1=O 62a_200000210301_100000087129 [1,0,0,0,0,0|2,1,0]=4 408 B9R1.15 CSc1ccncc1Br 62a_100000726257_200000210301 [1,0,0,0,0,0|2,1,0]=4 409 B9R1.15 CSc1ccncc1Br 62a_200000210301_100000726257 [1,0,0,0,0,0|2,1,0]=4 410 B9R1.15 CSc1ccncc1C 62a_100000765111_200000210301 [1,0,0,0,0,0|1,1,1]=4 411 B9R1.15 CSc1ccncc1C 62a_200000210301_100000765111 [1,0,0,0,0,0|1,1,1]=4 412 B9R1.15 CSc1ccncc1Cl 62a_100000708259_200000210301 [1,0,0,0,0,0|2,1,0]=4 413 B9R1.15 CSc1ccncc1Cl 62a_200000210301_100000708259 [1,0,0,0,0,0|2,1,0]=4 414 B9R1.15 CSc1ccncc1F 62a_100000047030_200000210301 [1,0,0,0,0,0|2,1,0]=4 415 B9R1.15 CSc1ccncc1F 62a_200000210301_100000047030 [1,0,0,0,0,0|2,1,0]=4 416 B9R1.15 CSc1ccncc1N 62a_100000756074_200000210301 [1,0,0,0,0,0|2,1,0]=4 417 B9R1.15 CSc1ccncc1N 62a_200000210301_100000756074 [1,0,0,0,0,0|2,1,0]=4 418 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [1,0,0,0,0,0|1,1,1]=4 419 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [1,0,0,0,0,0|1,1,1]=4 420 B9R1.15 CSc1cnccc1Br 62a_100010138639_200000210301 [1,0,0,0,0,0|2,1,0]=4 421 B9R1.15 CSc1cnccc1Br 62a_200000210301_100010138639 [1,0,0,0,0,0|2,1,0]=4 422 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [1,0,0,0,0,0|1,1,1]=4 423 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [1,0,0,0,0,0|1,1,1]=4 424 B9R1.15 CSc1cnccc1Cl 62a_100009995489_200000210301 [1,0,0,0,0,0|2,1,0]=4 425 B9R1.15 CSc1cnccc1Cl 62a_200000210301_100009995489 [1,0,0,0,0,0|2,1,0]=4 426 B9R1.15 CSc1cnccc1F 62a_100009820683_200000210301 [1,0,0,0,0,0|2,1,0]=4 427 B9R1.15 CSc1cnccc1F 62a_200000210301_100009820683 [1,0,0,0,0,0|2,1,0]=4 428 B9R1.15 CSc1cnccc1N 62a_100000047001_200000210301 [1,0,0,0,0,0|2,1,0]=4 429 B9R1.15 CSc1cnccc1N 62a_200000210301_100000047001 [1,0,0,0,0,0|2,1,0]=4 430 B9R1.15 CSc1ncc[nH]c1=O 62a_200000210301_100000763361 [1,0,0,0,0,0|2,1,0]=4 431 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [1,0,0,0,0,0|2,1,0]=4 432 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [1,0,0,0,0,0|2,1,0]=4 433 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [1,0,0,0,0,0|1,1,1]=4 434 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [1,0,0,0,0,0|1,1,1]=4 435 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [1,0,0,0,0,0|2,1,0]=4 436 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [1,0,0,0,0,0|2,1,0]=4 437 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [1,0,0,0,0,0|2,1,0]=4 438 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [1,0,0,0,0,0|2,1,0]=4 439 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [1,0,0,0,0,0|2,1,0]=4 440 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [1,0,0,0,0,0|2,1,0]=4 441 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [1,0,0,0,0,0|1,1,1]=4 442 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [1,0,0,0,0,0|1,1,1]=4 443 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [1,0,0,0,0,0|1,1,1]=4 444 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [1,0,0,0,0,0|1,1,1]=4 445 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [1,0,0,0,0,0|1,0,1]=3 446 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [1,0,0,0,0,0|0,0,1]=2 447 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [1,0,0,0,0,0|0,0,1]=2 448 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [1,0,0,0,0,0|0,1,1]=3 449 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [1,0,0,0,0,0|0,1,1]=3 450 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [1,0,0,0,0,0|1,1,1]=4 451 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [1,0,0,0,0,0|1,1,1]=4 452 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [1,0,0,0,0,0|1,0,1]=3 453 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [1,0,0,0,0,0|1,0,1]=3 454 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [1,0,0,0,0,0|1,1,1]=4 455 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [1,0,0,0,0,0|1,1,1]=4 456 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [1,0,0,0,0,0|1,0,1]=3 457 B9R1.15 Cc1cnccc1S[13CH3] 62a_100000765111_200025704644 [1,0,0,0,0,0|1,1,1]=4 458 B9R1.15 Cc1cnccc1S[13CH3] 62a_200025704644_100000765111 [1,0,0,0,0,0|1,1,1]=4 459 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [1,0,0,0,0,0|1,0,1]=3 460 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [1,0,0,0,0,0|1,0,1]=3 461 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [1,0,0,0,0,0|1,1,1]=4 462 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [1,0,0,0,0,0|1,1,1]=4 463 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [1,0,0,0,0,0|2,0,1]=4 464 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [1,0,0,0,0,0|1,0,1]=3 465 B9R1.15 N#Cc1cccnc1O 271570a_203496583355_100000211984 [1,0,0,0,0,0|2,0,1]=4 466 B9R1.15 N#Cc1ccncc1O 271570a_203496583355_100000684818 [1,0,0,0,0,0|2,0,1]=4 467 B9R1.15 N#Cc1cnccc1O 271570a_203496583355_100000687039 [1,0,0,0,0,0|2,0,1]=4 468 B9R1.15 N#Cc1ncccc1O 271570a_203496583355_100000685805 [1,0,0,0,0,0|2,0,1]=4 469 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [1,0,0,0,0,0|1,0,1]=3 470 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [1,0,0,0,0,0|2,0,1]=4 471 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [1,0,0,0,0,0|2,0,1]=4 472 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [1,0,0,0,0,0|2,0,1]=4 473 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [1,0,0,0,0,0|2,0,0]=3 474 B9R1.15 NNc1ccncc1O 271570a_203496583355_100013404636 [1,0,0,0,0,0|3,0,0]=4 475 B9R1.15 NNc1ncccc1O 271570a_203496583355_100011464834 [1,0,0,0,0,0|3,0,0]=4 476 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [1,0,0,0,0,0|0,0,0]=1 477 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [1,0,0,0,0,0|1,0,0]=2 478 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [1,0,0,0,0,0|1,0,0]=2 479 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [1,0,0,0,0,0|1,0,0]=2 480 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [1,0,0,0,0,0|1,0,0]=2 481 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [1,0,0,0,0,0|0,0,2]=3 482 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [1,0,0,0,0,0|1,0,2]=4 483 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [1,0,0,0,0,0|1,0,2]=4 484 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [1,0,0,0,0,0|1,0,2]=4 485 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [1,0,0,0,0,0|1,0,2]=4 486 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [1,0,0,0,0,0|2,0,0]=3 487 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [1,0,0,0,0,0|2,0,0]=3 488 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [1,0,0,0,0,0|2,0,0]=3 489 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [1,0,0,0,0,0|2,0,0]=3 490 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [1,0,0,0,0,0|1,0,1]=3 491 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [1,0,0,0,0,0|1,0,1]=3 492 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [1,0,0,0,0,0|1,0,0]=2 493 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [1,0,0,0,0,0|1,0,0]=2 494 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [1,0,0,0,0,0|1,0,0]=2 495 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [1,0,0,0,0,0|1,0,0]=2 496 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [1,0,0,0,0,0|1,0,0]=2 497 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [1,0,0,0,0,0|1,0,0]=2 498 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [1,0,0,0,0,0|1,0,0]=2 499 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [1,0,0,0,0,0|1,0,0]=2 500 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [1,0,0,0,0,0|1,0,0]=2 501 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [1,0,0,0,0,0|1,0,0]=2 502 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [1,0,0,0,0,0|2,0,0]=3 503 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [1,0,0,0,0,0|2,0,0]=3 504 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [1,0,0,0,0,0|2,0,0]=3 505 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [1,0,0,0,0,0|2,0,0]=3 506 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [1,0,0,0,0,0|2,0,0]=3 507 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [1,0,0,0,0,0|2,0,0]=3 508 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [1,0,0,0,0,0|2,0,0]=3 509 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [1,0,0,0,0,0|2,0,0]=3 510 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [1,0,0,0,0,0|2,0,0]=3 511 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [1,0,0,0,0,0|2,0,0]=3 512 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [1,0,0,0,0,0|1,0,0]=2 513 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [1,0,0,0,0,0|1,0,0]=2 514 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [1,0,0,0,0,0|2,0,0]=3 515 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [1,0,0,0,0,0|2,0,0]=3 516 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [1,0,0,0,0,0|2,0,0]=3 517 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [1,0,0,0,0,0|2,0,0]=3 518 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [1,0,0,0,0,0|2,0,0]=3 519 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [1,0,0,0,0,0|2,0,0]=3 520 B9R1.15 [13CH3]Oc1cncnc1N 7a_100000112926_200025704644 [1,0,0,0,0,0|3,0,0]=4 521 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [1,0,0,0,0,0|1,0,0]=2 522 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [1,0,0,0,0,0|2,0,0]=3 523 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [1,0,0,0,0,0|2,0,0]=3 524 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [1,0,0,0,0,0|2,0,0]=3 525 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_100009998708_200025704644 [1,0,0,0,0,0|1,1,0]=3 526 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_200025704644_100009998708 [1,0,0,0,0,0|1,1,0]=3 527 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200012280681_200025704644 [1,0,0,0,0,0|1,2,0]=4 528 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200025704644_200012280681 [1,0,0,0,0,0|1,2,0]=4 529 B9R1.15 [13CH3]Sc1cccc[n+]1[O-] 62a_200025704644_200000042595 [1,0,0,0,0,0|1,1,1]=4 530 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [1,0,0,0,0,0|1,1,0]=3 531 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [1,0,0,0,0,0|1,1,0]=3 532 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [1,0,0,0,0,0|1,1,0]=3 533 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [1,0,0,0,0,0|1,1,0]=3 534 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [1,0,0,0,0,0|1,1,0]=3 535 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [1,0,0,0,0,0|1,1,0]=3 536 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [1,0,0,0,0,0|1,1,0]=3 537 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [1,0,0,0,0,0|1,1,0]=3 538 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [1,0,0,0,0,0|0,1,1]=3 539 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [1,0,0,0,0,0|0,1,1]=3 540 B9R1.15 [13CH3]Sc1cccnc1Br 62a_100010202626_200025704644 [1,0,0,0,0,0|2,1,0]=4 541 B9R1.15 [13CH3]Sc1cccnc1Br 62a_200025704644_100010202626 [1,0,0,0,0,0|2,1,0]=4 542 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_100000036424_200025704644 [1,0,0,0,0,0|2,1,0]=4 543 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_200025704644_100000036424 [1,0,0,0,0,0|2,1,0]=4 544 B9R1.15 [13CH3]Sc1cccnc1F 62a_100009816115_200025704644 [1,0,0,0,0,0|2,1,0]=4 545 B9R1.15 [13CH3]Sc1cccnc1F 62a_200025704644_100009816115 [1,0,0,0,0,0|2,1,0]=4 546 B9R1.15 [13CH3]Sc1cccnc1N 62a_100000045569_200025704644 [1,0,0,0,0,0|2,1,0]=4 547 B9R1.15 [13CH3]Sc1cccnc1N 62a_200025704644_100000045569 [1,0,0,0,0,0|2,1,0]=4 548 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [1,0,0,0,0,0|1,1,1]=4 549 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [1,0,0,0,0,0|1,1,1]=4 550 B9R1.15 [13CH3]Sc1ccn[nH]c1=O 62a_200025704644_100000087129 [1,0,0,0,0,0|2,1,0]=4 551 B9R1.15 [13CH3]Sc1ccncc1Br 62a_100000726257_200025704644 [1,0,0,0,0,0|2,1,0]=4 552 B9R1.15 [13CH3]Sc1ccncc1Br 62a_200025704644_100000726257 [1,0,0,0,0,0|2,1,0]=4 553 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_100000708259_200025704644 [1,0,0,0,0,0|2,1,0]=4 554 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_200025704644_100000708259 [1,0,0,0,0,0|2,1,0]=4 555 B9R1.15 [13CH3]Sc1ccncc1F 62a_100000047030_200025704644 [1,0,0,0,0,0|2,1,0]=4 556 B9R1.15 [13CH3]Sc1ccncc1F 62a_200025704644_100000047030 [1,0,0,0,0,0|2,1,0]=4 557 B9R1.15 [13CH3]Sc1ccncc1N 62a_100000756074_200025704644 [1,0,0,0,0,0|2,1,0]=4 558 B9R1.15 [13CH3]Sc1ccncc1N 62a_200025704644_100000756074 [1,0,0,0,0,0|2,1,0]=4 559 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [1,0,0,0,0,0|1,1,1]=4 560 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [1,0,0,0,0,0|1,1,1]=4 561 B9R1.15 [13CH3]Sc1cnccc1Br 62a_100010138639_200025704644 [1,0,0,0,0,0|2,1,0]=4 562 B9R1.15 [13CH3]Sc1cnccc1Br 62a_200025704644_100010138639 [1,0,0,0,0,0|2,1,0]=4 563 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_100009995489_200025704644 [1,0,0,0,0,0|2,1,0]=4 564 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_200025704644_100009995489 [1,0,0,0,0,0|2,1,0]=4 565 B9R1.15 [13CH3]Sc1cnccc1F 62a_100009820683_200025704644 [1,0,0,0,0,0|2,1,0]=4 566 B9R1.15 [13CH3]Sc1cnccc1F 62a_200025704644_100009820683 [1,0,0,0,0,0|2,1,0]=4 567 B9R1.15 [13CH3]Sc1cnccc1N 62a_100000047001_200025704644 [1,0,0,0,0,0|2,1,0]=4 568 B9R1.15 [13CH3]Sc1cnccc1N 62a_200025704644_100000047001 [1,0,0,0,0,0|2,1,0]=4 569 B9R1.15 [13CH3]Sc1ncc[nH]c1=O 62a_200025704644_100000763361 [1,0,0,0,0,0|2,1,0]=4 570 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [1,0,0,0,0,0|2,1,0]=4 571 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [1,0,0,0,0,0|2,1,0]=4 572 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [1,0,0,0,0,0|2,1,0]=4 573 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [1,0,0,0,0,0|2,1,0]=4 574 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [1,0,0,0,0,0|2,1,0]=4 575 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [1,0,0,0,0,0|2,1,0]=4 576 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [1,0,0,0,0,0|2,1,0]=4 577 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [1,0,0,0,0,0|2,1,0]=4 578 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [1,0,0,0,0,0|1,1,1]=4 579 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [1,0,0,0,0,0|1,1,1]=4 580 B11R1.37 C#Cc1cc(ccc1NC)C 34a_200012001881_200000210301 [0,1,0,0,0,0|2,0,1]=4 581 B11R1.37 C#Cc1cc(ccc1N[13CH3])C 34a_200012001881_200025704644 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.37 C=Cc1cc(=O)[nH]cc1OC 271570a_100011290941_100121573661 [0,1,0,0,0,0|2,0,0]=3 583 B11R1.37 C=Cc1cc(ccc1C#N)Br 271570a_100011290941_100010214477 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.37 C=Cc1cc(ccc1C#N)C 271570a_100011290941_100000693804 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.37 C=Cc1cc(ccc1C#N)Cl 271570a_100011290941_100012355178 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.37 C=Cc1cc(ccc1C#N)F 271570a_100011290941_100000747196 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.37 C=Cc1cc(ccc1C#N)N 271570a_100011290941_100000689153 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.37 C=Cc1cc(ccc1C#N)O 271570a_100011290941_100012184851 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.37 C=Cc1cc(ccc1C=O)Br 271570a_100011290941_100010146562 [0,1,0,0,0,0|1,0,1]=3 590 B11R1.37 C=Cc1cc(ccc1C=O)C 271570a_100011290941_100000692596 [0,1,0,0,0,0|1,0,1]=3 591 B11R1.37 C=Cc1cc(ccc1C=O)F 271570a_100011290941_100000752949 [0,1,0,0,0,0|1,0,1]=3 592 B11R1.37 C=Cc1cc(ccc1C=O)O 271570a_100011290941_100011236494 [0,1,0,0,0,0|1,0,1]=3 593 B11R1.37 C=Cc1cc(ccc1CN)F 271570a_100011290941_100000708791 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.37 C=Cc1cc(ccc1CO)Br 271570a_100011290941_100010146605 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.37 C=Cc1cc(ccc1CO)Cl 271570a_100011290941_100000722340 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.37 C=Cc1cc(ccc1CO)F 271570a_100011290941_100000744086 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.37 C=Cc1cc(ccc1CO)O 271570a_100011290941_100010146404 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.37 C=Cc1cc(ccc1NC)C 271570a_100011290941_100000221369 [0,1,0,0,0,0|2,0,0]=3 599 B11R1.37 C=Cc1cc(ccc1NC)F 271570a_100011290941_100011246292 [0,1,0,0,0,0|2,0,0]=3 600 B11R1.37 C=Cc1cc(ccc1NN)C 271570a_100011290941_100016996181 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.37 C=Cc1cc(ccc1OC)Br 271570a_100011290941_100012351588 [0,1,0,0,0,0|1,0,0]=2 602 B11R1.37 C=Cc1cc(ccc1OC)C 271570a_100011290941_100000186399 [0,1,0,0,0,0|1,0,0]=2 603 B11R1.37 C=Cc1cc(ccc1OC)Cl 271570a_100011290941_100011215930 [0,1,0,0,0,0|1,0,0]=2 604 B11R1.37 C=Cc1cc(ccc1OC)F 271570a_100011290941_100000171694 [0,1,0,0,0,0|1,0,0]=2 605 B11R1.37 C=Cc1cc(ccc1OC)N 271570a_100011290941_100000187427 [0,1,0,0,0,0|1,0,0]=2 606 B11R1.37 C=Cc1cc(ccc1OC)O 271570a_100011290941_100010084122 [0,1,0,0,0,0|1,0,0]=2 607 B11R1.37 C=Cc1cc(ccc1SC)C 271570a_100011290941_200010201864 [0,1,0,0,0,0|1,1,0]=3 608 B11R1.37 C=Cc1cc(ccc1SC)F 271570a_100011290941_100009817003 [0,1,0,0,0,0|1,1,0]=3 609 B11R1.37 C=Cc1cc(ccc1SC)F 62a_100012356183_200000210301 [0,1,0,0,0,0|1,1,0]=3 610 B11R1.37 C=Cc1cc(ccc1SC)F 62a_200000210301_100012356183 [0,1,0,0,0,0|1,1,0]=3 611 B11R1.37 C=Cc1cc(ccc1S[13CH3])F 62a_100012356183_200025704644 [0,1,0,0,0,0|1,1,0]=3 612 B11R1.37 C=Cc1cc(ccc1S[13CH3])F 62a_200025704644_100012356183 [0,1,0,0,0,0|1,1,0]=3 613 B11R1.37 C=Cc1cc(cnc1CC)N 271570a_100011290941_100013085292 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.37 C=Cc1cc(cnc1OC)Br 271570a_100011290941_100009814608 [0,1,0,0,0,0|2,0,0]=3 615 B11R1.37 C=Cc1cc(cnc1OC)C 271570a_100011290941_100012353929 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.37 C=Cc1cc(cnc1OC)F 271570a_100011290941_100009828472 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.37 C=Cc1cc(cnc1OC)N 271570a_100011290941_100012351452 [0,1,0,0,0,0|2,0,0]=3 618 B11R1.37 C=Cc1cc(ncc1C=O)F 271570a_100011290941_100009862493 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.37 C=Cc1cc(ncc1CC)C 271570a_100011290941_100010291839 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.37 C=Cc1cc(ncc1OC)C 271570a_100011290941_100010109759 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.37 C=Cc1ccc(cc1C#N)Br 271570a_100011290941_100011219714 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.37 C=Cc1ccc(cc1C#N)C 271570a_100011290941_100011935190 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.37 C=Cc1ccc(cc1C#N)Cl 271570a_100011290941_200011356825 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.37 C=Cc1ccc(cc1C#N)F 271570a_100011290941_100000747550 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.37 C=Cc1ccc(cc1C#N)N 271570a_100011290941_100011934039 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.37 C=Cc1ccc(cc1C#N)O 271570a_100011290941_100009818209 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.37 C=Cc1ccc(cc1C=O)Br 271570a_100011290941_100010185651 [0,1,0,0,0,0|1,0,1]=3 628 B11R1.37 C=Cc1ccc(cc1C=O)C 271570a_100011290941_100011551863 [0,1,0,0,0,0|1,0,1]=3 629 B11R1.37 C=Cc1ccc(cc1C=O)Cl 271570a_100011290941_100010254386 [0,1,0,0,0,0|1,0,1]=3 630 B11R1.37 C=Cc1ccc(cc1C=O)F 271570a_100011290941_100011218309 [0,1,0,0,0,0|1,0,1]=3 631 B11R1.37 C=Cc1ccc(cc1C=O)O 271570a_100011290941_100000690577 [0,1,0,0,0,0|1,0,1]=3 632 B11R1.37 C=Cc1ccc(cc1CC)Br 271570a_100011290941_100011216195 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.37 C=Cc1ccc(cc1CC)N 271570a_100011290941_100010109747 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.37 C=Cc1ccc(cc1CN)F 271570a_100011290941_100000742738 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.37 C=Cc1ccc(cc1CO)Br 271570a_100011290941_100011356890 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.37 C=Cc1ccc(cc1CO)C 271570a_100011290941_100012361352 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.37 C=Cc1ccc(cc1CO)F 271570a_100011290941_100011217561 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.37 C=Cc1ccc(cc1CO)N 271570a_100011290941_100012347228 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.37 C=Cc1ccc(cc1CO)O 271570a_100011290941_100012351483 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.37 C=Cc1ccc(cc1NC)F 271570a_100011290941_100020633008 [0,1,0,0,0,0|2,0,0]=3 641 B11R1.37 C=Cc1ccc(cc1NN)F 271570a_100011290941_100012362518 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.37 C=Cc1ccc(cc1OC)Br 271570a_100011290941_100010245111 [0,1,0,0,0,0|1,0,0]=2 643 B11R1.37 C=Cc1ccc(cc1OC)C 271570a_100011290941_100010200004 [0,1,0,0,0,0|1,0,0]=2 644 B11R1.37 C=Cc1ccc(cc1OC)Cl 271570a_100011290941_100000050115 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.37 C=Cc1ccc(cc1OC)F 271570a_100011290941_100000757151 [0,1,0,0,0,0|1,0,0]=2 646 B11R1.37 C=Cc1ccc(cc1OC)N 271570a_100011290941_100000765947 [0,1,0,0,0,0|1,0,0]=2 647 B11R1.37 C=Cc1ccc(cc1OC)O 271570a_100011290941_100011827694 [0,1,0,0,0,0|1,0,0]=2 648 B11R1.37 C=Cc1ccc(cc1SC)C 271570a_100011290941_200010709736 [0,1,0,0,0,0|1,1,0]=3 649 B11R1.37 C=Cc1ccc(cc1SC)F 62a_100012354420_200000210301 [0,1,0,0,0,0|1,1,0]=3 650 B11R1.37 C=Cc1ccc(cc1SC)F 62a_200000210301_100012354420 [0,1,0,0,0,0|1,1,0]=3 651 B11R1.37 C=Cc1ccc(cc1S[13CH3])F 62a_100012354420_200025704644 [0,1,0,0,0,0|1,1,0]=3 652 B11R1.37 C=Cc1ccc(cc1S[13CH3])F 62a_200025704644_100012354420 [0,1,0,0,0,0|1,1,0]=3 653 B11R1.37 C=Cc1ccc(nc1C=O)C 271570a_100011290941_100010173661 [0,1,0,0,0,0|2,0,1]=4 654 B11R1.37 C=Cc1ccc(nc1OC)C 271570a_100011290941_100010138632 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.37 C=Cc1ccc(nc1OC)N 271570a_100011290941_100010187630 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.37 C=Cc1cnc(cc1OC)C 271570a_100011290941_100000717771 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.37 C=Cc1cnc(cc1OC)Cl 271570a_100011290941_100010154656 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.37 C=Cc1cnc(cc1OC)F 271570a_100011290941_100010135560 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.37 C=Cc1cnc(cc1OC)N 271570a_100011290941_100015506990 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.37 C=Cc1cnc(nc1OC)N 271570a_100011290941_100010240410 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.37 C=Cc1nc(ccc1C=O)C 271570a_100011290941_100000085379 [0,1,0,0,0,0|2,0,1]=4 662 B11R1.37 C=Cc1nc(ccc1C=O)F 271570a_100011290941_100009846357 [0,1,0,0,0,0|2,0,1]=4 663 B11R1.37 C=Cc1nc(ccc1OC)C 271570a_100011290941_100009820875 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.37 C=Cc1nc(ccc1OC)N 271570a_100011290941_100010172607 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.37 C=Cc1ncc(cc1C=O)C 271570a_100011290941_100000050350 [0,1,0,0,0,0|2,0,1]=4 666 B11R1.37 C=Cc1ncc(cc1C=O)F 271570a_100011290941_100000079965 [0,1,0,0,0,0|2,0,1]=4 667 B11R1.37 C=Cc1ncc(cc1OC)C 271570a_100011290941_200000118316 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.37 C=Cc1ncc(cc1OC)F 271570a_100011290941_100009867738 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.37 C=Cc1ncc(cc1OC)N 271570a_100011290941_100000097218 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.37 C=Cc1ncc(cc1SC)C 271570a_100011290941_100010884634 [0,1,0,0,0,0|2,1,0]=4 671 B11R1.37 C=Cc1ncc(nc1OC)Br 271570a_100011290941_100010214903 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.37 C=Cc1ncc(nc1OC)N 271570a_100011290941_100010128448 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.37 CCc1cc(ccc1C=O)O 271570a_203496583355_100010209654 [0,1,0,0,0,0|1,0,0]=2 674 B11R1.37 CCc1cc(ccc1NC)Br 2230a_100000686106_200000210301 [0,1,0,0,0,0|2,0,1]=4 675 B11R1.37 CCc1cc(ccc1NC)Br 34a_100000686106_200000210301 [0,1,0,0,0,0|2,0,1]=4 676 B11R1.37 CCc1cc(ccc1NC)Br 7a_100000686106_200000210301 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.37 CCc1cc(ccc1NC)Cl 2230a_100012017146_200000210301 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.37 CCc1cc(ccc1NC)Cl 34a_100012017146_200000210301 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.37 CCc1cc(ccc1NC)Cl 7a_100012017146_200000210301 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.37 CCc1cc(ccc1NC)I 2230a_100000014069_200000210301 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.37 CCc1cc(ccc1NC)I 34a_100000014069_200000210301 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.37 CCc1cc(ccc1NC)I 7a_100000014069_200000210301 [0,1,0,0,0,0|2,0,1]=4 683 B11R1.37 CCc1cc(ccc1NN)O 271570a_203496583355_100000700371 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.37 CCc1cc(ccc1N[13CH3])Br 2230a_100000686106_200025704644 [0,1,0,0,0,0|2,0,1]=4 685 B11R1.37 CCc1cc(ccc1N[13CH3])Br 34a_100000686106_200025704644 [0,1,0,0,0,0|2,0,1]=4 686 B11R1.37 CCc1cc(ccc1N[13CH3])Br 7a_100000686106_200025704644 [0,1,0,0,0,0|2,0,1]=4 687 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 2230a_100012017146_200025704644 [0,1,0,0,0,0|2,0,1]=4 688 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 34a_100012017146_200025704644 [0,1,0,0,0,0|2,0,1]=4 689 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 7a_100012017146_200025704644 [0,1,0,0,0,0|2,0,1]=4 690 B11R1.37 CCc1cc(ccc1N[13CH3])I 2230a_100000014069_200025704644 [0,1,0,0,0,0|2,0,1]=4 691 B11R1.37 CCc1cc(ccc1N[13CH3])I 34a_100000014069_200025704644 [0,1,0,0,0,0|2,0,1]=4 692 B11R1.37 CCc1cc(ccc1N[13CH3])I 7a_100000014069_200025704644 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [0,1,0,0,0,0|1,0,1]=3 694 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [0,1,0,0,0,0|1,0,1]=3 695 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [0,1,0,0,0,0|1,0,1]=3 696 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [0,1,0,0,0,0|1,0,1]=3 697 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [0,1,0,0,0,0|1,0,1]=3 698 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [0,1,0,0,0,0|1,0,1]=3 699 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [0,1,0,0,0,0|1,0,1]=3 700 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [0,1,0,0,0,0|1,0,1]=3 701 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [0,1,0,0,0,0|1,0,1]=3 702 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [0,1,0,0,0,0|1,0,1]=3 703 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [0,1,0,0,0,0|1,0,1]=3 704 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [0,1,0,0,0,0|1,0,1]=3 705 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [0,1,0,0,0,0|1,0,1]=3 706 B11R1.37 CCc1cc(ccc1SC)Br 62a_100011216195_200000210301 [0,1,0,0,0,0|1,1,1]=4 707 B11R1.37 CCc1cc(ccc1SC)Br 62a_200000210301_100011216195 [0,1,0,0,0,0|1,1,1]=4 708 B11R1.37 CCc1cc(ccc1SC)N 62a_100010109747_200000210301 [0,1,0,0,0,0|1,1,1]=4 709 B11R1.37 CCc1cc(ccc1SC)N 62a_200000210301_100010109747 [0,1,0,0,0,0|1,1,1]=4 710 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_100011216195_200025704644 [0,1,0,0,0,0|1,1,1]=4 711 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_200025704644_100011216195 [0,1,0,0,0,0|1,1,1]=4 712 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_100010109747_200025704644 [0,1,0,0,0,0|1,1,1]=4 713 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_200025704644_100010109747 [0,1,0,0,0,0|1,1,1]=4 714 B11R1.37 CCc1ccc(cc1CO)O 271570a_203496583355_100010766240 [0,1,0,0,0,0|1,0,2]=4 715 B11R1.37 CCc1ccc(cc1NC)Br 2230a_100012354963_200000210301 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.37 CCc1ccc(cc1NC)Br 34a_100012354963_200000210301 [0,1,0,0,0,0|2,0,1]=4 717 B11R1.37 CCc1ccc(cc1NC)Br 7a_100012354963_200000210301 [0,1,0,0,0,0|2,0,1]=4 718 B11R1.37 CCc1ccc(cc1NC)Cl 2230a_200012281948_200000210301 [0,1,0,0,0,0|2,0,1]=4 719 B11R1.37 CCc1ccc(cc1NC)Cl 34a_200012281948_200000210301 [0,1,0,0,0,0|2,0,1]=4 720 B11R1.37 CCc1ccc(cc1NC)Cl 7a_200012281948_200000210301 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.37 CCc1ccc(cc1N[13CH3])Br 2230a_100012354963_200025704644 [0,1,0,0,0,0|2,0,1]=4 722 B11R1.37 CCc1ccc(cc1N[13CH3])Br 34a_100012354963_200025704644 [0,1,0,0,0,0|2,0,1]=4 723 B11R1.37 CCc1ccc(cc1N[13CH3])Br 7a_100012354963_200025704644 [0,1,0,0,0,0|2,0,1]=4 724 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 2230a_200012281948_200025704644 [0,1,0,0,0,0|2,0,1]=4 725 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 34a_200012281948_200025704644 [0,1,0,0,0,0|2,0,1]=4 726 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 7a_200012281948_200025704644 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [0,1,0,0,0,0|1,0,1]=3 728 B11R1.37 CCc1nc(ccc1OC)C 34a_100000718140_200000210301 [0,1,0,0,0,0|2,0,1]=4 729 B11R1.37 CCc1nc(ccc1OC)C 7a_100000718140_200000210301 [0,1,0,0,0,0|2,0,1]=4 730 B11R1.37 CCc1nc(ccc1O[13CH3])C 34a_100000718140_200025704644 [0,1,0,0,0,0|2,0,1]=4 731 B11R1.37 CCc1nc(ccc1O[13CH3])C 7a_100000718140_200025704644 [0,1,0,0,0,0|2,0,1]=4 732 B11R1.37 CNc1cc(ccc1C#N)Br 27a_100102657272_100010214477 [0,1,0,0,0,0|2,0,1]=4 733 B11R1.37 CNc1cc(ccc1C#N)Br 7a_100000699244_200000210301 [0,1,0,0,0,0|2,0,1]=4 734 B11R1.37 CNc1cc(ccc1C#N)C 34a_100011218341_200000210301 [0,1,0,0,0,0|2,0,1]=4 735 B11R1.37 CNc1cc(ccc1C#N)C 7a_100011218341_200000210301 [0,1,0,0,0,0|2,0,1]=4 736 B11R1.37 CNc1cc(ccc1C#N)Cl 27a_100102657272_100012355178 [0,1,0,0,0,0|2,0,1]=4 737 B11R1.37 CNc1cc(ccc1C#N)Cl 34a_100000211392_200000210301 [0,1,0,0,0,0|2,0,1]=4 738 B11R1.37 CNc1cc(ccc1C#N)Cl 7a_100000211392_200000210301 [0,1,0,0,0,0|2,0,1]=4 739 B11R1.37 CNc1cc(ccc1C#N)F 27a_100102657272_100011935285 [0,1,0,0,0,0|2,0,1]=4 740 B11R1.37 CNc1cc(ccc1C#N)F 34a_100011935279_200000210301 [0,1,0,0,0,0|2,0,1]=4 741 B11R1.37 CNc1cc(ccc1C#N)F 7a_100011935279_200000210301 [0,1,0,0,0,0|2,0,1]=4 742 B11R1.37 CNc1cc(ccc1C#N)O 271570a_203496583355_200012356631 [0,1,0,0,0,0|2,0,1]=4 743 B11R1.37 CNc1cc(ccc1CO)Br 34a_100000718831_200000210301 [0,1,0,0,0,0|1,0,2]=4 744 B11R1.37 CNc1cc(ccc1CO)C 34a_100000087799_200000210301 [0,1,0,0,0,0|1,0,2]=4 745 B11R1.37 CNc1cc(ccc1CO)Cl 34a_100000238622_200000210301 [0,1,0,0,0,0|1,0,2]=4 746 B11R1.37 CNc1cc(ccc1CO)F 34a_100011996588_200000210301 [0,1,0,0,0,0|1,0,2]=4 747 B11R1.37 CNc1cc(ccc1OC)Br 34a_100000743470_200000210301 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.37 CNc1cc(ccc1OC)C 2230a_100000210980_200000210301 [0,1,0,0,0,0|2,0,0]=3 749 B11R1.37 CNc1cc(ccc1OC)C 34a_100000210980_200000210301 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.37 CNc1cc(ccc1OC)Cl 34a_100000182114_200000210301 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.37 CNc1cc(ccc1OC)F 34a_100000757179_200000210301 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.37 CNc1cc(ccc1SC)Cl 34a_100000745667_200000210301 [0,1,0,0,0,0|2,1,0]=4 753 B11R1.37 CNc1cc(ccc1SC)F 62a_100020633008_200000210301 [0,1,0,0,0,0|2,1,0]=4 754 B11R1.37 CNc1cc(ccc1SC)F 62a_200000210301_100020633008 [0,1,0,0,0,0|2,1,0]=4 755 B11R1.37 CNc1cc(ccc1S[13CH3])F 62a_100020633008_200025704644 [0,1,0,0,0,0|2,1,0]=4 756 B11R1.37 CNc1cc(ccc1S[13CH3])F 62a_200025704644_100020633008 [0,1,0,0,0,0|2,1,0]=4 757 B11R1.37 CNc1cc(ncc1C=O)F 27a_100102657272_100009862493 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.37 CNc1ccc(cc1C#N)Br 27a_100102657272_100011219714 [0,1,0,0,0,0|2,0,1]=4 759 B11R1.37 CNc1ccc(cc1C#N)Br 7a_100000688460_200000210301 [0,1,0,0,0,0|2,0,1]=4 760 B11R1.37 CNc1ccc(cc1C#N)C 7a_100011934023_200000210301 [0,1,0,0,0,0|2,0,1]=4 761 B11R1.37 CNc1ccc(cc1C#N)Cl 7a_100011219925_200000210301 [0,1,0,0,0,0|2,0,1]=4 762 B11R1.37 CNc1ccc(cc1C#N)F 34a_100000685569_200000210301 [0,1,0,0,0,0|2,0,1]=4 763 B11R1.37 CNc1ccc(cc1C#N)F 7a_100000685569_200000210301 [0,1,0,0,0,0|2,0,1]=4 764 B11R1.37 CNc1ccc(cc1C#N)I 7a_100000049818_200000210301 [0,1,0,0,0,0|2,0,1]=4 765 B11R1.37 CNc1ccc(cc1C#N)O 271570a_203496583355_100013037436 [0,1,0,0,0,0|2,0,1]=4 766 B11R1.37 CNc1ccc(cc1CO)Br 34a_100012353972_200000210301 [0,1,0,0,0,0|1,0,2]=4 767 B11R1.37 CNc1ccc(cc1CO)C 34a_100011215565_200000210301 [0,1,0,0,0,0|1,0,2]=4 768 B11R1.37 CNc1ccc(cc1CO)Cl 34a_100011214999_200000210301 [0,1,0,0,0,0|1,0,2]=4 769 B11R1.37 CNc1ccc(cc1CO)F 34a_100011296978_200000210301 [0,1,0,0,0,0|1,0,2]=4 770 B11R1.37 CNc1ccc(cc1OC)Br 34a_100011279103_200000210301 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.37 CNc1ccc(cc1OC)C 2230a_100000746441_200000210301 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.37 CNc1ccc(cc1OC)C 34a_100000746441_200000210301 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.37 CNc1ccc(cc1OC)Cl 34a_100000707585_200000210301 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.37 CNc1ccc(cc1OC)F 34a_100000737216_200000210301 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.37 CNc1ccc(cc1OC)I 34a_100015196925_200000210301 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.37 CNc1ccc(cc1OC)O 34a_100015326901_200000210301 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.37 CNc1ccc(cc1SC)C 62a_100000221369_200000210301 [0,1,0,0,0,0|2,1,0]=4 778 B11R1.37 CNc1ccc(cc1SC)C 62a_200000210301_100000221369 [0,1,0,0,0,0|2,1,0]=4 779 B11R1.37 CNc1ccc(cc1SC)F 62a_100011246292_200000210301 [0,1,0,0,0,0|2,1,0]=4 780 B11R1.37 CNc1ccc(cc1SC)F 62a_200000210301_100011246292 [0,1,0,0,0,0|2,1,0]=4 781 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_100000221369_200025704644 [0,1,0,0,0,0|2,1,0]=4 782 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_200025704644_100000221369 [0,1,0,0,0,0|2,1,0]=4 783 B11R1.37 CNc1ccc(cc1S[13CH3])F 62a_100011246292_200025704644 [0,1,0,0,0,0|2,1,0]=4 784 B11R1.37 CNc1ccc(cc1S[13CH3])F 62a_200025704644_100011246292 [0,1,0,0,0,0|2,1,0]=4 785 B11R1.37 CNc1nc(ccc1C=O)F 27a_100102657272_100009846357 [0,1,0,0,0,0|2,0,0]=3 786 B11R1.37 COc1c[nH]c(=O)cc1SC 62a_100121573661_200000210301 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.37 COc1c[nH]c(=O)cc1SC 62a_200000210301_100121573661 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.37 COc1c[nH]c(=O)cc1S[13CH3] 62a_100121573661_200025704644 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.37 COc1c[nH]c(=O)cc1S[13CH3] 62a_200025704644_100121573661 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.37 COc1cc(ccc1C#N)Br 34a_100011934713_200000210301 [0,1,0,0,0,0|1,0,1]=3 791 B11R1.37 COc1cc(ccc1C#N)Br 7a_100011934713_200000210301 [0,1,0,0,0,0|1,0,1]=3 792 B11R1.37 COc1cc(ccc1C#N)C 34a_100011640519_200000210301 [0,1,0,0,0,0|1,0,1]=3 793 B11R1.37 COc1cc(ccc1C#N)C 7a_100011640519_200000210301 [0,1,0,0,0,0|1,0,1]=3 794 B11R1.37 COc1cc(ccc1C#N)Cl 34a_100000688488_200000210301 [0,1,0,0,0,0|1,0,1]=3 795 B11R1.37 COc1cc(ccc1C#N)Cl 7a_100000688488_200000210301 [0,1,0,0,0,0|1,0,1]=3 796 B11R1.37 COc1cc(ccc1C#N)F 34a_100012185923_200000210301 [0,1,0,0,0,0|1,0,1]=3 797 B11R1.37 COc1cc(ccc1C#N)F 7a_100012185923_200000210301 [0,1,0,0,0,0|1,0,1]=3 798 B11R1.37 COc1cc(ccc1C#N)N 34a_100000094571_200000210301 [0,1,0,0,0,0|1,0,1]=3 799 B11R1.37 COc1cc(ccc1C#N)N 7a_100000094571_200000210301 [0,1,0,0,0,0|1,0,1]=3 800 B11R1.37 COc1cc(ccc1C#N)O 271570a_203496583355_100000694671 [0,1,0,0,0,0|1,0,1]=3 801 B11R1.37 COc1cc(ccc1C=O)O 271570a_203496583355_100000697075 [0,1,0,0,0,0|0,0,0]=1 802 B11R1.37 COc1cc(ccc1CO)Br 34a_100000071718_200000210301 [0,1,0,0,0,0|0,0,2]=3 803 B11R1.37 COc1cc(ccc1CO)Br 7a_100000071718_200000210301 [0,1,0,0,0,0|0,0,2]=3 804 B11R1.37 COc1cc(ccc1CO)O 271570a_203496583355_100011277633 [0,1,0,0,0,0|0,0,2]=3 805 B11R1.37 COc1cc(ccc1N[13CH3])Br 34a_100011279103_200025704644 [0,1,0,0,0,0|2,0,0]=3 806 B11R1.37 COc1cc(ccc1N[13CH3])C 2230a_100000746441_200025704644 [0,1,0,0,0,0|2,0,0]=3 807 B11R1.37 COc1cc(ccc1N[13CH3])C 34a_100000746441_200025704644 [0,1,0,0,0,0|2,0,0]=3 808 B11R1.37 COc1cc(ccc1N[13CH3])Cl 34a_100000707585_200025704644 [0,1,0,0,0,0|2,0,0]=3 809 B11R1.37 COc1cc(ccc1N[13CH3])F 34a_100000737216_200025704644 [0,1,0,0,0,0|2,0,0]=3 810 B11R1.37 COc1cc(ccc1N[13CH3])I 34a_100015196925_200025704644 [0,1,0,0,0,0|2,0,0]=3 811 B11R1.37 COc1cc(ccc1N[13CH3])O 34a_100015326901_200025704644 [0,1,0,0,0,0|2,0,0]=3 812 B11R1.37 COc1cc(ccc1O[13CH3])Br 34a_100000694246_200025704644 [0,1,0,0,0,0|2,0,0]=3 813 B11R1.37 COc1cc(ccc1O[13CH3])Br 7a_100000694246_200025704644 [0,1,0,0,0,0|2,0,0]=3 814 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [0,1,0,0,0,0|2,0,0]=3 815 B11R1.37 COc1cc(ccc1O[13CH3])Cl 34a_100000033002_200025704644 [0,1,0,0,0,0|2,0,0]=3 816 B11R1.37 COc1cc(ccc1O[13CH3])F 34a_100000036057_200025704644 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.37 COc1cc(ccc1O[13CH3])F 7a_100000036057_200025704644 [0,1,0,0,0,0|2,0,0]=3 818 B11R1.37 COc1cc(ccc1O[13CH3])I 34a_100000049635_200025704644 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.37 COc1cc(ccc1O[13CH3])N 34a_100000726020_200025704644 [0,1,0,0,0,0|2,0,0]=3 820 B11R1.37 COc1cc(ccc1SC)Br 62a_100010245111_200000210301 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.37 COc1cc(ccc1SC)Br 62a_200000210301_100010245111 [0,1,0,0,0,0|2,0,0]=3 822 B11R1.37 COc1cc(ccc1SC)C 62a_100010200004_200000210301 [0,1,0,0,0,0|2,0,0]=3 823 B11R1.37 COc1cc(ccc1SC)C 62a_200000210301_100010200004 [0,1,0,0,0,0|2,0,0]=3 824 B11R1.37 COc1cc(ccc1SC)Cl 62a_100000050115_200000210301 [0,1,0,0,0,0|2,0,0]=3 825 B11R1.37 COc1cc(ccc1SC)Cl 62a_200000210301_100000050115 [0,1,0,0,0,0|2,0,0]=3 826 B11R1.37 COc1cc(ccc1SC)F 62a_100000757151_200000210301 [0,1,0,0,0,0|2,0,0]=3 827 B11R1.37 COc1cc(ccc1SC)F 62a_200000210301_100000757151 [0,1,0,0,0,0|2,0,0]=3 828 B11R1.37 COc1cc(ccc1SC)N 62a_100000765947_200000210301 [0,1,0,0,0,0|2,0,0]=3 829 B11R1.37 COc1cc(ccc1SC)N 62a_200000210301_100000765947 [0,1,0,0,0,0|2,0,0]=3 830 B11R1.37 COc1cc(ccc1SC)O 271570a_203496583355_200011001119 [0,1,0,0,0,0|2,0,0]=3 831 B11R1.37 COc1cc(ccc1SC)O 62a_200000210301_100011827694 [0,1,0,0,0,0|2,0,0]=3 832 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_100010245111_200025704644 [0,1,0,0,0,0|2,0,0]=3 833 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_200025704644_100010245111 [0,1,0,0,0,0|2,0,0]=3 834 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_100010200004_200025704644 [0,1,0,0,0,0|2,0,0]=3 835 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_200025704644_100010200004 [0,1,0,0,0,0|2,0,0]=3 836 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_100000050115_200025704644 [0,1,0,0,0,0|2,0,0]=3 837 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_200025704644_100000050115 [0,1,0,0,0,0|2,0,0]=3 838 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_100000757151_200025704644 [0,1,0,0,0,0|2,0,0]=3 839 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_200025704644_100000757151 [0,1,0,0,0,0|2,0,0]=3 840 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_100000765947_200025704644 [0,1,0,0,0,0|2,0,0]=3 841 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_200025704644_100000765947 [0,1,0,0,0,0|2,0,0]=3 842 B11R1.37 COc1cc(ccc1S[13CH3])O 62a_200025704644_100011827694 [0,1,0,0,0,0|2,0,0]=3 843 B11R1.37 COc1cc(cnc1C#N)Br 34a_200013853302_200000210301 [0,1,0,0,0,0|2,0,1]=4 844 B11R1.37 COc1cc(cnc1C#N)Br 7a_200013853302_200000210301 [0,1,0,0,0,0|2,0,1]=4 845 B11R1.37 COc1cc(cnc1C#N)O 271570a_203496583355_100000719880 [0,1,0,0,0,0|2,0,1]=4 846 B11R1.37 COc1cc(cnc1C=O)O 271570a_203496583355_100010246152 [0,1,0,0,0,0|1,0,0]=2 847 B11R1.37 COc1cc(cnc1CO)O 271570a_203496583355_200010246159 [0,1,0,0,0,0|1,0,2]=4 848 B11R1.37 COc1cc(cnc1OC)Br 34a_100010135713_200000210301 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.37 COc1cc(cnc1OC)Cl 34a_200009845368_200000210301 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.37 COc1cc(cnc1O[13CH3])Cl 34a_200009845368_200025704644 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.37 COc1cc(cnc1SC)C 62a_200000210301_200000118316 [0,1,0,0,0,0|3,0,0]=4 853 B11R1.37 COc1cc(cnc1SC)F 62a_100010136273_200000210301 [0,1,0,0,0,0|3,0,0]=4 854 B11R1.37 COc1cc(cnc1SC)F 62a_200000210301_100009867738 [0,1,0,0,0,0|3,0,0]=4 855 B11R1.37 COc1cc(cnc1SC)N 62a_200000210301_100000097218 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.37 COc1cc(cnc1SC)N 62a_200010291755_200000210301 [0,1,0,0,0,0|3,0,0]=4 857 B11R1.37 COc1cc(cnc1S[13CH3])C 62a_200025704644_200000118316 [0,1,0,0,0,0|3,0,0]=4 858 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_100010136273_200025704644 [0,1,0,0,0,0|3,0,0]=4 859 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_200025704644_100009867738 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200010291755_200025704644 [0,1,0,0,0,0|3,0,0]=4 861 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200025704644_100000097218 [0,1,0,0,0,0|3,0,0]=4 862 B11R1.37 COc1cc(ncc1C#N)O 271570a_203496583355_100009830018 [0,1,0,0,0,0|2,0,1]=4 863 B11R1.37 COc1cc(ncc1CO)O 271570a_203496583355_100010714672 [0,1,0,0,0,0|1,0,2]=4 864 B11R1.37 COc1cc(ncc1SC)C 62a_100000717771_200000210301 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.37 COc1cc(ncc1SC)C 62a_200000210301_100000717771 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.37 COc1cc(ncc1SC)Cl 62a_100010154656_200000210301 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.37 COc1cc(ncc1SC)Cl 62a_200000210301_100010154656 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.37 COc1cc(ncc1SC)F 62a_100010135560_200000210301 [0,1,0,0,0,0|3,0,0]=4 869 B11R1.37 COc1cc(ncc1SC)F 62a_200000210301_100010135560 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.37 COc1cc(ncc1SC)N 62a_100015506990_200000210301 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.37 COc1cc(ncc1SC)N 62a_200000210301_100015506990 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.37 COc1cc(ncc1S[13CH3])C 62a_100000717771_200025704644 [0,1,0,0,0,0|3,0,0]=4 873 B11R1.37 COc1cc(ncc1S[13CH3])C 62a_200025704644_100000717771 [0,1,0,0,0,0|3,0,0]=4 874 B11R1.37 COc1cc(ncc1S[13CH3])Cl 62a_100010154656_200025704644 [0,1,0,0,0,0|3,0,0]=4 875 B11R1.37 COc1cc(ncc1S[13CH3])Cl 62a_200025704644_100010154656 [0,1,0,0,0,0|3,0,0]=4 876 B11R1.37 COc1cc(ncc1S[13CH3])F 62a_100010135560_200025704644 [0,1,0,0,0,0|3,0,0]=4 877 B11R1.37 COc1cc(ncc1S[13CH3])F 62a_200025704644_100010135560 [0,1,0,0,0,0|3,0,0]=4 878 B11R1.37 COc1cc(ncc1S[13CH3])N 62a_100015506990_200025704644 [0,1,0,0,0,0|3,0,0]=4 879 B11R1.37 COc1cc(ncc1S[13CH3])N 62a_200025704644_100015506990 [0,1,0,0,0,0|3,0,0]=4 880 B11R1.37 COc1ccc(cc1C#N)Br 34a_100000687585_200000210301 [0,1,0,0,0,0|1,0,1]=3 881 B11R1.37 COc1ccc(cc1C#N)Br 7a_100000687585_200000210301 [0,1,0,0,0,0|1,0,1]=3 882 B11R1.37 COc1ccc(cc1C#N)C 34a_200012180384_200000210301 [0,1,0,0,0,0|1,0,1]=3 883 B11R1.37 COc1ccc(cc1C#N)C 7a_200012180384_200000210301 [0,1,0,0,0,0|1,0,1]=3 884 B11R1.37 COc1ccc(cc1C#N)Cl 34a_100011219380_200000210301 [0,1,0,0,0,0|1,0,1]=3 885 B11R1.37 COc1ccc(cc1C#N)Cl 7a_100011219380_200000210301 [0,1,0,0,0,0|1,0,1]=3 886 B11R1.37 COc1ccc(cc1C#N)F 34a_100011900173_200000210301 [0,1,0,0,0,0|1,0,1]=3 887 B11R1.37 COc1ccc(cc1C#N)F 7a_100011900173_200000210301 [0,1,0,0,0,0|1,0,1]=3 888 B11R1.37 COc1ccc(cc1C#N)I 34a_200000049958_200000210301 [0,1,0,0,0,0|1,0,1]=3 889 B11R1.37 COc1ccc(cc1C#N)I 7a_200000049958_200000210301 [0,1,0,0,0,0|1,0,1]=3 890 B11R1.37 COc1ccc(cc1C#N)N 34a_100011249283_200000210301 [0,1,0,0,0,0|1,0,1]=3 891 B11R1.37 COc1ccc(cc1C#N)N 7a_100011249283_200000210301 [0,1,0,0,0,0|1,0,1]=3 892 B11R1.37 COc1ccc(cc1C#N)O 271570a_203496583355_100000188252 [0,1,0,0,0,0|1,0,1]=3 893 B11R1.37 COc1ccc(cc1C=O)O 271570a_203496583355_100000170026 [0,1,0,0,0,0|0,0,0]=1 894 B11R1.37 COc1ccc(cc1CBr)F 34a_100010161318_200000210301 [0,1,0,0,0,0|1,0,1]=3 895 B11R1.37 COc1ccc(cc1CBr)F 7a_100010161318_200000210301 [0,1,0,0,0,0|1,0,1]=3 896 B11R1.37 COc1ccc(cc1CN)Br 34a_100000730032_200000210301 [0,1,0,0,0,0|1,0,1]=3 897 B11R1.37 COc1ccc(cc1CN)Cl 34a_100000238540_200000210301 [0,1,0,0,0,0|1,0,1]=3 898 B11R1.37 COc1ccc(cc1CN)O 271570a_203496583355_100000690498 [0,1,0,0,0,0|1,0,1]=3 899 B11R1.37 COc1ccc(cc1CO)Br 34a_100000184703_200000210301 [0,1,0,0,0,0|0,0,2]=3 900 B11R1.37 COc1ccc(cc1CO)Br 7a_100000184703_200000210301 [0,1,0,0,0,0|0,0,2]=3 901 B11R1.37 COc1ccc(cc1CO)C 34a_200011846009_200000210301 [0,1,0,0,0,0|0,0,2]=3 902 B11R1.37 COc1ccc(cc1CO)C 7a_200011846009_200000210301 [0,1,0,0,0,0|0,0,2]=3 903 B11R1.37 COc1ccc(cc1CO)Cl 34a_100011218961_200000210301 [0,1,0,0,0,0|0,0,2]=3 904 B11R1.37 COc1ccc(cc1CO)Cl 7a_100011218961_200000210301 [0,1,0,0,0,0|0,0,2]=3 905 B11R1.37 COc1ccc(cc1CO)F 34a_100011291448_200000210301 [0,1,0,0,0,0|0,0,2]=3 906 B11R1.37 COc1ccc(cc1CO)F 7a_100011291448_200000210301 [0,1,0,0,0,0|0,0,2]=3 907 B11R1.37 COc1ccc(cc1CO)I 34a_100000049520_200000210301 [0,1,0,0,0,0|0,0,2]=3 908 B11R1.37 COc1ccc(cc1CO)I 7a_100000049520_200000210301 [0,1,0,0,0,0|0,0,2]=3 909 B11R1.37 COc1ccc(cc1CO)O 271570a_203496583355_100000204679 [0,1,0,0,0,0|0,0,2]=3 910 B11R1.37 COc1ccc(cc1N[13CH3])Br 34a_100000743470_200025704644 [0,1,0,0,0,0|2,0,0]=3 911 B11R1.37 COc1ccc(cc1N[13CH3])C 2230a_100000210980_200025704644 [0,1,0,0,0,0|2,0,0]=3 912 B11R1.37 COc1ccc(cc1N[13CH3])C 34a_100000210980_200025704644 [0,1,0,0,0,0|2,0,0]=3 913 B11R1.37 COc1ccc(cc1N[13CH3])Cl 34a_100000182114_200025704644 [0,1,0,0,0,0|2,0,0]=3 914 B11R1.37 COc1ccc(cc1N[13CH3])F 34a_100000757179_200025704644 [0,1,0,0,0,0|2,0,0]=3 915 B11R1.37 COc1ccc(cc1OC)Br 34a_100000694246_200000210301 [0,1,0,0,0,0|2,0,0]=3 916 B11R1.37 COc1ccc(cc1OC)Br 34a_100009816560_200000210301 [0,1,0,0,0,0|2,0,0]=3 917 B11R1.37 COc1ccc(cc1OC)Br 7a_100000694246_200000210301 [0,1,0,0,0,0|2,0,0]=3 918 B11R1.37 COc1ccc(cc1OC)Br 7a_100009816560_200000210301 [0,1,0,0,0,0|2,0,0]=3 919 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [0,1,0,0,0,0|2,0,0]=3 920 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [0,1,0,0,0,0|2,0,0]=3 921 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [0,1,0,0,0,0|2,0,0]=3 922 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000033002_200000210301 [0,1,0,0,0,0|2,0,0]=3 923 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000101779_200000210301 [0,1,0,0,0,0|2,0,0]=3 924 B11R1.37 COc1ccc(cc1OC)Cl 7a_100000101779_200000210301 [0,1,0,0,0,0|2,0,0]=3 925 B11R1.37 COc1ccc(cc1OC)F 34a_100000034962_200000210301 [0,1,0,0,0,0|2,0,0]=3 926 B11R1.37 COc1ccc(cc1OC)F 34a_100000036057_200000210301 [0,1,0,0,0,0|2,0,0]=3 927 B11R1.37 COc1ccc(cc1OC)F 7a_100000034962_200000210301 [0,1,0,0,0,0|2,0,0]=3 928 B11R1.37 COc1ccc(cc1OC)F 7a_100000036057_200000210301 [0,1,0,0,0,0|2,0,0]=3 929 B11R1.37 COc1ccc(cc1OC)I 34a_100000049635_200000210301 [0,1,0,0,0,0|2,0,0]=3 930 B11R1.37 COc1ccc(cc1OC)N 34a_100000211920_200000210301 [0,1,0,0,0,0|2,0,0]=3 931 B11R1.37 COc1ccc(cc1OC)N 34a_100000726020_200000210301 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.37 COc1ccc(cc1OC)O 271570a_203496583355_100000187503 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.37 COc1ccc(cc1O[13CH3])Br 34a_100009816560_200025704644 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.37 COc1ccc(cc1O[13CH3])Br 7a_100009816560_200025704644 [0,1,0,0,0,0|2,0,0]=3 935 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [0,1,0,0,0,0|2,0,0]=3 936 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [0,1,0,0,0,0|2,0,0]=3 937 B11R1.37 COc1ccc(cc1O[13CH3])Cl 34a_100000101779_200025704644 [0,1,0,0,0,0|2,0,0]=3 938 B11R1.37 COc1ccc(cc1O[13CH3])Cl 7a_100000101779_200025704644 [0,1,0,0,0,0|2,0,0]=3 939 B11R1.37 COc1ccc(cc1O[13CH3])F 34a_100000034962_200025704644 [0,1,0,0,0,0|2,0,0]=3 940 B11R1.37 COc1ccc(cc1O[13CH3])F 7a_100000034962_200025704644 [0,1,0,0,0,0|2,0,0]=3 941 B11R1.37 COc1ccc(cc1O[13CH3])N 34a_100000211920_200025704644 [0,1,0,0,0,0|2,0,0]=3 942 B11R1.37 COc1ccc(cc1SC)Br 62a_100012351588_200000210301 [0,1,0,0,0,0|2,0,0]=3 943 B11R1.37 COc1ccc(cc1SC)Br 62a_200000210301_100012351588 [0,1,0,0,0,0|2,0,0]=3 944 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [0,1,0,0,0,0|2,0,0]=3 945 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [0,1,0,0,0,0|2,0,0]=3 946 B11R1.37 COc1ccc(cc1SC)Cl 62a_100011215930_200000210301 [0,1,0,0,0,0|2,0,0]=3 947 B11R1.37 COc1ccc(cc1SC)Cl 62a_200000210301_100011215930 [0,1,0,0,0,0|2,0,0]=3 948 B11R1.37 COc1ccc(cc1SC)F 62a_100000171694_200000210301 [0,1,0,0,0,0|2,0,0]=3 949 B11R1.37 COc1ccc(cc1SC)F 62a_200000210301_100000171694 [0,1,0,0,0,0|2,0,0]=3 950 B11R1.37 COc1ccc(cc1SC)N 62a_100011356947_200000210301 [0,1,0,0,0,0|2,0,0]=3 951 B11R1.37 COc1ccc(cc1SC)N 62a_200000210301_100011356947 [0,1,0,0,0,0|2,0,0]=3 952 B11R1.37 COc1ccc(cc1SC)O 271570a_203496583355_200009892704 [0,1,0,0,0,0|2,0,0]=3 953 B11R1.37 COc1ccc(cc1SC)O 62a_100010234764_200000210301 [0,1,0,0,0,0|2,0,0]=3 954 B11R1.37 COc1ccc(cc1SC)O 62a_200000210301_100010234764 [0,1,0,0,0,0|2,0,0]=3 955 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_100012351588_200025704644 [0,1,0,0,0,0|2,0,0]=3 956 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_200025704644_100012351588 [0,1,0,0,0,0|2,0,0]=3 957 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [0,1,0,0,0,0|2,0,0]=3 958 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [0,1,0,0,0,0|2,0,0]=3 959 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_100011215930_200025704644 [0,1,0,0,0,0|2,0,0]=3 960 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011215930 [0,1,0,0,0,0|2,0,0]=3 961 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_100000171694_200025704644 [0,1,0,0,0,0|2,0,0]=3 962 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_200025704644_100000171694 [0,1,0,0,0,0|2,0,0]=3 963 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_100011356947_200025704644 [0,1,0,0,0,0|2,0,0]=3 964 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_200025704644_100011356947 [0,1,0,0,0,0|2,0,0]=3 965 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_100010234764_200025704644 [0,1,0,0,0,0|2,0,0]=3 966 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_200025704644_100010234764 [0,1,0,0,0,0|2,0,0]=3 967 B11R1.37 COc1ccc(nc1C#N)O 271570a_203496583355_100011093937 [0,1,0,0,0,0|2,0,1]=4 968 B11R1.37 COc1ccc(nc1CCl)C 34a_100020630696_200000210301 [0,1,0,0,0,0|2,0,1]=4 969 B11R1.37 COc1ccc(nc1CCl)C 7a_100020630696_200000210301 [0,1,0,0,0,0|2,0,1]=4 970 B11R1.37 COc1ccc(nc1CO)C 34a_100000751967_200000210301 [0,1,0,0,0,0|1,0,2]=4 971 B11R1.37 COc1ccc(nc1OC)Br 34a_100010893133_200000210301 [0,1,0,0,0,0|3,0,0]=4 972 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [0,1,0,0,0,0|3,0,0]=4 973 B11R1.37 COc1ccc(nc1SC)C 62a_100009820875_200000210301 [0,1,0,0,0,0|3,0,0]=4 974 B11R1.37 COc1ccc(nc1SC)C 62a_200000210301_100009820875 [0,1,0,0,0,0|3,0,0]=4 975 B11R1.37 COc1ccc(nc1SC)N 62a_100010172607_200000210301 [0,1,0,0,0,0|3,0,0]=4 976 B11R1.37 COc1ccc(nc1SC)N 62a_200000210301_100010172607 [0,1,0,0,0,0|3,0,0]=4 977 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_100009820875_200025704644 [0,1,0,0,0,0|3,0,0]=4 978 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_200025704644_100009820875 [0,1,0,0,0,0|3,0,0]=4 979 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_100010172607_200025704644 [0,1,0,0,0,0|3,0,0]=4 980 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_200025704644_100010172607 [0,1,0,0,0,0|3,0,0]=4 981 B11R1.37 COc1cnc(cc1OC)Br 34a_100010264082_200000210301 [0,1,0,0,0,0|3,0,0]=4 982 B11R1.37 COc1cnc(cc1OC)Cl 34a_100009849459_200000210301 [0,1,0,0,0,0|3,0,0]=4 983 B11R1.37 COc1cnc(cc1O[13CH3])Br 34a_100010264082_200025704644 [0,1,0,0,0,0|3,0,0]=4 984 B11R1.37 COc1cnc(cc1O[13CH3])Cl 34a_100009849459_200025704644 [0,1,0,0,0,0|3,0,0]=4 985 B11R1.37 COc1cnc(cc1SC)C 62a_100010109759_200000210301 [0,1,0,0,0,0|3,0,0]=4 986 B11R1.37 COc1cnc(cc1SC)C 62a_200000210301_100010109759 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.37 COc1cnc(cc1S[13CH3])C 62a_100010109759_200025704644 [0,1,0,0,0,0|3,0,0]=4 988 B11R1.37 COc1cnc(cc1S[13CH3])C 62a_200025704644_100010109759 [0,1,0,0,0,0|3,0,0]=4 989 B11R1.37 COc1nc(ccc1C#N)O 271570a_203496583355_100000708423 [0,1,0,0,0,0|2,0,1]=4 990 B11R1.37 COc1nc(ccc1C=O)O 271570a_203496583355_100009864722 [0,1,0,0,0,0|1,0,0]=2 991 B11R1.37 COc1nc(ccc1CN)O 271570a_203496583355_100015687481 [0,1,0,0,0,0|2,0,1]=4 992 B11R1.37 COc1nc(ccc1CO)O 271570a_203496583355_100010988397 [0,1,0,0,0,0|1,0,2]=4 993 B11R1.37 COc1nc(ccc1O[13CH3])Br 34a_100010893133_200025704644 [0,1,0,0,0,0|3,0,0]=4 994 B11R1.37 COc1nc(ccc1SC)C 62a_100010138632_200000210301 [0,1,0,0,0,0|3,0,0]=4 995 B11R1.37 COc1nc(ccc1SC)C 62a_200000210301_100010138632 [0,1,0,0,0,0|3,0,0]=4 996 B11R1.37 COc1nc(ccc1SC)N 62a_100010187630_200000210301 [0,1,0,0,0,0|3,0,0]=4 997 B11R1.37 COc1nc(ccc1SC)N 62a_200000210301_100010187630 [0,1,0,0,0,0|3,0,0]=4 998 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_100010138632_200025704644 [0,1,0,0,0,0|3,0,0]=4 999 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_200025704644_100010138632 [0,1,0,0,0,0|3,0,0]=4 1000 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_100010187630_200025704644 [0,1,0,0,0,0|3,0,0]=4 1001 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_200025704644_100010187630 [0,1,0,0,0,0|3,0,0]=4 1002 B11R1.37 COc1ncc(cc1C#N)O 271570a_203496583355_100011935052 [0,1,0,0,0,0|2,0,1]=4 1003 B11R1.37 COc1ncc(cc1C=O)O 271570a_203496583355_100009814609 [0,1,0,0,0,0|1,0,0]=2 1004 B11R1.37 COc1ncc(cc1CO)O 271570a_203496583355_100000695684 [0,1,0,0,0,0|1,0,2]=4 1005 B11R1.37 COc1ncc(cc1O[13CH3])Br 34a_100010135713_200025704644 [0,1,0,0,0,0|3,0,0]=4 1006 B11R1.37 COc1ncc(cc1SC)Br 62a_100009814608_200000210301 [0,1,0,0,0,0|3,0,0]=4 1007 B11R1.37 COc1ncc(cc1SC)Br 62a_200000210301_100009814608 [0,1,0,0,0,0|3,0,0]=4 1008 B11R1.37 COc1ncc(cc1SC)C 62a_100012353929_200000210301 [0,1,0,0,0,0|3,0,0]=4 1009 B11R1.37 COc1ncc(cc1SC)C 62a_200000210301_100012353929 [0,1,0,0,0,0|3,0,0]=4 1010 B11R1.37 COc1ncc(cc1SC)F 62a_100009828472_200000210301 [0,1,0,0,0,0|3,0,0]=4 1011 B11R1.37 COc1ncc(cc1SC)F 62a_200000210301_100009828472 [0,1,0,0,0,0|3,0,0]=4 1012 B11R1.37 COc1ncc(cc1SC)N 62a_100012351452_200000210301 [0,1,0,0,0,0|3,0,0]=4 1013 B11R1.37 COc1ncc(cc1SC)N 62a_200000210301_100012351452 [0,1,0,0,0,0|3,0,0]=4 1014 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_100009814608_200025704644 [0,1,0,0,0,0|3,0,0]=4 1015 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_200025704644_100009814608 [0,1,0,0,0,0|3,0,0]=4 1016 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_100012353929_200025704644 [0,1,0,0,0,0|3,0,0]=4 1017 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_200025704644_100012353929 [0,1,0,0,0,0|3,0,0]=4 1018 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_100009828472_200025704644 [0,1,0,0,0,0|3,0,0]=4 1019 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_200025704644_100009828472 [0,1,0,0,0,0|3,0,0]=4 1020 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_100012351452_200025704644 [0,1,0,0,0,0|3,0,0]=4 1021 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_200025704644_100012351452 [0,1,0,0,0,0|3,0,0]=4 1022 B11R1.37 CSc1cc(ccc1C#N)Br 62a_200000210301_100010214477 [0,1,0,0,0,0|1,1,1]=4 1023 B11R1.37 CSc1cc(ccc1C#N)C 62a_200000210301_100000693804 [0,1,0,0,0,0|1,1,1]=4 1024 B11R1.37 CSc1cc(ccc1C#N)Cl 62a_200000210301_100012355178 [0,1,0,0,0,0|1,1,1]=4 1025 B11R1.37 CSc1cc(ccc1C#N)F 62a_200000210301_100011935285 [0,1,0,0,0,0|1,1,1]=4 1026 B11R1.37 CSc1cc(ccc1C#N)N 62a_200000210301_100000689153 [0,1,0,0,0,0|1,1,1]=4 1027 B11R1.37 CSc1cc(ccc1C#N)O 62a_200000210301_100012184851 [0,1,0,0,0,0|1,1,1]=4 1028 B11R1.37 CSc1cc(ccc1C=O)Br 62a_100010146562_200000210301 [0,1,0,0,0,0|0,1,0]=2 1029 B11R1.37 CSc1cc(ccc1C=O)Br 62a_200000210301_100010146562 [0,1,0,0,0,0|0,1,0]=2 1030 B11R1.37 CSc1cc(ccc1C=O)C 62a_100011935181_200000210301 [0,1,0,0,0,0|0,1,0]=2 1031 B11R1.37 CSc1cc(ccc1C=O)C 62a_200000210301_100011935181 [0,1,0,0,0,0|0,1,0]=2 1032 B11R1.37 CSc1cc(ccc1C=O)F 62a_100000752949_200000210301 [0,1,0,0,0,0|0,1,0]=2 1033 B11R1.37 CSc1cc(ccc1C=O)F 62a_200000210301_100000752949 [0,1,0,0,0,0|0,1,0]=2 1034 B11R1.37 CSc1cc(ccc1C=O)O 62a_100011236494_200000210301 [0,1,0,0,0,0|0,1,0]=2 1035 B11R1.37 CSc1cc(ccc1C=O)O 62a_200000210301_100011236494 [0,1,0,0,0,0|0,1,0]=2 1036 B11R1.37 CSc1cc(ccc1CN)F 62a_100000708791_200000210301 [0,1,0,0,0,0|1,1,1]=4 1037 B11R1.37 CSc1cc(ccc1CN)F 62a_200000210301_100000708791 [0,1,0,0,0,0|1,1,1]=4 1038 B11R1.37 CSc1cc(ccc1CO)Br 62a_100010146605_200000210301 [0,1,0,0,0,0|0,1,2]=4 1039 B11R1.37 CSc1cc(ccc1CO)Br 62a_200000210301_100010146605 [0,1,0,0,0,0|0,1,2]=4 1040 B11R1.37 CSc1cc(ccc1CO)Cl 62a_100000722340_200000210301 [0,1,0,0,0,0|0,1,2]=4 1041 B11R1.37 CSc1cc(ccc1CO)Cl 62a_200000210301_100000722340 [0,1,0,0,0,0|0,1,2]=4 1042 B11R1.37 CSc1cc(ccc1CO)F 62a_100000744086_200000210301 [0,1,0,0,0,0|0,1,2]=4 1043 B11R1.37 CSc1cc(ccc1CO)F 62a_200000210301_100000744086 [0,1,0,0,0,0|0,1,2]=4 1044 B11R1.37 CSc1cc(ccc1CO)O 62a_100010146404_200000210301 [0,1,0,0,0,0|0,1,2]=4 1045 B11R1.37 CSc1cc(ccc1CO)O 62a_200000210301_100010146404 [0,1,0,0,0,0|0,1,2]=4 1046 B11R1.37 CSc1cc(ccc1NN)C 62a_100016996181_200000210301 [0,1,0,0,0,0|2,1,0]=4 1047 B11R1.37 CSc1cc(ccc1NN)C 62a_200000210301_100016996181 [0,1,0,0,0,0|2,1,0]=4 1048 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200010709736_200025704644 [0,1,0,0,0,0|2,1,0]=4 1049 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200025704644_200010709736 [0,1,0,0,0,0|2,1,0]=4 1050 B11R1.37 CSc1cc(ncc1C=O)F 62a_100009862493_200000210301 [0,1,0,0,0,0|1,1,0]=3 1051 B11R1.37 CSc1cc(ncc1C=O)F 62a_200000210301_100009862493 [0,1,0,0,0,0|1,1,0]=3 1052 B11R1.37 CSc1ccc(cc1C#N)Br 62a_200000210301_100011219714 [0,1,0,0,0,0|1,1,1]=4 1053 B11R1.37 CSc1ccc(cc1C#N)C 62a_200000210301_100011935190 [0,1,0,0,0,0|1,1,1]=4 1054 B11R1.37 CSc1ccc(cc1C#N)Cl 62a_200000210301_200011356825 [0,1,0,0,0,0|1,1,1]=4 1055 B11R1.37 CSc1ccc(cc1C#N)F 62a_200000210301_100000747550 [0,1,0,0,0,0|1,1,1]=4 1056 B11R1.37 CSc1ccc(cc1C#N)N 62a_200000210301_100011934039 [0,1,0,0,0,0|1,1,1]=4 1057 B11R1.37 CSc1ccc(cc1C#N)O 62a_200000210301_100009818209 [0,1,0,0,0,0|1,1,1]=4 1058 B11R1.37 CSc1ccc(cc1C=O)Br 62a_100010185651_200000210301 [0,1,0,0,0,0|0,1,0]=2 1059 B11R1.37 CSc1ccc(cc1C=O)Br 62a_200000210301_100010185651 [0,1,0,0,0,0|0,1,0]=2 1060 B11R1.37 CSc1ccc(cc1C=O)C 62a_100011551863_200000210301 [0,1,0,0,0,0|0,1,0]=2 1061 B11R1.37 CSc1ccc(cc1C=O)C 62a_200000210301_100011551863 [0,1,0,0,0,0|0,1,0]=2 1062 B11R1.37 CSc1ccc(cc1C=O)Cl 62a_100010254386_200000210301 [0,1,0,0,0,0|0,1,0]=2 1063 B11R1.37 CSc1ccc(cc1C=O)Cl 62a_200000210301_100010254386 [0,1,0,0,0,0|0,1,0]=2 1064 B11R1.37 CSc1ccc(cc1C=O)F 62a_100011218309_200000210301 [0,1,0,0,0,0|0,1,0]=2 1065 B11R1.37 CSc1ccc(cc1C=O)F 62a_200000210301_100011218309 [0,1,0,0,0,0|0,1,0]=2 1066 B11R1.37 CSc1ccc(cc1C=O)O 62a_100000690577_200000210301 [0,1,0,0,0,0|0,1,0]=2 1067 B11R1.37 CSc1ccc(cc1C=O)O 62a_200000210301_100000690577 [0,1,0,0,0,0|0,1,0]=2 1068 B11R1.37 CSc1ccc(cc1CN)F 62a_100000742738_200000210301 [0,1,0,0,0,0|1,1,1]=4 1069 B11R1.37 CSc1ccc(cc1CN)F 62a_200000210301_100000742738 [0,1,0,0,0,0|1,1,1]=4 1070 B11R1.37 CSc1ccc(cc1CO)Br 62a_100011356890_200000210301 [0,1,0,0,0,0|0,1,2]=4 1071 B11R1.37 CSc1ccc(cc1CO)Br 62a_200000210301_100011356890 [0,1,0,0,0,0|0,1,2]=4 1072 B11R1.37 CSc1ccc(cc1CO)C 62a_100012361352_200000210301 [0,1,0,0,0,0|0,1,2]=4 1073 B11R1.37 CSc1ccc(cc1CO)C 62a_200000210301_100012361352 [0,1,0,0,0,0|0,1,2]=4 1074 B11R1.37 CSc1ccc(cc1CO)F 62a_100011217561_200000210301 [0,1,0,0,0,0|0,1,2]=4 1075 B11R1.37 CSc1ccc(cc1CO)F 62a_200000210301_100011217561 [0,1,0,0,0,0|0,1,2]=4 1076 B11R1.37 CSc1ccc(cc1CO)N 62a_100012347228_200000210301 [0,1,0,0,0,0|0,1,2]=4 1077 B11R1.37 CSc1ccc(cc1CO)N 62a_200000210301_100012347228 [0,1,0,0,0,0|0,1,2]=4 1078 B11R1.37 CSc1ccc(cc1CO)O 62a_100012351483_200000210301 [0,1,0,0,0,0|0,1,2]=4 1079 B11R1.37 CSc1ccc(cc1CO)O 62a_200000210301_100012351483 [0,1,0,0,0,0|0,1,2]=4 1080 B11R1.37 CSc1ccc(cc1NN)F 62a_100012362518_200000210301 [0,1,0,0,0,0|2,1,0]=4 1081 B11R1.37 CSc1ccc(cc1NN)F 62a_200000210301_100012362518 [0,1,0,0,0,0|2,1,0]=4 1082 B11R1.37 CSc1ccc(cc1N[13CH3])Cl 34a_100000745667_200025704644 [0,1,0,0,0,0|2,1,0]=4 1083 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010201864 [0,1,0,0,0,0|2,1,0]=4 1084 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010709736 [0,1,0,0,0,0|2,1,0]=4 1085 B11R1.37 CSc1ccc(cc1SC)C 62a_200010201864_200000210301 [0,1,0,0,0,0|2,1,0]=4 1086 B11R1.37 CSc1ccc(cc1SC)C 62a_200010709736_200000210301 [0,1,0,0,0,0|2,1,0]=4 1087 B11R1.37 CSc1ccc(cc1SC)F 62a_100009817003_200000210301 [0,1,0,0,0,0|2,1,0]=4 1088 B11R1.37 CSc1ccc(cc1SC)F 62a_200000210301_100009817003 [0,1,0,0,0,0|2,1,0]=4 1089 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200010201864_200025704644 [0,1,0,0,0,0|2,1,0]=4 1090 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200025704644_200010201864 [0,1,0,0,0,0|2,1,0]=4 1091 B11R1.37 CSc1ccc(cc1S[13CH3])F 62a_100009817003_200025704644 [0,1,0,0,0,0|2,1,0]=4 1092 B11R1.37 CSc1ccc(cc1S[13CH3])F 62a_200025704644_100009817003 [0,1,0,0,0,0|2,1,0]=4 1093 B11R1.37 CSc1ccc(nc1C=O)C 62a_100010173661_200000210301 [0,1,0,0,0,0|1,1,0]=3 1094 B11R1.37 CSc1ccc(nc1C=O)C 62a_200000210301_100010173661 [0,1,0,0,0,0|1,1,0]=3 1095 B11R1.37 CSc1cnc(cc1C=O)O 62a_100010064890_200000210301 [0,1,0,0,0,0|1,1,0]=3 1096 B11R1.37 CSc1cnc(cc1C=O)O 62a_200000210301_100010064890 [0,1,0,0,0,0|1,1,0]=3 1097 B11R1.37 CSc1nc(ccc1C=O)C 62a_100000085379_200000210301 [0,1,0,0,0,0|1,1,0]=3 1098 B11R1.37 CSc1nc(ccc1C=O)C 62a_200000210301_100000085379 [0,1,0,0,0,0|1,1,0]=3 1099 B11R1.37 CSc1nc(ccc1C=O)F 62a_100009846357_200000210301 [0,1,0,0,0,0|1,1,0]=3 1100 B11R1.37 CSc1nc(ccc1C=O)F 62a_200000210301_100009846357 [0,1,0,0,0,0|1,1,0]=3 1101 B11R1.37 CSc1ncc(cc1C=O)C 62a_200000210301_100000050350 [0,1,0,0,0,0|1,1,0]=3 1102 B11R1.37 CSc1ncc(cc1C=O)F 62a_100000079965_200000210301 [0,1,0,0,0,0|1,1,0]=3 1103 B11R1.37 CSc1ncc(cc1C=O)F 62a_200000210301_100000079965 [0,1,0,0,0,0|1,1,0]=3 1104 B11R1.37 Cc1ccc(c(c1)C#N)N[13CH3] 7a_100011934023_200025704644 [0,1,0,0,0,0|2,0,1]=4 1105 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 34a_200012180384_200025704644 [0,1,0,0,0,0|1,0,1]=3 1106 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 7a_200012180384_200025704644 [0,1,0,0,0,0|1,0,1]=3 1107 B11R1.37 Cc1ccc(c(c1)C#N)S[13CH3] 62a_200025704644_100011935190 [0,1,0,0,0,0|1,1,1]=4 1108 B11R1.37 Cc1ccc(c(c1)C=O)S[13CH3] 62a_100011551863_200025704644 [0,1,0,0,0,0|0,1,0]=2 1109 B11R1.37 Cc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100011551863 [0,1,0,0,0,0|0,1,0]=2 1110 B11R1.37 Cc1ccc(c(c1)CO)N[13CH3] 34a_100011215565_200025704644 [0,1,0,0,0,0|1,0,2]=4 1111 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 34a_200011846009_200025704644 [0,1,0,0,0,0|0,0,2]=3 1112 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 7a_200011846009_200025704644 [0,1,0,0,0,0|0,0,2]=3 1113 B11R1.37 Cc1ccc(c(c1)CO)S[13CH3] 62a_100012361352_200025704644 [0,1,0,0,0,0|0,1,2]=4 1114 B11R1.37 Cc1ccc(c(c1)CO)S[13CH3] 62a_200025704644_100012361352 [0,1,0,0,0,0|0,1,2]=4 1115 B11R1.37 Cc1ccc(c(c1)N[13CH3])C#N 34a_100011218341_200025704644 [0,1,0,0,0,0|2,0,1]=4 1116 B11R1.37 Cc1ccc(c(c1)N[13CH3])C#N 7a_100011218341_200025704644 [0,1,0,0,0,0|2,0,1]=4 1117 B11R1.37 Cc1ccc(c(c1)N[13CH3])CO 34a_100000087799_200025704644 [0,1,0,0,0,0|1,0,2]=4 1118 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 34a_100011640519_200025704644 [0,1,0,0,0,0|1,0,1]=3 1119 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 7a_100011640519_200025704644 [0,1,0,0,0,0|1,0,1]=3 1120 B11R1.37 Cc1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100000693804 [0,1,0,0,0,0|1,1,1]=4 1121 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_100011935181_200025704644 [0,1,0,0,0,0|0,1,0]=2 1122 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100011935181 [0,1,0,0,0,0|0,1,0]=2 1123 B11R1.37 Cc1ccc(c(c1)S[13CH3])NN 62a_100016996181_200025704644 [0,1,0,0,0,0|2,1,0]=4 1124 B11R1.37 Cc1ccc(c(c1)S[13CH3])NN 62a_200025704644_100016996181 [0,1,0,0,0,0|2,1,0]=4 1125 B11R1.37 Cc1ccc(c(n1)C=O)S[13CH3] 62a_100010173661_200025704644 [0,1,0,0,0,0|1,1,0]=3 1126 B11R1.37 Cc1ccc(c(n1)C=O)S[13CH3] 62a_200025704644_100010173661 [0,1,0,0,0,0|1,1,0]=3 1127 B11R1.37 Cc1ccc(c(n1)CCl)O[13CH3] 34a_100020630696_200025704644 [0,1,0,0,0,0|2,0,1]=4 1128 B11R1.37 Cc1ccc(c(n1)CCl)O[13CH3] 7a_100020630696_200025704644 [0,1,0,0,0,0|2,0,1]=4 1129 B11R1.37 Cc1ccc(c(n1)CO)O[13CH3] 34a_100000751967_200025704644 [0,1,0,0,0,0|1,0,2]=4 1130 B11R1.37 Cc1ccc(c(n1)S[13CH3])C=O 62a_100000085379_200025704644 [0,1,0,0,0,0|1,1,0]=3 1131 B11R1.37 Cc1ccc(c(n1)S[13CH3])C=O 62a_200025704644_100000085379 [0,1,0,0,0,0|1,1,0]=3 1132 B11R1.37 Cc1cnc(c(c1)C=O)S[13CH3] 62a_200025704644_100000050350 [0,1,0,0,0,0|1,1,0]=3 1133 B11R1.37 N#Cc1cc(ccc1C=O)O 271570a_203496583355_100012001787 [0,1,0,0,0,0|2,0,0]=3 1134 B11R1.37 N#Cc1ccc(cc1C=O)O 271570a_203496583355_100010194279 [0,1,0,0,0,0|2,0,0]=3 1135 B11R1.37 O=Cc1ccc(cc1C=O)O 271570a_203496583355_200010077131 [0,1,0,0,0,0|2,0,0]=3 1136 B11R1.37 [13CH3]Nc1cc(ccc1C#N)Br 7a_100000699244_200025704644 [0,1,0,0,0,0|2,0,1]=4 1137 B11R1.37 [13CH3]Nc1cc(ccc1C#N)Cl 34a_100000211392_200025704644 [0,1,0,0,0,0|2,0,1]=4 1138 B11R1.37 [13CH3]Nc1cc(ccc1C#N)Cl 7a_100000211392_200025704644 [0,1,0,0,0,0|2,0,1]=4 1139 B11R1.37 [13CH3]Nc1cc(ccc1C#N)F 34a_100011935279_200025704644 [0,1,0,0,0,0|2,0,1]=4 1140 B11R1.37 [13CH3]Nc1cc(ccc1C#N)F 7a_100011935279_200025704644 [0,1,0,0,0,0|2,0,1]=4 1141 B11R1.37 [13CH3]Nc1cc(ccc1CO)Br 34a_100000718831_200025704644 [0,1,0,0,0,0|1,0,2]=4 1142 B11R1.37 [13CH3]Nc1cc(ccc1CO)Cl 34a_100000238622_200025704644 [0,1,0,0,0,0|1,0,2]=4 1143 B11R1.37 [13CH3]Nc1cc(ccc1CO)F 34a_100011996588_200025704644 [0,1,0,0,0,0|1,0,2]=4 1144 B11R1.37 [13CH3]Nc1ccc(cc1C#N)Br 7a_100000688460_200025704644 [0,1,0,0,0,0|2,0,1]=4 1145 B11R1.37 [13CH3]Nc1ccc(cc1C#N)Cl 7a_100011219925_200025704644 [0,1,0,0,0,0|2,0,1]=4 1146 B11R1.37 [13CH3]Nc1ccc(cc1C#N)F 34a_100000685569_200025704644 [0,1,0,0,0,0|2,0,1]=4 1147 B11R1.37 [13CH3]Nc1ccc(cc1C#N)F 7a_100000685569_200025704644 [0,1,0,0,0,0|2,0,1]=4 1148 B11R1.37 [13CH3]Nc1ccc(cc1C#N)I 7a_100000049818_200025704644 [0,1,0,0,0,0|2,0,1]=4 1149 B11R1.37 [13CH3]Nc1ccc(cc1CO)Br 34a_100012353972_200025704644 [0,1,0,0,0,0|1,0,2]=4 1150 B11R1.37 [13CH3]Nc1ccc(cc1CO)Cl 34a_100011214999_200025704644 [0,1,0,0,0,0|1,0,2]=4 1151 B11R1.37 [13CH3]Nc1ccc(cc1CO)F 34a_100011296978_200025704644 [0,1,0,0,0,0|1,0,2]=4 1152 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 34a_100011934713_200025704644 [0,1,0,0,0,0|1,0,1]=3 1153 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 7a_100011934713_200025704644 [0,1,0,0,0,0|1,0,1]=3 1154 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 34a_100000688488_200025704644 [0,1,0,0,0,0|1,0,1]=3 1155 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 7a_100000688488_200025704644 [0,1,0,0,0,0|1,0,1]=3 1156 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 34a_100012185923_200025704644 [0,1,0,0,0,0|1,0,1]=3 1157 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 7a_100012185923_200025704644 [0,1,0,0,0,0|1,0,1]=3 1158 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 34a_100000094571_200025704644 [0,1,0,0,0,0|1,0,1]=3 1159 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 7a_100000094571_200025704644 [0,1,0,0,0,0|1,0,1]=3 1160 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 34a_100000071718_200025704644 [0,1,0,0,0,0|0,0,2]=3 1161 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 7a_100000071718_200025704644 [0,1,0,0,0,0|0,0,2]=3 1162 B11R1.37 [13CH3]Oc1cc(cnc1C#N)Br 34a_200013853302_200025704644 [0,1,0,0,0,0|2,0,1]=4 1163 B11R1.37 [13CH3]Oc1cc(cnc1C#N)Br 7a_200013853302_200025704644 [0,1,0,0,0,0|2,0,1]=4 1164 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Br 34a_100000687585_200025704644 [0,1,0,0,0,0|1,0,1]=3 1165 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Br 7a_100000687585_200025704644 [0,1,0,0,0,0|1,0,1]=3 1166 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Cl 34a_100011219380_200025704644 [0,1,0,0,0,0|1,0,1]=3 1167 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Cl 7a_100011219380_200025704644 [0,1,0,0,0,0|1,0,1]=3 1168 B11R1.37 [13CH3]Oc1ccc(cc1C#N)F 34a_100011900173_200025704644 [0,1,0,0,0,0|1,0,1]=3 1169 B11R1.37 [13CH3]Oc1ccc(cc1C#N)F 7a_100011900173_200025704644 [0,1,0,0,0,0|1,0,1]=3 1170 B11R1.37 [13CH3]Oc1ccc(cc1C#N)I 34a_200000049958_200025704644 [0,1,0,0,0,0|1,0,1]=3 1171 B11R1.37 [13CH3]Oc1ccc(cc1C#N)I 7a_200000049958_200025704644 [0,1,0,0,0,0|1,0,1]=3 1172 B11R1.37 [13CH3]Oc1ccc(cc1C#N)N 34a_100011249283_200025704644 [0,1,0,0,0,0|1,0,1]=3 1173 B11R1.37 [13CH3]Oc1ccc(cc1C#N)N 7a_100011249283_200025704644 [0,1,0,0,0,0|1,0,1]=3 1174 B11R1.37 [13CH3]Oc1ccc(cc1CBr)F 34a_100010161318_200025704644 [0,1,0,0,0,0|1,0,1]=3 1175 B11R1.37 [13CH3]Oc1ccc(cc1CBr)F 7a_100010161318_200025704644 [0,1,0,0,0,0|1,0,1]=3 1176 B11R1.37 [13CH3]Oc1ccc(cc1CN)Br 34a_100000730032_200025704644 [0,1,0,0,0,0|1,0,1]=3 1177 B11R1.37 [13CH3]Oc1ccc(cc1CN)Cl 34a_100000238540_200025704644 [0,1,0,0,0,0|1,0,1]=3 1178 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 34a_100000184703_200025704644 [0,1,0,0,0,0|0,0,2]=3 1179 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 7a_100000184703_200025704644 [0,1,0,0,0,0|0,0,2]=3 1180 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 34a_100011218961_200025704644 [0,1,0,0,0,0|0,0,2]=3 1181 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 7a_100011218961_200025704644 [0,1,0,0,0,0|0,0,2]=3 1182 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 34a_100011291448_200025704644 [0,1,0,0,0,0|0,0,2]=3 1183 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 7a_100011291448_200025704644 [0,1,0,0,0,0|0,0,2]=3 1184 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 34a_100000049520_200025704644 [0,1,0,0,0,0|0,0,2]=3 1185 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 7a_100000049520_200025704644 [0,1,0,0,0,0|0,0,2]=3 1186 B11R1.37 [13CH3]Sc1cc(ccc1C#N)Br 62a_200025704644_100010214477 [0,1,0,0,0,0|1,1,1]=4 1187 B11R1.37 [13CH3]Sc1cc(ccc1C#N)Cl 62a_200025704644_100012355178 [0,1,0,0,0,0|1,1,1]=4 1188 B11R1.37 [13CH3]Sc1cc(ccc1C#N)F 62a_200025704644_100011935285 [0,1,0,0,0,0|1,1,1]=4 1189 B11R1.37 [13CH3]Sc1cc(ccc1C#N)N 62a_200025704644_100000689153 [0,1,0,0,0,0|1,1,1]=4 1190 B11R1.37 [13CH3]Sc1cc(ccc1C#N)O 62a_200025704644_100012184851 [0,1,0,0,0,0|1,1,1]=4 1191 B11R1.37 [13CH3]Sc1cc(ccc1C=O)Br 62a_100010146562_200025704644 [0,1,0,0,0,0|0,1,0]=2 1192 B11R1.37 [13CH3]Sc1cc(ccc1C=O)Br 62a_200025704644_100010146562 [0,1,0,0,0,0|0,1,0]=2 1193 B11R1.37 [13CH3]Sc1cc(ccc1C=O)F 62a_100000752949_200025704644 [0,1,0,0,0,0|0,1,0]=2 1194 B11R1.37 [13CH3]Sc1cc(ccc1C=O)F 62a_200025704644_100000752949 [0,1,0,0,0,0|0,1,0]=2 1195 B11R1.37 [13CH3]Sc1cc(ccc1C=O)O 62a_100011236494_200025704644 [0,1,0,0,0,0|0,1,0]=2 1196 B11R1.37 [13CH3]Sc1cc(ccc1C=O)O 62a_200025704644_100011236494 [0,1,0,0,0,0|0,1,0]=2 1197 B11R1.37 [13CH3]Sc1cc(ccc1CN)F 62a_100000708791_200025704644 [0,1,0,0,0,0|1,1,1]=4 1198 B11R1.37 [13CH3]Sc1cc(ccc1CN)F 62a_200025704644_100000708791 [0,1,0,0,0,0|1,1,1]=4 1199 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_100010146605_200025704644 [0,1,0,0,0,0|0,1,2]=4 1200 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_200025704644_100010146605 [0,1,0,0,0,0|0,1,2]=4 1201 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_100000722340_200025704644 [0,1,0,0,0,0|0,1,2]=4 1202 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_200025704644_100000722340 [0,1,0,0,0,0|0,1,2]=4 1203 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_100000744086_200025704644 [0,1,0,0,0,0|0,1,2]=4 1204 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_200025704644_100000744086 [0,1,0,0,0,0|0,1,2]=4 1205 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_100010146404_200025704644 [0,1,0,0,0,0|0,1,2]=4 1206 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_200025704644_100010146404 [0,1,0,0,0,0|0,1,2]=4 1207 B11R1.37 [13CH3]Sc1cc(ncc1C=O)F 62a_100009862493_200025704644 [0,1,0,0,0,0|1,1,0]=3 1208 B11R1.37 [13CH3]Sc1cc(ncc1C=O)F 62a_200025704644_100009862493 [0,1,0,0,0,0|1,1,0]=3 1209 B11R1.37 [13CH3]Sc1ccc(cc1C#N)Br 62a_200025704644_100011219714 [0,1,0,0,0,0|1,1,1]=4 1210 B11R1.37 [13CH3]Sc1ccc(cc1C#N)Cl 62a_200025704644_200011356825 [0,1,0,0,0,0|1,1,1]=4 1211 B11R1.37 [13CH3]Sc1ccc(cc1C#N)F 62a_200025704644_100000747550 [0,1,0,0,0,0|1,1,1]=4 1212 B11R1.37 [13CH3]Sc1ccc(cc1C#N)N 62a_200025704644_100011934039 [0,1,0,0,0,0|1,1,1]=4 1213 B11R1.37 [13CH3]Sc1ccc(cc1C#N)O 62a_200025704644_100009818209 [0,1,0,0,0,0|1,1,1]=4 1214 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Br 62a_100010185651_200025704644 [0,1,0,0,0,0|0,1,0]=2 1215 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Br 62a_200025704644_100010185651 [0,1,0,0,0,0|0,1,0]=2 1216 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Cl 62a_100010254386_200025704644 [0,1,0,0,0,0|0,1,0]=2 1217 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Cl 62a_200025704644_100010254386 [0,1,0,0,0,0|0,1,0]=2 1218 B11R1.37 [13CH3]Sc1ccc(cc1C=O)F 62a_100011218309_200025704644 [0,1,0,0,0,0|0,1,0]=2 1219 B11R1.37 [13CH3]Sc1ccc(cc1C=O)F 62a_200025704644_100011218309 [0,1,0,0,0,0|0,1,0]=2 1220 B11R1.37 [13CH3]Sc1ccc(cc1C=O)O 62a_100000690577_200025704644 [0,1,0,0,0,0|0,1,0]=2 1221 B11R1.37 [13CH3]Sc1ccc(cc1C=O)O 62a_200025704644_100000690577 [0,1,0,0,0,0|0,1,0]=2 1222 B11R1.37 [13CH3]Sc1ccc(cc1CN)F 62a_100000742738_200025704644 [0,1,0,0,0,0|1,1,1]=4 1223 B11R1.37 [13CH3]Sc1ccc(cc1CN)F 62a_200025704644_100000742738 [0,1,0,0,0,0|1,1,1]=4 1224 B11R1.37 [13CH3]Sc1ccc(cc1CO)Br 62a_100011356890_200025704644 [0,1,0,0,0,0|0,1,2]=4 1225 B11R1.37 [13CH3]Sc1ccc(cc1CO)Br 62a_200025704644_100011356890 [0,1,0,0,0,0|0,1,2]=4 1226 B11R1.37 [13CH3]Sc1ccc(cc1CO)F 62a_100011217561_200025704644 [0,1,0,0,0,0|0,1,2]=4 1227 B11R1.37 [13CH3]Sc1ccc(cc1CO)F 62a_200025704644_100011217561 [0,1,0,0,0,0|0,1,2]=4 1228 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_100012347228_200025704644 [0,1,0,0,0,0|0,1,2]=4 1229 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_200025704644_100012347228 [0,1,0,0,0,0|0,1,2]=4 1230 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_100012351483_200025704644 [0,1,0,0,0,0|0,1,2]=4 1231 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_200025704644_100012351483 [0,1,0,0,0,0|0,1,2]=4 1232 B11R1.37 [13CH3]Sc1ccc(cc1NN)F 62a_100012362518_200025704644 [0,1,0,0,0,0|2,1,0]=4 1233 B11R1.37 [13CH3]Sc1ccc(cc1NN)F 62a_200025704644_100012362518 [0,1,0,0,0,0|2,1,0]=4 1234 B11R1.37 [13CH3]Sc1cnc(cc1C=O)O 62a_100010064890_200025704644 [0,1,0,0,0,0|1,1,0]=3 1235 B11R1.37 [13CH3]Sc1cnc(cc1C=O)O 62a_200025704644_100010064890 [0,1,0,0,0,0|1,1,0]=3 1236 B11R1.37 [13CH3]Sc1nc(ccc1C=O)F 62a_100009846357_200025704644 [0,1,0,0,0,0|1,1,0]=3 1237 B11R1.37 [13CH3]Sc1nc(ccc1C=O)F 62a_200025704644_100009846357 [0,1,0,0,0,0|1,1,0]=3 1238 B11R1.37 [13CH3]Sc1ncc(cc1C=O)F 62a_100000079965_200025704644 [0,1,0,0,0,0|1,1,0]=3 1239 B11R1.37 [13CH3]Sc1ncc(cc1C=O)F 62a_200025704644_100000079965 [0,1,0,0,0,0|1,1,0]=3 1240 B11R1.41 C#Cc1ccccc1CNC 34a_100020634229_200000210301 [0,1,0,0,0,0|2,0,1]=4 1241 B11R1.41 C#Cc1ccccc1CN[13CH3] 34a_100020634229_200025704644 [0,1,0,0,0,0|2,0,1]=4 1242 B11R1.41 C#Cc1ccccc1COC 34a_100000054652_200000210301 [0,1,0,0,0,0|1,0,1]=3 1243 B11R1.41 C#Cc1ccccc1COC 7a_100000054652_200000210301 [0,1,0,0,0,0|1,0,1]=3 1244 B11R1.41 C#Cc1ccccc1CO[13CH3] 34a_100000054652_200025704644 [0,1,0,0,0,0|1,0,1]=3 1245 B11R1.41 C#Cc1ccccc1CO[13CH3] 7a_100000054652_200025704644 [0,1,0,0,0,0|1,0,1]=3 1246 B11R1.41 C#Cc1ccccc1NCC 34a_100011470550_100000210202 [0,1,0,0,0,0|2,0,1]=4 1247 B11R1.41 C#Cc1ccccc1NCF 34a_100011470550_100015361967 [0,1,0,0,0,0|2,0,1]=4 1248 B11R1.41 C#Cc1ccccc1OCC 34a_200011470546_100000210202 [0,1,0,0,0,0|1,0,1]=3 1249 B11R1.41 C#Cc1ccccc1OCC 7a_200011470546_100000210202 [0,1,0,0,0,0|1,0,1]=3 1250 B11R1.41 C#Cc1ccccc1OCF 34a_200011470546_100015361967 [0,1,0,0,0,0|1,0,1]=3 1251 B11R1.41 C#Cc1ccccc1OCF 7a_200011470546_100015361967 [0,1,0,0,0,0|1,0,1]=3 1252 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [0,1,0,0,0,0|1,0,0]=2 1253 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [0,1,0,0,0,0|1,0,0]=2 1254 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [0,1,0,0,0,0|1,0,0]=2 1255 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [0,1,0,0,0,0|1,0,0]=2 1256 B11R1.41 C=C=Cc1ccccc1C#N 271570a_100015277604_100000188569 [0,1,0,0,0,0|3,0,0]=4 1257 B11R1.41 C=C=Cc1ccccc1C=O 271570a_100015277604_100000211189 [0,1,0,0,0,0|1,0,1]=3 1258 B11R1.41 C=C=Cc1ccccc1CC 271570a_100015277604_100011215823 [0,1,0,0,0,0|2,0,0]=3 1259 B11R1.41 C=C=Cc1ccccc1CN 271570a_100015277604_100000689332 [0,1,0,0,0,0|3,0,0]=4 1260 B11R1.41 C=C=Cc1ccccc1CO 271570a_100015277604_100000187465 [0,1,0,0,0,0|3,0,0]=4 1261 B11R1.41 C=C=Cc1ccccc1NC 271570a_100015277604_100020606079 [0,1,0,0,0,0|2,0,0]=3 1262 B11R1.41 C=C=Cc1ccccc1NN 271570a_100015277604_100000241748 [0,1,0,0,0,0|3,0,0]=4 1263 B11R1.41 C=C=Cc1ccccc1OC 271570a_100015277604_100000174000 [0,1,0,0,0,0|1,0,0]=2 1264 B11R1.41 C=C=Cc1ccccc1SC 271570a_100015277604_100011217816 [0,1,0,0,0,0|1,1,0]=3 1265 B11R1.41 C=C=Cc1cccnc1C=O 271570a_100015277604_100011934733 [0,1,0,0,0,0|2,0,1]=4 1266 B11R1.41 C=C=Cc1cccnc1CC 271570a_100015277604_100009877225 [0,1,0,0,0,0|3,0,0]=4 1267 B11R1.41 C=C=Cc1cccnc1NC 271570a_100015277604_100000700899 [0,1,0,0,0,0|3,0,0]=4 1268 B11R1.41 C=C=Cc1cccnc1OC 271570a_100015277604_100000047025 [0,1,0,0,0,0|2,0,0]=3 1269 B11R1.41 C=C=Cc1cccnc1SC 271570a_100015277604_100011465278 [0,1,0,0,0,0|2,1,0]=4 1270 B11R1.41 C=C=Cc1ccncc1C=O 271570a_100015277604_100000050567 [0,1,0,0,0,0|2,0,1]=4 1271 B11R1.41 C=C=Cc1ccncc1CC 271570a_100015277604_100025704421 [0,1,0,0,0,0|3,0,0]=4 1272 B11R1.41 C=C=Cc1ccncc1OC 271570a_100015277604_100016988167 [0,1,0,0,0,0|2,0,0]=3 1273 B11R1.41 C=C=Cc1cnccc1C=O 271570a_100015277604_100011934409 [0,1,0,0,0,0|2,0,1]=4 1274 B11R1.41 C=C=Cc1cnccc1CC 271570a_100015277604_100009819861 [0,1,0,0,0,0|3,0,0]=4 1275 B11R1.41 C=C=Cc1cnccc1NC 271570a_100015277604_100010069531 [0,1,0,0,0,0|3,0,0]=4 1276 B11R1.41 C=C=Cc1cnccc1OC 271570a_100015277604_100011997281 [0,1,0,0,0,0|2,0,0]=3 1277 B11R1.41 C=C=Cc1cncnc1OC 271570a_100015277604_100000719902 [0,1,0,0,0,0|3,0,0]=4 1278 B11R1.41 C=C=Cc1ncccc1C=O 271570a_100015277604_100009816751 [0,1,0,0,0,0|2,0,1]=4 1279 B11R1.41 C=C=Cc1ncccc1NC 271570a_100015277604_200011806188 [0,1,0,0,0,0|3,0,0]=4 1280 B11R1.41 C=C=Cc1ncccc1OC 271570a_100015277604_100000690851 [0,1,0,0,0,0|2,0,0]=3 1281 B11R1.41 C=C=Cc1nccnc1OC 271570a_100015277604_100000749998 [0,1,0,0,0,0|3,0,0]=4 1282 B11R1.41 C=C=Cc1ncncc1OC 271570a_100015277604_100012001275 [0,1,0,0,0,0|3,0,0]=4 1283 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [0,1,0,0,0,0|2,0,1]=4 1284 B11R1.41 C=CCc1ccccc1NC 2230a_200138433279_200000210301 [0,1,0,0,0,0|2,0,0]=3 1285 B11R1.41 C=CCc1ccccc1NC 34a_200138433279_200000210301 [0,1,0,0,0,0|2,0,0]=3 1286 B11R1.41 C=CCc1ccccc1N[13CH3] 2230a_200138433279_200025704644 [0,1,0,0,0,0|2,0,0]=3 1287 B11R1.41 C=CCc1ccccc1N[13CH3] 34a_200138433279_200025704644 [0,1,0,0,0,0|2,0,0]=3 1288 B11R1.41 C=CCc1ccccc1OC 34a_100000211836_200000210301 [0,1,0,0,0,0|1,0,0]=2 1289 B11R1.41 C=CCc1ccccc1OC 7a_100000211836_200000210301 [0,1,0,0,0,0|1,0,0]=2 1290 B11R1.41 C=CCc1ccccc1O[13CH3] 34a_100000211836_200025704644 [0,1,0,0,0,0|1,0,0]=2 1291 B11R1.41 C=CCc1ccccc1O[13CH3] 7a_100000211836_200025704644 [0,1,0,0,0,0|1,0,0]=2 1292 B11R1.41 C=CCc1ccccc1SC 62a_100009828059_200000210301 [0,1,0,0,0,0|1,1,0]=3 1293 B11R1.41 C=CCc1ccccc1SC 62a_200000210301_100009828059 [0,1,0,0,0,0|1,1,0]=3 1294 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_100009828059_200025704644 [0,1,0,0,0,0|1,1,0]=3 1295 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_200025704644_100009828059 [0,1,0,0,0,0|1,1,0]=3 1296 B11R1.41 C=Cc1ccccc1CC#N 271570a_100011290941_100000033512 [0,1,0,0,0,0|2,0,1]=4 1297 B11R1.41 C=Cc1ccccc1CCN 271570a_100011290941_100000747383 [0,1,0,0,0,0|2,0,0]=3 1298 B11R1.41 C=Cc1ccccc1CCO 271570a_100011290941_100000731337 [0,1,0,0,0,0|2,0,0]=3 1299 B11R1.41 C=Cc1ccccc1CNC 271570a_100011290941_100000184654 [0,1,0,0,0,0|2,0,0]=3 1300 B11R1.41 C=Cc1ccccc1CNN 271570a_100011290941_200016993956 [0,1,0,0,0,0|3,0,0]=4 1301 B11R1.41 C=Cc1ccccc1COC 271570a_100011290941_100011493684 [0,1,0,0,0,0|1,0,0]=2 1302 B11R1.41 C=Cc1ccccc1COC 34a_200010883148_200000210301 [0,1,0,0,0,0|1,0,0]=2 1303 B11R1.41 C=Cc1ccccc1COC 7a_200010883148_200000210301 [0,1,0,0,0,0|1,0,0]=2 1304 B11R1.41 C=Cc1ccccc1CO[13CH3] 34a_200010883148_200025704644 [0,1,0,0,0,0|1,0,0]=2 1305 B11R1.41 C=Cc1ccccc1CO[13CH3] 7a_200010883148_200025704644 [0,1,0,0,0,0|1,0,0]=2 1306 B11R1.41 C=Cc1ccccc1CSC 271570a_100011290941_100000148299 [0,1,0,0,0,0|1,1,0]=3 1307 B11R1.41 C=Cc1ccccc1N=[N+]=[N-] 271570a_100011290941_100000762926 [0,1,0,0,0,0|3,0,0]=4 1308 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [0,1,0,0,0,0|2,0,0]=3 1309 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [0,1,0,0,0,0|2,0,0]=3 1310 B11R1.41 C=Cc1ccccc1NCF 34a_100012022501_100015361967 [0,1,0,0,0,0|2,0,0]=3 1311 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [0,1,0,0,0,0|1,0,0]=2 1312 B11R1.41 C=Cc1ccccc1SCC 271570a_100011290941_100000230856 [0,1,0,0,0,0|1,1,0]=3 1313 B11R1.41 C=Cc1ccccc1SCC 62a_100000210202_100011218376 [0,1,0,0,0,0|1,1,0]=3 1314 B11R1.41 C=Cc1ccccc1SCC 62a_100011218376_100000210202 [0,1,0,0,0,0|1,1,0]=3 1315 B11R1.41 C=Cc1ccccc1SCF 62a_100011218376_100015361967 [0,1,0,0,0,0|1,1,0]=3 1316 B11R1.41 C=Cc1ccccc1SCF 62a_100015361967_100011218376 [0,1,0,0,0,0|1,1,0]=3 1317 B11R1.41 C=Cc1cccnc1OCC 271570a_100011290941_100011465154 [0,1,0,0,0,0|2,0,0]=3 1318 B11R1.41 C=Cc1ncccc1CNC 271570a_100011290941_103496529121 [0,1,0,0,0,0|3,0,0]=4 1319 B11R1.41 C=Cc1ncccc1OCC 271570a_100011290941_100011597540 [0,1,0,0,0,0|2,0,0]=3 1320 B11R1.41 C=Cc1nccnc1OCC 271570a_100011290941_200010128176 [0,1,0,0,0,0|3,0,0]=4 1321 B11R1.41 CC=Cc1ccccc1C#N 271570a_100016259895_100000188569 [0,1,0,0,0,0|2,0,1]=4 1322 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [0,1,0,0,0,0|1,0,0]=2 1323 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [0,1,0,0,0,0|2,0,0]=3 1324 B11R1.41 CC=Cc1ccccc1CN 271570a_100016259895_100000689332 [0,1,0,0,0,0|2,0,1]=4 1325 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [0,1,0,0,0,0|1,0,2]=4 1326 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [0,1,0,0,0,0|2,0,0]=3 1327 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [0,1,0,0,0,0|3,0,0]=4 1328 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [0,1,0,0,0,0|1,0,0]=2 1329 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [0,1,0,0,0,0|1,1,0]=3 1330 B11R1.41 CC=Cc1cccnc1C=O 271570a_100016259895_100011934733 [0,1,0,0,0,0|2,0,0]=3 1331 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [0,1,0,0,0,0|3,0,0]=4 1332 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [0,1,0,0,0,0|3,0,0]=4 1333 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [0,1,0,0,0,0|2,0,0]=3 1334 B11R1.41 CC=Cc1cccnc1SC 271570a_100016259895_100011465278 [0,1,0,0,0,0|2,1,0]=4 1335 B11R1.41 CC=Cc1ccncc1C=O 271570a_100016259895_100000050567 [0,1,0,0,0,0|2,0,0]=3 1336 B11R1.41 CC=Cc1ccncc1CC 271570a_100016259895_100025704421 [0,1,0,0,0,0|3,0,0]=4 1337 B11R1.41 CC=Cc1ccncc1OC 271570a_100016259895_100016988167 [0,1,0,0,0,0|2,0,0]=3 1338 B11R1.41 CC=Cc1cnccc1C=O 271570a_100016259895_100011934409 [0,1,0,0,0,0|2,0,0]=3 1339 B11R1.41 CC=Cc1cnccc1CC 271570a_100016259895_100009819861 [0,1,0,0,0,0|3,0,0]=4 1340 B11R1.41 CC=Cc1cnccc1NC 271570a_100016259895_100010069531 [0,1,0,0,0,0|3,0,0]=4 1341 B11R1.41 CC=Cc1cnccc1OC 271570a_100016259895_100011997281 [0,1,0,0,0,0|2,0,0]=3 1342 B11R1.41 CC=Cc1cncnc1OC 271570a_100016259895_100000719902 [0,1,0,0,0,0|3,0,0]=4 1343 B11R1.41 CC=Cc1ncccc1C=O 271570a_100016259895_100009816751 [0,1,0,0,0,0|2,0,0]=3 1344 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [0,1,0,0,0,0|3,0,0]=4 1345 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [0,1,0,0,0,0|2,0,0]=3 1346 B11R1.41 CC=Cc1nccnc1OC 271570a_100016259895_100000749998 [0,1,0,0,0,0|3,0,0]=4 1347 B11R1.41 CC=Cc1ncncc1OC 271570a_100016259895_100012001275 [0,1,0,0,0,0|3,0,0]=4 1348 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [0,1,0,0,0,0|2,0,1]=4 1349 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [0,1,0,0,0,0|2,0,1]=4 1350 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [0,1,0,0,0,0|2,0,1]=4 1351 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [0,1,0,0,0,0|2,0,1]=4 1352 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [0,1,0,0,0,0|2,0,1]=4 1353 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [0,1,0,0,0,0|2,0,1]=4 1354 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [0,1,0,0,0,0|1,0,1]=3 1355 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [0,1,0,0,0,0|1,0,1]=3 1356 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [0,1,0,0,0,0|1,0,1]=3 1357 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [0,1,0,0,0,0|1,0,1]=3 1358 B11R1.41 CCNc1ccccc1C#N 34a_100000211148_100000210202 [0,1,0,0,0,0|2,0,1]=4 1359 B11R1.41 CCNc1ccccc1CC 2230a_100000212081_100000210202 [0,1,0,0,0,0|2,0,1]=4 1360 B11R1.41 CCNc1ccccc1CC 34a_100000212081_100000210202 [0,1,0,0,0,0|2,0,1]=4 1361 B11R1.41 CCNc1ccccc1CC 7a_100000212081_100000210202 [0,1,0,0,0,0|2,0,1]=4 1362 B11R1.41 CCNc1ccccc1CO 34a_100000212039_100000210202 [0,1,0,0,0,0|1,0,2]=4 1363 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [0,1,0,0,0,0|1,0,1]=3 1364 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [0,1,0,0,0,0|1,0,1]=3 1365 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [0,1,0,0,0,0|1,0,1]=3 1366 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [0,1,0,0,0,0|1,0,1]=3 1367 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [0,1,0,0,0,0|1,0,1]=3 1368 B11R1.41 CCNc1ccccc1SC 34a_100000211160_100000210202 [0,1,0,0,0,0|1,1,1]=4 1369 B11R1.41 CCNc1ccccc1SC 62a_114873767003_200000210301 [0,1,0,0,0,0|1,1,1]=4 1370 B11R1.41 CCNc1ccccc1SC 62a_200000210301_114873767003 [0,1,0,0,0,0|1,1,1]=4 1371 B11R1.41 CCNc1ccccc1S[13CH3] 62a_114873767003_200025704644 [0,1,0,0,0,0|1,1,1]=4 1372 B11R1.41 CCNc1ccccc1S[13CH3] 62a_200025704644_114873767003 [0,1,0,0,0,0|1,1,1]=4 1373 B11R1.41 CCOc1ccccc1C#N 34a_100000211048_100000210202 [0,1,0,0,0,0|1,0,1]=3 1374 B11R1.41 CCOc1ccccc1C#N 7a_100000211048_100000210202 [0,1,0,0,0,0|1,0,1]=3 1375 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [0,1,0,0,0,0|1,0,1]=3 1376 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [0,1,0,0,0,0|1,0,1]=3 1377 B11R1.41 CCOc1ccccc1CN 34a_100000185550_100000210202 [0,1,0,0,0,0|1,0,1]=3 1378 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [0,1,0,0,0,0|0,0,2]=3 1379 B11R1.41 CCOc1ccccc1NC 34a_100000033821_100000210202 [0,1,0,0,0,0|2,0,0]=3 1380 B11R1.41 CCOc1ccccc1NC 34a_100000211218_200000210301 [0,1,0,0,0,0|2,0,0]=3 1381 B11R1.41 CCOc1ccccc1N[13CH3] 34a_100000211218_200025704644 [0,1,0,0,0,0|2,0,0]=3 1382 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [0,1,0,0,0,0|1,0,1]=3 1383 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [0,1,0,0,0,0|1,0,1]=3 1384 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [0,1,0,0,0,0|1,0,1]=3 1385 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [0,1,0,0,0,0|1,0,1]=3 1386 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [0,1,0,0,0,0|1,0,1]=3 1387 B11R1.41 CCOc1ccccc1SC 34a_100011216402_100000210202 [0,1,0,0,0,0|2,0,0]=3 1388 B11R1.41 CCOc1ccccc1SC 62a_100000230754_200000210301 [0,1,0,0,0,0|2,0,0]=3 1389 B11R1.41 CCOc1ccccc1SC 62a_200000210301_100000230754 [0,1,0,0,0,0|2,0,0]=3 1390 B11R1.41 CCOc1ccccc1S[13CH3] 62a_100000230754_200025704644 [0,1,0,0,0,0|2,0,0]=3 1391 B11R1.41 CCOc1ccccc1S[13CH3] 62a_200025704644_100000230754 [0,1,0,0,0,0|2,0,0]=3 1392 B11R1.41 CCOc1cccnc1C#N 34a_100000722750_100000210202 [0,1,0,0,0,0|2,0,1]=4 1393 B11R1.41 CCOc1cccnc1C#N 7a_100000722750_100000210202 [0,1,0,0,0,0|2,0,1]=4 1394 B11R1.41 CCOc1cccnc1CBr 34a_200020655725_100000210202 [0,1,0,0,0,0|2,0,1]=4 1395 B11R1.41 CCOc1cccnc1CBr 7a_200020655725_100000210202 [0,1,0,0,0,0|2,0,1]=4 1396 B11R1.41 CCOc1cccnc1CO 34a_100000731849_100000210202 [0,1,0,0,0,0|1,0,2]=4 1397 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [0,1,0,0,0,0|2,0,1]=4 1398 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [0,1,0,0,0,0|2,0,1]=4 1399 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [0,1,0,0,0,0|3,0,0]=4 1400 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [0,1,0,0,0,0|3,0,0]=4 1401 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [0,1,0,0,0,0|3,0,0]=4 1402 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [0,1,0,0,0,0|3,0,0]=4 1403 B11R1.41 CCOc1cnccc1C#N 7a_100012181322_100000210202 [0,1,0,0,0,0|2,0,1]=4 1404 B11R1.41 CCOc1cnccc1CO 34a_100000078615_100000210202 [0,1,0,0,0,0|1,0,2]=4 1405 B11R1.41 CCOc1cnccc1OC 34a_100000101186_100000210202 [0,1,0,0,0,0|2,0,1]=4 1406 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [0,1,0,0,0,0|2,0,1]=4 1407 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [0,1,0,0,0,0|2,0,1]=4 1408 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [0,1,0,0,0,0|2,0,1]=4 1409 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [0,1,0,0,0,0|3,0,0]=4 1410 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [0,1,0,0,0,0|3,0,0]=4 1411 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [0,1,0,0,0,0|3,0,0]=4 1412 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [0,1,0,0,0,0|3,0,0]=4 1413 B11R1.41 CCSc1ccccc1C#N 62a_100000210202_100000188569 [0,1,0,0,0,0|1,1,1]=4 1414 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [0,1,0,0,0,0|0,1,0]=2 1415 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [0,1,0,0,0,0|0,1,0]=2 1416 B11R1.41 CCSc1ccccc1CC 62a_100000210202_100011215823 [0,1,0,0,0,0|1,1,1]=4 1417 B11R1.41 CCSc1ccccc1CC 62a_100011215823_100000210202 [0,1,0,0,0,0|1,1,1]=4 1418 B11R1.41 CCSc1ccccc1CN 62a_100000210202_100000689332 [0,1,0,0,0,0|1,1,1]=4 1419 B11R1.41 CCSc1ccccc1CN 62a_100000689332_100000210202 [0,1,0,0,0,0|1,1,1]=4 1420 B11R1.41 CCSc1ccccc1CO 62a_100000187465_100000210202 [0,1,0,0,0,0|0,1,2]=4 1421 B11R1.41 CCSc1ccccc1CO 62a_100000210202_100000187465 [0,1,0,0,0,0|0,1,2]=4 1422 B11R1.41 CCSc1ccccc1NC 34a_100011223125_200000210301 [0,1,0,0,0,0|2,0,1]=4 1423 B11R1.41 CCSc1ccccc1NC 62a_100000210202_100020606079 [0,1,0,0,0,0|2,0,1]=4 1424 B11R1.41 CCSc1ccccc1NC 62a_100020606079_100000210202 [0,1,0,0,0,0|2,0,1]=4 1425 B11R1.41 CCSc1ccccc1NN 62a_100000210202_100000241748 [0,1,0,0,0,0|2,1,0]=4 1426 B11R1.41 CCSc1ccccc1NN 62a_100000241748_100000210202 [0,1,0,0,0,0|2,1,0]=4 1427 B11R1.41 CCSc1ccccc1N[13CH3] 34a_100011223125_200025704644 [0,1,0,0,0,0|2,0,1]=4 1428 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [0,1,0,0,0,0|1,0,1]=3 1429 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [0,1,0,0,0,0|1,0,1]=3 1430 B11R1.41 CCSc1ccccc1SC 62a_100000210202_100011217816 [0,1,0,0,0,0|1,1,1]=4 1431 B11R1.41 CCSc1ccccc1SC 62a_100000230856_200000210301 [0,1,0,0,0,0|1,1,1]=4 1432 B11R1.41 CCSc1ccccc1SC 62a_100011217816_100000210202 [0,1,0,0,0,0|1,1,1]=4 1433 B11R1.41 CCSc1ccccc1SC 62a_200000210301_100000230856 [0,1,0,0,0,0|1,1,1]=4 1434 B11R1.41 CCSc1ccccc1S[13CH3] 62a_100000230856_200025704644 [0,1,0,0,0,0|1,1,1]=4 1435 B11R1.41 CCSc1ccccc1S[13CH3] 62a_200025704644_100000230856 [0,1,0,0,0,0|1,1,1]=4 1436 B11R1.41 CCSc1cccnc1C=O 62a_100000210202_100011934733 [0,1,0,0,0,0|1,1,0]=3 1437 B11R1.41 CCSc1cccnc1C=O 62a_100011934733_100000210202 [0,1,0,0,0,0|1,1,0]=3 1438 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [0,1,0,0,0,0|2,0,1]=4 1439 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [0,1,0,0,0,0|2,0,1]=4 1440 B11R1.41 CCSc1ccncc1C=O 62a_100000050567_100000210202 [0,1,0,0,0,0|1,1,0]=3 1441 B11R1.41 CCSc1ccncc1C=O 62a_100000210202_100000050567 [0,1,0,0,0,0|1,1,0]=3 1442 B11R1.41 CCSc1ccncc1OC 62a_100000210202_100016988167 [0,1,0,0,0,0|2,0,1]=4 1443 B11R1.41 CCSc1ccncc1OC 62a_100016988167_100000210202 [0,1,0,0,0,0|2,0,1]=4 1444 B11R1.41 CCSc1cnccc1C=O 62a_100000210202_100011934409 [0,1,0,0,0,0|1,1,0]=3 1445 B11R1.41 CCSc1cnccc1C=O 62a_100011934409_100000210202 [0,1,0,0,0,0|1,1,0]=3 1446 B11R1.41 CCSc1cnccc1OC 62a_100000210202_100011997281 [0,1,0,0,0,0|2,0,1]=4 1447 B11R1.41 CCSc1cnccc1OC 62a_100011997281_100000210202 [0,1,0,0,0,0|2,0,1]=4 1448 B11R1.41 CCSc1ncccc1C=O 62a_100000210202_100009816751 [0,1,0,0,0,0|1,1,0]=3 1449 B11R1.41 CCSc1ncccc1C=O 62a_100009816751_100000210202 [0,1,0,0,0,0|1,1,0]=3 1450 B11R1.41 CCSc1ncccc1OC 62a_100000210202_100000690851 [0,1,0,0,0,0|2,0,1]=4 1451 B11R1.41 CCSc1ncccc1OC 62a_100000767102_100000210202 [0,1,0,0,0,0|2,0,1]=4 1452 B11R1.41 CCSc1nccnc1C=O 62a_100000051000_100000210202 [0,1,0,0,0,0|2,1,0]=4 1453 B11R1.41 CCSc1nccnc1C=O 62a_100000210202_100000051000 [0,1,0,0,0,0|2,1,0]=4 1454 B11R1.41 CCc1ccccc1CNC 207a_100102657272_100011219594 [0,1,0,0,0,0|2,0,1]=4 1455 B11R1.41 CCc1ccccc1CNC 270004a_106832991635_100011219594 [0,1,0,0,0,0|2,0,1]=4 1456 B11R1.41 CCc1ccccc1COC 34a_100011663872_200000210301 [0,1,0,0,0,0|1,0,1]=3 1457 B11R1.41 CCc1ccccc1COC 7a_100011663872_200000210301 [0,1,0,0,0,0|1,0,1]=3 1458 B11R1.41 CCc1ccccc1CO[13CH3] 34a_100011663872_200025704644 [0,1,0,0,0,0|1,0,1]=3 1459 B11R1.41 CCc1ccccc1CO[13CH3] 7a_100011663872_200025704644 [0,1,0,0,0,0|1,0,1]=3 1460 B11R1.41 CCc1ccccc1NCF 34a_100000212081_100015361967 [0,1,0,0,0,0|2,0,1]=4 1461 B11R1.41 CCc1ccccc1NCF 7a_100000212081_100015361967 [0,1,0,0,0,0|2,0,1]=4 1462 B11R1.41 CCc1ccccc1OCF 34a_100000210936_100015361967 [0,1,0,0,0,0|1,0,1]=3 1463 B11R1.41 CCc1ccccc1OCF 7a_100000210936_100015361967 [0,1,0,0,0,0|1,0,1]=3 1464 B11R1.41 CCc1ccccc1SCF 62a_100011215823_100015361967 [0,1,0,0,0,0|1,1,1]=4 1465 B11R1.41 CCc1ccccc1SCF 62a_100015361967_100011215823 [0,1,0,0,0,0|1,1,1]=4 1466 B11R1.41 CNCc1ccccc1C#N 2230a_106832991635_100000181865 [0,1,0,0,0,0|2,0,1]=4 1467 B11R1.41 CNCc1ccccc1C#N 34a_100016989011_200000210301 [0,1,0,0,0,0|2,0,1]=4 1468 B11R1.41 CNCc1ccccc1C#N 34a_100102657272_100000181865 [0,1,0,0,0,0|2,0,1]=4 1469 B11R1.41 CNCc1ccccc1C#N 7a_106832991635_100000181865 [0,1,0,0,0,0|2,0,1]=4 1470 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [0,1,0,0,0,0|1,0,0]=2 1471 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [0,1,0,0,0,0|1,0,0]=2 1472 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [0,1,0,0,0,0|1,0,0]=2 1473 B11R1.41 CNCc1ccccc1CO 2230a_106832991635_100009816955 [0,1,0,0,0,0|1,0,2]=4 1474 B11R1.41 CNCc1ccccc1CO 34a_100102657272_100009816955 [0,1,0,0,0,0|1,0,2]=4 1475 B11R1.41 CNCc1ccccc1CO 7a_106832991635_100009816955 [0,1,0,0,0,0|1,0,2]=4 1476 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [0,1,0,0,0,0|1,0,1]=3 1477 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [0,1,0,0,0,0|1,0,1]=3 1478 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [0,1,0,0,0,0|1,0,1]=3 1479 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [0,1,0,0,0,0|1,0,1]=3 1480 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [0,1,0,0,0,0|1,0,1]=3 1481 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [0,1,0,0,0,0|1,0,1]=3 1482 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [0,1,0,0,0,0|1,0,1]=3 1483 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [0,1,0,0,0,0|1,0,1]=3 1484 B11R1.41 CNCc1ccccc1SC 207a_100102657272_100011217347 [0,1,0,0,0,0|1,1,1]=4 1485 B11R1.41 CNCc1ccccc1SC 2230a_106832991635_100000699184 [0,1,0,0,0,0|1,1,1]=4 1486 B11R1.41 CNCc1ccccc1SC 270004a_106832991635_100011217347 [0,1,0,0,0,0|1,1,1]=4 1487 B11R1.41 CNCc1ccccc1SC 34a_100102657272_100000699184 [0,1,0,0,0,0|1,1,1]=4 1488 B11R1.41 CNCc1ccccc1SC 34a_102495365025_200000210301 [0,1,0,0,0,0|1,1,1]=4 1489 B11R1.41 CNCc1ccccc1SC 62a_100000184654_200000210301 [0,1,0,0,0,0|1,1,1]=4 1490 B11R1.41 CNCc1ccccc1SC 62a_200000210301_100000184654 [0,1,0,0,0,0|1,1,1]=4 1491 B11R1.41 CNCc1ccccc1SC 7a_106832991635_100000699184 [0,1,0,0,0,0|1,1,1]=4 1492 B11R1.41 CNCc1ccccc1S[13CH3] 62a_100000184654_200025704644 [0,1,0,0,0,0|1,1,1]=4 1493 B11R1.41 CNCc1ccccc1S[13CH3] 62a_200025704644_100000184654 [0,1,0,0,0,0|1,1,1]=4 1494 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [0,1,0,0,0,0|2,0,1]=4 1495 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [0,1,0,0,0,0|2,0,1]=4 1496 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [0,1,0,0,0,0|2,0,1]=4 1497 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [0,1,0,0,0,0|2,0,1]=4 1498 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [0,1,0,0,0,0|2,0,1]=4 1499 B11R1.41 CNCc1ccncc1OC 207a_100102657272_100011361505 [0,1,0,0,0,0|2,0,1]=4 1500 B11R1.41 CNCc1ccncc1OC 2230a_106832991635_100020635607 [0,1,0,0,0,0|2,0,1]=4 1501 B11R1.41 CNCc1ccncc1OC 270004a_106832991635_100011361505 [0,1,0,0,0,0|2,0,1]=4 1502 B11R1.41 CNCc1ccncc1OC 7a_106832991635_100020635607 [0,1,0,0,0,0|2,0,1]=4 1503 B11R1.41 CNCc1cnccc1OC 207a_100102657272_200011997045 [0,1,0,0,0,0|2,0,1]=4 1504 B11R1.41 CNCc1cnccc1OC 270004a_106832991635_200011997045 [0,1,0,0,0,0|2,0,1]=4 1505 B11R1.41 CNCc1ncccc1OC 207a_100102657272_100011912573 [0,1,0,0,0,0|2,0,1]=4 1506 B11R1.41 CNCc1ncccc1OC 270004a_106832991635_100011912573 [0,1,0,0,0,0|2,0,1]=4 1507 B11R1.41 CNc1ccccc1CCO 2230a_100011215289_200000210301 [0,1,0,0,0,0|1,0,2]=4 1508 B11R1.41 CNc1ccccc1CCO 34a_100011215289_200000210301 [0,1,0,0,0,0|1,0,2]=4 1509 B11R1.41 CNc1ccccc1OCF 34a_100000033821_100015361967 [0,1,0,0,0,0|2,0,0]=3 1510 B11R1.41 CNc1ccccc1SCF 62a_100015361967_100020606079 [0,1,0,0,0,0|2,0,1]=4 1511 B11R1.41 CNc1ccccc1SCF 62a_100020606079_100015361967 [0,1,0,0,0,0|2,0,1]=4 1512 B11R1.41 COCc1ccccc1C#N 34a_100138415774_100000181865 [0,1,0,0,0,0|1,0,1]=3 1513 B11R1.41 COCc1ccccc1C#N 34a_200011269968_200000210301 [0,1,0,0,0,0|1,0,1]=3 1514 B11R1.41 COCc1ccccc1C#N 7a_200011269968_200000210301 [0,1,0,0,0,0|1,0,1]=3 1515 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [0,1,0,0,0,0|0,0,0]=1 1516 B11R1.41 COCc1ccccc1CBr 34a_100009816955_200000210301 [0,1,0,0,0,0|1,0,1]=3 1517 B11R1.41 COCc1ccccc1CBr 7a_100009816955_200000210301 [0,1,0,0,0,0|1,0,1]=3 1518 B11R1.41 COCc1ccccc1CN 34a_100000743596_200000210301 [0,1,0,0,0,0|1,0,1]=3 1519 B11R1.41 COCc1ccccc1CO 34a_100138415774_100009816955 [0,1,0,0,0,0|0,0,2]=3 1520 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [0,1,0,0,0,0|0,0,2]=3 1521 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [0,1,0,0,0,0|0,0,2]=3 1522 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [0,1,0,0,0,0|0,0,2]=3 1523 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [0,1,0,0,0,0|0,0,2]=3 1524 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [0,1,0,0,0,0|0,0,2]=3 1525 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [0,1,0,0,0,0|0,0,2]=3 1526 B11R1.41 COCc1ccccc1SC 34a_100000699167_200000210301 [0,1,0,0,0,0|2,0,0]=3 1527 B11R1.41 COCc1ccccc1SC 34a_100138415774_100000699184 [0,1,0,0,0,0|2,0,0]=3 1528 B11R1.41 COCc1ccccc1SC 62a_100011493684_200000210301 [0,1,0,0,0,0|2,0,0]=3 1529 B11R1.41 COCc1ccccc1SC 62a_200000210301_100011493684 [0,1,0,0,0,0|2,0,0]=3 1530 B11R1.41 COCc1ccccc1S[13CH3] 62a_100011493684_200025704644 [0,1,0,0,0,0|2,0,0]=3 1531 B11R1.41 COCc1ccccc1S[13CH3] 62a_200025704644_100011493684 [0,1,0,0,0,0|2,0,0]=3 1532 B11R1.41 COCc1cccnc1C#N 34a_100138415774_100011768898 [0,1,0,0,0,0|2,0,1]=4 1533 B11R1.41 COCc1cccnc1OC 34a_100000717863_200000210301 [0,1,0,0,0,0|1,0,2]=4 1534 B11R1.41 COCc1cccnc1OC 34a_100138415774_100020631285 [0,1,0,0,0,0|1,0,2]=4 1535 B11R1.41 COCc1ncccc1OC 34a_100011998681_200000210301 [0,1,0,0,0,0|1,0,2]=4 1536 B11R1.41 COc1ccccc1CC#N 34a_100000043107_200000210301 [0,1,0,0,0,0|1,0,1]=3 1537 B11R1.41 COc1ccccc1CC#N 7a_100000043107_200000210301 [0,1,0,0,0,0|1,0,1]=3 1538 B11R1.41 COc1ccccc1CCBr 34a_100000722297_200000210301 [0,1,0,0,0,0|1,0,1]=3 1539 B11R1.41 COc1ccccc1CCBr 7a_100000722297_200000210301 [0,1,0,0,0,0|1,0,1]=3 1540 B11R1.41 COc1ccccc1CCN 34a_100011207237_200000210301 [0,1,0,0,0,0|1,0,1]=3 1541 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [0,1,0,0,0,0|0,0,2]=3 1542 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [0,1,0,0,0,0|0,0,2]=3 1543 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [0,1,0,0,0,0|1,0,1]=3 1544 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [0,1,0,0,0,0|0,0,2]=3 1545 B11R1.41 COc1ccccc1CSC 62a_100000210004_200000210301 [0,1,0,0,0,0|0,1,1]=3 1546 B11R1.41 COc1ccccc1CSC 62a_200000210301_100000210004 [0,1,0,0,0,0|0,1,1]=3 1547 B11R1.41 COc1ccccc1CS[13CH3] 62a_100000210004_200025704644 [0,1,0,0,0,0|0,1,1]=3 1548 B11R1.41 COc1ccccc1CS[13CH3] 62a_200025704644_100000210004 [0,1,0,0,0,0|0,1,1]=3 1549 B11R1.41 COc1ccccc1NCF 34a_100000210025_100015361967 [0,1,0,0,0,0|1,0,1]=3 1550 B11R1.41 COc1ccccc1OCF 34a_100000210385_100015361967 [0,1,0,0,0,0|1,0,1]=3 1551 B11R1.41 COc1ccccc1SCF 62a_100000210334_100015361967 [0,1,0,0,0,0|1,0,1]=3 1552 B11R1.41 COc1ccccc1SCF 62a_100015361967_100000210334 [0,1,0,0,0,0|1,0,1]=3 1553 B11R1.41 COc1cccnc1CO[13CH3] 34a_100011998681_200025704644 [0,1,0,0,0,0|1,0,2]=4 1554 B11R1.41 COc1cccnc1OCF 34a_100025773188_100015361967 [0,1,0,0,0,0|2,0,1]=4 1555 B11R1.41 COc1cccnc1SCF 62a_100000767102_100015361967 [0,1,0,0,0,0|2,0,1]=4 1556 B11R1.41 COc1cccnc1SCF 62a_100015361967_100000690851 [0,1,0,0,0,0|2,0,1]=4 1557 B11R1.41 COc1ccncc1OCF 34a_100000101186_100015361967 [0,1,0,0,0,0|2,0,1]=4 1558 B11R1.41 COc1ccncc1SCF 62a_100011997281_100015361967 [0,1,0,0,0,0|2,0,1]=4 1559 B11R1.41 COc1ccncc1SCF 62a_100015361967_100011997281 [0,1,0,0,0,0|2,0,1]=4 1560 B11R1.41 COc1cnccc1CSC 62a_100020635607_200000210301 [0,1,0,0,0,0|1,1,1]=4 1561 B11R1.41 COc1cnccc1CSC 62a_200000210301_100020635607 [0,1,0,0,0,0|1,1,1]=4 1562 B11R1.41 COc1cnccc1CS[13CH3] 62a_100020635607_200025704644 [0,1,0,0,0,0|1,1,1]=4 1563 B11R1.41 COc1cnccc1CS[13CH3] 62a_200025704644_100020635607 [0,1,0,0,0,0|1,1,1]=4 1564 B11R1.41 COc1cnccc1SCF 62a_100015361967_100016988167 [0,1,0,0,0,0|2,0,1]=4 1565 B11R1.41 COc1cnccc1SCF 62a_100016988167_100015361967 [0,1,0,0,0,0|2,0,1]=4 1566 B11R1.41 COc1ncccc1CO[13CH3] 34a_100000717863_200025704644 [0,1,0,0,0,0|1,0,2]=4 1567 B11R1.41 COc1ncccc1CSC 62a_100020631285_200000210301 [0,1,0,0,0,0|1,1,1]=4 1568 B11R1.41 COc1ncccc1CSC 62a_200000210301_100020631285 [0,1,0,0,0,0|1,1,1]=4 1569 B11R1.41 COc1ncccc1CS[13CH3] 62a_100020631285_200025704644 [0,1,0,0,0,0|1,1,1]=4 1570 B11R1.41 COc1ncccc1CS[13CH3] 62a_200025704644_100020631285 [0,1,0,0,0,0|1,1,1]=4 1571 B11R1.41 COc1ncccc1OCF 34a_100000698397_100015361967 [0,1,0,0,0,0|2,0,1]=4 1572 B11R1.41 COc1ncccc1OCF 7a_100000698397_100015361967 [0,1,0,0,0,0|2,0,1]=4 1573 B11R1.41 COc1ncccc1SCF 62a_100000047025_100015361967 [0,1,0,0,0,0|2,0,1]=4 1574 B11R1.41 COc1ncccc1SCF 62a_100015361967_100000047025 [0,1,0,0,0,0|2,0,1]=4 1575 B11R1.41 CSCc1ccccc1C#N 62a_100000186380_200000210301 [0,1,0,0,0,0|1,1,1]=4 1576 B11R1.41 CSCc1ccccc1C#N 62a_200000210301_100000181865 [0,1,0,0,0,0|1,1,1]=4 1577 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [0,1,0,0,0,0|0,1,0]=2 1578 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [0,1,0,0,0,0|0,1,0]=2 1579 B11R1.41 CSCc1ccccc1CO 62a_100009816955_200000210301 [0,1,0,0,0,0|0,1,2]=4 1580 B11R1.41 CSCc1ccccc1CO 62a_200000210301_100009816955 [0,1,0,0,0,0|0,1,2]=4 1581 B11R1.41 CSCc1ccccc1SC 62a_100000148299_200000210301 [0,1,0,0,0,0|0,2,1]=4 1582 B11R1.41 CSCc1ccccc1SC 62a_100000699184_200000210301 [0,1,0,0,0,0|0,2,1]=4 1583 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000148299 [0,1,0,0,0,0|0,2,1]=4 1584 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000699184 [0,1,0,0,0,0|0,2,1]=4 1585 B11R1.41 CSCc1ccccc1S[13CH3] 62a_100000148299_200025704644 [0,1,0,0,0,0|0,2,1]=4 1586 B11R1.41 CSCc1ccccc1S[13CH3] 62a_200025704644_100000148299 [0,1,0,0,0,0|0,2,1]=4 1587 B11R1.41 CSc1ccccc1CC#N 62a_100000033512_200000210301 [0,1,0,0,0,0|1,1,1]=4 1588 B11R1.41 CSc1ccccc1CC#N 62a_200000210301_100000033512 [0,1,0,0,0,0|1,1,1]=4 1589 B11R1.41 CSc1ccccc1CCN 62a_100000747383_200000210301 [0,1,0,0,0,0|1,1,1]=4 1590 B11R1.41 CSc1ccccc1CCN 62a_200000210301_100000747383 [0,1,0,0,0,0|1,1,1]=4 1591 B11R1.41 CSc1ccccc1CCO 62a_100000731337_200000210301 [0,1,0,0,0,0|0,1,2]=4 1592 B11R1.41 CSc1ccccc1CCO 62a_200000210301_100000731337 [0,1,0,0,0,0|0,1,2]=4 1593 B11R1.41 CSc1ccccc1CNN 62a_200000210301_200016993956 [0,1,0,0,0,0|1,1,1]=4 1594 B11R1.41 CSc1ccccc1CNN 62a_200016993956_200000210301 [0,1,0,0,0,0|1,1,1]=4 1595 B11R1.41 CSc1ccccc1CN[13CH3] 34a_102495365025_200025704644 [0,1,0,0,0,0|1,1,1]=4 1596 B11R1.41 CSc1ccccc1CO[13CH3] 34a_100000699167_200025704644 [0,1,0,0,0,0|2,0,0]=3 1597 B11R1.41 CSc1ccccc1CS[13CH3] 62a_100000699184_200025704644 [0,1,0,0,0,0|0,2,1]=4 1598 B11R1.41 CSc1ccccc1CS[13CH3] 62a_200025704644_100000699184 [0,1,0,0,0,0|0,2,1]=4 1599 B11R1.41 CSc1ccccc1N=[N+]=[N-] 62a_200000210301_100000762926 [0,1,0,0,0,0|2,1,0]=4 1600 B11R1.41 CSc1ccccc1NC#N 62a_200000210301_100011685340 [0,1,0,0,0,0|1,1,1]=4 1601 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [0,1,0,0,0,0|0,1,0]=2 1602 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [0,1,0,0,0,0|0,1,0]=2 1603 B11R1.41 CSc1ccccc1NCF 34a_100000211160_100015361967 [0,1,0,0,0,0|1,1,1]=4 1604 B11R1.41 CSc1ccccc1OCF 34a_100011216402_100015361967 [0,1,0,0,0,0|2,0,0]=3 1605 B11R1.41 CSc1ccccc1SCF 62a_100011217816_100015361967 [0,1,0,0,0,0|1,1,1]=4 1606 B11R1.41 CSc1ccccc1SCF 62a_100015361967_100011217816 [0,1,0,0,0,0|1,1,1]=4 1607 B11R1.41 FCOc1cccnc1CBr 34a_200020655725_100015361967 [0,1,0,0,0,0|2,0,1]=4 1608 B11R1.41 FCOc1cccnc1CBr 7a_200020655725_100015361967 [0,1,0,0,0,0|2,0,1]=4 1609 B11R1.41 N#Cc1ccccc1NCF 34a_100000211148_100015361967 [0,1,0,0,0,0|2,0,1]=4 1610 B11R1.41 N#Cc1ccccc1OCF 34a_100000211048_100015361967 [0,1,0,0,0,0|1,0,1]=3 1611 B11R1.41 N#Cc1ccccc1OCF 7a_100000211048_100015361967 [0,1,0,0,0,0|1,0,1]=3 1612 B11R1.41 N#Cc1ccccc1SCF 62a_100015361967_100000188569 [0,1,0,0,0,0|1,1,1]=4 1613 B11R1.41 N#Cc1ccncc1OCF 7a_100012181322_100015361967 [0,1,0,0,0,0|2,0,1]=4 1614 B11R1.41 N#Cc1ncccc1OCF 34a_100000722750_100015361967 [0,1,0,0,0,0|2,0,1]=4 1615 B11R1.41 N#Cc1ncccc1OCF 7a_100000722750_100015361967 [0,1,0,0,0,0|2,0,1]=4 1616 B11R1.41 NCc1ccccc1OCF 34a_100000185550_100015361967 [0,1,0,0,0,0|1,0,1]=3 1617 B11R1.41 NCc1ccccc1SCF 62a_100000689332_100015361967 [0,1,0,0,0,0|1,1,1]=4 1618 B11R1.41 NCc1ccccc1SCF 62a_100015361967_100000689332 [0,1,0,0,0,0|1,1,1]=4 1619 B11R1.41 NNc1ccccc1SCF 62a_100000241748_100015361967 [0,1,0,0,0,0|2,1,0]=4 1620 B11R1.41 NNc1ccccc1SCF 62a_100015361967_100000241748 [0,1,0,0,0,0|2,1,0]=4 1621 B11R1.41 O=Cc1ccccc1SCF 62a_100000210073_100015361967 [0,1,0,0,0,0|0,1,0]=2 1622 B11R1.41 O=Cc1ccccc1SCF 62a_100015361967_100000210073 [0,1,0,0,0,0|0,1,0]=2 1623 B11R1.41 O=Cc1cccnc1SCF 62a_100009816751_100015361967 [0,1,0,0,0,0|1,1,0]=3 1624 B11R1.41 O=Cc1cccnc1SCF 62a_100015361967_100009816751 [0,1,0,0,0,0|1,1,0]=3 1625 B11R1.41 O=Cc1ccncc1SCF 62a_100011934409_100015361967 [0,1,0,0,0,0|1,1,0]=3 1626 B11R1.41 O=Cc1ccncc1SCF 62a_100015361967_100011934409 [0,1,0,0,0,0|1,1,0]=3 1627 B11R1.41 O=Cc1cnccc1SCF 62a_100000050567_100015361967 [0,1,0,0,0,0|1,1,0]=3 1628 B11R1.41 O=Cc1cnccc1SCF 62a_100015361967_100000050567 [0,1,0,0,0,0|1,1,0]=3 1629 B11R1.41 O=Cc1ncccc1SCF 62a_100011934733_100015361967 [0,1,0,0,0,0|1,1,0]=3 1630 B11R1.41 O=Cc1ncccc1SCF 62a_100015361967_100011934733 [0,1,0,0,0,0|1,1,0]=3 1631 B11R1.41 O=Cc1nccnc1SCF 62a_100000051000_100015361967 [0,1,0,0,0,0|2,1,0]=4 1632 B11R1.41 O=Cc1nccnc1SCF 62a_100015361967_100000051000 [0,1,0,0,0,0|2,1,0]=4 1633 B11R1.41 OCc1ccccc1NCF 34a_100000212039_100015361967 [0,1,0,0,0,0|1,0,2]=4 1634 B11R1.41 OCc1ccccc1OCF 34a_100011216872_100015361967 [0,1,0,0,0,0|0,0,2]=3 1635 B11R1.41 OCc1ccccc1SCF 62a_100000187465_100015361967 [0,1,0,0,0,0|0,1,2]=4 1636 B11R1.41 OCc1ccccc1SCF 62a_100015361967_100000187465 [0,1,0,0,0,0|0,1,2]=4 1637 B11R1.41 OCc1ccncc1OCF 34a_100000078615_100015361967 [0,1,0,0,0,0|1,0,2]=4 1638 B11R1.41 OCc1ncccc1OCF 34a_100000731849_100015361967 [0,1,0,0,0,0|1,0,2]=4 1639 B11R1.41 [13CH3]NCc1ccccc1C#N 34a_100016989011_200025704644 [0,1,0,0,0,0|2,0,1]=4 1640 B11R1.41 [13CH3]Nc1ccccc1CCO 2230a_100011215289_200025704644 [0,1,0,0,0,0|1,0,2]=4 1641 B11R1.41 [13CH3]Nc1ccccc1CCO 34a_100011215289_200025704644 [0,1,0,0,0,0|1,0,2]=4 1642 B11R1.41 [13CH3]OCc1ccccc1C#N 34a_200011269968_200025704644 [0,1,0,0,0,0|1,0,1]=3 1643 B11R1.41 [13CH3]OCc1ccccc1C#N 7a_200011269968_200025704644 [0,1,0,0,0,0|1,0,1]=3 1644 B11R1.41 [13CH3]OCc1ccccc1CBr 34a_100009816955_200025704644 [0,1,0,0,0,0|1,0,1]=3 1645 B11R1.41 [13CH3]OCc1ccccc1CBr 7a_100009816955_200025704644 [0,1,0,0,0,0|1,0,1]=3 1646 B11R1.41 [13CH3]OCc1ccccc1CN 34a_100000743596_200025704644 [0,1,0,0,0,0|1,0,1]=3 1647 B11R1.41 [13CH3]Oc1ccccc1CC#N 34a_100000043107_200025704644 [0,1,0,0,0,0|1,0,1]=3 1648 B11R1.41 [13CH3]Oc1ccccc1CC#N 7a_100000043107_200025704644 [0,1,0,0,0,0|1,0,1]=3 1649 B11R1.41 [13CH3]Oc1ccccc1CCBr 34a_100000722297_200025704644 [0,1,0,0,0,0|1,0,1]=3 1650 B11R1.41 [13CH3]Oc1ccccc1CCBr 7a_100000722297_200025704644 [0,1,0,0,0,0|1,0,1]=3 1651 B11R1.41 [13CH3]Oc1ccccc1CCN 34a_100011207237_200025704644 [0,1,0,0,0,0|1,0,1]=3 1652 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [0,1,0,0,0,0|0,0,2]=3 1653 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [0,1,0,0,0,0|0,0,2]=3 1654 B11R1.41 [13CH3]SCc1ccccc1C#N 62a_100000186380_200025704644 [0,1,0,0,0,0|1,1,1]=4 1655 B11R1.41 [13CH3]SCc1ccccc1C#N 62a_200025704644_100000181865 [0,1,0,0,0,0|1,1,1]=4 1656 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [0,1,0,0,0,0|0,1,0]=2 1657 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [0,1,0,0,0,0|0,1,0]=2 1658 B11R1.41 [13CH3]SCc1ccccc1CO 62a_100009816955_200025704644 [0,1,0,0,0,0|0,1,2]=4 1659 B11R1.41 [13CH3]SCc1ccccc1CO 62a_200025704644_100009816955 [0,1,0,0,0,0|0,1,2]=4 1660 B11R1.41 [13CH3]Sc1ccccc1CC#N 62a_100000033512_200025704644 [0,1,0,0,0,0|1,1,1]=4 1661 B11R1.41 [13CH3]Sc1ccccc1CC#N 62a_200025704644_100000033512 [0,1,0,0,0,0|1,1,1]=4 1662 B11R1.41 [13CH3]Sc1ccccc1CCN 62a_100000747383_200025704644 [0,1,0,0,0,0|1,1,1]=4 1663 B11R1.41 [13CH3]Sc1ccccc1CCN 62a_200025704644_100000747383 [0,1,0,0,0,0|1,1,1]=4 1664 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_100000731337_200025704644 [0,1,0,0,0,0|0,1,2]=4 1665 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_200025704644_100000731337 [0,1,0,0,0,0|0,1,2]=4 1666 B11R1.41 [13CH3]Sc1ccccc1CNN 62a_200016993956_200025704644 [0,1,0,0,0,0|1,1,1]=4 1667 B11R1.41 [13CH3]Sc1ccccc1CNN 62a_200025704644_200016993956 [0,1,0,0,0,0|1,1,1]=4 1668 B11R1.41 [13CH3]Sc1ccccc1N=[N+]=[N-] 62a_200025704644_100000762926 [0,1,0,0,0,0|2,1,0]=4 1669 B11R1.41 [13CH3]Sc1ccccc1NC#N 62a_200025704644_100011685340 [0,1,0,0,0,0|1,1,1]=4 1670 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [0,1,0,0,0,0|0,1,0]=2 1671 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [0,1,0,0,0,0|0,1,0]=2 1672 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,1,0,0,0,0|1,0,1]=3 1673 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,1,0,0,0,0|1,0,1]=3 1674 B11R1.53 C=C(C)c1ccccc1C#N 271570a_100000694244_100000188569 [0,1,0,0,0,0|2,0,1]=4 1675 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [0,1,0,0,0,0|1,0,0]=2 1676 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,1,0,0,0,0|2,0,0]=3 1677 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,1,0,0,0,0|2,0,1]=4 1678 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,1,0,0,0,0|1,0,2]=4 1679 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,1,0,0,0,0|2,0,0]=3 1680 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,1,0,0,0,0|2,0,0]=3 1681 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [0,1,0,0,0,0|3,0,0]=4 1682 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,1,0,0,0,0|2,0,0]=3 1683 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,1,0,0,0,0|1,0,0]=2 1684 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,1,0,0,0,0|1,1,0]=3 1685 B11R1.53 C=C(C)c1cccnc1C=O 271570a_100000694244_100011934733 [0,1,0,0,0,0|2,0,0]=3 1686 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [0,1,0,0,0,0|3,0,0]=4 1687 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [0,1,0,0,0,0|3,0,0]=4 1688 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,1,0,0,0,0|2,0,0]=3 1689 B11R1.53 C=C(C)c1cccnc1SC 271570a_100000694244_100011465278 [0,1,0,0,0,0|2,1,0]=4 1690 B11R1.53 C=C(C)c1ccncc1C=O 271570a_100000694244_100000050567 [0,1,0,0,0,0|2,0,0]=3 1691 B11R1.53 C=C(C)c1ccncc1CC 271570a_100000694244_100025704421 [0,1,0,0,0,0|3,0,0]=4 1692 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [0,1,0,0,0,0|2,0,0]=3 1693 B11R1.53 C=C(C)c1cnccc1C=O 271570a_100000694244_100011934409 [0,1,0,0,0,0|2,0,0]=3 1694 B11R1.53 C=C(C)c1cnccc1CC 271570a_100000694244_100009819861 [0,1,0,0,0,0|3,0,0]=4 1695 B11R1.53 C=C(C)c1cnccc1NC 271570a_100000694244_100010069531 [0,1,0,0,0,0|3,0,0]=4 1696 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [0,1,0,0,0,0|2,0,0]=3 1697 B11R1.53 C=C(C)c1cncnc1OC 271570a_100000694244_100000719902 [0,1,0,0,0,0|3,0,0]=4 1698 B11R1.53 C=C(C)c1ncccc1C=O 271570a_100000694244_100009816751 [0,1,0,0,0,0|2,0,0]=3 1699 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [0,1,0,0,0,0|3,0,0]=4 1700 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,1,0,0,0,0|2,0,0]=3 1701 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [0,1,0,0,0,0|3,0,0]=4 1702 B11R1.53 C=C(C)c1ncncc1OC 271570a_100000694244_100012001275 [0,1,0,0,0,0|3,0,0]=4 1703 B11R1.53 C=Cc1ccccc1B(O)O 271570a_100011290941_100000693059 [0,1,0,0,0,0|3,0,0]=4 1704 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,1,0,0,0,0|1,0,1]=3 1705 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,1,0,0,0,0|1,0,1]=3 1706 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [0,1,0,0,0,0|1,0,1]=3 1707 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,1,0,0,0,0|1,0,1]=3 1708 B11R1.53 C=Cc1ccccc1C(C)C 271570a_100011290941_100011218076 [0,1,0,0,0,0|2,0,0]=3 1709 B11R1.53 C=Cc1ccccc1C(C)N 271570a_100011290941_100000181357 [0,1,0,0,0,0|2,0,0]=3 1710 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [0,1,0,0,0,0|2,0,0]=3 1711 B11R1.53 C=Cc1ccccc1C(F)F 271570a_100011290941_100010169824 [0,1,0,0,0,0|3,0,0]=4 1712 B11R1.53 C=Cc1ccccc1N(C)C 271570a_100011290941_100011290883 [0,1,0,0,0,0|2,0,0]=3 1713 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [0,1,0,0,0,0|1,1,0]=3 1714 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,1,0,0,0,0|2,0,1]=4 1715 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,1,0,0,0,0|2,0,1]=4 1716 B11R1.53 C=Cc1cccnc1C(C)N 271570a_100011290941_100159271932 [0,1,0,0,0,0|3,0,0]=4 1717 B11R1.53 C=Cc1cccnc1N(C)C 271570a_100011290941_100011465059 [0,1,0,0,0,0|3,0,0]=4 1718 B11R1.53 C=Cc1cccnc1[C@H](C)O 271570a_100011290941_100013325542 [0,1,0,0,0,0|3,0,0]=4 1719 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [0,1,0,0,0,0|2,0,1]=4 1720 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [0,1,0,0,0,0|2,0,1]=4 1721 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [0,1,0,0,0,0|2,0,1]=4 1722 B11R1.53 C=Cc1cnccc1C(=O)N 271570a_100011290941_100010205435 [0,1,0,0,0,0|2,0,1]=4 1723 B11R1.53 C=Cc1cnccc1N(C)C 271570a_100011290941_100012355995 [0,1,0,0,0,0|3,0,0]=4 1724 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,1,0,0,0,0|2,0,1]=4 1725 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [0,1,0,0,0,0|2,0,1]=4 1726 B11R1.53 C=Cc1ncccc1C(C)C 271570a_100011290941_200010382935 [0,1,0,0,0,0|3,0,0]=4 1727 B11R1.53 C=Cc1ncccc1C(C)O 271570a_100011290941_100009865335 [0,1,0,0,0,0|3,0,0]=4 1728 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,1,0,0,0,0|2,0,0]=3 1729 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,1,0,0,0,0|2,0,0]=3 1730 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,1,0,0,0,0|2,0,0]=3 1731 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,1,0,0,0,0|0,1,0]=2 1732 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,1,0,0,0,0|1,1,0]=3 1733 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,1,0,0,0,0|1,1,0]=3 1734 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [0,1,0,0,0,0|1,0,0]=2 1735 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [0,1,0,0,0,0|1,1,0]=3 1736 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [0,1,0,0,0,0|1,1,0]=3 1737 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,1,0,0,0,0|1,1,0]=3 1738 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,1,0,0,0,0|1,1,0]=3 1739 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,1,0,0,0,0|1,0,0]=2 1740 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,1,0,0,0,0|1,0,0]=2 1741 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,1,0,0,0,0|1,1,0]=3 1742 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,1,0,0,0,0|1,1,0]=3 1743 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,1,0,0,0,0|2,1,0]=4 1744 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,1,0,0,0,0|2,1,0]=4 1745 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [0,1,0,0,0,0|2,0,1]=4 1746 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [0,1,0,0,0,0|2,0,1]=4 1747 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [0,1,0,0,0,0|2,0,1]=4 1748 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [0,1,0,0,0,0|1,0,1]=3 1749 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [0,1,0,0,0,0|1,0,1]=3 1750 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [0,1,0,0,0,0|1,1,1]=4 1751 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [0,1,0,0,0,0|1,1,1]=4 1752 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [0,1,0,0,0,0|2,0,1]=4 1753 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [0,1,0,0,0,0|2,0,1]=4 1754 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_100000181357_200025704644 [0,1,0,0,0,0|1,1,1]=4 1755 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_200025704644_100000181357 [0,1,0,0,0,0|1,1,1]=4 1756 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [0,1,0,0,0,0|1,0,2]=4 1757 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [0,1,0,0,0,0|0,0,2]=3 1758 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [0,1,0,0,0,0|0,0,2]=3 1759 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [0,1,0,0,0,0|0,1,2]=4 1760 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [0,1,0,0,0,0|0,1,2]=4 1761 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,1,0,0,0,0|1,0,0]=2 1762 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,1,0,0,0,0|1,0,0]=2 1763 B11R1.53 CN(C)c1ccccc1C#N 2230a_100000744078_200000210301 [0,1,0,0,0,0|2,0,1]=4 1764 B11R1.53 CN(C)c1ccccc1C#N 269982a_100000744078_200000210301 [0,1,0,0,0,0|2,0,1]=4 1765 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_100011290883_200025704644 [0,1,0,0,0,0|2,1,0]=4 1766 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_200025704644_100011290883 [0,1,0,0,0,0|2,1,0]=4 1767 B11R1.53 CN([13CH3])c1ccccc1C#N 2230a_100000744078_200025704644 [0,1,0,0,0,0|2,0,1]=4 1768 B11R1.53 CN([13CH3])c1ccccc1C#N 269982a_100000744078_200025704644 [0,1,0,0,0,0|2,0,1]=4 1769 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [0,1,0,0,0,0|1,0,0]=2 1770 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [0,1,0,0,0,0|2,0,1]=4 1771 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [0,1,0,0,0,0|2,0,1]=4 1772 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [0,1,0,0,0,0|2,0,1]=4 1773 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [0,1,0,0,0,0|1,0,2]=4 1774 B11R1.53 CNc1ccccc1C(F)F 2230a_100000734540_200000210301 [0,1,0,0,0,0|2,0,1]=4 1775 B11R1.53 CNc1ccccc1C(F)F 34a_100000734540_200000210301 [0,1,0,0,0,0|2,0,1]=4 1776 B11R1.53 CNc1ccccc1C(F)F 7a_100000734540_200000210301 [0,1,0,0,0,0|2,0,1]=4 1777 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [0,1,0,0,0,0|2,0,0]=3 1778 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,1,0,0,0,0|2,0,0]=3 1779 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [0,1,0,0,0,0|2,0,0]=3 1780 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,1,0,0,0,0|2,0,0]=3 1781 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [0,1,0,0,0,0|2,0,0]=3 1782 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,1,0,0,0,0|3,0,0]=4 1783 B11R1.53 CNc1nccnc1C(=O)N 27a_100102657272_100000094861 [0,1,0,0,0,0|3,0,0]=4 1784 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,1,0,0,0,0|0,0,0]=1 1785 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,1,0,0,0,0|0,0,0]=1 1786 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,1,0,0,0,0|0,0,0]=1 1787 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,1,0,0,0,0|0,0,0]=1 1788 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,1,0,0,0,0|0,0,0]=1 1789 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [0,1,0,0,0,0|0,1,0]=2 1790 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [0,1,0,0,0,0|1,0,1]=3 1791 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [0,1,0,0,0,0|1,0,1]=3 1792 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [0,1,0,0,0,0|0,0,2]=3 1793 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [0,1,0,0,0,0|0,0,2]=3 1794 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [0,1,0,0,0,0|2,0,0]=3 1795 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [0,1,0,0,0,0|2,0,0]=3 1796 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [0,1,0,0,0,0|2,0,0]=3 1797 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [0,1,0,0,0,0|2,0,0]=3 1798 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [0,1,0,0,0,0|2,0,0]=3 1799 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [0,1,0,0,0,0|2,0,0]=3 1800 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [0,1,0,0,0,0|1,0,1]=3 1801 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [0,1,0,0,0,0|1,0,0]=2 1802 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [0,1,0,0,0,0|1,0,0]=2 1803 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,1,0,0,0,0|1,0,0]=2 1804 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,1,0,0,0,0|1,0,0]=2 1805 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,1,0,0,0,0|1,0,0]=2 1806 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,1,0,0,0,0|1,0,0]=2 1807 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [0,1,0,0,0,0|2,0,1]=4 1808 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [0,1,0,0,0,0|2,0,1]=4 1809 B11R1.53 COc1cccnc1[N+](=O)[O-] 7a_100000183951_200000210301 [0,1,0,0,0,0|2,0,0]=3 1810 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [0,1,0,0,0,0|1,0,0]=2 1811 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [0,1,0,0,0,0|1,0,0]=2 1812 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [0,1,0,0,0,0|1,0,0]=2 1813 B11R1.53 COc1cnccc1C(F)F 34a_100010834524_200000210301 [0,1,0,0,0,0|2,0,1]=4 1814 B11R1.53 COc1cnccc1C(F)F 7a_100010834524_200000210301 [0,1,0,0,0,0|2,0,1]=4 1815 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [0,1,0,0,0,0|2,0,0]=3 1816 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,1,0,0,0,0|1,1,0]=3 1817 B11R1.53 CSc1ccccc1B(O)O 62a_100000693059_200000210301 [0,1,0,0,0,0|1,1,1]=4 1818 B11R1.53 CSc1ccccc1B(O)O 62a_200000210301_100000693059 [0,1,0,0,0,0|1,1,1]=4 1819 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,1,0,0,0,0|0,1,0]=2 1820 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,1,0,0,0,0|0,1,0]=2 1821 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [0,1,0,0,0,0|0,1,0]=2 1822 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [0,1,0,0,0,0|0,1,0]=2 1823 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,1,0,0,0,0|0,1,0]=2 1824 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,1,0,0,0,0|0,1,0]=2 1825 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,1,0,0,0,0|0,1,0]=2 1826 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [0,1,0,0,0,0|1,1,1]=4 1827 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [0,1,0,0,0,0|1,1,1]=4 1828 B11R1.53 CSc1ccccc1C(C)N 62a_100000181357_200000210301 [0,1,0,0,0,0|1,1,1]=4 1829 B11R1.53 CSc1ccccc1C(C)N 62a_200000210301_100000181357 [0,1,0,0,0,0|1,1,1]=4 1830 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [0,1,0,0,0,0|0,1,2]=4 1831 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [0,1,0,0,0,0|0,1,2]=4 1832 B11R1.53 CSc1ccccc1C(F)F 62a_100010169824_200000210301 [0,1,0,0,0,0|1,1,1]=4 1833 B11R1.53 CSc1ccccc1C(F)F 62a_200000210301_100010169824 [0,1,0,0,0,0|1,1,1]=4 1834 B11R1.53 CSc1ccccc1N(C)C 62a_100011290883_200000210301 [0,1,0,0,0,0|2,1,0]=4 1835 B11R1.53 CSc1ccccc1N(C)C 62a_200000210301_100011290883 [0,1,0,0,0,0|2,1,0]=4 1836 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,1,0,0,0,0|1,1,0]=3 1837 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,1,0,0,0,0|1,1,0]=3 1838 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,1,0,0,0,0|1,1,0]=3 1839 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [0,1,0,0,0,0|1,1,0]=3 1840 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [0,1,0,0,0,0|1,1,0]=3 1841 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,1,0,0,0,0|1,1,0]=3 1842 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,1,0,0,0,0|1,1,0]=3 1843 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [0,1,0,0,0,0|1,1,0]=3 1844 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [0,1,0,0,0,0|1,1,0]=3 1845 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [0,1,0,0,0,0|1,1,0]=3 1846 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [0,1,0,0,0,0|1,1,0]=3 1847 B11R1.53 CSc1cnccc1C(=O)N 62a_100010205435_200000210301 [0,1,0,0,0,0|1,1,0]=3 1848 B11R1.53 CSc1cnccc1C(=O)N 62a_200000210301_100010205435 [0,1,0,0,0,0|1,1,0]=3 1849 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,1,0,0,0,0|1,1,0]=3 1850 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,1,0,0,0,0|1,1,0]=3 1851 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [0,1,0,0,0,0|1,1,0]=3 1852 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [0,1,0,0,0,0|1,1,0]=3 1853 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,1,0,0,0,0|2,1,0]=4 1854 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,1,0,0,0,0|2,1,0]=4 1855 B11R1.53 CSc1nccnc1C(=O)N 62a_100000094861_200000210301 [0,1,0,0,0,0|2,1,0]=4 1856 B11R1.53 CSc1nccnc1C(=O)N 62a_200000210301_100000094861 [0,1,0,0,0,0|2,1,0]=4 1857 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [0,1,0,0,0,0|1,0,1]=3 1858 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,1,0,0,0,0|2,0,0]=3 1859 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,1,0,0,0,0|2,0,0]=3 1860 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,1,0,0,0,0|2,0,0]=3 1861 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [0,1,0,0,0,0|1,0,0]=2 1862 B11R1.53 [13CH3]Nc1ccccc1C(F)F 2230a_100000734540_200025704644 [0,1,0,0,0,0|2,0,1]=4 1863 B11R1.53 [13CH3]Nc1ccccc1C(F)F 34a_100000734540_200025704644 [0,1,0,0,0,0|2,0,1]=4 1864 B11R1.53 [13CH3]Nc1ccccc1C(F)F 7a_100000734540_200025704644 [0,1,0,0,0,0|2,0,1]=4 1865 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,1,0,0,0,0|0,0,0]=1 1866 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,1,0,0,0,0|0,0,0]=1 1867 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,1,0,0,0,0|0,0,0]=1 1868 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [0,1,0,0,0,0|0,1,0]=2 1869 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [0,1,0,0,0,0|1,0,0]=2 1870 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [0,1,0,0,0,0|1,0,0]=2 1871 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,1,0,0,0,0|1,0,0]=2 1872 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,1,0,0,0,0|1,0,0]=2 1873 B11R1.53 [13CH3]Oc1cccnc1[N+](=O)[O-] 7a_100000183951_200025704644 [0,1,0,0,0,0|2,0,0]=3 1874 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [0,1,0,0,0,0|1,0,0]=2 1875 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [0,1,0,0,0,0|1,0,0]=2 1876 B11R1.53 [13CH3]Oc1cnccc1C(F)F 34a_100010834524_200025704644 [0,1,0,0,0,0|2,0,1]=4 1877 B11R1.53 [13CH3]Oc1cnccc1C(F)F 7a_100010834524_200025704644 [0,1,0,0,0,0|2,0,1]=4 1878 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [0,1,0,0,0,0|2,0,0]=3 1879 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_100000693059_200025704644 [0,1,0,0,0,0|1,1,1]=4 1880 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_200025704644_100000693059 [0,1,0,0,0,0|1,1,1]=4 1881 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [0,1,0,0,0,0|0,1,0]=2 1882 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [0,1,0,0,0,0|0,1,0]=2 1883 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,1,0,0,0,0|0,1,0]=2 1884 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,1,0,0,0,0|0,1,0]=2 1885 B11R1.53 [13CH3]Sc1ccccc1C(F)F 62a_100010169824_200025704644 [0,1,0,0,0,0|1,1,1]=4 1886 B11R1.53 [13CH3]Sc1ccccc1C(F)F 62a_200025704644_100010169824 [0,1,0,0,0,0|1,1,1]=4 1887 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [0,1,0,0,0,0|1,1,0]=3 1888 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [0,1,0,0,0,0|1,1,0]=3 1889 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [0,1,0,0,0,0|1,1,0]=3 1890 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [0,1,0,0,0,0|1,1,0]=3 1891 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_100010205435_200025704644 [0,1,0,0,0,0|1,1,0]=3 1892 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_200025704644_100010205435 [0,1,0,0,0,0|1,1,0]=3 1893 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [0,1,0,0,0,0|1,1,0]=3 1894 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [0,1,0,0,0,0|1,1,0]=3 1895 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_100000094861_200025704644 [0,1,0,0,0,0|2,1,0]=4 1896 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_200025704644_100000094861 [0,1,0,0,0,0|2,1,0]=4 1897 B11R1.265 C=Cc1c(cccc1C#N)Br 271570a_100011290941_100000703783 [0,1,0,0,0,0|3,0,0]=4 1898 B11R1.265 C=Cc1c(cccc1C#N)C 271570a_100011290941_100011934862 [0,1,0,0,0,0|3,0,0]=4 1899 B11R1.265 C=Cc1c(cccc1C#N)Cl 271570a_100011290941_100010134094 [0,1,0,0,0,0|3,0,0]=4 1900 B11R1.265 C=Cc1c(cccc1C#N)F 271570a_100011290941_100011219237 [0,1,0,0,0,0|3,0,0]=4 1901 B11R1.265 C=Cc1c(cccc1C#N)N 271570a_100011290941_100009877206 [0,1,0,0,0,0|3,0,0]=4 1902 B11R1.265 C=Cc1c(cccc1C#N)O 271570a_100011290941_100009818990 [0,1,0,0,0,0|3,0,0]=4 1903 B11R1.265 C=Cc1c(cccc1C=O)F 271570a_100011290941_100011998484 [0,1,0,0,0,0|1,0,1]=3 1904 B11R1.265 C=Cc1c(cccc1C=O)O 271570a_100011290941_100009816417 [0,1,0,0,0,0|1,0,1]=3 1905 B11R1.265 C=Cc1c(cccc1CC)C 271570a_100011290941_100000036235 [0,1,0,0,0,0|2,0,0]=3 1906 B11R1.265 C=Cc1c(cccc1CO)Br 271570a_100011290941_100010146604 [0,1,0,0,0,0|3,0,0]=4 1907 B11R1.265 C=Cc1c(cccc1CO)C 271570a_100011290941_100011659289 [0,1,0,0,0,0|3,0,0]=4 1908 B11R1.265 C=Cc1c(cccc1CO)F 271570a_100011290941_100000692438 [0,1,0,0,0,0|3,0,0]=4 1909 B11R1.265 C=Cc1c(cccc1OC)Br 271570a_100011290941_100010131421 [0,1,0,0,0,0|1,0,0]=2 1910 B11R1.265 C=Cc1c(cccc1OC)F 271570a_100011290941_100000041735 [0,1,0,0,0,0|1,0,0]=2 1911 B11R1.265 C=Cc1c(cccc1OC)N 271570a_100011290941_100000703447 [0,1,0,0,0,0|1,0,0]=2 1912 B11R1.265 C=Cc1c(cccc1OC)O 271570a_100011290941_100010202623 [0,1,0,0,0,0|1,0,0]=2 1913 B11R1.265 C=Cc1c(ccnc1F)C=O 271570a_100011290941_100009856171 [0,1,0,0,0,0|2,0,1]=4 1914 B11R1.265 C=Cc1c(ccnc1OC)C 271570a_100011290941_100012353928 [0,1,0,0,0,0|2,0,0]=3 1915 B11R1.265 C=Cc1c(ccnc1OC)N 271570a_100011290941_100010243811 [0,1,0,0,0,0|2,0,0]=3 1916 B11R1.265 C=Cc1c(cn[nH]c1=O)OC 271570a_100011290941_100000020519 [0,1,0,0,0,0|3,0,0]=4 1917 B11R1.265 C=Cc1c(ncnc1OC)C 271570a_100011290941_100010110394 [0,1,0,0,0,0|3,0,0]=4 1918 B11R1.265 C=Cc1cccc(c1C#N)Br 271570a_100011290941_100010071968 [0,1,0,0,0,0|3,0,0]=4 1919 B11R1.265 C=Cc1cccc(c1C#N)C 271570a_100011290941_100009819585 [0,1,0,0,0,0|3,0,0]=4 1920 B11R1.265 C=Cc1cccc(c1C#N)Cl 271570a_100011290941_200000049503 [0,1,0,0,0,0|3,0,0]=4 1921 B11R1.265 C=Cc1cccc(c1C#N)F 271570a_100011290941_100000699744 [0,1,0,0,0,0|3,0,0]=4 1922 B11R1.265 C=Cc1cccc(c1C#N)N 271570a_100011290941_100011935054 [0,1,0,0,0,0|3,0,0]=4 1923 B11R1.265 C=Cc1cccc(c1C#N)O 271570a_100011290941_100012180507 [0,1,0,0,0,0|3,0,0]=4 1924 B11R1.265 C=Cc1cccc(c1C=O)C 271570a_100011290941_100000041122 [0,1,0,0,0,0|1,0,1]=3 1925 B11R1.265 C=Cc1cccc(c1C=O)Cl 271570a_100011290941_100010147682 [0,1,0,0,0,0|1,0,1]=3 1926 B11R1.265 C=Cc1cccc(c1C=O)F 271570a_100011290941_100000210083 [0,1,0,0,0,0|1,0,1]=3 1927 B11R1.265 C=Cc1cccc(c1C=O)N 271570a_100011290941_100010232536 [0,1,0,0,0,0|1,0,1]=3 1928 B11R1.265 C=Cc1cccc(c1C=O)O 271570a_100011290941_100009814793 [0,1,0,0,0,0|1,0,1]=3 1929 B11R1.265 C=Cc1cccc(c1CN)F 271570a_100011290941_100012349121 [0,1,0,0,0,0|3,0,0]=4 1930 B11R1.265 C=Cc1cccc(c1CO)F 271570a_100011290941_100012355691 [0,1,0,0,0,0|3,0,0]=4 1931 B11R1.265 C=Cc1cccc(c1CO)N 271570a_100011290941_100000747656 [0,1,0,0,0,0|3,0,0]=4 1932 B11R1.265 C=Cc1cccc(c1NC)N 271570a_100011290941_100010510394 [0,1,0,0,0,0|2,0,0]=3 1933 B11R1.265 C=Cc1cccc(c1NN)F 271570a_100011290941_100016994982 [0,1,0,0,0,0|3,0,0]=4 1934 B11R1.265 C=Cc1cccc(c1OC)Br 271570a_100011290941_100010146560 [0,1,0,0,0,0|1,0,0]=2 1935 B11R1.265 C=Cc1cccc(c1OC)C 271570a_100011290941_100010141385 [0,1,0,0,0,0|1,0,0]=2 1936 B11R1.265 C=Cc1cccc(c1OC)Cl 271570a_100011290941_100010147678 [0,1,0,0,0,0|1,0,0]=2 1937 B11R1.265 C=Cc1cccc(c1OC)F 271570a_100011290941_100009816759 [0,1,0,0,0,0|1,0,0]=2 1938 B11R1.265 C=Cc1cccc(c1OC)N 271570a_100011290941_100011935253 [0,1,0,0,0,0|1,0,0]=2 1939 B11R1.265 C=Cc1cccc(c1OC)O 271570a_100011290941_100010234590 [0,1,0,0,0,0|1,0,0]=2 1940 B11R1.265 C=Cc1cccc(c1SC)F 271570a_100011290941_200010709249 [0,1,0,0,0,0|1,1,0]=3 1941 B11R1.265 C=Cc1ccnc(c1C=O)Cl 271570a_100011290941_100000047006 [0,1,0,0,0,0|2,0,1]=4 1942 B11R1.265 C=Cc1ccnc(c1C=O)F 271570a_100011290941_100009828249 [0,1,0,0,0,0|2,0,1]=4 1943 B11R1.265 C=Cc1ccnc(c1C=O)N 271570a_100011290941_100009843235 [0,1,0,0,0,0|2,0,1]=4 1944 B11R1.265 C=Cc1ccnc(c1OC)C 271570a_100011290941_100000685116 [0,1,0,0,0,0|2,0,0]=3 1945 B11R1.265 C=Cc1ccnc(c1OC)Cl 271570a_100011290941_100010068014 [0,1,0,0,0,0|2,0,0]=3 1946 B11R1.265 C=Cc1ccnc(c1OC)N 271570a_100011290941_100009880012 [0,1,0,0,0,0|2,0,0]=3 1947 B11R1.265 C=Cc1cncc(c1C=O)F 271570a_100011290941_100010064882 [0,1,0,0,0,0|2,0,1]=4 1948 B11R1.265 C=Cc1cncc(c1OC)N 271570a_100011290941_100012359933 [0,1,0,0,0,0|2,0,0]=3 1949 B11R1.265 C=Cc1nccc(c1C=O)O 271570a_100011290941_200010729673 [0,1,0,0,0,0|2,0,1]=4 1950 B11R1.265 C=Cc1nccc(c1OC)N 271570a_100011290941_100000104429 [0,1,0,0,0,0|2,0,0]=3 1951 B11R1.265 C=Cc1nccc(c1OC)O 271570a_100011290941_100000104430 [0,1,0,0,0,0|2,0,0]=3 1952 B11R1.265 C=Cc1ncnc(c1OC)N 271570a_100011290941_100011998528 [0,1,0,0,0,0|3,0,0]=4 1953 B11R1.265 CCc1cccc(c1NC)C 2230a_100000210048_200000210301 [0,1,0,0,0,0|2,0,1]=4 1954 B11R1.265 CCc1cccc(c1NC)C 34a_100000210048_200000210301 [0,1,0,0,0,0|2,0,1]=4 1955 B11R1.265 CCc1cccc(c1NC)C 7a_100000210048_200000210301 [0,1,0,0,0,0|2,0,1]=4 1956 B11R1.265 CCc1cccc(c1N[13CH3])C 2230a_100000210048_200025704644 [0,1,0,0,0,0|2,0,1]=4 1957 B11R1.265 CCc1cccc(c1N[13CH3])C 34a_100000210048_200025704644 [0,1,0,0,0,0|2,0,1]=4 1958 B11R1.265 CCc1cccc(c1N[13CH3])C 7a_100000210048_200025704644 [0,1,0,0,0,0|2,0,1]=4 1959 B11R1.265 CCc1cccc(c1OC)Br 34a_200010001580_200000210301 [0,1,0,0,0,0|1,0,1]=3 1960 B11R1.265 CCc1cccc(c1OC)Br 7a_200010001580_200000210301 [0,1,0,0,0,0|1,0,1]=3 1961 B11R1.265 CCc1cccc(c1OC)C 34a_100000034007_200000210301 [0,1,0,0,0,0|1,0,1]=3 1962 B11R1.265 CCc1cccc(c1OC)C 7a_100000034007_200000210301 [0,1,0,0,0,0|1,0,1]=3 1963 B11R1.265 CCc1cccc(c1O[13CH3])Br 34a_200010001580_200025704644 [0,1,0,0,0,0|1,0,1]=3 1964 B11R1.265 CCc1cccc(c1O[13CH3])Br 7a_200010001580_200025704644 [0,1,0,0,0,0|1,0,1]=3 1965 B11R1.265 CCc1cccc(c1O[13CH3])C 34a_100000034007_200025704644 [0,1,0,0,0,0|1,0,1]=3 1966 B11R1.265 CCc1cccc(c1O[13CH3])C 7a_100000034007_200025704644 [0,1,0,0,0,0|1,0,1]=3 1967 B11R1.265 CCc1cccc(c1SC)C 62a_100000036235_200000210301 [0,1,0,0,0,0|1,1,1]=4 1968 B11R1.265 CCc1cccc(c1SC)C 62a_200000210301_100000036235 [0,1,0,0,0,0|1,1,1]=4 1969 B11R1.265 CCc1cccc(c1S[13CH3])C 62a_100000036235_200025704644 [0,1,0,0,0,0|1,1,1]=4 1970 B11R1.265 CCc1cccc(c1S[13CH3])C 62a_200025704644_100000036235 [0,1,0,0,0,0|1,1,1]=4 1971 B11R1.265 CCc1occc(=O)c1OC 34a_100000033269_200000210301 [0,1,0,0,0,0|2,0,1]=4 1972 B11R1.265 CCc1occc(=O)c1O[13CH3] 34a_100000033269_200025704644 [0,1,0,0,0,0|2,0,1]=4 1973 B11R1.265 CNc1c(cccc1C#N)C 2230a_100011826843_200000210301 [0,1,0,0,0,0|2,0,1]=4 1974 B11R1.265 CNc1c(cccc1C#N)F 2230a_100011219409_200000210301 [0,1,0,0,0,0|2,0,1]=4 1975 B11R1.265 CNc1c(cccc1C#N)F 34a_100011219409_200000210301 [0,1,0,0,0,0|2,0,1]=4 1976 B11R1.265 CNc1c(cccc1CO)C 34a_100011215590_200000210301 [0,1,0,0,0,0|1,0,2]=4 1977 B11R1.265 CNc1c(cccc1CO)Cl 34a_100012182729_200000210301 [0,1,0,0,0,0|1,0,2]=4 1978 B11R1.265 CNc1c(cccc1CO)F 34a_100000692437_200000210301 [0,1,0,0,0,0|1,0,2]=4 1979 B11R1.265 CNc1c(cccc1OC)Br 34a_100000708083_200000210301 [0,1,0,0,0,0|2,0,0]=3 1980 B11R1.265 CNc1c(cccc1OC)C 2230a_100000758225_200000210301 [0,1,0,0,0,0|2,0,0]=3 1981 B11R1.265 CNc1c(cccc1OC)C 34a_100000758225_200000210301 [0,1,0,0,0,0|2,0,0]=3 1982 B11R1.265 CNc1c(cccc1OC)Cl 34a_100011309317_200000210301 [0,1,0,0,0,0|2,0,0]=3 1983 B11R1.265 CNc1c(cccc1OC)F 34a_100000686744_200000210301 [0,1,0,0,0,0|2,0,0]=3 1984 B11R1.265 CNc1c(cccc1OC)O 34a_100012022766_200000210301 [0,1,0,0,0,0|2,0,0]=3 1985 B11R1.265 CNc1c(cccc1SC)N 62a_100010510394_200000210301 [0,1,0,0,0,0|2,1,0]=4 1986 B11R1.265 CNc1c(cccc1S[13CH3])N 62a_100010510394_200025704644 [0,1,0,0,0,0|2,1,0]=4 1987 B11R1.265 CNc1cccc(c1C#N)Br 27a_100102657272_100010071968 [0,1,0,0,0,0|2,0,1]=4 1988 B11R1.265 CNc1cccc(c1C#N)Br 7a_100011935054_200000210301 [0,1,0,0,0,0|2,0,1]=4 1989 B11R1.265 CNc1cccc(c1C#N)C 2230a_100000763283_200000210301 [0,1,0,0,0,0|2,0,1]=4 1990 B11R1.265 CNc1cccc(c1C#N)C 34a_100000763283_200000210301 [0,1,0,0,0,0|2,0,1]=4 1991 B11R1.265 CNc1cccc(c1C#N)C 7a_100000763283_200000210301 [0,1,0,0,0,0|2,0,1]=4 1992 B11R1.265 CNc1cccc(c1C#N)Cl 2230a_100000236969_200000210301 [0,1,0,0,0,0|2,0,1]=4 1993 B11R1.265 CNc1cccc(c1C#N)Cl 27a_100102657272_200000049503 [0,1,0,0,0,0|2,0,1]=4 1994 B11R1.265 CNc1cccc(c1C#N)Cl 7a_100000236969_200000210301 [0,1,0,0,0,0|2,0,1]=4 1995 B11R1.265 CNc1cccc(c1C#N)F 2230a_100000236971_200000210301 [0,1,0,0,0,0|2,0,1]=4 1996 B11R1.265 CNc1cccc(c1C#N)F 27a_100102657272_100000039607 [0,1,0,0,0,0|2,0,1]=4 1997 B11R1.265 CNc1cccc(c1C#N)F 34a_100000236971_200000210301 [0,1,0,0,0,0|2,0,1]=4 1998 B11R1.265 CNc1cccc(c1C#N)F 7a_100000236971_200000210301 [0,1,0,0,0,0|2,0,1]=4 1999 B11R1.265 CNc1cccc(c1C#N)O 271570a_203496583355_200012769483 [0,1,0,0,0,0|2,0,1]=4 2000 B11R1.265 CNc1cccc(c1CO)Br 34a_100000747656_200000210301 [0,1,0,0,0,0|1,0,2]=4 2001 B11R1.265 CNc1cccc(c1CO)Cl 34a_100011916388_200000210301 [0,1,0,0,0,0|1,0,2]=4 2002 B11R1.265 CNc1cccc(c1CO)F 34a_100011846719_200000210301 [0,1,0,0,0,0|1,0,2]=4 2003 B11R1.265 CNc1cccc(c1OC)Br 34a_100011935253_200000210301 [0,1,0,0,0,0|2,0,0]=3 2004 B11R1.265 CNc1cccc(c1OC)C 34a_100012017360_200000210301 [0,1,0,0,0,0|2,0,0]=3 2005 B11R1.265 CNc1cccc(c1OC)Cl 2230a_100000743799_200000210301 [0,1,0,0,0,0|2,0,0]=3 2006 B11R1.265 CNc1cccc(c1OC)Cl 34a_100000743799_200000210301 [0,1,0,0,0,0|2,0,0]=3 2007 B11R1.265 CNc1cccc(c1OC)F 34a_100011215007_200000210301 [0,1,0,0,0,0|2,0,0]=3 2008 B11R1.265 CNc1ccnc(c1C=O)F 27a_100102657272_100009877353 [0,1,0,0,0,0|2,0,0]=3 2009 B11R1.265 CNc1ncnc(c1C=O)O 271570a_203496583355_200012279091 [0,1,0,0,0,0|3,0,0]=4 2010 B11R1.265 COc1c(cccc1C#N)Br 34a_100009817103_200000210301 [0,1,0,0,0,0|1,0,1]=3 2011 B11R1.265 COc1c(cccc1C#N)C 34a_100011659161_200000210301 [0,1,0,0,0,0|1,0,1]=3 2012 B11R1.265 COc1c(cccc1C#N)C 7a_100011659161_200000210301 [0,1,0,0,0,0|1,0,1]=3 2013 B11R1.265 COc1c(cccc1C#N)Cl 34a_100009866432_200000210301 [0,1,0,0,0,0|1,0,1]=3 2014 B11R1.265 COc1c(cccc1C#N)Cl 7a_100009866432_200000210301 [0,1,0,0,0,0|1,0,1]=3 2015 B11R1.265 COc1c(cccc1C#N)F 34a_100000117915_200000210301 [0,1,0,0,0,0|1,0,1]=3 2016 B11R1.265 COc1c(cccc1C#N)F 7a_100000117915_200000210301 [0,1,0,0,0,0|1,0,1]=3 2017 B11R1.265 COc1c(cccc1C#N)O 271570a_203496583355_100009817008 [0,1,0,0,0,0|1,0,1]=3 2018 B11R1.265 COc1c(cccc1C=O)O 271570a_203496583355_100000692592 [0,1,0,0,0,0|0,0,0]=1 2019 B11R1.265 COc1c(cccc1CN)C 34a_100020639391_200000210301 [0,1,0,0,0,0|1,0,1]=3 2020 B11R1.265 COc1c(cccc1CO)F 34a_100011997349_200000210301 [0,1,0,0,0,0|0,0,2]=3 2021 B11R1.265 COc1c(cccc1CO)F 7a_100011997349_200000210301 [0,1,0,0,0,0|0,0,2]=3 2022 B11R1.265 COc1c(cccc1CO)O 271570a_203496583355_100000704359 [0,1,0,0,0,0|0,0,2]=3 2023 B11R1.265 COc1c(cccc1N[13CH3])Br 34a_100011935253_200025704644 [0,1,0,0,0,0|2,0,0]=3 2024 B11R1.265 COc1c(cccc1N[13CH3])C 34a_100012017360_200025704644 [0,1,0,0,0,0|2,0,0]=3 2025 B11R1.265 COc1c(cccc1N[13CH3])Cl 2230a_100000743799_200025704644 [0,1,0,0,0,0|2,0,0]=3 2026 B11R1.265 COc1c(cccc1N[13CH3])Cl 34a_100000743799_200025704644 [0,1,0,0,0,0|2,0,0]=3 2027 B11R1.265 COc1c(cccc1N[13CH3])F 34a_100011215007_200025704644 [0,1,0,0,0,0|2,0,0]=3 2028 B11R1.265 COc1c(cccc1O[13CH3])Br 34a_100010234590_200025704644 [0,1,0,0,0,0|2,0,0]=3 2029 B11R1.265 COc1c(cccc1O[13CH3])Cl 34a_200009886253_200025704644 [0,1,0,0,0,0|2,0,0]=3 2030 B11R1.265 COc1c(cccc1O[13CH3])Cl 7a_200009886253_200025704644 [0,1,0,0,0,0|2,0,0]=3 2031 B11R1.265 COc1c(cccc1SC)Br 62a_100010146560_200000210301 [0,1,0,0,0,0|2,0,0]=3 2032 B11R1.265 COc1c(cccc1SC)Br 62a_200000210301_100010146560 [0,1,0,0,0,0|2,0,0]=3 2033 B11R1.265 COc1c(cccc1SC)C 62a_100010141385_200000210301 [0,1,0,0,0,0|2,0,0]=3 2034 B11R1.265 COc1c(cccc1SC)C 62a_200000210301_100010141385 [0,1,0,0,0,0|2,0,0]=3 2035 B11R1.265 COc1c(cccc1SC)Cl 62a_100010147678_200000210301 [0,1,0,0,0,0|2,0,0]=3 2036 B11R1.265 COc1c(cccc1SC)Cl 62a_200000210301_100010147678 [0,1,0,0,0,0|2,0,0]=3 2037 B11R1.265 COc1c(cccc1SC)F 62a_100009816759_200000210301 [0,1,0,0,0,0|2,0,0]=3 2038 B11R1.265 COc1c(cccc1SC)F 62a_200000210301_100009816759 [0,1,0,0,0,0|2,0,0]=3 2039 B11R1.265 COc1c(cccc1SC)N 62a_100011935253_200000210301 [0,1,0,0,0,0|2,0,0]=3 2040 B11R1.265 COc1c(cccc1SC)O 62a_200000210301_100010234590 [0,1,0,0,0,0|2,0,0]=3 2041 B11R1.265 COc1c(cccc1S[13CH3])Br 62a_100010146560_200025704644 [0,1,0,0,0,0|2,0,0]=3 2042 B11R1.265 COc1c(cccc1S[13CH3])Br 62a_200025704644_100010146560 [0,1,0,0,0,0|2,0,0]=3 2043 B11R1.265 COc1c(cccc1S[13CH3])C 62a_100010141385_200025704644 [0,1,0,0,0,0|2,0,0]=3 2044 B11R1.265 COc1c(cccc1S[13CH3])C 62a_200025704644_100010141385 [0,1,0,0,0,0|2,0,0]=3 2045 B11R1.265 COc1c(cccc1S[13CH3])Cl 62a_100010147678_200025704644 [0,1,0,0,0,0|2,0,0]=3 2046 B11R1.265 COc1c(cccc1S[13CH3])Cl 62a_200025704644_100010147678 [0,1,0,0,0,0|2,0,0]=3 2047 B11R1.265 COc1c(cccc1S[13CH3])F 62a_100009816759_200025704644 [0,1,0,0,0,0|2,0,0]=3 2048 B11R1.265 COc1c(cccc1S[13CH3])F 62a_200025704644_100009816759 [0,1,0,0,0,0|2,0,0]=3 2049 B11R1.265 COc1c(cccc1S[13CH3])N 62a_100011935253_200025704644 [0,1,0,0,0,0|2,0,0]=3 2050 B11R1.265 COc1c(cccc1S[13CH3])O 62a_200025704644_100010234590 [0,1,0,0,0,0|2,0,0]=3 2051 B11R1.265 COc1c(ccnc1C)SC 62a_100000685116_200000210301 [0,1,0,0,0,0|3,0,0]=4 2052 B11R1.265 COc1c(ccnc1C)SC 62a_200000210301_100000685116 [0,1,0,0,0,0|3,0,0]=4 2053 B11R1.265 COc1c(ccnc1C)S[13CH3] 62a_100000685116_200025704644 [0,1,0,0,0,0|3,0,0]=4 2054 B11R1.265 COc1c(ccnc1C)S[13CH3] 62a_200025704644_100000685116 [0,1,0,0,0,0|3,0,0]=4 2055 B11R1.265 COc1c(ccnc1CO)O 271570a_203496583355_100009869429 [0,1,0,0,0,0|1,0,2]=4 2056 B11R1.265 COc1c(ccnc1Cl)O[13CH3] 34a_100000104430_200025704644 [0,1,0,0,0,0|3,0,0]=4 2057 B11R1.265 COc1c(ccnc1Cl)SC 62a_100010068014_200000210301 [0,1,0,0,0,0|3,0,0]=4 2058 B11R1.265 COc1c(ccnc1Cl)SC 62a_200000210301_100010068014 [0,1,0,0,0,0|3,0,0]=4 2059 B11R1.265 COc1c(ccnc1Cl)S[13CH3] 62a_100010068014_200025704644 [0,1,0,0,0,0|3,0,0]=4 2060 B11R1.265 COc1c(ccnc1Cl)S[13CH3] 62a_200025704644_100010068014 [0,1,0,0,0,0|3,0,0]=4 2061 B11R1.265 COc1c(ccnc1N)SC 62a_100009880012_200000210301 [0,1,0,0,0,0|3,0,0]=4 2062 B11R1.265 COc1c(ccnc1N)SC 62a_200000210301_100009880012 [0,1,0,0,0,0|3,0,0]=4 2063 B11R1.265 COc1c(ccnc1N)S[13CH3] 62a_100009880012_200025704644 [0,1,0,0,0,0|3,0,0]=4 2064 B11R1.265 COc1c(ccnc1N)S[13CH3] 62a_200025704644_100009880012 [0,1,0,0,0,0|3,0,0]=4 2065 B11R1.265 COc1c(ccnc1O)C=O 271570a_203496583355_200009814792 [0,1,0,0,0,0|1,0,0]=2 2066 B11R1.265 COc1c(ccnc1SC)N 62a_100000104429_200000210301 [0,1,0,0,0,0|3,0,0]=4 2067 B11R1.265 COc1c(ccnc1SC)N 62a_200000210301_100000104429 [0,1,0,0,0,0|3,0,0]=4 2068 B11R1.265 COc1c(ccnc1SC)O 62a_200000210301_100000104430 [0,1,0,0,0,0|3,0,0]=4 2069 B11R1.265 COc1c(ccnc1S[13CH3])N 62a_100000104429_200025704644 [0,1,0,0,0,0|3,0,0]=4 2070 B11R1.265 COc1c(ccnc1S[13CH3])N 62a_200025704644_100000104429 [0,1,0,0,0,0|3,0,0]=4 2071 B11R1.265 COc1c(ccnc1S[13CH3])O 62a_200025704644_100000104430 [0,1,0,0,0,0|3,0,0]=4 2072 B11R1.265 COc1c(cncc1C#N)O 271570a_203496583355_100016142170 [0,1,0,0,0,0|2,0,1]=4 2073 B11R1.265 COc1c(cncc1C=O)O 271570a_203496583355_100015834815 [0,1,0,0,0,0|1,0,0]=2 2074 B11R1.265 COc1c(cncc1SC)N 62a_100012359933_200000210301 [0,1,0,0,0,0|3,0,0]=4 2075 B11R1.265 COc1c(cncc1SC)N 62a_200000210301_100012359933 [0,1,0,0,0,0|3,0,0]=4 2076 B11R1.265 COc1c(cncc1S[13CH3])N 62a_100012359933_200025704644 [0,1,0,0,0,0|3,0,0]=4 2077 B11R1.265 COc1c(cncc1S[13CH3])N 62a_200025704644_100012359933 [0,1,0,0,0,0|3,0,0]=4 2078 B11R1.265 COc1cccc(c1C#N)Br 34a_100012180507_200000210301 [0,1,0,0,0,0|1,0,1]=3 2079 B11R1.265 COc1cccc(c1C#N)Br 7a_100012180507_200000210301 [0,1,0,0,0,0|1,0,1]=3 2080 B11R1.265 COc1cccc(c1C#N)C 34a_100000079363_200000210301 [0,1,0,0,0,0|1,0,1]=3 2081 B11R1.265 COc1cccc(c1C#N)C 7a_100000079363_200000210301 [0,1,0,0,0,0|1,0,1]=3 2082 B11R1.265 COc1cccc(c1C#N)Cl 34a_100000764475_200000210301 [0,1,0,0,0,0|1,0,1]=3 2083 B11R1.265 COc1cccc(c1C#N)Cl 7a_100000764475_200000210301 [0,1,0,0,0,0|1,0,1]=3 2084 B11R1.265 COc1cccc(c1C#N)F 34a_100000741147_200000210301 [0,1,0,0,0,0|1,0,1]=3 2085 B11R1.265 COc1cccc(c1C#N)F 7a_100000741147_200000210301 [0,1,0,0,0,0|1,0,1]=3 2086 B11R1.265 COc1cccc(c1C#N)O 271570a_203496583355_100012356440 [0,1,0,0,0,0|1,0,1]=3 2087 B11R1.265 COc1cccc(c1C=O)O 271570a_203496583355_100009814803 [0,1,0,0,0,0|0,0,0]=1 2088 B11R1.265 COc1cccc(c1CO)C 34a_200009874777_200000210301 [0,1,0,0,0,0|0,0,2]=3 2089 B11R1.265 COc1cccc(c1CO)C 7a_200009874777_200000210301 [0,1,0,0,0,0|0,0,2]=3 2090 B11R1.265 COc1cccc(c1N[13CH3])Br 34a_100000708083_200025704644 [0,1,0,0,0,0|2,0,0]=3 2091 B11R1.265 COc1cccc(c1N[13CH3])C 2230a_100000758225_200025704644 [0,1,0,0,0,0|2,0,0]=3 2092 B11R1.265 COc1cccc(c1N[13CH3])C 34a_100000758225_200025704644 [0,1,0,0,0,0|2,0,0]=3 2093 B11R1.265 COc1cccc(c1N[13CH3])Cl 34a_100011309317_200025704644 [0,1,0,0,0,0|2,0,0]=3 2094 B11R1.265 COc1cccc(c1N[13CH3])F 34a_100000686744_200025704644 [0,1,0,0,0,0|2,0,0]=3 2095 B11R1.265 COc1cccc(c1N[13CH3])O 34a_100012022766_200025704644 [0,1,0,0,0,0|2,0,0]=3 2096 B11R1.265 COc1cccc(c1OC)Br 34a_100000686866_200000210301 [0,1,0,0,0,0|2,0,0]=3 2097 B11R1.265 COc1cccc(c1OC)Br 34a_100010234590_200000210301 [0,1,0,0,0,0|2,0,0]=3 2098 B11R1.265 COc1cccc(c1OC)C 34a_100011219253_200000210301 [0,1,0,0,0,0|2,0,0]=3 2099 B11R1.265 COc1cccc(c1OC)C 7a_100011219253_200000210301 [0,1,0,0,0,0|2,0,0]=3 2100 B11R1.265 COc1cccc(c1OC)Cl 34a_100009851661_200000210301 [0,1,0,0,0,0|2,0,0]=3 2101 B11R1.265 COc1cccc(c1OC)Cl 34a_200009886253_200000210301 [0,1,0,0,0,0|2,0,0]=3 2102 B11R1.265 COc1cccc(c1OC)Cl 7a_100009851661_200000210301 [0,1,0,0,0,0|2,0,0]=3 2103 B11R1.265 COc1cccc(c1OC)Cl 7a_200009886253_200000210301 [0,1,0,0,0,0|2,0,0]=3 2104 B11R1.265 COc1cccc(c1OC)F 34a_100000036725_200000210301 [0,1,0,0,0,0|2,0,0]=3 2105 B11R1.265 COc1cccc(c1OC)F 7a_100000036725_200000210301 [0,1,0,0,0,0|2,0,0]=3 2106 B11R1.265 COc1cccc(c1OC)N 34a_100000123586_200000210301 [0,1,0,0,0,0|2,0,0]=3 2107 B11R1.265 COc1cccc(c1OC)O 271570a_203496583355_100009815961 [0,1,0,0,0,0|2,0,0]=3 2108 B11R1.265 COc1cccc(c1O[13CH3])Br 34a_100000686866_200025704644 [0,1,0,0,0,0|2,0,0]=3 2109 B11R1.265 COc1cccc(c1O[13CH3])C 34a_100011219253_200025704644 [0,1,0,0,0,0|2,0,0]=3 2110 B11R1.265 COc1cccc(c1O[13CH3])C 7a_100011219253_200025704644 [0,1,0,0,0,0|2,0,0]=3 2111 B11R1.265 COc1cccc(c1O[13CH3])Cl 34a_100009851661_200025704644 [0,1,0,0,0,0|2,0,0]=3 2112 B11R1.265 COc1cccc(c1O[13CH3])Cl 7a_100009851661_200025704644 [0,1,0,0,0,0|2,0,0]=3 2113 B11R1.265 COc1cccc(c1O[13CH3])F 34a_100000036725_200025704644 [0,1,0,0,0,0|2,0,0]=3 2114 B11R1.265 COc1cccc(c1O[13CH3])F 7a_100000036725_200025704644 [0,1,0,0,0,0|2,0,0]=3 2115 B11R1.265 COc1cccc(c1O[13CH3])N 34a_100000123586_200025704644 [0,1,0,0,0,0|2,0,0]=3 2116 B11R1.265 COc1cccc(c1SC)Br 62a_100010131421_200000210301 [0,1,0,0,0,0|2,0,0]=3 2117 B11R1.265 COc1cccc(c1SC)Br 62a_200000210301_100010131421 [0,1,0,0,0,0|2,0,0]=3 2118 B11R1.265 COc1cccc(c1SC)C 34a_200000099257_200000210301 [0,1,0,0,0,0|2,0,0]=3 2119 B11R1.265 COc1cccc(c1SC)C 62a_100010191535_200000210301 [0,1,0,0,0,0|2,0,0]=3 2120 B11R1.265 COc1cccc(c1SC)C 62a_200000210301_100010191535 [0,1,0,0,0,0|2,0,0]=3 2121 B11R1.265 COc1cccc(c1SC)C 7a_200000099257_200000210301 [0,1,0,0,0,0|2,0,0]=3 2122 B11R1.265 COc1cccc(c1SC)F 62a_100000703912_200000210301 [0,1,0,0,0,0|2,0,0]=3 2123 B11R1.265 COc1cccc(c1SC)F 62a_200000210301_100000703912 [0,1,0,0,0,0|2,0,0]=3 2124 B11R1.265 COc1cccc(c1SC)N 62a_100000703447_200000210301 [0,1,0,0,0,0|2,0,0]=3 2125 B11R1.265 COc1cccc(c1SC)N 62a_200000210301_100000703447 [0,1,0,0,0,0|2,0,0]=3 2126 B11R1.265 COc1cccc(c1SC)O 62a_200000210301_100010202623 [0,1,0,0,0,0|2,0,0]=3 2127 B11R1.265 COc1cccc(c1S[13CH3])Br 62a_100010131421_200025704644 [0,1,0,0,0,0|2,0,0]=3 2128 B11R1.265 COc1cccc(c1S[13CH3])Br 62a_200025704644_100010131421 [0,1,0,0,0,0|2,0,0]=3 2129 B11R1.265 COc1cccc(c1S[13CH3])C 62a_100010191535_200025704644 [0,1,0,0,0,0|2,0,0]=3 2130 B11R1.265 COc1cccc(c1S[13CH3])C 62a_200025704644_100010191535 [0,1,0,0,0,0|2,0,0]=3 2131 B11R1.265 COc1cccc(c1S[13CH3])F 62a_100000703912_200025704644 [0,1,0,0,0,0|2,0,0]=3 2132 B11R1.265 COc1cccc(c1S[13CH3])F 62a_200025704644_100000703912 [0,1,0,0,0,0|2,0,0]=3 2133 B11R1.265 COc1cccc(c1S[13CH3])N 62a_100000703447_200025704644 [0,1,0,0,0,0|2,0,0]=3 2134 B11R1.265 COc1cccc(c1S[13CH3])N 62a_200025704644_100000703447 [0,1,0,0,0,0|2,0,0]=3 2135 B11R1.265 COc1cccc(c1S[13CH3])O 62a_200025704644_100010202623 [0,1,0,0,0,0|2,0,0]=3 2136 B11R1.265 COc1ccnc(c1C#N)O 271570a_203496583355_100000047147 [0,1,0,0,0,0|2,0,1]=4 2137 B11R1.265 COc1ccnc(c1C=O)O 271570a_203496583355_100009860067 [0,1,0,0,0,0|1,0,0]=2 2138 B11R1.265 COc1ccnc(c1OC)Cl 34a_100000104430_200000210301 [0,1,0,0,0,0|3,0,0]=4 2139 B11R1.265 COc1ccnc(c1SC)Cl 62a_100010154655_200000210301 [0,1,0,0,0,0|3,0,0]=4 2140 B11R1.265 COc1ccnc(c1SC)Cl 62a_200000210301_100010154655 [0,1,0,0,0,0|3,0,0]=4 2141 B11R1.265 COc1ccnc(c1S[13CH3])Cl 62a_100010154655_200025704644 [0,1,0,0,0,0|3,0,0]=4 2142 B11R1.265 COc1ccnc(c1S[13CH3])Cl 62a_200025704644_100010154655 [0,1,0,0,0,0|3,0,0]=4 2143 B11R1.265 COc1nccc(c1C#N)O 271570a_203496583355_200009870389 [0,1,0,0,0,0|2,0,1]=4 2144 B11R1.265 COc1nccc(c1C=O)O 271570a_203496583355_100010160771 [0,1,0,0,0,0|1,0,0]=2 2145 B11R1.265 COc1nccc(c1SC)C 62a_100012353928_200000210301 [0,1,0,0,0,0|3,0,0]=4 2146 B11R1.265 COc1nccc(c1SC)C 62a_200000210301_100012353928 [0,1,0,0,0,0|3,0,0]=4 2147 B11R1.265 COc1nccc(c1SC)N 62a_100010243811_200000210301 [0,1,0,0,0,0|3,0,0]=4 2148 B11R1.265 COc1nccc(c1SC)N 62a_200000210301_100010243811 [0,1,0,0,0,0|3,0,0]=4 2149 B11R1.265 COc1nccc(c1S[13CH3])C 62a_100012353928_200025704644 [0,1,0,0,0,0|3,0,0]=4 2150 B11R1.265 COc1nccc(c1S[13CH3])C 62a_200025704644_100012353928 [0,1,0,0,0,0|3,0,0]=4 2151 B11R1.265 COc1nccc(c1S[13CH3])N 62a_100010243811_200025704644 [0,1,0,0,0,0|3,0,0]=4 2152 B11R1.265 COc1nccc(c1S[13CH3])N 62a_200025704644_100010243811 [0,1,0,0,0,0|3,0,0]=4 2153 B11R1.265 CSc1c(cccc1C#N)Br 62a_100000703783_200000210301 [0,1,0,0,0,0|1,1,1]=4 2154 B11R1.265 CSc1c(cccc1C#N)Br 62a_200000210301_100000703783 [0,1,0,0,0,0|1,1,1]=4 2155 B11R1.265 CSc1c(cccc1C#N)C 62a_200000210301_100011934862 [0,1,0,0,0,0|1,1,1]=4 2156 B11R1.265 CSc1c(cccc1C#N)Cl 62a_200000210301_100010134094 [0,1,0,0,0,0|1,1,1]=4 2157 B11R1.265 CSc1c(cccc1C#N)F 62a_200000210301_100011219237 [0,1,0,0,0,0|1,1,1]=4 2158 B11R1.265 CSc1c(cccc1C#N)N 62a_200000210301_100009877206 [0,1,0,0,0,0|1,1,1]=4 2159 B11R1.265 CSc1c(cccc1C#N)O 62a_200000210301_100009818990 [0,1,0,0,0,0|1,1,1]=4 2160 B11R1.265 CSc1c(cccc1C=O)C 62a_100012186367_200000210301 [0,1,0,0,0,0|0,1,0]=2 2161 B11R1.265 CSc1c(cccc1C=O)C 62a_200000210301_100012186367 [0,1,0,0,0,0|0,1,0]=2 2162 B11R1.265 CSc1c(cccc1C=O)F 62a_100011934749_200000210301 [0,1,0,0,0,0|0,1,0]=2 2163 B11R1.265 CSc1c(cccc1C=O)F 62a_200000210301_100011934749 [0,1,0,0,0,0|0,1,0]=2 2164 B11R1.265 CSc1c(cccc1C=O)O 62a_100009816417_200000210301 [0,1,0,0,0,0|0,1,0]=2 2165 B11R1.265 CSc1c(cccc1C=O)O 62a_200000210301_100009816417 [0,1,0,0,0,0|0,1,0]=2 2166 B11R1.265 CSc1c(cccc1CN)F 62a_100020638964_200000210301 [0,1,0,0,0,0|1,1,1]=4 2167 B11R1.265 CSc1c(cccc1CN)F 62a_200000210301_100020638964 [0,1,0,0,0,0|1,1,1]=4 2168 B11R1.265 CSc1c(cccc1CO)Br 62a_100010146604_200000210301 [0,1,0,0,0,0|0,1,2]=4 2169 B11R1.265 CSc1c(cccc1CO)Br 62a_200000210301_100010146604 [0,1,0,0,0,0|0,1,2]=4 2170 B11R1.265 CSc1c(cccc1CO)C 62a_100011659289_200000210301 [0,1,0,0,0,0|0,1,2]=4 2171 B11R1.265 CSc1c(cccc1CO)C 62a_200000210301_100011659289 [0,1,0,0,0,0|0,1,2]=4 2172 B11R1.265 CSc1c(cccc1CO)F 62a_100012351117_200000210301 [0,1,0,0,0,0|0,1,2]=4 2173 B11R1.265 CSc1c(cccc1CO)F 62a_200000210301_100012351117 [0,1,0,0,0,0|0,1,2]=4 2174 B11R1.265 CSc1c(cccc1O[13CH3])C 34a_200000099257_200025704644 [0,1,0,0,0,0|2,0,0]=3 2175 B11R1.265 CSc1c(cccc1O[13CH3])C 7a_200000099257_200025704644 [0,1,0,0,0,0|2,0,0]=3 2176 B11R1.265 CSc1c(cccc1S[13CH3])F 62a_200010709249_200025704644 [0,1,0,0,0,0|2,1,0]=4 2177 B11R1.265 CSc1c(cccc1S[13CH3])F 62a_200025704644_200010709249 [0,1,0,0,0,0|2,1,0]=4 2178 B11R1.265 CSc1c(ccnc1F)C=O 62a_100009856171_200000210301 [0,1,0,0,0,0|1,1,0]=3 2179 B11R1.265 CSc1c(ccnc1F)C=O 62a_200000210301_100009856171 [0,1,0,0,0,0|1,1,0]=3 2180 B11R1.265 CSc1cccc(c1C#N)Br 62a_100010071968_200000210301 [0,1,0,0,0,0|1,1,1]=4 2181 B11R1.265 CSc1cccc(c1C#N)Br 62a_200000210301_100010071968 [0,1,0,0,0,0|1,1,1]=4 2182 B11R1.265 CSc1cccc(c1C#N)C 62a_200000210301_100009819585 [0,1,0,0,0,0|1,1,1]=4 2183 B11R1.265 CSc1cccc(c1C#N)Cl 62a_200000210301_200000049503 [0,1,0,0,0,0|1,1,1]=4 2184 B11R1.265 CSc1cccc(c1C#N)F 62a_200000210301_100000039607 [0,1,0,0,0,0|1,1,1]=4 2185 B11R1.265 CSc1cccc(c1C#N)N 62a_200000210301_100011935054 [0,1,0,0,0,0|1,1,1]=4 2186 B11R1.265 CSc1cccc(c1C#N)O 62a_200000210301_100012180507 [0,1,0,0,0,0|1,1,1]=4 2187 B11R1.265 CSc1cccc(c1C=O)C 62a_100000041122_200000210301 [0,1,0,0,0,0|0,1,0]=2 2188 B11R1.265 CSc1cccc(c1C=O)C 62a_200000210301_100000041122 [0,1,0,0,0,0|0,1,0]=2 2189 B11R1.265 CSc1cccc(c1C=O)Cl 62a_100010147682_200000210301 [0,1,0,0,0,0|0,1,0]=2 2190 B11R1.265 CSc1cccc(c1C=O)Cl 62a_200000210301_100010147682 [0,1,0,0,0,0|0,1,0]=2 2191 B11R1.265 CSc1cccc(c1C=O)F 62a_100000210083_200000210301 [0,1,0,0,0,0|0,1,0]=2 2192 B11R1.265 CSc1cccc(c1C=O)F 62a_200000210301_100000210083 [0,1,0,0,0,0|0,1,0]=2 2193 B11R1.265 CSc1cccc(c1C=O)N 62a_100010232536_200000210301 [0,1,0,0,0,0|0,1,0]=2 2194 B11R1.265 CSc1cccc(c1C=O)O 62a_200000210301_100010193437 [0,1,0,0,0,0|0,1,0]=2 2195 B11R1.265 CSc1cccc(c1CN)F 62a_100012349121_200000210301 [0,1,0,0,0,0|1,1,1]=4 2196 B11R1.265 CSc1cccc(c1CN)F 62a_200000210301_100012349121 [0,1,0,0,0,0|1,1,1]=4 2197 B11R1.265 CSc1cccc(c1CO)F 62a_100012355691_200000210301 [0,1,0,0,0,0|0,1,2]=4 2198 B11R1.265 CSc1cccc(c1CO)F 62a_200000210301_100012355691 [0,1,0,0,0,0|0,1,2]=4 2199 B11R1.265 CSc1cccc(c1CO)N 62a_100000747656_200000210301 [0,1,0,0,0,0|0,1,2]=4 2200 B11R1.265 CSc1cccc(c1CO)N 62a_200000210301_100000747656 [0,1,0,0,0,0|0,1,2]=4 2201 B11R1.265 CSc1cccc(c1NN)F 62a_100016994982_200000210301 [0,1,0,0,0,0|2,1,0]=4 2202 B11R1.265 CSc1cccc(c1NN)F 62a_200000210301_100016994982 [0,1,0,0,0,0|2,1,0]=4 2203 B11R1.265 CSc1cccc(c1SC)F 62a_200000210301_200010709249 [0,1,0,0,0,0|2,1,0]=4 2204 B11R1.265 CSc1cccc(c1SC)F 62a_200010709249_200000210301 [0,1,0,0,0,0|2,1,0]=4 2205 B11R1.265 CSc1ccnc(c1C=O)Cl 62a_100000047006_200000210301 [0,1,0,0,0,0|1,1,0]=3 2206 B11R1.265 CSc1ccnc(c1C=O)Cl 62a_200000210301_100000047006 [0,1,0,0,0,0|1,1,0]=3 2207 B11R1.265 CSc1ccnc(c1C=O)F 62a_100009828249_200000210301 [0,1,0,0,0,0|1,1,0]=3 2208 B11R1.265 CSc1ccnc(c1C=O)F 62a_200000210301_100009828249 [0,1,0,0,0,0|1,1,0]=3 2209 B11R1.265 CSc1ccnc(c1C=O)N 62a_100009843235_200000210301 [0,1,0,0,0,0|1,1,0]=3 2210 B11R1.265 CSc1cncc(c1C=O)F 62a_100010064882_200000210301 [0,1,0,0,0,0|1,1,0]=3 2211 B11R1.265 CSc1cncc(c1C=O)F 62a_200000210301_100010064882 [0,1,0,0,0,0|1,1,0]=3 2212 B11R1.265 CSc1nccc(c1C=O)N 62a_100000050385_200000210301 [0,1,0,0,0,0|1,1,0]=3 2213 B11R1.265 CSc1nccc(c1C=O)N 62a_200000210301_100000050385 [0,1,0,0,0,0|1,1,0]=3 2214 B11R1.265 CSc1nccc(c1C=O)O 62a_200010729673_200000210301 [0,1,0,0,0,0|1,1,0]=3 2215 B11R1.265 CSc1ncnc(c1C=O)N 62a_100000765549_200000210301 [0,1,0,0,0,0|2,1,0]=4 2216 B11R1.265 CSc1ncnc(c1C=O)N 62a_200000210301_100000765549 [0,1,0,0,0,0|2,1,0]=4 2217 B11R1.265 Cc1cccc(c1C#N)N[13CH3] 2230a_100000763283_200025704644 [0,1,0,0,0,0|2,0,1]=4 2218 B11R1.265 Cc1cccc(c1C#N)N[13CH3] 34a_100000763283_200025704644 [0,1,0,0,0,0|2,0,1]=4 2219 B11R1.265 Cc1cccc(c1C#N)N[13CH3] 7a_100000763283_200025704644 [0,1,0,0,0,0|2,0,1]=4 2220 B11R1.265 Cc1cccc(c1C#N)O[13CH3] 34a_100000079363_200025704644 [0,1,0,0,0,0|1,0,1]=3 2221 B11R1.265 Cc1cccc(c1C#N)O[13CH3] 7a_100000079363_200025704644 [0,1,0,0,0,0|1,0,1]=3 2222 B11R1.265 Cc1cccc(c1C#N)S[13CH3] 62a_200025704644_100009819585 [0,1,0,0,0,0|1,1,1]=4 2223 B11R1.265 Cc1cccc(c1C=O)S[13CH3] 62a_100000041122_200025704644 [0,1,0,0,0,0|0,1,0]=2 2224 B11R1.265 Cc1cccc(c1C=O)S[13CH3] 62a_200025704644_100000041122 [0,1,0,0,0,0|0,1,0]=2 2225 B11R1.265 Cc1cccc(c1CO)O[13CH3] 34a_200009874777_200025704644 [0,1,0,0,0,0|0,0,2]=3 2226 B11R1.265 Cc1cccc(c1CO)O[13CH3] 7a_200009874777_200025704644 [0,1,0,0,0,0|0,0,2]=3 2227 B11R1.265 Cc1cccc(c1N[13CH3])C#N 2230a_100011826843_200025704644 [0,1,0,0,0,0|2,0,1]=4 2228 B11R1.265 Cc1cccc(c1N[13CH3])CO 34a_100011215590_200025704644 [0,1,0,0,0,0|1,0,2]=4 2229 B11R1.265 Cc1cccc(c1O[13CH3])C#N 34a_100011659161_200025704644 [0,1,0,0,0,0|1,0,1]=3 2230 B11R1.265 Cc1cccc(c1O[13CH3])C#N 7a_100011659161_200025704644 [0,1,0,0,0,0|1,0,1]=3 2231 B11R1.265 Cc1cccc(c1O[13CH3])CN 34a_100020639391_200025704644 [0,1,0,0,0,0|1,0,1]=3 2232 B11R1.265 Cc1cccc(c1S[13CH3])C#N 62a_200025704644_100011934862 [0,1,0,0,0,0|1,1,1]=4 2233 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_100012186367_200025704644 [0,1,0,0,0,0|0,1,0]=2 2234 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_200025704644_100012186367 [0,1,0,0,0,0|0,1,0]=2 2235 B11R1.265 Cc1cccc(c1S[13CH3])CO 62a_100011659289_200025704644 [0,1,0,0,0,0|0,1,2]=4 2236 B11R1.265 Cc1cccc(c1S[13CH3])CO 62a_200025704644_100011659289 [0,1,0,0,0,0|0,1,2]=4 2237 B11R1.265 N#Cc1c(cccc1C=O)O 271570a_203496583355_100000100183 [0,1,0,0,0,0|2,0,0]=3 2238 B11R1.265 [13CH3]Nc1c(cccc1C#N)F 2230a_100011219409_200025704644 [0,1,0,0,0,0|2,0,1]=4 2239 B11R1.265 [13CH3]Nc1c(cccc1C#N)F 34a_100011219409_200025704644 [0,1,0,0,0,0|2,0,1]=4 2240 B11R1.265 [13CH3]Nc1c(cccc1CO)Cl 34a_100012182729_200025704644 [0,1,0,0,0,0|1,0,2]=4 2241 B11R1.265 [13CH3]Nc1c(cccc1CO)F 34a_100000692437_200025704644 [0,1,0,0,0,0|1,0,2]=4 2242 B11R1.265 [13CH3]Nc1cccc(c1C#N)Br 7a_100011935054_200025704644 [0,1,0,0,0,0|2,0,1]=4 2243 B11R1.265 [13CH3]Nc1cccc(c1C#N)Cl 2230a_100000236969_200025704644 [0,1,0,0,0,0|2,0,1]=4 2244 B11R1.265 [13CH3]Nc1cccc(c1C#N)Cl 7a_100000236969_200025704644 [0,1,0,0,0,0|2,0,1]=4 2245 B11R1.265 [13CH3]Nc1cccc(c1C#N)F 2230a_100000236971_200025704644 [0,1,0,0,0,0|2,0,1]=4 2246 B11R1.265 [13CH3]Nc1cccc(c1C#N)F 34a_100000236971_200025704644 [0,1,0,0,0,0|2,0,1]=4 2247 B11R1.265 [13CH3]Nc1cccc(c1C#N)F 7a_100000236971_200025704644 [0,1,0,0,0,0|2,0,1]=4 2248 B11R1.265 [13CH3]Nc1cccc(c1CO)Br 34a_100000747656_200025704644 [0,1,0,0,0,0|1,0,2]=4 2249 B11R1.265 [13CH3]Nc1cccc(c1CO)Cl 34a_100011916388_200025704644 [0,1,0,0,0,0|1,0,2]=4 2250 B11R1.265 [13CH3]Nc1cccc(c1CO)F 34a_100011846719_200025704644 [0,1,0,0,0,0|1,0,2]=4 2251 B11R1.265 [13CH3]Oc1c(cccc1C#N)Br 34a_100009817103_200025704644 [0,1,0,0,0,0|1,0,1]=3 2252 B11R1.265 [13CH3]Oc1c(cccc1C#N)Cl 34a_100009866432_200025704644 [0,1,0,0,0,0|1,0,1]=3 2253 B11R1.265 [13CH3]Oc1c(cccc1C#N)Cl 7a_100009866432_200025704644 [0,1,0,0,0,0|1,0,1]=3 2254 B11R1.265 [13CH3]Oc1c(cccc1C#N)F 34a_100000117915_200025704644 [0,1,0,0,0,0|1,0,1]=3 2255 B11R1.265 [13CH3]Oc1c(cccc1C#N)F 7a_100000117915_200025704644 [0,1,0,0,0,0|1,0,1]=3 2256 B11R1.265 [13CH3]Oc1c(cccc1CO)F 34a_100011997349_200025704644 [0,1,0,0,0,0|0,0,2]=3 2257 B11R1.265 [13CH3]Oc1c(cccc1CO)F 7a_100011997349_200025704644 [0,1,0,0,0,0|0,0,2]=3 2258 B11R1.265 [13CH3]Oc1cccc(c1C#N)Br 34a_100012180507_200025704644 [0,1,0,0,0,0|1,0,1]=3 2259 B11R1.265 [13CH3]Oc1cccc(c1C#N)Br 7a_100012180507_200025704644 [0,1,0,0,0,0|1,0,1]=3 2260 B11R1.265 [13CH3]Oc1cccc(c1C#N)Cl 34a_100000764475_200025704644 [0,1,0,0,0,0|1,0,1]=3 2261 B11R1.265 [13CH3]Oc1cccc(c1C#N)Cl 7a_100000764475_200025704644 [0,1,0,0,0,0|1,0,1]=3 2262 B11R1.265 [13CH3]Oc1cccc(c1C#N)F 34a_100000741147_200025704644 [0,1,0,0,0,0|1,0,1]=3 2263 B11R1.265 [13CH3]Oc1cccc(c1C#N)F 7a_100000741147_200025704644 [0,1,0,0,0,0|1,0,1]=3 2264 B11R1.265 [13CH3]Sc1c(cccc1C#N)Br 62a_100000703783_200025704644 [0,1,0,0,0,0|1,1,1]=4 2265 B11R1.265 [13CH3]Sc1c(cccc1C#N)Br 62a_200025704644_100000703783 [0,1,0,0,0,0|1,1,1]=4 2266 B11R1.265 [13CH3]Sc1c(cccc1C#N)Cl 62a_200025704644_100010134094 [0,1,0,0,0,0|1,1,1]=4 2267 B11R1.265 [13CH3]Sc1c(cccc1C#N)F 62a_200025704644_100011219237 [0,1,0,0,0,0|1,1,1]=4 2268 B11R1.265 [13CH3]Sc1c(cccc1C#N)N 62a_200025704644_100009877206 [0,1,0,0,0,0|1,1,1]=4 2269 B11R1.265 [13CH3]Sc1c(cccc1C#N)O 62a_200025704644_100009818990 [0,1,0,0,0,0|1,1,1]=4 2270 B11R1.265 [13CH3]Sc1c(cccc1C=O)F 62a_100011934749_200025704644 [0,1,0,0,0,0|0,1,0]=2 2271 B11R1.265 [13CH3]Sc1c(cccc1C=O)F 62a_200025704644_100011934749 [0,1,0,0,0,0|0,1,0]=2 2272 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_100009816417_200025704644 [0,1,0,0,0,0|0,1,0]=2 2273 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_200025704644_100009816417 [0,1,0,0,0,0|0,1,0]=2 2274 B11R1.265 [13CH3]Sc1c(cccc1CN)F 62a_100020638964_200025704644 [0,1,0,0,0,0|1,1,1]=4 2275 B11R1.265 [13CH3]Sc1c(cccc1CN)F 62a_200025704644_100020638964 [0,1,0,0,0,0|1,1,1]=4 2276 B11R1.265 [13CH3]Sc1c(cccc1CO)Br 62a_100010146604_200025704644 [0,1,0,0,0,0|0,1,2]=4 2277 B11R1.265 [13CH3]Sc1c(cccc1CO)Br 62a_200025704644_100010146604 [0,1,0,0,0,0|0,1,2]=4 2278 B11R1.265 [13CH3]Sc1c(cccc1CO)F 62a_100012351117_200025704644 [0,1,0,0,0,0|0,1,2]=4 2279 B11R1.265 [13CH3]Sc1c(cccc1CO)F 62a_200025704644_100012351117 [0,1,0,0,0,0|0,1,2]=4 2280 B11R1.265 [13CH3]Sc1c(ccnc1F)C=O 62a_100009856171_200025704644 [0,1,0,0,0,0|1,1,0]=3 2281 B11R1.265 [13CH3]Sc1c(ccnc1F)C=O 62a_200025704644_100009856171 [0,1,0,0,0,0|1,1,0]=3 2282 B11R1.265 [13CH3]Sc1cccc(c1C#N)Br 62a_100010071968_200025704644 [0,1,0,0,0,0|1,1,1]=4 2283 B11R1.265 [13CH3]Sc1cccc(c1C#N)Br 62a_200025704644_100010071968 [0,1,0,0,0,0|1,1,1]=4 2284 B11R1.265 [13CH3]Sc1cccc(c1C#N)Cl 62a_200025704644_200000049503 [0,1,0,0,0,0|1,1,1]=4 2285 B11R1.265 [13CH3]Sc1cccc(c1C#N)F 62a_200025704644_100000039607 [0,1,0,0,0,0|1,1,1]=4 2286 B11R1.265 [13CH3]Sc1cccc(c1C#N)N 62a_200025704644_100011935054 [0,1,0,0,0,0|1,1,1]=4 2287 B11R1.265 [13CH3]Sc1cccc(c1C#N)O 62a_200025704644_100012180507 [0,1,0,0,0,0|1,1,1]=4 2288 B11R1.265 [13CH3]Sc1cccc(c1C=O)Cl 62a_100010147682_200025704644 [0,1,0,0,0,0|0,1,0]=2 2289 B11R1.265 [13CH3]Sc1cccc(c1C=O)Cl 62a_200025704644_100010147682 [0,1,0,0,0,0|0,1,0]=2 2290 B11R1.265 [13CH3]Sc1cccc(c1C=O)F 62a_100000210083_200025704644 [0,1,0,0,0,0|0,1,0]=2 2291 B11R1.265 [13CH3]Sc1cccc(c1C=O)F 62a_200025704644_100000210083 [0,1,0,0,0,0|0,1,0]=2 2292 B11R1.265 [13CH3]Sc1cccc(c1C=O)N 62a_100010232536_200025704644 [0,1,0,0,0,0|0,1,0]=2 2293 B11R1.265 [13CH3]Sc1cccc(c1C=O)O 62a_200025704644_100010193437 [0,1,0,0,0,0|0,1,0]=2 2294 B11R1.265 [13CH3]Sc1cccc(c1CN)F 62a_100012349121_200025704644 [0,1,0,0,0,0|1,1,1]=4 2295 B11R1.265 [13CH3]Sc1cccc(c1CN)F 62a_200025704644_100012349121 [0,1,0,0,0,0|1,1,1]=4 2296 B11R1.265 [13CH3]Sc1cccc(c1CO)F 62a_100012355691_200025704644 [0,1,0,0,0,0|0,1,2]=4 2297 B11R1.265 [13CH3]Sc1cccc(c1CO)F 62a_200025704644_100012355691 [0,1,0,0,0,0|0,1,2]=4 2298 B11R1.265 [13CH3]Sc1cccc(c1CO)N 62a_100000747656_200025704644 [0,1,0,0,0,0|0,1,2]=4 2299 B11R1.265 [13CH3]Sc1cccc(c1CO)N 62a_200025704644_100000747656 [0,1,0,0,0,0|0,1,2]=4 2300 B11R1.265 [13CH3]Sc1cccc(c1NN)F 62a_100016994982_200025704644 [0,1,0,0,0,0|2,1,0]=4 2301 B11R1.265 [13CH3]Sc1cccc(c1NN)F 62a_200025704644_100016994982 [0,1,0,0,0,0|2,1,0]=4 2302 B11R1.265 [13CH3]Sc1ccnc(c1C=O)Cl 62a_100000047006_200025704644 [0,1,0,0,0,0|1,1,0]=3 2303 B11R1.265 [13CH3]Sc1ccnc(c1C=O)Cl 62a_200025704644_100000047006 [0,1,0,0,0,0|1,1,0]=3 2304 B11R1.265 [13CH3]Sc1ccnc(c1C=O)F 62a_100009828249_200025704644 [0,1,0,0,0,0|1,1,0]=3 2305 B11R1.265 [13CH3]Sc1ccnc(c1C=O)F 62a_200025704644_100009828249 [0,1,0,0,0,0|1,1,0]=3 2306 B11R1.265 [13CH3]Sc1ccnc(c1C=O)N 62a_100009843235_200025704644 [0,1,0,0,0,0|1,1,0]=3 2307 B11R1.265 [13CH3]Sc1cncc(c1C=O)F 62a_100010064882_200025704644 [0,1,0,0,0,0|1,1,0]=3 2308 B11R1.265 [13CH3]Sc1cncc(c1C=O)F 62a_200025704644_100010064882 [0,1,0,0,0,0|1,1,0]=3 2309 B11R1.265 [13CH3]Sc1nccc(c1C=O)N 62a_100000050385_200025704644 [0,1,0,0,0,0|1,1,0]=3 2310 B11R1.265 [13CH3]Sc1nccc(c1C=O)N 62a_200025704644_100000050385 [0,1,0,0,0,0|1,1,0]=3 2311 B11R1.265 [13CH3]Sc1nccc(c1C=O)O 62a_200010729673_200025704644 [0,1,0,0,0,0|1,1,0]=3 2312 B11R1.265 [13CH3]Sc1ncnc(c1C=O)N 62a_100000765549_200025704644 [0,1,0,0,0,0|2,1,0]=4 2313 B11R1.265 [13CH3]Sc1ncnc(c1C=O)N 62a_200025704644_100000765549 [0,1,0,0,0,0|2,1,0]=4 2314 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|0,0,2]=3 2315 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,0,0,1,0,0|1,0,2]=4 2316 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|0,1,2]=4 2317 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|2,0,1]=4 2318 B9R1.14 C=Cc1c[nH]nc1OC 271570a_100011290941_100010982843 [0,0,0,0,1,0|3,0,0]=4 2319 B9R1.14 C=Cc1ccoc1C=O 271570a_100011290941_100000756499 [0,0,0,0,1,0|2,0,1]=4 2320 B9R1.14 C=Cc1ccsc1C=O 271570a_100011290941_100000766043 [0,0,0,0,1,0|2,0,1]=4 2321 B9R1.14 C=Cc1ccsc1SC 271570a_100011290941_200010341309 [0,0,0,0,1,0|2,1,0]=4 2322 B9R1.14 C=Cc1cscc1C=O 271570a_100011290941_100000685484 [0,0,0,0,1,0|2,0,1]=4 2323 B9R1.14 C=Cc1cscc1CC 271570a_100011290941_100011068457 [0,0,0,0,1,0|3,0,0]=4 2324 B9R1.14 C=Cc1sccc1C=O 271570a_100011290941_100009816921 [0,0,0,0,1,0|2,0,1]=4 2325 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [0,0,0,0,1,0|3,0,0]=4 2326 B9R1.14 CSc1[nH]cnc1C=O 62a_100015192532_200000210301 [0,0,0,0,1,0|2,1,0]=4 2327 B9R1.14 CSc1[nH]cnc1C=O 62a_200000210301_100015192532 [0,0,0,0,1,0|2,1,0]=4 2328 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [0,0,0,0,1,0|1,1,0]=3 2329 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [0,0,0,0,1,0|1,1,0]=3 2330 B9R1.14 CSc1ccsc1C=O 62a_100000766043_200000210301 [0,0,0,0,1,0|1,1,0]=3 2331 B9R1.14 CSc1ccsc1C=O 62a_200000210301_100000766043 [0,0,0,0,1,0|1,1,0]=3 2332 B9R1.14 CSc1cn[nH]c1C=O 62a_100000732679_200000210301 [0,0,0,0,1,0|2,1,0]=4 2333 B9R1.14 CSc1cn[nH]c1C=O 62a_200000210301_100000732679 [0,0,0,0,1,0|2,1,0]=4 2334 B9R1.14 CSc1cscc1C=O 62a_100000685484_200000210301 [0,0,0,0,1,0|1,1,0]=3 2335 B9R1.14 CSc1cscc1C=O 62a_200000210301_100000685484 [0,0,0,0,1,0|1,1,0]=3 2336 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [0,0,0,0,1,0|1,1,0]=3 2337 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [0,0,0,0,1,0|1,1,0]=3 2338 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_100015192532_200025704644 [0,0,0,0,1,0|2,1,0]=4 2339 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_200025704644_100015192532 [0,0,0,0,1,0|2,1,0]=4 2340 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [0,0,0,0,1,0|1,1,0]=3 2341 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [0,0,0,0,1,0|1,1,0]=3 2342 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_100000766043_200025704644 [0,0,0,0,1,0|1,1,0]=3 2343 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_200025704644_100000766043 [0,0,0,0,1,0|1,1,0]=3 2344 B9R1.14 [13CH3]Sc1cn[nH]c1C=O 62a_100000732679_200025704644 [0,0,0,0,1,0|2,1,0]=4 2345 B9R1.14 [13CH3]Sc1cn[nH]c1C=O 62a_200025704644_100000732679 [0,0,0,0,1,0|2,1,0]=4 2346 B9R1.14 [13CH3]Sc1cscc1C=O 62a_100000685484_200025704644 [0,0,0,0,1,0|1,1,0]=3 2347 B9R1.14 [13CH3]Sc1cscc1C=O 62a_200025704644_100000685484 [0,0,0,0,1,0|1,1,0]=3 2348 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [0,0,0,0,1,0|1,1,0]=3 2349 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [0,0,0,0,1,0|1,1,0]=3 2350 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,0,1,0,0,0|1,0,1]=4 2351 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [1,0,1,0,0,0|2,0,0]=4 2352 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|1,0,0]=3 2353 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|2,0,0]=4 2354 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|2,0,0]=4 2355 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|2,0,0]=4 2356 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 2357 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 2358 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 2359 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 2360 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 2361 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|1,0,0]=3 2362 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [2,0,0,0,0,0|2,0,0]=4 2363 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [2,0,0,0,0,0|2,0,0]=4 2364 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|0,1,0]=3 2365 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|0,1,0]=3 2366 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|1,1,0]=4 2367 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|1,1,0]=4 2368 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|1,1,0]=4 2369 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|1,1,0]=4 2370 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|1,1,0]=4 2371 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|1,1,0]=4 2372 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 2373 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 2374 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 2375 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 2376 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 2377 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|1,0,0]=3 2378 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [2,0,0,0,0,0|2,0,0]=4 2379 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [2,0,0,0,0,0|2,0,0]=4 2380 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|0,1,0]=3 2381 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|0,1,0]=3 2382 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|1,1,0]=4 2383 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|1,1,0]=4 2384 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|1,1,0]=4 2385 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|1,1,0]=4 2386 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|1,1,0]=4 2387 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|1,1,0]=4 2388 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [2,0,0,0,0,0|1,0,1]=4 2389 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [2,0,0,0,0,0|0,0,1]=3 2390 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [2,0,0,0,0,0|1,0,1]=4 2391 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [2,0,0,0,0,0|1,0,1]=4 2392 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [2,0,0,0,0,0|1,0,1]=4 2393 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [2,0,0,0,0,0|1,0,1]=4 2394 B8R1.5 Nc1ccccc1O 271570a_203496583355_100000210017 [2,0,0,0,0,0|1,0,0]=3 2395 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [2,0,0,0,0,0|2,0,0]=4 2396 B8R1.5 Nc1ccncc1O 271570a_203496583355_100000047001 [2,0,0,0,0,0|2,0,0]=4 2397 B8R1.5 Nc1cnccc1O 271570a_203496583355_100009815883 [2,0,0,0,0,0|2,0,0]=4 2398 B8R1.5 Nc1ncccc1O 271570a_203496583355_100000045569 [2,0,0,0,0,0|2,0,0]=4 2399 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [2,0,0,0,0,0|1,0,0]=3 2400 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [2,0,0,0,0,0|2,0,0]=4 2401 B8R1.5 O=c1[nH]nccc1O 271570a_203496583355_100000087129 [2,0,0,0,0,0|2,0,0]=4 2402 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [2,0,0,0,0,0|1,0,0]=3 2403 B8R1.5 Oc1c[nH]ccc1=S 271570a_203496583355_200012280681 [2,0,0,0,0,0|1,1,0]=4 2404 B8R1.5 Oc1ccccc1Br 271570a_203496583355_100000695589 [2,0,0,0,0,0|1,0,0]=3 2405 B8R1.5 Oc1ccccc1Cl 271570a_203496583355_100000764095 [2,0,0,0,0,0|1,0,0]=3 2406 B8R1.5 Oc1ccccc1F 271570a_203496583355_100011215700 [2,0,0,0,0,0|1,0,0]=3 2407 B8R1.5 Oc1ccccc1O 271570a_203496583355_100000739446 [2,0,0,0,0,0|0,0,1]=3 2408 B8R1.5 Oc1cccnc1Br 271570a_203496583355_100010202626 [2,0,0,0,0,0|2,0,0]=4 2409 B8R1.5 Oc1cccnc1Cl 271570a_203496583355_100000036424 [2,0,0,0,0,0|2,0,0]=4 2410 B8R1.5 Oc1cccnc1F 271570a_203496583355_100009816115 [2,0,0,0,0,0|2,0,0]=4 2411 B8R1.5 Oc1cccnc1O 271570a_203496583355_100000034122 [2,0,0,0,0,0|1,0,1]=4 2412 B8R1.5 Oc1ccncc1Br 271570a_203496583355_100000726257 [2,0,0,0,0,0|2,0,0]=4 2413 B8R1.5 Oc1ccncc1Cl 271570a_203496583355_100000708259 [2,0,0,0,0,0|2,0,0]=4 2414 B8R1.5 Oc1ccncc1F 271570a_203496583355_100000047030 [2,0,0,0,0,0|2,0,0]=4 2415 B8R1.5 Oc1ccncc1O 271570a_203496583355_100009817591 [2,0,0,0,0,0|1,0,1]=4 2416 B8R1.5 Oc1cnccc1Br 271570a_203496583355_100010138639 [2,0,0,0,0,0|2,0,0]=4 2417 B8R1.5 Oc1cnccc1Cl 271570a_203496583355_100009995489 [2,0,0,0,0,0|2,0,0]=4 2418 B8R1.5 Oc1cnccc1F 271570a_203496583355_100009820683 [2,0,0,0,0,0|2,0,0]=4 2419 B8R1.5 Oc1ncccc1Br 271570a_203496583355_100000696092 [2,0,0,0,0,0|2,0,0]=4 2420 B8R1.5 Oc1ncccc1Cl 271570a_203496583355_100011356963 [2,0,0,0,0,0|2,0,0]=4 2421 B8R1.5 Oc1ncccc1F 271570a_203496583355_100000685392 [2,0,0,0,0,0|2,0,0]=4 2422 B8R1.5 [O-][n+]1ccccc1O 271570a_203496583355_200000042595 [2,0,0,0,0,0|1,0,1]=4 2423 B10R1.2 C=Cc1cccc(=O)n1C 271570a_100011290941_100000726605 [1,1,0,0,0,0|2,0,0]=4 2424 B10R1.2 C=Cc1cccc(c1Br)O 271570a_100011290941_100010187914 [1,1,0,0,0,0|2,0,0]=4 2425 B10R1.2 C=Cc1cccc(c1C)Br 271570a_100011290941_100012353703 [1,1,0,0,0,0|1,0,0]=3 2426 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [1,1,0,0,0,0|1,0,0]=3 2427 B10R1.2 C=Cc1cccc(c1C)Cl 271570a_100011290941_100000726075 [1,1,0,0,0,0|1,0,0]=3 2428 B10R1.2 C=Cc1cccc(c1C)F 271570a_100011290941_100011216893 [1,1,0,0,0,0|1,0,0]=3 2429 B10R1.2 C=Cc1cccc(c1C)N 271570a_100011290941_100000761887 [1,1,0,0,0,0|1,0,0]=3 2430 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [1,1,0,0,0,0|1,0,0]=3 2431 B10R1.2 C=Cc1cccc(c1Cl)Br 271570a_100011290941_100010142854 [1,1,0,0,0,0|2,0,0]=4 2432 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [1,1,0,0,0,0|2,0,0]=4 2433 B10R1.2 C=Cc1cccc(c1Cl)Cl 271570a_100011290941_100011215384 [1,1,0,0,0,0|2,0,0]=4 2434 B10R1.2 C=Cc1cccc(c1Cl)F 271570a_100011290941_200010234923 [1,1,0,0,0,0|2,0,0]=4 2435 B10R1.2 C=Cc1cccc(c1Cl)O 271570a_100011290941_100000049636 [1,1,0,0,0,0|2,0,0]=4 2436 B10R1.2 C=Cc1cccc(c1F)Br 271570a_100011290941_100000702267 [1,1,0,0,0,0|2,0,0]=4 2437 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [1,1,0,0,0,0|2,0,0]=4 2438 B10R1.2 C=Cc1cccc(c1F)Cl 271570a_100011290941_100011217346 [1,1,0,0,0,0|2,0,0]=4 2439 B10R1.2 C=Cc1cccc(c1F)F 271570a_100011290941_100000694657 [1,1,0,0,0,0|2,0,0]=4 2440 B10R1.2 C=Cc1cccc(c1F)N 271570a_100011290941_100011935091 [1,1,0,0,0,0|2,0,0]=4 2441 B10R1.2 C=Cc1cccc(c1F)O 271570a_100011290941_100009817021 [1,1,0,0,0,0|2,0,0]=4 2442 B10R1.2 C=Cc1cccc(c1N)Br 271570a_100011290941_100010146558 [1,1,0,0,0,0|2,0,0]=4 2443 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [1,1,0,0,0,0|2,0,0]=4 2444 B10R1.2 C=Cc1cccc(c1N)Cl 271570a_100011290941_100010190421 [1,1,0,0,0,0|2,0,0]=4 2445 B10R1.2 C=Cc1cccc(c1N)F 271570a_100011290941_100000042321 [1,1,0,0,0,0|2,0,0]=4 2446 B10R1.2 C=Cc1cccc(c1N)N 271570a_100011290941_100015191791 [1,1,0,0,0,0|2,0,0]=4 2447 B10R1.2 C=Cc1cccc(c1N)O 271570a_100011290941_100011934926 [1,1,0,0,0,0|2,0,0]=4 2448 B10R1.2 C=Cc1cccc(c1O)Br 271570a_100011290941_100010084509 [1,1,0,0,0,0|1,0,0]=3 2449 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [1,1,0,0,0,0|1,0,0]=3 2450 B10R1.2 C=Cc1cccc(c1O)Cl 271570a_100011290941_100010202889 [1,1,0,0,0,0|1,0,0]=3 2451 B10R1.2 C=Cc1cccc(c1O)F 271570a_100011290941_100009813666 [1,1,0,0,0,0|1,0,0]=3 2452 B10R1.2 C=Cc1cccc(c1O)N 271570a_100011290941_100011934915 [1,1,0,0,0,0|1,0,0]=3 2453 B10R1.2 C=Cc1cccc(c1O)O 271570a_100011290941_100009815950 [1,1,0,0,0,0|1,0,0]=3 2454 B10R1.2 C=Cc1ccnc(c1C)C 271570a_100011290941_100009846815 [1,1,0,0,0,0|2,0,0]=4 2455 B10R1.2 C=Cc1ccnc(c1C)Cl 271570a_100011290941_100000047055 [1,1,0,0,0,0|2,0,0]=4 2456 B10R1.2 C=Cc1ccnc(c1C)F 271570a_100011290941_100010006593 [1,1,0,0,0,0|2,0,0]=4 2457 B10R1.2 C=Cc1ccnc(c1C)N 271570a_100011290941_100009865460 [1,1,0,0,0,0|2,0,0]=4 2458 B10R1.2 C=Cc1ccnc(c1C)O 271570a_100011290941_100009858498 [1,1,0,0,0,0|2,0,0]=4 2459 B10R1.2 C=Cc1cncc(c1C)Br 271570a_100011290941_100010109657 [1,1,0,0,0,0|2,0,0]=4 2460 B10R1.2 C=Cc1cncc(c1C)C 271570a_100011290941_100009864703 [1,1,0,0,0,0|2,0,0]=4 2461 B10R1.2 C=Cc1cncc(c1C)F 271570a_100011290941_100009881546 [1,1,0,0,0,0|2,0,0]=4 2462 B10R1.2 C=Cc1cncc(c1C)N 271570a_100011290941_100011998293 [1,1,0,0,0,0|2,0,0]=4 2463 B10R1.2 C=Cc1nccc(c1C)C 271570a_100011290941_100009847204 [1,1,0,0,0,0|2,0,0]=4 2464 B10R1.2 C=Cc1nccc(c1C)F 271570a_100011290941_100009846374 [1,1,0,0,0,0|2,0,0]=4 2465 B10R1.2 C=Cc1nccc(c1C)N 271570a_100011290941_100009980296 [1,1,0,0,0,0|2,0,0]=4 2466 B10R1.2 C=Cc1nccc(c1O)C 271570a_100011290941_100000696282 [1,1,0,0,0,0|2,0,0]=4 2467 B10R1.2 C=Cc1nccc(c1O)F 271570a_100011290941_100009867227 [1,1,0,0,0,0|2,0,0]=4 2468 B10R1.2 CCc1cccc(c1O)C 271570a_203496583355_100000036235 [1,1,0,0,0,0|1,0,1]=4 2469 B10R1.2 CCc1cccc(c1O)O 271570a_203496583355_200010001580 [1,1,0,0,0,0|1,0,1]=4 2470 B10R1.2 CNc1cccc(c1Br)C 34a_100000684715_200000210301 [1,1,0,0,0,0|2,0,0]=4 2471 B10R1.2 CNc1cccc(c1Br)Cl 34a_100000687072_200000210301 [1,1,0,0,0,0|2,0,0]=4 2472 B10R1.2 CNc1cccc(c1Br)F 34a_100011934729_200000210301 [1,1,0,0,0,0|2,0,0]=4 2473 B10R1.2 CNc1cccc(c1Br)O 34a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2474 B10R1.2 CNc1cccc(c1Br)O 7a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2475 B10R1.2 CNc1cccc(c1C)Br 34a_100000750434_200000210301 [1,1,0,0,0,0|1,0,1]=4 2476 B10R1.2 CNc1cccc(c1C)C 2230a_100000210026_200000210301 [1,1,0,0,0,0|1,0,1]=4 2477 B10R1.2 CNc1cccc(c1C)C 34a_100000210026_200000210301 [1,1,0,0,0,0|1,0,1]=4 2478 B10R1.2 CNc1cccc(c1C)C 7a_100000210026_200000210301 [1,1,0,0,0,0|1,0,1]=4 2479 B10R1.2 CNc1cccc(c1C)Cl 2230a_100000210441_200000210301 [1,1,0,0,0,0|1,0,1]=4 2480 B10R1.2 CNc1cccc(c1C)Cl 34a_100000210441_200000210301 [1,1,0,0,0,0|1,0,1]=4 2481 B10R1.2 CNc1cccc(c1C)Cl 7a_100000210441_200000210301 [1,1,0,0,0,0|1,0,1]=4 2482 B10R1.2 CNc1cccc(c1C)F 34a_100000745574_200000210301 [1,1,0,0,0,0|1,0,1]=4 2483 B10R1.2 CNc1cccc(c1C)F 7a_100000745574_200000210301 [1,1,0,0,0,0|1,0,1]=4 2484 B10R1.2 CNc1cccc(c1C)I 34a_100000761887_200000210301 [1,1,0,0,0,0|1,0,1]=4 2485 B10R1.2 CNc1cccc(c1C)O 34a_100011216573_200000210301 [1,1,0,0,0,0|1,0,1]=4 2486 B10R1.2 CNc1cccc(c1C)O 7a_100011216573_200000210301 [1,1,0,0,0,0|1,0,1]=4 2487 B10R1.2 CNc1cccc(c1Cl)Br 34a_100000687075_200000210301 [1,1,0,0,0,0|2,0,0]=4 2488 B10R1.2 CNc1cccc(c1Cl)C 34a_100000765562_200000210301 [1,1,0,0,0,0|2,0,0]=4 2489 B10R1.2 CNc1cccc(c1Cl)C 7a_100000765562_200000210301 [1,1,0,0,0,0|2,0,0]=4 2490 B10R1.2 CNc1cccc(c1Cl)Cl 34a_100000185733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2491 B10R1.2 CNc1cccc(c1Cl)F 34a_100000692321_200000210301 [1,1,0,0,0,0|2,0,0]=4 2492 B10R1.2 CNc1cccc(c1Cl)O 34a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2493 B10R1.2 CNc1cccc(c1Cl)O 7a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2494 B10R1.2 CNc1cccc(c1F)Br 2230a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2495 B10R1.2 CNc1cccc(c1F)Br 34a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2496 B10R1.2 CNc1cccc(c1F)C 2230a_100000697159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2497 B10R1.2 CNc1cccc(c1F)C 34a_100000697159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2498 B10R1.2 CNc1cccc(c1F)C 7a_100000697159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2499 B10R1.2 CNc1cccc(c1F)Cl 2230a_100000199060_200000210301 [1,1,0,0,0,0|2,0,0]=4 2500 B10R1.2 CNc1cccc(c1F)Cl 34a_100000199060_200000210301 [1,1,0,0,0,0|2,0,0]=4 2501 B10R1.2 CNc1cccc(c1F)F 34a_100000743855_200000210301 [1,1,0,0,0,0|2,0,0]=4 2502 B10R1.2 CNc1cccc(c1I)Br 34a_100020590159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2503 B10R1.2 CNc1cccc(c1I)C 34a_100000761888_200000210301 [1,1,0,0,0,0|2,0,0]=4 2504 B10R1.2 CNc1cccc(c1I)Cl 34a_100000049713_200000210301 [1,1,0,0,0,0|2,0,0]=4 2505 B10R1.2 CNc1cccc(c1I)F 34a_100000690935_200000210301 [1,1,0,0,0,0|2,0,0]=4 2506 B10R1.2 CNc1cccc(c1N)O 271570a_203496583355_100000695761 [1,1,0,0,0,0|2,0,0]=4 2507 B10R1.2 CNc1cccc(c1O)Br 34a_100011934915_200000210301 [1,1,0,0,0,0|1,0,1]=4 2508 B10R1.2 CNc1cccc(c1O)C 34a_100000756359_200000210301 [1,1,0,0,0,0|1,0,1]=4 2509 B10R1.2 CNc1cccc(c1O)Cl 34a_100000754742_200000210301 [1,1,0,0,0,0|1,0,1]=4 2510 B10R1.2 CNc1cccc(c1O)F 34a_100011934987_200000210301 [1,1,0,0,0,0|1,0,1]=4 2511 B10R1.2 COc1cccc(c1Br)Br 34a_100010187966_200000210301 [1,1,0,0,0,0|1,0,0]=3 2512 B10R1.2 COc1cccc(c1Br)Br 7a_100010187966_200000210301 [1,1,0,0,0,0|1,0,0]=3 2513 B10R1.2 COc1cccc(c1Br)C 34a_100000686692_200000210301 [1,1,0,0,0,0|1,0,0]=3 2514 B10R1.2 COc1cccc(c1Br)C 7a_100000686692_200000210301 [1,1,0,0,0,0|1,0,0]=3 2515 B10R1.2 COc1cccc(c1Br)Cl 34a_100012348804_200000210301 [1,1,0,0,0,0|1,0,0]=3 2516 B10R1.2 COc1cccc(c1Br)Cl 7a_100012348804_200000210301 [1,1,0,0,0,0|1,0,0]=3 2517 B10R1.2 COc1cccc(c1Br)F 34a_100009820682_200000210301 [1,1,0,0,0,0|1,0,0]=3 2518 B10R1.2 COc1cccc(c1Br)F 7a_100009820682_200000210301 [1,1,0,0,0,0|1,0,0]=3 2519 B10R1.2 COc1cccc(c1Br)I 34a_100010187914_200000210301 [1,1,0,0,0,0|1,0,0]=3 2520 B10R1.2 COc1cccc(c1Br)I 7a_100010187914_200000210301 [1,1,0,0,0,0|1,0,0]=3 2521 B10R1.2 COc1cccc(c1Br)N 34a_100012183704_200000210301 [1,1,0,0,0,0|1,0,0]=3 2522 B10R1.2 COc1cccc(c1Br)N 7a_100012183704_200000210301 [1,1,0,0,0,0|1,0,0]=3 2523 B10R1.2 COc1cccc(c1C)Br 34a_100012002258_200000210301 [1,1,0,0,0,0|0,0,1]=3 2524 B10R1.2 COc1cccc(c1C)Br 7a_100012002258_200000210301 [1,1,0,0,0,0|0,0,1]=3 2525 B10R1.2 COc1cccc(c1C)C 34a_100000185855_200000210301 [1,1,0,0,0,0|0,0,1]=3 2526 B10R1.2 COc1cccc(c1C)C 7a_100000185855_200000210301 [1,1,0,0,0,0|0,0,1]=3 2527 B10R1.2 COc1cccc(c1C)Cl 34a_100011265684_200000210301 [1,1,0,0,0,0|0,0,1]=3 2528 B10R1.2 COc1cccc(c1C)Cl 7a_100011265684_200000210301 [1,1,0,0,0,0|0,0,1]=3 2529 B10R1.2 COc1cccc(c1C)F 34a_100011217231_200000210301 [1,1,0,0,0,0|0,0,1]=3 2530 B10R1.2 COc1cccc(c1C)F 7a_100011217231_200000210301 [1,1,0,0,0,0|0,0,1]=3 2531 B10R1.2 COc1cccc(c1C)N 34a_100011216573_200000210301 [1,1,0,0,0,0|0,0,1]=3 2532 B10R1.2 COc1cccc(c1C)N 7a_100011216573_200000210301 [1,1,0,0,0,0|0,0,1]=3 2533 B10R1.2 COc1cccc(c1C)O 271570a_203496583355_100010002647 [1,1,0,0,0,0|0,0,1]=3 2534 B10R1.2 COc1cccc(c1Cl)Br 34a_100010187913_200000210301 [1,1,0,0,0,0|1,0,0]=3 2535 B10R1.2 COc1cccc(c1Cl)Br 7a_100010187913_200000210301 [1,1,0,0,0,0|1,0,0]=3 2536 B10R1.2 COc1cccc(c1Cl)C 34a_100000695629_200000210301 [1,1,0,0,0,0|1,0,0]=3 2537 B10R1.2 COc1cccc(c1Cl)C 7a_100000695629_200000210301 [1,1,0,0,0,0|1,0,0]=3 2538 B10R1.2 COc1cccc(c1Cl)Cl 34a_100000211076_200000210301 [1,1,0,0,0,0|1,0,0]=3 2539 B10R1.2 COc1cccc(c1Cl)Cl 7a_100000211076_200000210301 [1,1,0,0,0,0|1,0,0]=3 2540 B10R1.2 COc1cccc(c1Cl)F 34a_100000087408_200000210301 [1,1,0,0,0,0|1,0,0]=3 2541 B10R1.2 COc1cccc(c1Cl)F 7a_100000087408_200000210301 [1,1,0,0,0,0|1,0,0]=3 2542 B10R1.2 COc1cccc(c1Cl)I 34a_100000049636_200000210301 [1,1,0,0,0,0|1,0,0]=3 2543 B10R1.2 COc1cccc(c1Cl)I 7a_100000049636_200000210301 [1,1,0,0,0,0|1,0,0]=3 2544 B10R1.2 COc1cccc(c1Cl)N 34a_100012002038_200000210301 [1,1,0,0,0,0|1,0,0]=3 2545 B10R1.2 COc1cccc(c1Cl)N 7a_100012002038_200000210301 [1,1,0,0,0,0|1,0,0]=3 2546 B10R1.2 COc1cccc(c1Cl)O 271570a_203496583355_100010147677 [1,1,0,0,0,0|1,0,0]=3 2547 B10R1.2 COc1cccc(c1F)Br 34a_100009817021_200000210301 [1,1,0,0,0,0|1,0,0]=3 2548 B10R1.2 COc1cccc(c1F)Br 7a_100009817021_200000210301 [1,1,0,0,0,0|1,0,0]=3 2549 B10R1.2 COc1cccc(c1F)C 34a_100000751311_200000210301 [1,1,0,0,0,0|1,0,0]=3 2550 B10R1.2 COc1cccc(c1F)C 7a_100000751311_200000210301 [1,1,0,0,0,0|1,0,0]=3 2551 B10R1.2 COc1cccc(c1F)Cl 34a_100000687438_200000210301 [1,1,0,0,0,0|1,0,0]=3 2552 B10R1.2 COc1cccc(c1F)Cl 7a_100000687438_200000210301 [1,1,0,0,0,0|1,0,0]=3 2553 B10R1.2 COc1cccc(c1F)F 34a_100000751161_200000210301 [1,1,0,0,0,0|1,0,0]=3 2554 B10R1.2 COc1cccc(c1F)F 7a_100000751161_200000210301 [1,1,0,0,0,0|1,0,0]=3 2555 B10R1.2 COc1cccc(c1F)O 271570a_203496583355_100010185846 [1,1,0,0,0,0|1,0,0]=3 2556 B10R1.2 COc1cccc(c1I)Br 34a_100010187912_200000210301 [1,1,0,0,0,0|1,0,0]=3 2557 B10R1.2 COc1cccc(c1I)Br 7a_100010187912_200000210301 [1,1,0,0,0,0|1,0,0]=3 2558 B10R1.2 COc1cccc(c1I)C 34a_100010083724_200000210301 [1,1,0,0,0,0|1,0,0]=3 2559 B10R1.2 COc1cccc(c1I)C 7a_100010083724_200000210301 [1,1,0,0,0,0|1,0,0]=3 2560 B10R1.2 COc1cccc(c1I)Cl 34a_100000050174_200000210301 [1,1,0,0,0,0|1,0,0]=3 2561 B10R1.2 COc1cccc(c1I)Cl 7a_100000050174_200000210301 [1,1,0,0,0,0|1,0,0]=3 2562 B10R1.2 COc1cccc(c1I)F 34a_100000690913_200000210301 [1,1,0,0,0,0|1,0,0]=3 2563 B10R1.2 COc1cccc(c1I)F 7a_100000690913_200000210301 [1,1,0,0,0,0|1,0,0]=3 2564 B10R1.2 COc1cccc(c1N)Br 34a_100011934926_200000210301 [1,1,0,0,0,0|1,0,0]=3 2565 B10R1.2 COc1cccc(c1N)Br 7a_100011934926_200000210301 [1,1,0,0,0,0|1,0,0]=3 2566 B10R1.2 COc1cccc(c1N)C 34a_100000743429_200000210301 [1,1,0,0,0,0|1,0,0]=3 2567 B10R1.2 COc1cccc(c1N)C 7a_100000743429_200000210301 [1,1,0,0,0,0|1,0,0]=3 2568 B10R1.2 COc1cccc(c1N)Cl 34a_100012022510_200000210301 [1,1,0,0,0,0|1,0,0]=3 2569 B10R1.2 COc1cccc(c1N)Cl 7a_100012022510_200000210301 [1,1,0,0,0,0|1,0,0]=3 2570 B10R1.2 COc1cccc(c1N)F 34a_100020591140_200000210301 [1,1,0,0,0,0|1,0,0]=3 2571 B10R1.2 COc1cccc(c1N)F 7a_100020591140_200000210301 [1,1,0,0,0,0|1,0,0]=3 2572 B10R1.2 COc1cccc(c1N)I 34a_200000049512_200000210301 [1,1,0,0,0,0|1,0,0]=3 2573 B10R1.2 COc1cccc(c1N)I 7a_200000049512_200000210301 [1,1,0,0,0,0|1,0,0]=3 2574 B10R1.2 COc1cccc(c1N)N 34a_100000033209_200000210301 [1,1,0,0,0,0|1,0,0]=3 2575 B10R1.2 COc1cccc(c1N)O 271570a_203496583355_100000708083 [1,1,0,0,0,0|1,0,0]=3 2576 B10R1.2 COc1cccc(c1O)Br 271570a_203496583355_100010131421 [1,1,0,0,0,0|0,0,1]=3 2577 B10R1.2 COc1cccc(c1O)F 271570a_203496583355_100000041735 [1,1,0,0,0,0|0,0,1]=3 2578 B10R1.2 COc1cccc(c1O)N 271570a_203496583355_100000703447 [1,1,0,0,0,0|0,0,1]=3 2579 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100000686866 [1,1,0,0,0,0|0,0,1]=3 2580 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100010202623 [1,1,0,0,0,0|0,0,1]=3 2581 B10R1.2 COc1cccn(c1=O)C 34a_100000117616_200000210301 [1,1,0,0,0,0|1,0,0]=3 2582 B10R1.2 COc1cccn(c1=O)C 7a_100000117616_200000210301 [1,1,0,0,0,0|1,0,0]=3 2583 B10R1.2 COc1ccnc(c1Br)Cl 34a_100010136240_200000210301 [1,1,0,0,0,0|2,0,0]=4 2584 B10R1.2 COc1ccnc(c1C)O 271570a_203496583355_100010067686 [1,1,0,0,0,0|1,0,1]=4 2585 B10R1.2 COc1ccnc(c1Cl)Cl 34a_100009860235_200000210301 [1,1,0,0,0,0|2,0,0]=4 2586 B10R1.2 COc1ccnc(c1F)Br 34a_100009876375_200000210301 [1,1,0,0,0,0|2,0,0]=4 2587 B10R1.2 COc1ccnc(c1F)Cl 34a_100009856406_200000210301 [1,1,0,0,0,0|2,0,0]=4 2588 B10R1.2 COc1ccnc(c1F)O 271570a_203496583355_200010136267 [1,1,0,0,0,0|2,0,0]=4 2589 B10R1.2 COc1ccnc(c1N)Cl 34a_100000128729_200000210301 [1,1,0,0,0,0|2,0,0]=4 2590 B10R1.2 COc1ccnc(c1N)O 271570a_203496583355_100000100113 [1,1,0,0,0,0|2,0,0]=4 2591 B10R1.2 COc1cncc(c1C)O 271570a_203496583355_100010136163 [1,1,0,0,0,0|1,0,1]=4 2592 B10R1.2 COc1nccc(c1Br)C 34a_100012000493_200000210301 [1,1,0,0,0,0|2,0,0]=4 2593 B10R1.2 COc1nccc(c1C)Br 34a_100009858498_200000210301 [1,1,0,0,0,0|1,0,1]=4 2594 B10R1.2 COc1nccc(c1C)O 271570a_203496583355_100010068544 [1,1,0,0,0,0|1,0,1]=4 2595 B10R1.2 COc1nccc(c1Cl)N 34a_200000093555_200000210301 [1,1,0,0,0,0|2,0,0]=4 2596 B10R1.2 COc1nccc(c1F)O 271570a_203496583355_100009885657 [1,1,0,0,0,0|2,0,0]=4 2597 B10R1.2 COc1nccc(c1O)C 271570a_203496583355_100012353928 [1,1,0,0,0,0|1,0,1]=4 2598 B10R1.2 COc1nccc(c1O)N 271570a_203496583355_100010243811 [1,1,0,0,0,0|1,0,1]=4 2599 B10R1.2 CSc1cccc(c1Br)Br 62a_100010175083_200000210301 [1,1,0,0,0,0|1,1,0]=4 2600 B10R1.2 CSc1cccc(c1Br)Br 62a_200000210301_100010175083 [1,1,0,0,0,0|1,1,0]=4 2601 B10R1.2 CSc1cccc(c1Br)C 62a_100012362457_200000210301 [1,1,0,0,0,0|1,1,0]=4 2602 B10R1.2 CSc1cccc(c1Br)C 62a_200000210301_100012362457 [1,1,0,0,0,0|1,1,0]=4 2603 B10R1.2 CSc1cccc(c1Br)Cl 62a_100014021842_200000210301 [1,1,0,0,0,0|1,1,0]=4 2604 B10R1.2 CSc1cccc(c1Br)Cl 62a_200000210301_100014021842 [1,1,0,0,0,0|1,1,0]=4 2605 B10R1.2 CSc1cccc(c1Br)F 62a_100010202630_200000210301 [1,1,0,0,0,0|1,1,0]=4 2606 B10R1.2 CSc1cccc(c1Br)F 62a_200000210301_100010202630 [1,1,0,0,0,0|1,1,0]=4 2607 B10R1.2 CSc1cccc(c1Br)O 62a_100010187914_200000210301 [1,1,0,0,0,0|1,1,0]=4 2608 B10R1.2 CSc1cccc(c1Br)O 62a_200000210301_100010187914 [1,1,0,0,0,0|1,1,0]=4 2609 B10R1.2 CSc1cccc(c1C)Br 62a_100012353703_200000210301 [1,1,0,0,0,0|0,1,1]=4 2610 B10R1.2 CSc1cccc(c1C)Br 62a_200000210301_100012353703 [1,1,0,0,0,0|0,1,1]=4 2611 B10R1.2 CSc1cccc(c1C)C 62a_100011214922_200000210301 [1,1,0,0,0,0|0,1,1]=4 2612 B10R1.2 CSc1cccc(c1C)C 62a_200000210301_100011214922 [1,1,0,0,0,0|0,1,1]=4 2613 B10R1.2 CSc1cccc(c1C)Cl 62a_100000726075_200000210301 [1,1,0,0,0,0|0,1,1]=4 2614 B10R1.2 CSc1cccc(c1C)Cl 62a_200000210301_100000726075 [1,1,0,0,0,0|0,1,1]=4 2615 B10R1.2 CSc1cccc(c1C)F 62a_100011216893_200000210301 [1,1,0,0,0,0|0,1,1]=4 2616 B10R1.2 CSc1cccc(c1C)F 62a_200000210301_100011216893 [1,1,0,0,0,0|0,1,1]=4 2617 B10R1.2 CSc1cccc(c1C)N 62a_100000761887_200000210301 [1,1,0,0,0,0|0,1,1]=4 2618 B10R1.2 CSc1cccc(c1C)N 62a_200000210301_100000761887 [1,1,0,0,0,0|0,1,1]=4 2619 B10R1.2 CSc1cccc(c1C)O 62a_100012002258_200000210301 [1,1,0,0,0,0|0,1,1]=4 2620 B10R1.2 CSc1cccc(c1C)O 62a_200000210301_100012002258 [1,1,0,0,0,0|0,1,1]=4 2621 B10R1.2 CSc1cccc(c1Cl)Br 62a_100010142854_200000210301 [1,1,0,0,0,0|1,1,0]=4 2622 B10R1.2 CSc1cccc(c1Cl)Br 62a_200000210301_100010142854 [1,1,0,0,0,0|1,1,0]=4 2623 B10R1.2 CSc1cccc(c1Cl)C 62a_200000210301_200012352035 [1,1,0,0,0,0|1,1,0]=4 2624 B10R1.2 CSc1cccc(c1Cl)C 62a_200012352035_200000210301 [1,1,0,0,0,0|1,1,0]=4 2625 B10R1.2 CSc1cccc(c1Cl)Cl 62a_100011215384_200000210301 [1,1,0,0,0,0|1,1,0]=4 2626 B10R1.2 CSc1cccc(c1Cl)Cl 62a_200000210301_100011215384 [1,1,0,0,0,0|1,1,0]=4 2627 B10R1.2 CSc1cccc(c1Cl)F 62a_200000210301_200010234923 [1,1,0,0,0,0|1,1,0]=4 2628 B10R1.2 CSc1cccc(c1Cl)F 62a_200010234923_200000210301 [1,1,0,0,0,0|1,1,0]=4 2629 B10R1.2 CSc1cccc(c1Cl)O 62a_200000210301_100000049636 [1,1,0,0,0,0|1,1,0]=4 2630 B10R1.2 CSc1cccc(c1F)Br 62a_100000702267_200000210301 [1,1,0,0,0,0|1,1,0]=4 2631 B10R1.2 CSc1cccc(c1F)Br 62a_200000210301_100000702267 [1,1,0,0,0,0|1,1,0]=4 2632 B10R1.2 CSc1cccc(c1F)C 62a_100000717567_200000210301 [1,1,0,0,0,0|1,1,0]=4 2633 B10R1.2 CSc1cccc(c1F)C 62a_200000210301_100000717567 [1,1,0,0,0,0|1,1,0]=4 2634 B10R1.2 CSc1cccc(c1F)Cl 62a_100011217346_200000210301 [1,1,0,0,0,0|1,1,0]=4 2635 B10R1.2 CSc1cccc(c1F)Cl 62a_200000210301_100011217346 [1,1,0,0,0,0|1,1,0]=4 2636 B10R1.2 CSc1cccc(c1F)F 62a_100000694657_200000210301 [1,1,0,0,0,0|1,1,0]=4 2637 B10R1.2 CSc1cccc(c1F)F 62a_200000210301_100000694657 [1,1,0,0,0,0|1,1,0]=4 2638 B10R1.2 CSc1cccc(c1F)N 62a_100011935091_200000210301 [1,1,0,0,0,0|1,1,0]=4 2639 B10R1.2 CSc1cccc(c1F)N 62a_200000210301_100011935091 [1,1,0,0,0,0|1,1,0]=4 2640 B10R1.2 CSc1cccc(c1F)O 62a_100009817021_200000210301 [1,1,0,0,0,0|1,1,0]=4 2641 B10R1.2 CSc1cccc(c1F)O 62a_200000210301_100009817021 [1,1,0,0,0,0|1,1,0]=4 2642 B10R1.2 CSc1cccc(c1N)Br 62a_100010146558_200000210301 [1,1,0,0,0,0|1,1,0]=4 2643 B10R1.2 CSc1cccc(c1N)Br 62a_200000210301_100010146558 [1,1,0,0,0,0|1,1,0]=4 2644 B10R1.2 CSc1cccc(c1N)C 62a_100011834072_200000210301 [1,1,0,0,0,0|1,1,0]=4 2645 B10R1.2 CSc1cccc(c1N)C 62a_200000210301_100011834072 [1,1,0,0,0,0|1,1,0]=4 2646 B10R1.2 CSc1cccc(c1N)Cl 62a_100010190421_200000210301 [1,1,0,0,0,0|1,1,0]=4 2647 B10R1.2 CSc1cccc(c1N)Cl 62a_200000210301_100010190421 [1,1,0,0,0,0|1,1,0]=4 2648 B10R1.2 CSc1cccc(c1N)F 62a_100000042321_200000210301 [1,1,0,0,0,0|1,1,0]=4 2649 B10R1.2 CSc1cccc(c1N)F 62a_200000210301_100000042321 [1,1,0,0,0,0|1,1,0]=4 2650 B10R1.2 CSc1cccc(c1N)N 62a_100015191791_200000210301 [1,1,0,0,0,0|1,1,0]=4 2651 B10R1.2 CSc1cccc(c1N)O 62a_200000210301_100011934926 [1,1,0,0,0,0|1,1,0]=4 2652 B10R1.2 CSc1cccc(c1O)Br 62a_100010084509_200000210301 [1,1,0,0,0,0|0,1,1]=4 2653 B10R1.2 CSc1cccc(c1O)Br 62a_200000210301_100010084509 [1,1,0,0,0,0|0,1,1]=4 2654 B10R1.2 CSc1cccc(c1O)C 62a_100009817157_200000210301 [1,1,0,0,0,0|0,1,1]=4 2655 B10R1.2 CSc1cccc(c1O)C 62a_200000210301_100009817157 [1,1,0,0,0,0|0,1,1]=4 2656 B10R1.2 CSc1cccc(c1O)Cl 62a_100010202889_200000210301 [1,1,0,0,0,0|0,1,1]=4 2657 B10R1.2 CSc1cccc(c1O)Cl 62a_200000210301_100010202889 [1,1,0,0,0,0|0,1,1]=4 2658 B10R1.2 CSc1cccc(c1O)F 62a_100009813666_200000210301 [1,1,0,0,0,0|0,1,1]=4 2659 B10R1.2 CSc1cccc(c1O)F 62a_200000210301_100009813666 [1,1,0,0,0,0|0,1,1]=4 2660 B10R1.2 CSc1cccc(c1O)N 62a_100011934915_200000210301 [1,1,0,0,0,0|0,1,1]=4 2661 B10R1.2 CSc1cccc(c1O)N 62a_200000210301_100010084371 [1,1,0,0,0,0|0,1,1]=4 2662 B10R1.2 CSc1cccc(c1O)O 62a_200000210301_100009815950 [1,1,0,0,0,0|0,1,1]=4 2663 B10R1.2 CSc1cccn(c1=O)C 62a_100000687173_200000210301 [1,1,0,0,0,0|1,1,0]=4 2664 B10R1.2 CSc1cccn(c1=O)C 62a_200000210301_100000687173 [1,1,0,0,0,0|1,1,0]=4 2665 B10R1.2 Cc1c(cccc1C#N)O 271570a_203496583355_100000721996 [1,1,0,0,0,0|1,0,1]=4 2666 B10R1.2 Cc1c(cccc1C=O)O 271570a_203496583355_100012179384 [1,1,0,0,0,0|0,0,0]=2 2667 B10R1.2 Cc1c(cccc1CN)O 271570a_203496583355_100000724210 [1,1,0,0,0,0|1,0,1]=4 2668 B10R1.2 Cc1c(cccc1CO)O 271570a_203496583355_100000694458 [1,1,0,0,0,0|0,0,2]=4 2669 B10R1.2 Cc1c(cccc1N[13CH3])Br 34a_100000750434_200025704644 [1,1,0,0,0,0|1,0,1]=4 2670 B10R1.2 Cc1c(cccc1N[13CH3])Cl 2230a_100000210441_200025704644 [1,1,0,0,0,0|1,0,1]=4 2671 B10R1.2 Cc1c(cccc1N[13CH3])Cl 34a_100000210441_200025704644 [1,1,0,0,0,0|1,0,1]=4 2672 B10R1.2 Cc1c(cccc1N[13CH3])Cl 7a_100000210441_200025704644 [1,1,0,0,0,0|1,0,1]=4 2673 B10R1.2 Cc1c(cccc1N[13CH3])F 34a_100000745574_200025704644 [1,1,0,0,0,0|1,0,1]=4 2674 B10R1.2 Cc1c(cccc1N[13CH3])F 7a_100000745574_200025704644 [1,1,0,0,0,0|1,0,1]=4 2675 B10R1.2 Cc1c(cccc1N[13CH3])I 34a_100000761887_200025704644 [1,1,0,0,0,0|1,0,1]=4 2676 B10R1.2 Cc1c(cccc1N[13CH3])O 34a_100011216573_200025704644 [1,1,0,0,0,0|1,0,1]=4 2677 B10R1.2 Cc1c(cccc1N[13CH3])O 7a_100011216573_200025704644 [1,1,0,0,0,0|1,0,1]=4 2678 B10R1.2 Cc1c(cccc1O[13CH3])Br 34a_100012002258_200025704644 [1,1,0,0,0,0|0,0,1]=3 2679 B10R1.2 Cc1c(cccc1O[13CH3])Br 7a_100012002258_200025704644 [1,1,0,0,0,0|0,0,1]=3 2680 B10R1.2 Cc1c(cccc1O[13CH3])Cl 34a_100011265684_200025704644 [1,1,0,0,0,0|0,0,1]=3 2681 B10R1.2 Cc1c(cccc1O[13CH3])Cl 7a_100011265684_200025704644 [1,1,0,0,0,0|0,0,1]=3 2682 B10R1.2 Cc1c(cccc1O[13CH3])F 34a_100011217231_200025704644 [1,1,0,0,0,0|0,0,1]=3 2683 B10R1.2 Cc1c(cccc1O[13CH3])F 7a_100011217231_200025704644 [1,1,0,0,0,0|0,0,1]=3 2684 B10R1.2 Cc1c(cccc1O[13CH3])N 34a_100011216573_200025704644 [1,1,0,0,0,0|0,0,1]=3 2685 B10R1.2 Cc1c(cccc1O[13CH3])N 7a_100011216573_200025704644 [1,1,0,0,0,0|0,0,1]=3 2686 B10R1.2 Cc1c(cccc1S[13CH3])Br 62a_100012353703_200025704644 [1,1,0,0,0,0|0,1,1]=4 2687 B10R1.2 Cc1c(cccc1S[13CH3])Br 62a_200025704644_100012353703 [1,1,0,0,0,0|0,1,1]=4 2688 B10R1.2 Cc1c(cccc1S[13CH3])Cl 62a_100000726075_200025704644 [1,1,0,0,0,0|0,1,1]=4 2689 B10R1.2 Cc1c(cccc1S[13CH3])Cl 62a_200025704644_100000726075 [1,1,0,0,0,0|0,1,1]=4 2690 B10R1.2 Cc1c(cccc1S[13CH3])F 62a_100011216893_200025704644 [1,1,0,0,0,0|0,1,1]=4 2691 B10R1.2 Cc1c(cccc1S[13CH3])F 62a_200025704644_100011216893 [1,1,0,0,0,0|0,1,1]=4 2692 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_100000761887_200025704644 [1,1,0,0,0,0|0,1,1]=4 2693 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_200025704644_100000761887 [1,1,0,0,0,0|0,1,1]=4 2694 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_100012002258_200025704644 [1,1,0,0,0,0|0,1,1]=4 2695 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_200025704644_100012002258 [1,1,0,0,0,0|0,1,1]=4 2696 B10R1.2 Cc1c(ccnc1O)C=O 271570a_203496583355_100000096011 [1,1,0,0,0,0|1,0,0]=3 2697 B10R1.2 Cc1c(ccnc1O[13CH3])Br 34a_100009858498_200025704644 [1,1,0,0,0,0|1,0,1]=4 2698 B10R1.2 Cc1c(cncc1C=O)O 271570a_203496583355_100010214934 [1,1,0,0,0,0|1,0,0]=3 2699 B10R1.2 Cc1cccc(c1Br)N[13CH3] 34a_100000684715_200025704644 [1,1,0,0,0,0|2,0,0]=4 2700 B10R1.2 Cc1cccc(c1Br)O[13CH3] 34a_100000686692_200025704644 [1,1,0,0,0,0|1,0,0]=3 2701 B10R1.2 Cc1cccc(c1Br)O[13CH3] 7a_100000686692_200025704644 [1,1,0,0,0,0|1,0,0]=3 2702 B10R1.2 Cc1cccc(c1Br)S[13CH3] 62a_100012362457_200025704644 [1,1,0,0,0,0|1,1,0]=4 2703 B10R1.2 Cc1cccc(c1Br)S[13CH3] 62a_200025704644_100012362457 [1,1,0,0,0,0|1,1,0]=4 2704 B10R1.2 Cc1cccc(c1C)N[13CH3] 2230a_100000210026_200025704644 [1,1,0,0,0,0|1,0,1]=4 2705 B10R1.2 Cc1cccc(c1C)N[13CH3] 34a_100000210026_200025704644 [1,1,0,0,0,0|1,0,1]=4 2706 B10R1.2 Cc1cccc(c1C)N[13CH3] 7a_100000210026_200025704644 [1,1,0,0,0,0|1,0,1]=4 2707 B10R1.2 Cc1cccc(c1C)O[13CH3] 34a_100000185855_200025704644 [1,1,0,0,0,0|0,0,1]=3 2708 B10R1.2 Cc1cccc(c1C)O[13CH3] 7a_100000185855_200025704644 [1,1,0,0,0,0|0,0,1]=3 2709 B10R1.2 Cc1cccc(c1C)S[13CH3] 62a_100011214922_200025704644 [1,1,0,0,0,0|0,1,1]=4 2710 B10R1.2 Cc1cccc(c1C)S[13CH3] 62a_200025704644_100011214922 [1,1,0,0,0,0|0,1,1]=4 2711 B10R1.2 Cc1cccc(c1Cl)N[13CH3] 34a_100000765562_200025704644 [1,1,0,0,0,0|2,0,0]=4 2712 B10R1.2 Cc1cccc(c1Cl)N[13CH3] 7a_100000765562_200025704644 [1,1,0,0,0,0|2,0,0]=4 2713 B10R1.2 Cc1cccc(c1Cl)O[13CH3] 34a_100000695629_200025704644 [1,1,0,0,0,0|1,0,0]=3 2714 B10R1.2 Cc1cccc(c1Cl)O[13CH3] 7a_100000695629_200025704644 [1,1,0,0,0,0|1,0,0]=3 2715 B10R1.2 Cc1cccc(c1Cl)S[13CH3] 62a_200012352035_200025704644 [1,1,0,0,0,0|1,1,0]=4 2716 B10R1.2 Cc1cccc(c1Cl)S[13CH3] 62a_200025704644_200012352035 [1,1,0,0,0,0|1,1,0]=4 2717 B10R1.2 Cc1cccc(c1F)N[13CH3] 2230a_100000697159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2718 B10R1.2 Cc1cccc(c1F)N[13CH3] 34a_100000697159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2719 B10R1.2 Cc1cccc(c1F)N[13CH3] 7a_100000697159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2720 B10R1.2 Cc1cccc(c1F)O[13CH3] 34a_100000751311_200025704644 [1,1,0,0,0,0|1,0,0]=3 2721 B10R1.2 Cc1cccc(c1F)O[13CH3] 7a_100000751311_200025704644 [1,1,0,0,0,0|1,0,0]=3 2722 B10R1.2 Cc1cccc(c1F)S[13CH3] 62a_100000717567_200025704644 [1,1,0,0,0,0|1,1,0]=4 2723 B10R1.2 Cc1cccc(c1F)S[13CH3] 62a_200025704644_100000717567 [1,1,0,0,0,0|1,1,0]=4 2724 B10R1.2 Cc1cccc(c1I)N[13CH3] 34a_100000761888_200025704644 [1,1,0,0,0,0|2,0,0]=4 2725 B10R1.2 Cc1cccc(c1I)O[13CH3] 34a_100010083724_200025704644 [1,1,0,0,0,0|1,0,0]=3 2726 B10R1.2 Cc1cccc(c1I)O[13CH3] 7a_100010083724_200025704644 [1,1,0,0,0,0|1,0,0]=3 2727 B10R1.2 Cc1cccc(c1N)O[13CH3] 34a_100000743429_200025704644 [1,1,0,0,0,0|1,0,0]=3 2728 B10R1.2 Cc1cccc(c1N)O[13CH3] 7a_100000743429_200025704644 [1,1,0,0,0,0|1,0,0]=3 2729 B10R1.2 Cc1cccc(c1N)S[13CH3] 62a_100011834072_200025704644 [1,1,0,0,0,0|1,1,0]=4 2730 B10R1.2 Cc1cccc(c1N)S[13CH3] 62a_200025704644_100011834072 [1,1,0,0,0,0|1,1,0]=4 2731 B10R1.2 Cc1cccc(c1O)C#N 271570a_203496583355_100011934862 [1,1,0,0,0,0|1,0,1]=4 2732 B10R1.2 Cc1cccc(c1O)CO 271570a_203496583355_100011659289 [1,1,0,0,0,0|0,0,2]=4 2733 B10R1.2 Cc1cccc(c1O)N[13CH3] 34a_100000756359_200025704644 [1,1,0,0,0,0|1,0,1]=4 2734 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_100009817157_200025704644 [1,1,0,0,0,0|0,1,1]=4 2735 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_200025704644_100009817157 [1,1,0,0,0,0|0,1,1]=4 2736 B10R1.2 Cc1ccnc(c1Br)O[13CH3] 34a_100012000493_200025704644 [1,1,0,0,0,0|2,0,0]=4 2737 B10R1.2 Cn1cccc(c1=O)O[13CH3] 34a_100000117616_200025704644 [1,1,0,0,0,0|1,0,0]=3 2738 B10R1.2 Cn1cccc(c1=O)O[13CH3] 7a_100000117616_200025704644 [1,1,0,0,0,0|1,0,0]=3 2739 B10R1.2 Cn1cccc(c1=O)S[13CH3] 62a_100000687173_200025704644 [1,1,0,0,0,0|1,1,0]=4 2740 B10R1.2 Cn1cccc(c1=O)S[13CH3] 62a_200025704644_100000687173 [1,1,0,0,0,0|1,1,0]=4 2741 B10R1.2 N#Cc1cccc(c1O)Br 271570a_203496583355_100000703783 [1,1,0,0,0,0|1,0,1]=4 2742 B10R1.2 N#Cc1cccc(c1O)Cl 271570a_203496583355_100010134094 [1,1,0,0,0,0|1,0,1]=4 2743 B10R1.2 N#Cc1cccc(c1O)F 271570a_203496583355_100011219237 [1,1,0,0,0,0|1,0,1]=4 2744 B10R1.2 N#Cc1cccc(c1O)N 271570a_203496583355_100009877206 [1,1,0,0,0,0|1,0,1]=4 2745 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009817103 [1,1,0,0,0,0|1,0,1]=4 2746 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009818990 [1,1,0,0,0,0|1,0,1]=4 2747 B10R1.2 Nc1c(cccc1C=O)O 271570a_203496583355_100010144990 [1,1,0,0,0,0|1,0,0]=3 2748 B10R1.2 O=Cc1cccc(c1F)O 271570a_203496583355_100000766533 [1,1,0,0,0,0|1,0,0]=3 2749 B10R1.2 O=Cc1cccc(c1O)F 271570a_203496583355_100011998484 [1,1,0,0,0,0|0,0,0]=2 2750 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100000737635 [1,1,0,0,0,0|0,0,0]=2 2751 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100009816417 [1,1,0,0,0,0|0,0,0]=2 2752 B10R1.2 O=Cc1ccnc(c1F)O 271570a_203496583355_100010064874 [1,1,0,0,0,0|2,0,0]=4 2753 B10R1.2 O=Cc1ccnc(c1O)F 271570a_203496583355_100009856171 [1,1,0,0,0,0|1,0,0]=3 2754 B10R1.2 O=Cc1nccc(c1F)O 271570a_203496583355_100015713984 [1,1,0,0,0,0|2,0,0]=4 2755 B10R1.2 OCc1cccc(c1O)Br 271570a_203496583355_100010146604 [1,1,0,0,0,0|0,0,2]=4 2756 B10R1.2 OCc1cccc(c1O)F 271570a_203496583355_100000692438 [1,1,0,0,0,0|0,0,2]=4 2757 B10R1.2 [13CH3]Nc1cccc(c1Br)Cl 34a_100000687072_200025704644 [1,1,0,0,0,0|2,0,0]=4 2758 B10R1.2 [13CH3]Nc1cccc(c1Br)F 34a_100011934729_200025704644 [1,1,0,0,0,0|2,0,0]=4 2759 B10R1.2 [13CH3]Nc1cccc(c1Br)O 34a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2760 B10R1.2 [13CH3]Nc1cccc(c1Br)O 7a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2761 B10R1.2 [13CH3]Nc1cccc(c1Cl)Br 34a_100000687075_200025704644 [1,1,0,0,0,0|2,0,0]=4 2762 B10R1.2 [13CH3]Nc1cccc(c1Cl)Cl 34a_100000185733_200025704644 [1,1,0,0,0,0|2,0,0]=4 2763 B10R1.2 [13CH3]Nc1cccc(c1Cl)F 34a_100000692321_200025704644 [1,1,0,0,0,0|2,0,0]=4 2764 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 34a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2765 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 7a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2766 B10R1.2 [13CH3]Nc1cccc(c1F)Br 2230a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 2767 B10R1.2 [13CH3]Nc1cccc(c1F)Br 34a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 2768 B10R1.2 [13CH3]Nc1cccc(c1F)Cl 2230a_100000199060_200025704644 [1,1,0,0,0,0|2,0,0]=4 2769 B10R1.2 [13CH3]Nc1cccc(c1F)Cl 34a_100000199060_200025704644 [1,1,0,0,0,0|2,0,0]=4 2770 B10R1.2 [13CH3]Nc1cccc(c1F)F 34a_100000743855_200025704644 [1,1,0,0,0,0|2,0,0]=4 2771 B10R1.2 [13CH3]Nc1cccc(c1I)Br 34a_100020590159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2772 B10R1.2 [13CH3]Nc1cccc(c1I)Cl 34a_100000049713_200025704644 [1,1,0,0,0,0|2,0,0]=4 2773 B10R1.2 [13CH3]Nc1cccc(c1I)F 34a_100000690935_200025704644 [1,1,0,0,0,0|2,0,0]=4 2774 B10R1.2 [13CH3]Nc1cccc(c1O)Br 34a_100011934915_200025704644 [1,1,0,0,0,0|1,0,1]=4 2775 B10R1.2 [13CH3]Nc1cccc(c1O)Cl 34a_100000754742_200025704644 [1,1,0,0,0,0|1,0,1]=4 2776 B10R1.2 [13CH3]Nc1cccc(c1O)F 34a_100011934987_200025704644 [1,1,0,0,0,0|1,0,1]=4 2777 B10R1.2 [13CH3]Oc1cccc(c1Br)Br 34a_100010187966_200025704644 [1,1,0,0,0,0|1,0,0]=3 2778 B10R1.2 [13CH3]Oc1cccc(c1Br)Br 7a_100010187966_200025704644 [1,1,0,0,0,0|1,0,0]=3 2779 B10R1.2 [13CH3]Oc1cccc(c1Br)Cl 34a_100012348804_200025704644 [1,1,0,0,0,0|1,0,0]=3 2780 B10R1.2 [13CH3]Oc1cccc(c1Br)Cl 7a_100012348804_200025704644 [1,1,0,0,0,0|1,0,0]=3 2781 B10R1.2 [13CH3]Oc1cccc(c1Br)F 34a_100009820682_200025704644 [1,1,0,0,0,0|1,0,0]=3 2782 B10R1.2 [13CH3]Oc1cccc(c1Br)F 7a_100009820682_200025704644 [1,1,0,0,0,0|1,0,0]=3 2783 B10R1.2 [13CH3]Oc1cccc(c1Br)I 34a_100010187914_200025704644 [1,1,0,0,0,0|1,0,0]=3 2784 B10R1.2 [13CH3]Oc1cccc(c1Br)I 7a_100010187914_200025704644 [1,1,0,0,0,0|1,0,0]=3 2785 B10R1.2 [13CH3]Oc1cccc(c1Br)N 34a_100012183704_200025704644 [1,1,0,0,0,0|1,0,0]=3 2786 B10R1.2 [13CH3]Oc1cccc(c1Br)N 7a_100012183704_200025704644 [1,1,0,0,0,0|1,0,0]=3 2787 B10R1.2 [13CH3]Oc1cccc(c1Cl)Br 34a_100010187913_200025704644 [1,1,0,0,0,0|1,0,0]=3 2788 B10R1.2 [13CH3]Oc1cccc(c1Cl)Br 7a_100010187913_200025704644 [1,1,0,0,0,0|1,0,0]=3 2789 B10R1.2 [13CH3]Oc1cccc(c1Cl)Cl 34a_100000211076_200025704644 [1,1,0,0,0,0|1,0,0]=3 2790 B10R1.2 [13CH3]Oc1cccc(c1Cl)Cl 7a_100000211076_200025704644 [1,1,0,0,0,0|1,0,0]=3 2791 B10R1.2 [13CH3]Oc1cccc(c1Cl)F 34a_100000087408_200025704644 [1,1,0,0,0,0|1,0,0]=3 2792 B10R1.2 [13CH3]Oc1cccc(c1Cl)F 7a_100000087408_200025704644 [1,1,0,0,0,0|1,0,0]=3 2793 B10R1.2 [13CH3]Oc1cccc(c1Cl)I 34a_100000049636_200025704644 [1,1,0,0,0,0|1,0,0]=3 2794 B10R1.2 [13CH3]Oc1cccc(c1Cl)I 7a_100000049636_200025704644 [1,1,0,0,0,0|1,0,0]=3 2795 B10R1.2 [13CH3]Oc1cccc(c1Cl)N 34a_100012002038_200025704644 [1,1,0,0,0,0|1,0,0]=3 2796 B10R1.2 [13CH3]Oc1cccc(c1Cl)N 7a_100012002038_200025704644 [1,1,0,0,0,0|1,0,0]=3 2797 B10R1.2 [13CH3]Oc1cccc(c1F)Br 34a_100009817021_200025704644 [1,1,0,0,0,0|1,0,0]=3 2798 B10R1.2 [13CH3]Oc1cccc(c1F)Br 7a_100009817021_200025704644 [1,1,0,0,0,0|1,0,0]=3 2799 B10R1.2 [13CH3]Oc1cccc(c1F)Cl 34a_100000687438_200025704644 [1,1,0,0,0,0|1,0,0]=3 2800 B10R1.2 [13CH3]Oc1cccc(c1F)Cl 7a_100000687438_200025704644 [1,1,0,0,0,0|1,0,0]=3 2801 B10R1.2 [13CH3]Oc1cccc(c1F)F 34a_100000751161_200025704644 [1,1,0,0,0,0|1,0,0]=3 2802 B10R1.2 [13CH3]Oc1cccc(c1F)F 7a_100000751161_200025704644 [1,1,0,0,0,0|1,0,0]=3 2803 B10R1.2 [13CH3]Oc1cccc(c1I)Br 34a_100010187912_200025704644 [1,1,0,0,0,0|1,0,0]=3 2804 B10R1.2 [13CH3]Oc1cccc(c1I)Br 7a_100010187912_200025704644 [1,1,0,0,0,0|1,0,0]=3 2805 B10R1.2 [13CH3]Oc1cccc(c1I)Cl 34a_100000050174_200025704644 [1,1,0,0,0,0|1,0,0]=3 2806 B10R1.2 [13CH3]Oc1cccc(c1I)Cl 7a_100000050174_200025704644 [1,1,0,0,0,0|1,0,0]=3 2807 B10R1.2 [13CH3]Oc1cccc(c1I)F 34a_100000690913_200025704644 [1,1,0,0,0,0|1,0,0]=3 2808 B10R1.2 [13CH3]Oc1cccc(c1I)F 7a_100000690913_200025704644 [1,1,0,0,0,0|1,0,0]=3 2809 B10R1.2 [13CH3]Oc1cccc(c1N)Br 34a_100011934926_200025704644 [1,1,0,0,0,0|1,0,0]=3 2810 B10R1.2 [13CH3]Oc1cccc(c1N)Br 7a_100011934926_200025704644 [1,1,0,0,0,0|1,0,0]=3 2811 B10R1.2 [13CH3]Oc1cccc(c1N)Cl 34a_100012022510_200025704644 [1,1,0,0,0,0|1,0,0]=3 2812 B10R1.2 [13CH3]Oc1cccc(c1N)Cl 7a_100012022510_200025704644 [1,1,0,0,0,0|1,0,0]=3 2813 B10R1.2 [13CH3]Oc1cccc(c1N)F 34a_100020591140_200025704644 [1,1,0,0,0,0|1,0,0]=3 2814 B10R1.2 [13CH3]Oc1cccc(c1N)F 7a_100020591140_200025704644 [1,1,0,0,0,0|1,0,0]=3 2815 B10R1.2 [13CH3]Oc1cccc(c1N)I 34a_200000049512_200025704644 [1,1,0,0,0,0|1,0,0]=3 2816 B10R1.2 [13CH3]Oc1cccc(c1N)I 7a_200000049512_200025704644 [1,1,0,0,0,0|1,0,0]=3 2817 B10R1.2 [13CH3]Oc1cccc(c1N)N 34a_100000033209_200025704644 [1,1,0,0,0,0|1,0,0]=3 2818 B10R1.2 [13CH3]Oc1ccnc(c1Br)Cl 34a_100010136240_200025704644 [1,1,0,0,0,0|2,0,0]=4 2819 B10R1.2 [13CH3]Oc1ccnc(c1Cl)Cl 34a_100009860235_200025704644 [1,1,0,0,0,0|2,0,0]=4 2820 B10R1.2 [13CH3]Oc1ccnc(c1F)Br 34a_100009876375_200025704644 [1,1,0,0,0,0|2,0,0]=4 2821 B10R1.2 [13CH3]Oc1ccnc(c1F)Cl 34a_100009856406_200025704644 [1,1,0,0,0,0|2,0,0]=4 2822 B10R1.2 [13CH3]Oc1ccnc(c1N)Cl 34a_100000128729_200025704644 [1,1,0,0,0,0|2,0,0]=4 2823 B10R1.2 [13CH3]Oc1nccc(c1Cl)N 34a_200000093555_200025704644 [1,1,0,0,0,0|2,0,0]=4 2824 B10R1.2 [13CH3]Sc1cccc(c1Br)Br 62a_100010175083_200025704644 [1,1,0,0,0,0|1,1,0]=4 2825 B10R1.2 [13CH3]Sc1cccc(c1Br)Br 62a_200025704644_100010175083 [1,1,0,0,0,0|1,1,0]=4 2826 B10R1.2 [13CH3]Sc1cccc(c1Br)Cl 62a_100014021842_200025704644 [1,1,0,0,0,0|1,1,0]=4 2827 B10R1.2 [13CH3]Sc1cccc(c1Br)Cl 62a_200025704644_100014021842 [1,1,0,0,0,0|1,1,0]=4 2828 B10R1.2 [13CH3]Sc1cccc(c1Br)F 62a_100010202630_200025704644 [1,1,0,0,0,0|1,1,0]=4 2829 B10R1.2 [13CH3]Sc1cccc(c1Br)F 62a_200025704644_100010202630 [1,1,0,0,0,0|1,1,0]=4 2830 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_100010187914_200025704644 [1,1,0,0,0,0|1,1,0]=4 2831 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_200025704644_100010187914 [1,1,0,0,0,0|1,1,0]=4 2832 B10R1.2 [13CH3]Sc1cccc(c1Cl)Br 62a_100010142854_200025704644 [1,1,0,0,0,0|1,1,0]=4 2833 B10R1.2 [13CH3]Sc1cccc(c1Cl)Br 62a_200025704644_100010142854 [1,1,0,0,0,0|1,1,0]=4 2834 B10R1.2 [13CH3]Sc1cccc(c1Cl)Cl 62a_100011215384_200025704644 [1,1,0,0,0,0|1,1,0]=4 2835 B10R1.2 [13CH3]Sc1cccc(c1Cl)Cl 62a_200025704644_100011215384 [1,1,0,0,0,0|1,1,0]=4 2836 B10R1.2 [13CH3]Sc1cccc(c1Cl)F 62a_200010234923_200025704644 [1,1,0,0,0,0|1,1,0]=4 2837 B10R1.2 [13CH3]Sc1cccc(c1Cl)F 62a_200025704644_200010234923 [1,1,0,0,0,0|1,1,0]=4 2838 B10R1.2 [13CH3]Sc1cccc(c1Cl)O 62a_200025704644_100000049636 [1,1,0,0,0,0|1,1,0]=4 2839 B10R1.2 [13CH3]Sc1cccc(c1F)Br 62a_100000702267_200025704644 [1,1,0,0,0,0|1,1,0]=4 2840 B10R1.2 [13CH3]Sc1cccc(c1F)Br 62a_200025704644_100000702267 [1,1,0,0,0,0|1,1,0]=4 2841 B10R1.2 [13CH3]Sc1cccc(c1F)Cl 62a_100011217346_200025704644 [1,1,0,0,0,0|1,1,0]=4 2842 B10R1.2 [13CH3]Sc1cccc(c1F)Cl 62a_200025704644_100011217346 [1,1,0,0,0,0|1,1,0]=4 2843 B10R1.2 [13CH3]Sc1cccc(c1F)F 62a_100000694657_200025704644 [1,1,0,0,0,0|1,1,0]=4 2844 B10R1.2 [13CH3]Sc1cccc(c1F)F 62a_200025704644_100000694657 [1,1,0,0,0,0|1,1,0]=4 2845 B10R1.2 [13CH3]Sc1cccc(c1F)N 62a_100011935091_200025704644 [1,1,0,0,0,0|1,1,0]=4 2846 B10R1.2 [13CH3]Sc1cccc(c1F)N 62a_200025704644_100011935091 [1,1,0,0,0,0|1,1,0]=4 2847 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_100009817021_200025704644 [1,1,0,0,0,0|1,1,0]=4 2848 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_200025704644_100009817021 [1,1,0,0,0,0|1,1,0]=4 2849 B10R1.2 [13CH3]Sc1cccc(c1N)Br 62a_100010146558_200025704644 [1,1,0,0,0,0|1,1,0]=4 2850 B10R1.2 [13CH3]Sc1cccc(c1N)Br 62a_200025704644_100010146558 [1,1,0,0,0,0|1,1,0]=4 2851 B10R1.2 [13CH3]Sc1cccc(c1N)Cl 62a_100010190421_200025704644 [1,1,0,0,0,0|1,1,0]=4 2852 B10R1.2 [13CH3]Sc1cccc(c1N)Cl 62a_200025704644_100010190421 [1,1,0,0,0,0|1,1,0]=4 2853 B10R1.2 [13CH3]Sc1cccc(c1N)F 62a_100000042321_200025704644 [1,1,0,0,0,0|1,1,0]=4 2854 B10R1.2 [13CH3]Sc1cccc(c1N)F 62a_200025704644_100000042321 [1,1,0,0,0,0|1,1,0]=4 2855 B10R1.2 [13CH3]Sc1cccc(c1N)N 62a_100015191791_200025704644 [1,1,0,0,0,0|1,1,0]=4 2856 B10R1.2 [13CH3]Sc1cccc(c1N)O 62a_200025704644_100011934926 [1,1,0,0,0,0|1,1,0]=4 2857 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_100010084509_200025704644 [1,1,0,0,0,0|0,1,1]=4 2858 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_200025704644_100010084509 [1,1,0,0,0,0|0,1,1]=4 2859 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_100010202889_200025704644 [1,1,0,0,0,0|0,1,1]=4 2860 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_200025704644_100010202889 [1,1,0,0,0,0|0,1,1]=4 2861 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_100009813666_200025704644 [1,1,0,0,0,0|0,1,1]=4 2862 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_200025704644_100009813666 [1,1,0,0,0,0|0,1,1]=4 2863 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_100011934915_200025704644 [1,1,0,0,0,0|0,1,1]=4 2864 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_200025704644_100010084371 [1,1,0,0,0,0|0,1,1]=4 2865 B10R1.2 [13CH3]Sc1cccc(c1O)O 62a_200025704644_100009815950 [1,1,0,0,0,0|0,1,1]=4 2866 B10R1.4 C=C=Cc1cccc[n+]1C 271570a_100015277604_100000212160 [1,1,0,0,0,0|2,0,0]=4 2867 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,1,0,0,0,0|2,0,0]=4 2868 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|1,0,0]=3 2869 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,1,0,0,0,0|2,0,0]=4 2870 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,1,0,0,0,0|2,0,0]=4 2871 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,1,0,0,0,0|2,0,0]=4 2872 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|1,0,0]=3 2873 B10R1.4 C=C=Cc1cccnc1C 271570a_100015277604_100000751574 [1,1,0,0,0,0|2,0,0]=4 2874 B10R1.4 C=C=Cc1ccncc1C 271570a_100015277604_100015191297 [1,1,0,0,0,0|2,0,0]=4 2875 B10R1.4 C=C=Cc1ccncc1O 271570a_100015277604_100009817591 [1,1,0,0,0,0|2,0,0]=4 2876 B10R1.4 C=C=Cc1cnccc1C 271570a_100015277604_100000761580 [1,1,0,0,0,0|2,0,0]=4 2877 B10R1.4 C=C=Cc1ncccc1C 271570a_100015277604_100000751373 [1,1,0,0,0,0|2,0,0]=4 2878 B10R1.4 C=C=Cc1ncccc1O 271570a_100015277604_100000034122 [1,1,0,0,0,0|2,0,0]=4 2879 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,0]=3 2880 B10R1.4 CC=Cc1c[nH]ccc1=O 271570a_100016259895_100009998708 [1,1,0,0,0,0|2,0,0]=4 2881 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [1,1,0,0,0,0|2,0,0]=4 2882 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [1,1,0,0,0,0|2,0,0]=4 2883 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|2,0,0]=4 2884 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,0]=3 2885 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|2,0,0]=4 2886 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|2,0,0]=4 2887 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|2,0,0]=4 2888 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,0]=3 2889 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,1,0,0,0,0|2,0,0]=4 2890 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [1,1,0,0,0,0|2,0,0]=4 2891 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,1,0,0,0,0|2,0,0]=4 2892 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [1,1,0,0,0,0|2,0,0]=4 2893 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,1,0,0,0,0|2,0,0]=4 2894 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|2,0,0]=4 2895 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|2,0,0]=4 2896 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|1,0,1]=4 2897 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|2,0,0]=4 2898 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|2,0,0]=4 2899 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|2,0,0]=4 2900 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|1,0,1]=4 2901 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,1]=4 2902 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [1,1,0,0,0,0|1,0,1]=4 2903 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|1,0,0]=3 2904 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|1,0,0]=3 2905 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|0,0,1]=3 2906 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|0,0,1]=3 2907 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|1,0,0]=3 2908 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|1,0,0]=3 2909 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|1,0,0]=3 2910 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|1,0,0]=3 2911 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|1,0,0]=3 2912 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|1,0,0]=3 2913 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,0]=3 2914 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|1,0,0]=3 2915 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|0,0,1]=3 2916 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,1,0,0,0,0|2,0,0]=4 2917 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,1,0,0,0,0|2,0,0]=4 2918 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,1,0,0,0,0|1,0,1]=4 2919 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,1,0,0,0,0|1,0,1]=4 2920 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,1,0,0,0,0|2,0,0]=4 2921 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,1,0,0,0,0|2,0,0]=4 2922 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,1,0,0,0,0|2,0,0]=4 2923 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,1,0,0,0,0|2,0,0]=4 2924 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 2925 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 2926 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,1,0,0,0,0|2,0,0]=4 2927 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,1,0,0,0,0|2,0,0]=4 2928 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,1,0,0,0,0|1,0,1]=4 2929 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [1,1,0,0,0,0|1,0,0]=3 2930 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [1,1,0,0,0,0|1,0,0]=3 2931 B10R1.4 CCOc1ccncc1Br 34a_100011996408_100000210202 [1,1,0,0,0,0|2,0,0]=4 2932 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [1,1,0,0,0,0|1,0,1]=4 2933 B10R1.4 CCOc1ccncc1Cl 34a_100011997054_100000210202 [1,1,0,0,0,0|2,0,0]=4 2934 B10R1.4 CCOc1ccncc1F 34a_200000081243_100000210202 [1,1,0,0,0,0|2,0,0]=4 2935 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,1,0,0,0,0|1,0,1]=4 2936 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,1,0,0,0,0|1,0,1]=4 2937 B10R1.4 CCOc1cnccc1Cl 34a_100011996695_100000210202 [1,1,0,0,0,0|2,0,0]=4 2938 B10R1.4 CCOc1cnccc1I 34a_100000050107_100000210202 [1,1,0,0,0,0|2,0,0]=4 2939 B10R1.4 CCOc1cnccc1N 34a_100000753702_100000210202 [1,1,0,0,0,0|2,0,0]=4 2940 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [1,1,0,0,0,0|1,0,0]=3 2941 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,1,0,0,0,0|2,0,0]=4 2942 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,1,0,0,0,0|2,0,0]=4 2943 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,1,0,0,0,0|2,0,0]=4 2944 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,1,0,0,0,0|1,0,1]=4 2945 B10R1.4 CCSc1c[nH]ccc1=O 62a_100000210202_100009998708 [1,1,0,0,0,0|1,1,0]=4 2946 B10R1.4 CCSc1c[nH]ccc1=O 62a_100009998708_100000210202 [1,1,0,0,0,0|1,1,0]=4 2947 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|1,1,0]=4 2948 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|1,1,0]=4 2949 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|0,1,1]=4 2950 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|0,1,1]=4 2951 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|1,1,0]=4 2952 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|1,1,0]=4 2953 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|1,1,0]=4 2954 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|1,1,0]=4 2955 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|1,1,0]=4 2956 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|1,1,0]=4 2957 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|0,1,1]=4 2958 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|0,1,1]=4 2959 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|0,1,1]=4 2960 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|2,0,0]=4 2961 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 2962 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 2963 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|2,0,0]=4 2964 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|2,0,0]=4 2965 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 2966 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|2,0,0]=4 2967 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 2968 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|1,0,1]=4 2969 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 2970 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|1,0,1]=4 2971 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|1,0,1]=4 2972 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|1,0,1]=4 2973 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 2974 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|2,0,0]=4 2975 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 2976 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 2977 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|2,0,0]=4 2978 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|2,0,0]=4 2979 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 2980 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|2,0,0]=4 2981 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 2982 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|2,0,0]=4 2983 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 2984 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|2,0,0]=4 2985 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|2,0,0]=4 2986 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|2,0,0]=4 2987 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 2988 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|2,0,0]=4 2989 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 2990 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|2,0,0]=4 2991 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|2,0,0]=4 2992 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 2993 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|1,0,1]=4 2994 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,1]=4 2995 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|1,0,0]=3 2996 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|1,0,0]=3 2997 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|1,0,0]=3 2998 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|0,0,1]=3 2999 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|0,0,1]=3 3000 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|0,0,1]=3 3001 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|1,0,0]=3 3002 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|1,0,0]=3 3003 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|1,0,0]=3 3004 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|1,0,0]=3 3005 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|1,0,0]=3 3006 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|1,0,0]=3 3007 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|1,0,0]=3 3008 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|1,0,0]=3 3009 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|1,0,0]=3 3010 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,0]=3 3011 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|0,0,1]=3 3012 B10R1.4 COCc1cccnc1Br 34a_100000719692_200000210301 [1,1,0,0,0,0|2,0,0]=4 3013 B10R1.4 COCc1cccnc1Br 34a_100138415774_100010140945 [1,1,0,0,0,0|2,0,0]=4 3014 B10R1.4 COCc1cccnc1Br 7a_100000719692_200000210301 [1,1,0,0,0,0|2,0,0]=4 3015 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [1,1,0,0,0,0|1,0,1]=4 3016 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [1,1,0,0,0,0|1,0,1]=4 3017 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [1,1,0,0,0,0|1,0,1]=4 3018 B10R1.4 COCc1cccnc1Cl 34a_100000748726_200000210301 [1,1,0,0,0,0|2,0,0]=4 3019 B10R1.4 COCc1cccnc1Cl 34a_100138415774_100000045678 [1,1,0,0,0,0|2,0,0]=4 3020 B10R1.4 COCc1cccnc1Cl 7a_100000748726_200000210301 [1,1,0,0,0,0|2,0,0]=4 3021 B10R1.4 COCc1cccnc1F 34a_100000079888_200000210301 [1,1,0,0,0,0|2,0,0]=4 3022 B10R1.4 COCc1cccnc1F 34a_100138415774_100000099810 [1,1,0,0,0,0|2,0,0]=4 3023 B10R1.4 COCc1cccnc1F 7a_100000079888_200000210301 [1,1,0,0,0,0|2,0,0]=4 3024 B10R1.4 COCc1ccncc1C 34a_100011997032_200000210301 [1,1,0,0,0,0|1,0,1]=4 3025 B10R1.4 COCc1ccncc1C 34a_100138415774_100020672809 [1,1,0,0,0,0|1,0,1]=4 3026 B10R1.4 COCc1ccncc1F 34a_100012172863_200000210301 [1,1,0,0,0,0|2,0,0]=4 3027 B10R1.4 COCc1cnccc1C 34a_100011996381_200000210301 [1,1,0,0,0,0|1,0,1]=4 3028 B10R1.4 COCc1cnccc1C 34a_100138415774_100000690890 [1,1,0,0,0,0|1,0,1]=4 3029 B10R1.4 COCc1cnccc1Cl 34a_100000117392_200000210301 [1,1,0,0,0,0|2,0,0]=4 3030 B10R1.4 COCc1ncccc1Br 34a_100011996772_200000210301 [1,1,0,0,0,0|2,0,0]=4 3031 B10R1.4 COCc1ncccc1Br 34a_100138415774_100025702911 [1,1,0,0,0,0|2,0,0]=4 3032 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,1,0,0,0,0|1,0,1]=4 3033 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,1,0,0,0,0|1,0,1]=4 3034 B10R1.4 COCc1ncccc1Cl 34a_100012002383_200000210301 [1,1,0,0,0,0|2,0,0]=4 3035 B10R1.4 COCc1ncccc1F 34a_100011934865_200000210301 [1,1,0,0,0,0|2,0,0]=4 3036 B10R1.4 COCc1ncccc1F 34a_100138415774_100000104219 [1,1,0,0,0,0|2,0,0]=4 3037 B10R1.4 COCc1ncccc1N 34a_114873767017_200000210301 [1,1,0,0,0,0|2,0,0]=4 3038 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,1,0,0,0,0|1,0,1]=4 3039 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|1,1,0]=4 3040 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|1,1,0]=4 3041 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|0,1,1]=4 3042 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|0,1,1]=4 3043 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|1,1,0]=4 3044 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|1,1,0]=4 3045 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|1,1,0]=4 3046 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|1,1,0]=4 3047 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|1,1,0]=4 3048 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|1,1,0]=4 3049 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|0,1,1]=4 3050 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|1,0,1]=4 3051 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|0,0,1]=3 3052 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|0,0,1]=3 3053 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|0,1,1]=4 3054 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|0,1,1]=4 3055 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [1,1,0,0,0,0|1,0,1]=4 3056 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,1,0,0,0,0|0,0,1]=3 3057 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,1,0,0,0,0|0,0,1]=3 3058 B10R1.4 Cc1ccccc1SCF 62a_100000210755_100015361967 [1,1,0,0,0,0|0,1,1]=4 3059 B10R1.4 Cc1ccccc1SCF 62a_100015361967_100000210755 [1,1,0,0,0,0|0,1,1]=4 3060 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,1,0,0,0,0|1,0,1]=4 3061 B10R1.4 Cc1ccncc1CO[13CH3] 34a_100011996381_200025704644 [1,1,0,0,0,0|1,0,1]=4 3062 B10R1.4 Cc1ccncc1OCF 34a_100011997053_100015361967 [1,1,0,0,0,0|1,0,1]=4 3063 B10R1.4 Cc1ccncc1OCF 7a_100011997053_100015361967 [1,1,0,0,0,0|1,0,1]=4 3064 B10R1.4 Cc1cnccc1CO[13CH3] 34a_100011997032_200025704644 [1,1,0,0,0,0|1,0,1]=4 3065 B10R1.4 Cc1cnccc1OCF 34a_100000694293_100015361967 [1,1,0,0,0,0|1,0,1]=4 3066 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [1,1,0,0,0,0|1,0,1]=4 3067 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [1,1,0,0,0,0|1,0,1]=4 3068 B10R1.4 Cc1ncccc1OCF 34a_100000745507_100015361967 [1,1,0,0,0,0|1,0,1]=4 3069 B10R1.4 Cc1ncccc1OCF 7a_100000745507_100015361967 [1,1,0,0,0,0|1,0,1]=4 3070 B10R1.4 FCNc1ccccc1Br 34a_100000210017_100015361967 [1,1,0,0,0,0|2,0,0]=4 3071 B10R1.4 FCNc1ccccc1Cl 34a_100000185783_100015361967 [1,1,0,0,0,0|2,0,0]=4 3072 B10R1.4 FCNc1ccccc1F 34a_100000210422_100015361967 [1,1,0,0,0,0|2,0,0]=4 3073 B10R1.4 FCNc1ccccc1I 34a_100000210053_100015361967 [1,1,0,0,0,0|2,0,0]=4 3074 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [1,1,0,0,0,0|1,0,0]=3 3075 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [1,1,0,0,0,0|1,0,0]=3 3076 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [1,1,0,0,0,0|1,0,0]=3 3077 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [1,1,0,0,0,0|1,0,0]=3 3078 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [1,1,0,0,0,0|1,0,0]=3 3079 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [1,1,0,0,0,0|1,0,0]=3 3080 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [1,1,0,0,0,0|1,0,0]=3 3081 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [1,1,0,0,0,0|1,0,0]=3 3082 B10R1.4 FCOc1cccnc1Br 34a_100000744436_100015361967 [1,1,0,0,0,0|2,0,0]=4 3083 B10R1.4 FCOc1cccnc1Br 7a_100000744436_100015361967 [1,1,0,0,0,0|2,0,0]=4 3084 B10R1.4 FCOc1cccnc1Cl 34a_100000757616_100015361967 [1,1,0,0,0,0|2,0,0]=4 3085 B10R1.4 FCOc1cccnc1Cl 7a_100000757616_100015361967 [1,1,0,0,0,0|2,0,0]=4 3086 B10R1.4 FCOc1cccnc1F 34a_100000061740_100015361967 [1,1,0,0,0,0|2,0,0]=4 3087 B10R1.4 FCOc1cccnc1F 7a_100000061740_100015361967 [1,1,0,0,0,0|2,0,0]=4 3088 B10R1.4 FCOc1cccnc1I 34a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 3089 B10R1.4 FCOc1cccnc1I 7a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 3090 B10R1.4 FCOc1ccncc1Br 34a_100011996408_100015361967 [1,1,0,0,0,0|2,0,0]=4 3091 B10R1.4 FCOc1ccncc1Cl 34a_100011997054_100015361967 [1,1,0,0,0,0|2,0,0]=4 3092 B10R1.4 FCOc1ccncc1F 34a_200000081243_100015361967 [1,1,0,0,0,0|2,0,0]=4 3093 B10R1.4 FCOc1cnccc1Cl 34a_100011996695_100015361967 [1,1,0,0,0,0|2,0,0]=4 3094 B10R1.4 FCOc1cnccc1I 34a_100000050107_100015361967 [1,1,0,0,0,0|2,0,0]=4 3095 B10R1.4 FCOc1ncccc1Cl 34a_100011290957_100015361967 [1,1,0,0,0,0|2,0,0]=4 3096 B10R1.4 FCOc1ncccc1F 34a_100011219419_100015361967 [1,1,0,0,0,0|2,0,0]=4 3097 B10R1.4 FCSc1ccccc1Br 62a_100000695589_100015361967 [1,1,0,0,0,0|1,1,0]=4 3098 B10R1.4 FCSc1ccccc1Br 62a_100015361967_100000695589 [1,1,0,0,0,0|1,1,0]=4 3099 B10R1.4 FCSc1ccccc1Cl 62a_100000764095_100015361967 [1,1,0,0,0,0|1,1,0]=4 3100 B10R1.4 FCSc1ccccc1Cl 62a_100015361967_100000764095 [1,1,0,0,0,0|1,1,0]=4 3101 B10R1.4 FCSc1ccccc1F 62a_100011215700_100015361967 [1,1,0,0,0,0|1,1,0]=4 3102 B10R1.4 FCSc1ccccc1F 62a_100015361967_100011215700 [1,1,0,0,0,0|1,1,0]=4 3103 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|1,0,1]=4 3104 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,1]=4 3105 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|1,0,1]=4 3106 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [1,1,0,0,0,0|1,0,0]=3 3107 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [1,1,0,0,0,0|1,0,0]=3 3108 B10R1.4 Nc1ccccc1SCF 62a_100000210017_100015361967 [1,1,0,0,0,0|1,1,0]=4 3109 B10R1.4 Nc1ccccc1SCF 62a_100015361967_100000210017 [1,1,0,0,0,0|1,1,0]=4 3110 B10R1.4 Nc1cccnc1OCF 34a_100000746358_100015361967 [1,1,0,0,0,0|2,0,0]=4 3111 B10R1.4 Nc1ccncc1OCF 34a_100000753702_100015361967 [1,1,0,0,0,0|2,0,0]=4 3112 B10R1.4 Nc1ncccc1OCF 34a_100000211975_100015361967 [1,1,0,0,0,0|2,0,0]=4 3113 B10R1.4 Nc1ncccc1OCF 7a_100000211975_100015361967 [1,1,0,0,0,0|2,0,0]=4 3114 B10R1.4 O=c1cc[nH]cc1SCF 62a_100009998708_100015361967 [1,1,0,0,0,0|1,1,0]=4 3115 B10R1.4 O=c1cc[nH]cc1SCF 62a_100015361967_100009998708 [1,1,0,0,0,0|1,1,0]=4 3116 B10R1.4 O=c1ccocc1OCF 34a_100000060831_100015361967 [1,1,0,0,0,0|1,0,0]=3 3117 B10R1.4 O=c1occcc1OCF 34a_100000077404_100015361967 [1,1,0,0,0,0|1,0,0]=3 3118 B10R1.4 O=c1occcc1OCF 7a_100000077404_100015361967 [1,1,0,0,0,0|1,0,0]=3 3119 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|0,0,2]=4 3120 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,1,0,0,0,0|1,0,1]=4 3121 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,1,0,0,0,0|0,1,1]=4 3122 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,1,0,0,0,0|0,1,1]=4 3123 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 3124 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 3125 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 3126 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 3127 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|2,0,0]=4 3128 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,1]=4 3129 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|1,0,0]=3 3130 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|1,0,0]=3 3131 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|1,0,0]=3 3132 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|1,0,0]=3 3133 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|1,0,0]=3 3134 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|1,0,0]=3 3135 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|1,0,0]=3 3136 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|1,0,0]=3 3137 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,0]=3 3138 B10R1.4 [13CH3]OCc1cccnc1Br 34a_100000719692_200025704644 [1,1,0,0,0,0|2,0,0]=4 3139 B10R1.4 [13CH3]OCc1cccnc1Br 7a_100000719692_200025704644 [1,1,0,0,0,0|2,0,0]=4 3140 B10R1.4 [13CH3]OCc1cccnc1Cl 34a_100000748726_200025704644 [1,1,0,0,0,0|2,0,0]=4 3141 B10R1.4 [13CH3]OCc1cccnc1Cl 7a_100000748726_200025704644 [1,1,0,0,0,0|2,0,0]=4 3142 B10R1.4 [13CH3]OCc1cccnc1F 34a_100000079888_200025704644 [1,1,0,0,0,0|2,0,0]=4 3143 B10R1.4 [13CH3]OCc1cccnc1F 7a_100000079888_200025704644 [1,1,0,0,0,0|2,0,0]=4 3144 B10R1.4 [13CH3]OCc1ccncc1F 34a_100012172863_200025704644 [1,1,0,0,0,0|2,0,0]=4 3145 B10R1.4 [13CH3]OCc1cnccc1Cl 34a_100000117392_200025704644 [1,1,0,0,0,0|2,0,0]=4 3146 B10R1.4 [13CH3]OCc1ncccc1Br 34a_100011996772_200025704644 [1,1,0,0,0,0|2,0,0]=4 3147 B10R1.4 [13CH3]OCc1ncccc1Cl 34a_100012002383_200025704644 [1,1,0,0,0,0|2,0,0]=4 3148 B10R1.4 [13CH3]OCc1ncccc1F 34a_100011934865_200025704644 [1,1,0,0,0,0|2,0,0]=4 3149 B10R1.4 [13CH3]OCc1ncccc1N 34a_114873767017_200025704644 [1,1,0,0,0,0|2,0,0]=4 3150 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|1,1,0]=4 3151 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|1,1,0]=4 3152 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|1,1,0]=4 3153 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|1,1,0]=4 3154 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|1,1,0]=4 3155 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|1,1,0]=4 3156 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|1,1,0]=4 3157 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|1,1,0]=4 3158 B10R1.4 [N-]=[N+]=Nc1ccccc1O 271570a_203496583355_100000762926 [1,1,0,0,0,0|2,0,0]=4 3159 B10R1.4 [O-][n+]1ccccc1OCF 7a_100000211761_100015361967 [1,1,0,0,0,0|1,0,1]=4 3160 B10R1.25 C=Cc1cc[n+](cc1C)[O-] 271570a_100011290941_100000074940 [1,1,0,0,0,0|2,0,0]=4 3161 B10R1.25 C=Cc1ccc(cc1Br)Br 271570a_100011290941_100011484698 [1,1,0,0,0,0|2,0,0]=4 3162 B10R1.25 C=Cc1ccc(cc1Br)C 271570a_100011290941_100009813563 [1,1,0,0,0,0|2,0,0]=4 3163 B10R1.25 C=Cc1ccc(cc1Br)Cl 271570a_100011290941_100011219703 [1,1,0,0,0,0|2,0,0]=4 3164 B10R1.25 C=Cc1ccc(cc1Br)F 271570a_100011290941_100011217111 [1,1,0,0,0,0|2,0,0]=4 3165 B10R1.25 C=Cc1ccc(cc1Br)N 271570a_100011290941_100000750458 [1,1,0,0,0,0|2,0,0]=4 3166 B10R1.25 C=Cc1ccc(cc1Br)O 271570a_100011290941_100000701344 [1,1,0,0,0,0|2,0,0]=4 3167 B10R1.25 C=Cc1ccc(cc1C)Br 271570a_100011290941_100000701812 [1,1,0,0,0,0|1,0,0]=3 3168 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [1,1,0,0,0,0|1,0,0]=3 3169 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [1,1,0,0,0,0|1,0,0]=3 3170 B10R1.25 C=Cc1ccc(cc1C)F 271570a_100011290941_100011205405 [1,1,0,0,0,0|1,0,0]=3 3171 B10R1.25 C=Cc1ccc(cc1C)N 271570a_100011290941_100000210723 [1,1,0,0,0,0|1,0,0]=3 3172 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,1,0,0,0,0|1,0,0]=3 3173 B10R1.25 C=Cc1ccc(cc1Cl)Br 271570a_100011290941_100011216062 [1,1,0,0,0,0|2,0,0]=4 3174 B10R1.25 C=Cc1ccc(cc1Cl)C 271570a_100011290941_100011263221 [1,1,0,0,0,0|2,0,0]=4 3175 B10R1.25 C=Cc1ccc(cc1Cl)Cl 271570a_100011290941_100000699841 [1,1,0,0,0,0|2,0,0]=4 3176 B10R1.25 C=Cc1ccc(cc1Cl)F 271570a_100011290941_100000733362 [1,1,0,0,0,0|2,0,0]=4 3177 B10R1.25 C=Cc1ccc(cc1Cl)N 271570a_100011290941_100000761885 [1,1,0,0,0,0|2,0,0]=4 3178 B10R1.25 C=Cc1ccc(cc1Cl)O 271570a_100011290941_100000047559 [1,1,0,0,0,0|2,0,0]=4 3179 B10R1.25 C=Cc1ccc(cc1F)Br 271570a_100011290941_100009814013 [1,1,0,0,0,0|2,0,0]=4 3180 B10R1.25 C=Cc1ccc(cc1F)C 271570a_100011290941_100011216119 [1,1,0,0,0,0|2,0,0]=4 3181 B10R1.25 C=Cc1ccc(cc1F)Cl 271570a_100011290941_100011216042 [1,1,0,0,0,0|2,0,0]=4 3182 B10R1.25 C=Cc1ccc(cc1F)F 271570a_100011290941_100000750030 [1,1,0,0,0,0|2,0,0]=4 3183 B10R1.25 C=Cc1ccc(cc1F)N 271570a_100011290941_100011356925 [1,1,0,0,0,0|2,0,0]=4 3184 B10R1.25 C=Cc1ccc(cc1F)O 271570a_100011290941_100000755031 [1,1,0,0,0,0|2,0,0]=4 3185 B10R1.25 C=Cc1ccc(cc1N)Br 271570a_100011290941_100000743836 [1,1,0,0,0,0|2,0,0]=4 3186 B10R1.25 C=Cc1ccc(cc1N)C 271570a_100011290941_100011216686 [1,1,0,0,0,0|2,0,0]=4 3187 B10R1.25 C=Cc1ccc(cc1N)Cl 271570a_100011290941_100000761886 [1,1,0,0,0,0|2,0,0]=4 3188 B10R1.25 C=Cc1ccc(cc1N)F 271570a_100011290941_100011218093 [1,1,0,0,0,0|2,0,0]=4 3189 B10R1.25 C=Cc1ccc(cc1N)N 271570a_100011290941_200012175722 [1,1,0,0,0,0|2,0,0]=4 3190 B10R1.25 C=Cc1ccc(cc1N)O 271570a_100011290941_100011999798 [1,1,0,0,0,0|2,0,0]=4 3191 B10R1.25 C=Cc1ccc(cc1O)Br 271570a_100011290941_100012344904 [1,1,0,0,0,0|1,0,0]=3 3192 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [1,1,0,0,0,0|1,0,0]=3 3193 B10R1.25 C=Cc1ccc(cc1O)Cl 271570a_100011290941_100000050036 [1,1,0,0,0,0|1,0,0]=3 3194 B10R1.25 C=Cc1ccc(cc1O)F 271570a_100011290941_100000690578 [1,1,0,0,0,0|1,0,0]=3 3195 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,1,0,0,0,0|1,0,0]=3 3196 B10R1.25 C=Cc1ccc(nc1C)C 271570a_100011290941_100009813853 [1,1,0,0,0,0|2,0,0]=4 3197 B10R1.25 C=Cc1ccc(nc1C)Cl 271570a_100011290941_100000062408 [1,1,0,0,0,0|2,0,0]=4 3198 B10R1.25 C=Cc1ccc(nc1C)F 271570a_100011290941_100000688911 [1,1,0,0,0,0|2,0,0]=4 3199 B10R1.25 C=Cc1ccc(nc1C)N 271570a_100011290941_100000013003 [1,1,0,0,0,0|2,0,0]=4 3200 B10R1.25 C=Cc1ccc(nc1C)O 271570a_100011290941_100000691680 [1,1,0,0,0,0|2,0,0]=4 3201 B10R1.25 C=Cc1ccc(nc1O)C 271570a_100011290941_100009817604 [1,1,0,0,0,0|2,0,0]=4 3202 B10R1.25 C=Cc1cnc(cc1C)Br 271570a_100011290941_100009816104 [1,1,0,0,0,0|2,0,0]=4 3203 B10R1.25 C=Cc1cnc(cc1C)C 271570a_100011290941_100009819613 [1,1,0,0,0,0|2,0,0]=4 3204 B10R1.25 C=Cc1cnc(cc1C)Cl 271570a_100011290941_100010172789 [1,1,0,0,0,0|2,0,0]=4 3205 B10R1.25 C=Cc1cnc(cc1C)F 271570a_100011290941_100009820716 [1,1,0,0,0,0|2,0,0]=4 3206 B10R1.25 C=Cc1cnc(cc1C)N 271570a_100011290941_100000050067 [1,1,0,0,0,0|2,0,0]=4 3207 B10R1.25 C=Cc1cnc(cc1C)O 271570a_100011290941_100010114363 [1,1,0,0,0,0|2,0,0]=4 3208 B10R1.25 C=Cc1cnc(cc1O)C 271570a_100011290941_100011016184 [1,1,0,0,0,0|2,0,0]=4 3209 B10R1.25 C=Cc1ncc(cc1C)Br 271570a_100011290941_100012353652 [1,1,0,0,0,0|2,0,0]=4 3210 B10R1.25 C=Cc1ncc(cc1C)C 271570a_100011290941_100009864548 [1,1,0,0,0,0|2,0,0]=4 3211 B10R1.25 C=Cc1ncc(cc1C)F 271570a_100011290941_100009817009 [1,1,0,0,0,0|2,0,0]=4 3212 B10R1.25 C=Cc1ncc(cc1C)N 271570a_100011290941_100000761747 [1,1,0,0,0,0|2,0,0]=4 3213 B10R1.25 C=Cc1ncc(cc1C)O 271570a_100011290941_100012000486 [1,1,0,0,0,0|2,0,0]=4 3214 B10R1.25 C=Cc1ncc(cc1O)Br 271570a_100011290941_100010210634 [1,1,0,0,0,0|2,0,0]=4 3215 B10R1.25 C=Cc1ncc(cc1O)C 271570a_100011290941_100012000487 [1,1,0,0,0,0|2,0,0]=4 3216 B10R1.25 C=Cc1ncc(cc1O)Cl 271570a_100011290941_100010233512 [1,1,0,0,0,0|2,0,0]=4 3217 B10R1.25 C=Cc1ncc(cc1O)F 271570a_100011290941_100000079967 [1,1,0,0,0,0|2,0,0]=4 3218 B10R1.25 CCc1ccc(cc1F)O 271570a_203496583355_200010071577 [1,1,0,0,0,0|2,0,0]=4 3219 B10R1.25 CCc1ccc(cc1N)O 271570a_203496583355_100012354963 [1,1,0,0,0,0|2,0,0]=4 3220 B10R1.25 CNc1ccc(cc1Br)Br 34a_100000211012_200000210301 [1,1,0,0,0,0|2,0,0]=4 3221 B10R1.25 CNc1ccc(cc1Br)C 34a_100000210942_200000210301 [1,1,0,0,0,0|2,0,0]=4 3222 B10R1.25 CNc1ccc(cc1Br)Cl 34a_100000752454_200000210301 [1,1,0,0,0,0|2,0,0]=4 3223 B10R1.25 CNc1ccc(cc1Br)F 34a_100000738039_200000210301 [1,1,0,0,0,0|2,0,0]=4 3224 B10R1.25 CNc1ccc(cc1Br)O 34a_100012001276_200000210301 [1,1,0,0,0,0|2,0,0]=4 3225 B10R1.25 CNc1ccc(cc1C)Br 34a_100000211769_200000210301 [1,1,0,0,0,0|1,0,1]=4 3226 B10R1.25 CNc1ccc(cc1C)Br 7a_100000211769_200000210301 [1,1,0,0,0,0|1,0,1]=4 3227 B10R1.25 CNc1ccc(cc1C)C 34a_100000736561_200000210301 [1,1,0,0,0,0|1,0,1]=4 3228 B10R1.25 CNc1ccc(cc1C)C 7a_100000736561_200000210301 [1,1,0,0,0,0|1,0,1]=4 3229 B10R1.25 CNc1ccc(cc1C)Cl 34a_100000210418_200000210301 [1,1,0,0,0,0|1,0,1]=4 3230 B10R1.25 CNc1ccc(cc1C)Cl 7a_100000210418_200000210301 [1,1,0,0,0,0|1,0,1]=4 3231 B10R1.25 CNc1ccc(cc1C)F 34a_100000211637_200000210301 [1,1,0,0,0,0|1,0,1]=4 3232 B10R1.25 CNc1ccc(cc1C)F 7a_100000211637_200000210301 [1,1,0,0,0,0|1,0,1]=4 3233 B10R1.25 CNc1ccc(cc1C)I 34a_100000184554_200000210301 [1,1,0,0,0,0|1,0,1]=4 3234 B10R1.25 CNc1ccc(cc1C)I 7a_100000184554_200000210301 [1,1,0,0,0,0|1,0,1]=4 3235 B10R1.25 CNc1ccc(cc1C)O 271570a_203496583355_100000221803 [1,1,0,0,0,0|1,0,1]=4 3236 B10R1.25 CNc1ccc(cc1C)O 34a_100000756630_200000210301 [1,1,0,0,0,0|1,0,1]=4 3237 B10R1.25 CNc1ccc(cc1Cl)Br 34a_100000211467_200000210301 [1,1,0,0,0,0|2,0,0]=4 3238 B10R1.25 CNc1ccc(cc1Cl)C 34a_100000210522_200000210301 [1,1,0,0,0,0|2,0,0]=4 3239 B10R1.25 CNc1ccc(cc1Cl)Cl 34a_100000185861_200000210301 [1,1,0,0,0,0|2,0,0]=4 3240 B10R1.25 CNc1ccc(cc1Cl)F 34a_100000212003_200000210301 [1,1,0,0,0,0|2,0,0]=4 3241 B10R1.25 CNc1ccc(cc1Cl)I 34a_100011218065_200000210301 [1,1,0,0,0,0|2,0,0]=4 3242 B10R1.25 CNc1ccc(cc1Cl)O 34a_100011215599_200000210301 [1,1,0,0,0,0|2,0,0]=4 3243 B10R1.25 CNc1ccc(cc1F)Br 34a_100000210722_200000210301 [1,1,0,0,0,0|2,0,0]=4 3244 B10R1.25 CNc1ccc(cc1F)C 34a_100000211023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3245 B10R1.25 CNc1ccc(cc1F)Cl 34a_100000211020_200000210301 [1,1,0,0,0,0|2,0,0]=4 3246 B10R1.25 CNc1ccc(cc1F)F 34a_100000210720_200000210301 [1,1,0,0,0,0|2,0,0]=4 3247 B10R1.25 CNc1ccc(cc1F)I 34a_100011215594_200000210301 [1,1,0,0,0,0|2,0,0]=4 3248 B10R1.25 CNc1ccc(cc1F)O 271570a_203496583355_100000743884 [1,1,0,0,0,0|2,0,0]=4 3249 B10R1.25 CNc1ccc(cc1F)O 34a_100000759473_200000210301 [1,1,0,0,0,0|2,0,0]=4 3250 B10R1.25 CNc1ccc(cc1I)Br 34a_100000187925_200000210301 [1,1,0,0,0,0|2,0,0]=4 3251 B10R1.25 CNc1ccc(cc1I)C 34a_100011356834_200000210301 [1,1,0,0,0,0|2,0,0]=4 3252 B10R1.25 CNc1ccc(cc1I)Cl 34a_100000761889_200000210301 [1,1,0,0,0,0|2,0,0]=4 3253 B10R1.25 CNc1ccc(cc1I)F 34a_100000760547_200000210301 [1,1,0,0,0,0|2,0,0]=4 3254 B10R1.25 CNc1ccc(cc1I)O 34a_100010084370_200000210301 [1,1,0,0,0,0|2,0,0]=4 3255 B10R1.25 CNc1ccc(cc1N)O 271570a_203496583355_100000741790 [1,1,0,0,0,0|2,0,0]=4 3256 B10R1.25 CNc1ccc(cc1O)Br 34a_100000739049_200000210301 [1,1,0,0,0,0|1,0,1]=4 3257 B10R1.25 CNc1ccc(cc1O)C 271570a_203496583355_100000221369 [1,1,0,0,0,0|1,0,1]=4 3258 B10R1.25 CNc1ccc(cc1O)C 34a_100000211527_200000210301 [1,1,0,0,0,0|1,0,1]=4 3259 B10R1.25 CNc1ccc(cc1O)Cl 34a_100000185728_200000210301 [1,1,0,0,0,0|1,0,1]=4 3260 B10R1.25 CNc1ccc(cc1O)F 271570a_203496583355_100011246292 [1,1,0,0,0,0|1,0,1]=4 3261 B10R1.25 CNc1ccc(cc1O)F 34a_100000753323_200000210301 [1,1,0,0,0,0|1,0,1]=4 3262 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,1,0,0,0,0|1,0,1]=4 3263 B10R1.25 COc1c[nH]c(=O)cc1O 271570a_203496583355_100121573661 [1,1,0,0,0,0|1,0,1]=4 3264 B10R1.25 COc1ccc(cc1Br)Br 34a_100000188717_200000210301 [1,1,0,0,0,0|1,0,0]=3 3265 B10R1.25 COc1ccc(cc1Br)Br 7a_100000188717_200000210301 [1,1,0,0,0,0|1,0,0]=3 3266 B10R1.25 COc1ccc(cc1Br)C 34a_100000210800_200000210301 [1,1,0,0,0,0|1,0,0]=3 3267 B10R1.25 COc1ccc(cc1Br)C 7a_100000210800_200000210301 [1,1,0,0,0,0|1,0,0]=3 3268 B10R1.25 COc1ccc(cc1Br)Cl 34a_100000211998_200000210301 [1,1,0,0,0,0|1,0,0]=3 3269 B10R1.25 COc1ccc(cc1Br)Cl 7a_100000211998_200000210301 [1,1,0,0,0,0|1,0,0]=3 3270 B10R1.25 COc1ccc(cc1Br)F 34a_100000211999_200000210301 [1,1,0,0,0,0|1,0,0]=3 3271 B10R1.25 COc1ccc(cc1Br)F 7a_100000211999_200000210301 [1,1,0,0,0,0|1,0,0]=3 3272 B10R1.25 COc1ccc(cc1Br)I 34a_100012361655_200000210301 [1,1,0,0,0,0|1,0,0]=3 3273 B10R1.25 COc1ccc(cc1Br)I 7a_100012361655_200000210301 [1,1,0,0,0,0|1,0,0]=3 3274 B10R1.25 COc1ccc(cc1Br)N 34a_100011534360_200000210301 [1,1,0,0,0,0|1,0,0]=3 3275 B10R1.25 COc1ccc(cc1Br)N 7a_100011534360_200000210301 [1,1,0,0,0,0|1,0,0]=3 3276 B10R1.25 COc1ccc(cc1Br)O 271570a_203496583355_100011249507 [1,1,0,0,0,0|1,0,0]=3 3277 B10R1.25 COc1ccc(cc1C)Br 34a_100000186361_200000210301 [1,1,0,0,0,0|0,0,1]=3 3278 B10R1.25 COc1ccc(cc1C)Br 7a_100000186361_200000210301 [1,1,0,0,0,0|0,0,1]=3 3279 B10R1.25 COc1ccc(cc1C)C 34a_100000211776_200000210301 [1,1,0,0,0,0|0,0,1]=3 3280 B10R1.25 COc1ccc(cc1C)C 7a_100000211776_200000210301 [1,1,0,0,0,0|0,0,1]=3 3281 B10R1.25 COc1ccc(cc1C)Cl 34a_100000211091_200000210301 [1,1,0,0,0,0|0,0,1]=3 3282 B10R1.25 COc1ccc(cc1C)Cl 7a_100000211091_200000210301 [1,1,0,0,0,0|0,0,1]=3 3283 B10R1.25 COc1ccc(cc1C)F 34a_100000764316_200000210301 [1,1,0,0,0,0|0,0,1]=3 3284 B10R1.25 COc1ccc(cc1C)F 7a_100000764316_200000210301 [1,1,0,0,0,0|0,0,1]=3 3285 B10R1.25 COc1ccc(cc1C)I 34a_100011218673_200000210301 [1,1,0,0,0,0|0,0,1]=3 3286 B10R1.25 COc1ccc(cc1C)I 7a_100011218673_200000210301 [1,1,0,0,0,0|0,0,1]=3 3287 B10R1.25 COc1ccc(cc1C)N 34a_100011218179_200000210301 [1,1,0,0,0,0|0,0,1]=3 3288 B10R1.25 COc1ccc(cc1C)N 7a_100011218179_200000210301 [1,1,0,0,0,0|0,0,1]=3 3289 B10R1.25 COc1ccc(cc1C)O 271570a_203496583355_100011219705 [1,1,0,0,0,0|0,0,1]=3 3290 B10R1.25 COc1ccc(cc1Cl)Br 34a_100000186472_200000210301 [1,1,0,0,0,0|1,0,0]=3 3291 B10R1.25 COc1ccc(cc1Cl)Br 7a_100000186472_200000210301 [1,1,0,0,0,0|1,0,0]=3 3292 B10R1.25 COc1ccc(cc1Cl)C 34a_100000749699_200000210301 [1,1,0,0,0,0|1,0,0]=3 3293 B10R1.25 COc1ccc(cc1Cl)C 7a_100000749699_200000210301 [1,1,0,0,0,0|1,0,0]=3 3294 B10R1.25 COc1ccc(cc1Cl)Cl 34a_100015191787_200000210301 [1,1,0,0,0,0|1,0,0]=3 3295 B10R1.25 COc1ccc(cc1Cl)Cl 7a_100015191787_200000210301 [1,1,0,0,0,0|1,0,0]=3 3296 B10R1.25 COc1ccc(cc1Cl)F 34a_100000212004_200000210301 [1,1,0,0,0,0|1,0,0]=3 3297 B10R1.25 COc1ccc(cc1Cl)F 7a_100000212004_200000210301 [1,1,0,0,0,0|1,0,0]=3 3298 B10R1.25 COc1ccc(cc1Cl)I 34a_100012360047_200000210301 [1,1,0,0,0,0|1,0,0]=3 3299 B10R1.25 COc1ccc(cc1Cl)I 7a_100012360047_200000210301 [1,1,0,0,0,0|1,0,0]=3 3300 B10R1.25 COc1ccc(cc1Cl)N 34a_100000744943_200000210301 [1,1,0,0,0,0|1,0,0]=3 3301 B10R1.25 COc1ccc(cc1Cl)N 7a_100000744943_200000210301 [1,1,0,0,0,0|1,0,0]=3 3302 B10R1.25 COc1ccc(cc1Cl)O 271570a_203496583355_100012355395 [1,1,0,0,0,0|1,0,0]=3 3303 B10R1.25 COc1ccc(cc1F)Br 34a_100000185481_200000210301 [1,1,0,0,0,0|1,0,0]=3 3304 B10R1.25 COc1ccc(cc1F)Br 7a_100000185481_200000210301 [1,1,0,0,0,0|1,0,0]=3 3305 B10R1.25 COc1ccc(cc1F)C 34a_100011216688_200000210301 [1,1,0,0,0,0|1,0,0]=3 3306 B10R1.25 COc1ccc(cc1F)C 7a_100011216688_200000210301 [1,1,0,0,0,0|1,0,0]=3 3307 B10R1.25 COc1ccc(cc1F)Cl 34a_100000230166_200000210301 [1,1,0,0,0,0|1,0,0]=3 3308 B10R1.25 COc1ccc(cc1F)Cl 7a_100000230166_200000210301 [1,1,0,0,0,0|1,0,0]=3 3309 B10R1.25 COc1ccc(cc1F)F 34a_100000230127_200000210301 [1,1,0,0,0,0|1,0,0]=3 3310 B10R1.25 COc1ccc(cc1F)F 7a_100000230127_200000210301 [1,1,0,0,0,0|1,0,0]=3 3311 B10R1.25 COc1ccc(cc1F)I 34a_100011356965_200000210301 [1,1,0,0,0,0|1,0,0]=3 3312 B10R1.25 COc1ccc(cc1F)I 7a_100011356965_200000210301 [1,1,0,0,0,0|1,0,0]=3 3313 B10R1.25 COc1ccc(cc1F)N 34a_100011220035_200000210301 [1,1,0,0,0,0|1,0,0]=3 3314 B10R1.25 COc1ccc(cc1F)N 7a_100011220035_200000210301 [1,1,0,0,0,0|1,0,0]=3 3315 B10R1.25 COc1ccc(cc1F)O 271570a_203496583355_100000185480 [1,1,0,0,0,0|1,0,0]=3 3316 B10R1.25 COc1ccc(cc1I)Br 34a_100012355227_200000210301 [1,1,0,0,0,0|1,0,0]=3 3317 B10R1.25 COc1ccc(cc1I)Br 7a_100012355227_200000210301 [1,1,0,0,0,0|1,0,0]=3 3318 B10R1.25 COc1ccc(cc1I)C 34a_100000765521_200000210301 [1,1,0,0,0,0|1,0,0]=3 3319 B10R1.25 COc1ccc(cc1I)C 7a_100000765521_200000210301 [1,1,0,0,0,0|1,0,0]=3 3320 B10R1.25 COc1ccc(cc1I)Cl 34a_100011356953_200000210301 [1,1,0,0,0,0|1,0,0]=3 3321 B10R1.25 COc1ccc(cc1I)Cl 7a_100011356953_200000210301 [1,1,0,0,0,0|1,0,0]=3 3322 B10R1.25 COc1ccc(cc1I)F 34a_100012355409_200000210301 [1,1,0,0,0,0|1,0,0]=3 3323 B10R1.25 COc1ccc(cc1I)F 7a_100012355409_200000210301 [1,1,0,0,0,0|1,0,0]=3 3324 B10R1.25 COc1ccc(cc1I)I 7a_100010001573_200000210301 [1,1,0,0,0,0|1,0,0]=3 3325 B10R1.25 COc1ccc(cc1N)Br 34a_100000752626_200000210301 [1,1,0,0,0,0|1,0,0]=3 3326 B10R1.25 COc1ccc(cc1N)Br 7a_100000752626_200000210301 [1,1,0,0,0,0|1,0,0]=3 3327 B10R1.25 COc1ccc(cc1N)C 34a_100011215204_200000210301 [1,1,0,0,0,0|1,0,0]=3 3328 B10R1.25 COc1ccc(cc1N)C 7a_100011215204_200000210301 [1,1,0,0,0,0|1,0,0]=3 3329 B10R1.25 COc1ccc(cc1N)Cl 34a_100000210500_200000210301 [1,1,0,0,0,0|1,0,0]=3 3330 B10R1.25 COc1ccc(cc1N)Cl 7a_100000210500_200000210301 [1,1,0,0,0,0|1,0,0]=3 3331 B10R1.25 COc1ccc(cc1N)F 34a_100000759472_200000210301 [1,1,0,0,0,0|1,0,0]=3 3332 B10R1.25 COc1ccc(cc1N)F 7a_100000759472_200000210301 [1,1,0,0,0,0|1,0,0]=3 3333 B10R1.25 COc1ccc(cc1N)I 34a_100000753495_200000210301 [1,1,0,0,0,0|1,0,0]=3 3334 B10R1.25 COc1ccc(cc1N)I 7a_100000753495_200000210301 [1,1,0,0,0,0|1,0,0]=3 3335 B10R1.25 COc1ccc(cc1N)N 34a_100000725306_200000210301 [1,1,0,0,0,0|1,0,0]=3 3336 B10R1.25 COc1ccc(cc1N)O 271570a_203496583355_100000743470 [1,1,0,0,0,0|1,0,0]=3 3337 B10R1.25 COc1ccc(cc1O)Br 271570a_203496583355_100012351588 [1,1,0,0,0,0|0,0,1]=3 3338 B10R1.25 COc1ccc(cc1O)C 271570a_203496583355_100000186399 [1,1,0,0,0,0|0,0,1]=3 3339 B10R1.25 COc1ccc(cc1O)Cl 271570a_203496583355_100011215930 [1,1,0,0,0,0|0,0,1]=3 3340 B10R1.25 COc1ccc(cc1O)F 271570a_203496583355_100000171694 [1,1,0,0,0,0|0,0,1]=3 3341 B10R1.25 COc1ccc(cc1O)N 271570a_203496583355_100000187427 [1,1,0,0,0,0|0,0,1]=3 3342 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,1,0,0,0,0|0,0,1]=3 3343 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,1,0,0,0,0|0,0,1]=3 3344 B10R1.25 COc1ccc(nc1Br)Br 34a_100009999766_200000210301 [1,1,0,0,0,0|2,0,0]=4 3345 B10R1.25 COc1ccc(nc1Br)Br 7a_100009999766_200000210301 [1,1,0,0,0,0|2,0,0]=4 3346 B10R1.25 COc1ccc(nc1Br)C 34a_100000702858_200000210301 [1,1,0,0,0,0|2,0,0]=4 3347 B10R1.25 COc1ccc(nc1Br)C 7a_100000702858_200000210301 [1,1,0,0,0,0|2,0,0]=4 3348 B10R1.25 COc1ccc(nc1Br)Cl 34a_100010219353_200000210301 [1,1,0,0,0,0|2,0,0]=4 3349 B10R1.25 COc1ccc(nc1Br)Cl 7a_100010219353_200000210301 [1,1,0,0,0,0|2,0,0]=4 3350 B10R1.25 COc1ccc(nc1Br)F 34a_100009887730_200000210301 [1,1,0,0,0,0|2,0,0]=4 3351 B10R1.25 COc1ccc(nc1Br)F 7a_100009887730_200000210301 [1,1,0,0,0,0|2,0,0]=4 3352 B10R1.25 COc1ccc(nc1Br)I 34a_100000725334_200000210301 [1,1,0,0,0,0|2,0,0]=4 3353 B10R1.25 COc1ccc(nc1Br)I 7a_100000725334_200000210301 [1,1,0,0,0,0|2,0,0]=4 3354 B10R1.25 COc1ccc(nc1Br)O 271570a_203496583355_100010214827 [1,1,0,0,0,0|2,0,0]=4 3355 B10R1.25 COc1ccc(nc1C)Br 34a_100012002022_200000210301 [1,1,0,0,0,0|1,0,1]=4 3356 B10R1.25 COc1ccc(nc1C)Br 7a_100012002022_200000210301 [1,1,0,0,0,0|1,0,1]=4 3357 B10R1.25 COc1ccc(nc1C)C 34a_100011218912_200000210301 [1,1,0,0,0,0|1,0,1]=4 3358 B10R1.25 COc1ccc(nc1C)C 7a_100011218912_200000210301 [1,1,0,0,0,0|1,0,1]=4 3359 B10R1.25 COc1ccc(nc1C)Cl 34a_100012184626_200000210301 [1,1,0,0,0,0|1,0,1]=4 3360 B10R1.25 COc1ccc(nc1C)Cl 7a_100012184626_200000210301 [1,1,0,0,0,0|1,0,1]=4 3361 B10R1.25 COc1ccc(nc1C)F 34a_100009881036_200000210301 [1,1,0,0,0,0|1,0,1]=4 3362 B10R1.25 COc1ccc(nc1C)F 7a_100009881036_200000210301 [1,1,0,0,0,0|1,0,1]=4 3363 B10R1.25 COc1ccc(nc1C)I 34a_100010233687_200000210301 [1,1,0,0,0,0|1,0,1]=4 3364 B10R1.25 COc1ccc(nc1C)I 7a_100010233687_200000210301 [1,1,0,0,0,0|1,0,1]=4 3365 B10R1.25 COc1ccc(nc1C)O 271570a_203496583355_100010244750 [1,1,0,0,0,0|1,0,1]=4 3366 B10R1.25 COc1ccc(nc1Cl)Br 34a_100010246206_200000210301 [1,1,0,0,0,0|2,0,0]=4 3367 B10R1.25 COc1ccc(nc1Cl)Br 7a_100010246206_200000210301 [1,1,0,0,0,0|2,0,0]=4 3368 B10R1.25 COc1ccc(nc1Cl)C 34a_100000086286_200000210301 [1,1,0,0,0,0|2,0,0]=4 3369 B10R1.25 COc1ccc(nc1Cl)C 7a_100000086286_200000210301 [1,1,0,0,0,0|2,0,0]=4 3370 B10R1.25 COc1ccc(nc1Cl)Cl 34a_100000101165_200000210301 [1,1,0,0,0,0|2,0,0]=4 3371 B10R1.25 COc1ccc(nc1Cl)Cl 7a_100000101165_200000210301 [1,1,0,0,0,0|2,0,0]=4 3372 B10R1.25 COc1ccc(nc1Cl)I 34a_100000721234_200000210301 [1,1,0,0,0,0|2,0,0]=4 3373 B10R1.25 COc1ccc(nc1Cl)I 7a_100000721234_200000210301 [1,1,0,0,0,0|2,0,0]=4 3374 B10R1.25 COc1ccc(nc1Cl)O 271570a_203496583355_100010233546 [1,1,0,0,0,0|2,0,0]=4 3375 B10R1.25 COc1ccc(nc1F)Br 34a_100009819667_200000210301 [1,1,0,0,0,0|2,0,0]=4 3376 B10R1.25 COc1ccc(nc1F)Br 7a_100009819667_200000210301 [1,1,0,0,0,0|2,0,0]=4 3377 B10R1.25 COc1ccc(nc1F)C 34a_100000079963_200000210301 [1,1,0,0,0,0|2,0,0]=4 3378 B10R1.25 COc1ccc(nc1F)C 7a_100000079963_200000210301 [1,1,0,0,0,0|2,0,0]=4 3379 B10R1.25 COc1ccc(nc1F)Cl 34a_100009880201_200000210301 [1,1,0,0,0,0|2,0,0]=4 3380 B10R1.25 COc1ccc(nc1F)Cl 7a_100009880201_200000210301 [1,1,0,0,0,0|2,0,0]=4 3381 B10R1.25 COc1ccc(nc1F)F 34a_100000101184_200000210301 [1,1,0,0,0,0|2,0,0]=4 3382 B10R1.25 COc1ccc(nc1F)F 7a_100000101184_200000210301 [1,1,0,0,0,0|2,0,0]=4 3383 B10R1.25 COc1ccc(nc1F)O 271570a_203496583355_100010138636 [1,1,0,0,0,0|2,0,0]=4 3384 B10R1.25 COc1ccc(nc1I)Br 34a_100010253912_200000210301 [1,1,0,0,0,0|2,0,0]=4 3385 B10R1.25 COc1ccc(nc1I)Br 7a_100010253912_200000210301 [1,1,0,0,0,0|2,0,0]=4 3386 B10R1.25 COc1ccc(nc1I)C 34a_100000023897_200000210301 [1,1,0,0,0,0|2,0,0]=4 3387 B10R1.25 COc1ccc(nc1I)C 7a_100000023897_200000210301 [1,1,0,0,0,0|2,0,0]=4 3388 B10R1.25 COc1ccc(nc1I)Cl 34a_100000696390_200000210301 [1,1,0,0,0,0|2,0,0]=4 3389 B10R1.25 COc1ccc(nc1I)Cl 7a_100000696390_200000210301 [1,1,0,0,0,0|2,0,0]=4 3390 B10R1.25 COc1ccc(nc1I)F 34a_100010382442_200000210301 [1,1,0,0,0,0|2,0,0]=4 3391 B10R1.25 COc1ccc(nc1I)F 7a_100010382442_200000210301 [1,1,0,0,0,0|2,0,0]=4 3392 B10R1.25 COc1ccc(nc1N)Br 34a_100000685527_200000210301 [1,1,0,0,0,0|2,0,0]=4 3393 B10R1.25 COc1ccc(nc1N)Br 7a_100000685527_200000210301 [1,1,0,0,0,0|2,0,0]=4 3394 B10R1.25 COc1ccc(nc1N)C 34a_100000694039_200000210301 [1,1,0,0,0,0|2,0,0]=4 3395 B10R1.25 COc1ccc(nc1N)C 7a_100000694039_200000210301 [1,1,0,0,0,0|2,0,0]=4 3396 B10R1.25 COc1ccc(nc1N)Cl 34a_100000717809_200000210301 [1,1,0,0,0,0|2,0,0]=4 3397 B10R1.25 COc1ccc(nc1N)Cl 7a_100000717809_200000210301 [1,1,0,0,0,0|2,0,0]=4 3398 B10R1.25 COc1ccc(nc1N)O 271570a_203496583355_100010192976 [1,1,0,0,0,0|2,0,0]=4 3399 B10R1.25 COc1ccc(nc1O)C 271570a_203496583355_100009820875 [1,1,0,0,0,0|1,0,1]=4 3400 B10R1.25 COc1ccc(nc1O)N 271570a_203496583355_100010172607 [1,1,0,0,0,0|1,0,1]=4 3401 B10R1.25 COc1cnc(cc1Br)C 34a_100009843476_200000210301 [1,1,0,0,0,0|2,0,0]=4 3402 B10R1.25 COc1cnc(cc1Br)C 7a_100009843476_200000210301 [1,1,0,0,0,0|2,0,0]=4 3403 B10R1.25 COc1cnc(cc1C)C 34a_200000068632_200000210301 [1,1,0,0,0,0|1,0,1]=4 3404 B10R1.25 COc1cnc(cc1C)C 7a_200000068632_200000210301 [1,1,0,0,0,0|1,0,1]=4 3405 B10R1.25 COc1cnc(cc1C)Cl 34a_100000692680_200000210301 [1,1,0,0,0,0|1,0,1]=4 3406 B10R1.25 COc1cnc(cc1C)Cl 7a_100000692680_200000210301 [1,1,0,0,0,0|1,0,1]=4 3407 B10R1.25 COc1cnc(cc1C)F 34a_100009856773_200000210301 [1,1,0,0,0,0|1,0,1]=4 3408 B10R1.25 COc1cnc(cc1C)F 7a_100009856773_200000210301 [1,1,0,0,0,0|1,0,1]=4 3409 B10R1.25 COc1cnc(cc1Cl)Cl 34a_100009868576_200000210301 [1,1,0,0,0,0|2,0,0]=4 3410 B10R1.25 COc1cnc(cc1Cl)Cl 7a_100009868576_200000210301 [1,1,0,0,0,0|2,0,0]=4 3411 B10R1.25 COc1cnc(cc1F)F 34a_100009885687_200000210301 [1,1,0,0,0,0|2,0,0]=4 3412 B10R1.25 COc1cnc(cc1F)F 7a_100009885687_200000210301 [1,1,0,0,0,0|2,0,0]=4 3413 B10R1.25 COc1cnc(cc1I)Cl 34a_100000698892_200000210301 [1,1,0,0,0,0|2,0,0]=4 3414 B10R1.25 COc1cnc(cc1I)Cl 7a_100000698892_200000210301 [1,1,0,0,0,0|2,0,0]=4 3415 B10R1.25 COc1cnc(cc1N)Br 34a_100009819941_200000210301 [1,1,0,0,0,0|2,0,0]=4 3416 B10R1.25 COc1cnc(cc1N)Br 7a_100009819941_200000210301 [1,1,0,0,0,0|2,0,0]=4 3417 B10R1.25 COc1cnc(cc1N)O 271570a_203496583355_100010896307 [1,1,0,0,0,0|2,0,0]=4 3418 B10R1.25 COc1cnc(cc1O)C 271570a_203496583355_100010109759 [1,1,0,0,0,0|1,0,1]=4 3419 B10R1.25 COc1cnc(cc1O)O 271570a_203496583355_100010264082 [1,1,0,0,0,0|1,0,1]=4 3420 B10R1.25 COc1coc(cc1=O)C 34a_100000081520_200000210301 [1,1,0,0,0,0|1,0,0]=3 3421 B10R1.25 COc1ncc(cc1Br)Br 34a_100000701035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3422 B10R1.25 COc1ncc(cc1Br)C 34a_100000719714_200000210301 [1,1,0,0,0,0|2,0,0]=4 3423 B10R1.25 COc1ncc(cc1Br)O 271570a_203496583355_200010988584 [1,1,0,0,0,0|2,0,0]=4 3424 B10R1.25 COc1ncc(cc1C)Br 34a_100000685391_200000210301 [1,1,0,0,0,0|1,0,1]=4 3425 B10R1.25 COc1ncc(cc1C)O 271570a_203496583355_100011290809 [1,1,0,0,0,0|1,0,1]=4 3426 B10R1.25 COc1ncc(cc1Cl)Br 34a_100012339560_200000210301 [1,1,0,0,0,0|2,0,0]=4 3427 B10R1.25 COc1ncc(cc1Cl)F 34a_100009847679_200000210301 [1,1,0,0,0,0|2,0,0]=4 3428 B10R1.25 COc1ncc(cc1F)Cl 34a_100011998252_200000210301 [1,1,0,0,0,0|2,0,0]=4 3429 B10R1.25 COc1ncc(cc1F)F 34a_100012025737_200000210301 [1,1,0,0,0,0|2,0,0]=4 3430 B10R1.25 COc1ncc(cc1F)O 271570a_203496583355_100011880707 [1,1,0,0,0,0|2,0,0]=4 3431 B10R1.25 COc1ncc(cc1N)Br 34a_100000743729_200000210301 [1,1,0,0,0,0|2,0,0]=4 3432 B10R1.25 COc1ncc(cc1N)C 34a_100012000488_200000210301 [1,1,0,0,0,0|2,0,0]=4 3433 B10R1.25 COc1ncc(cc1N)Cl 34a_100011998249_200000210301 [1,1,0,0,0,0|2,0,0]=4 3434 B10R1.25 COc1ncc(cc1N)O 271570a_203496583355_100000748608 [1,1,0,0,0,0|2,0,0]=4 3435 B10R1.25 COc1ncc(cc1O)Br 271570a_203496583355_100009814608 [1,1,0,0,0,0|1,0,1]=4 3436 B10R1.25 COc1ncc(cc1O)C 271570a_203496583355_100012353929 [1,1,0,0,0,0|1,0,1]=4 3437 B10R1.25 COc1ncc(cc1O)F 271570a_203496583355_100009828472 [1,1,0,0,0,0|1,0,1]=4 3438 B10R1.25 COc1ncc(cc1O)N 271570a_203496583355_100012351452 [1,1,0,0,0,0|1,0,1]=4 3439 B10R1.25 COc1ncc(cc1O)O 271570a_203496583355_100010135713 [1,1,0,0,0,0|1,0,1]=4 3440 B10R1.25 CSc1ccc(cc1Br)Br 62a_100011484698_200000210301 [1,1,0,0,0,0|1,1,0]=4 3441 B10R1.25 CSc1ccc(cc1Br)Br 62a_200000210301_100011484698 [1,1,0,0,0,0|1,1,0]=4 3442 B10R1.25 CSc1ccc(cc1Br)C 62a_100009813563_200000210301 [1,1,0,0,0,0|1,1,0]=4 3443 B10R1.25 CSc1ccc(cc1Br)C 62a_200000210301_100009813563 [1,1,0,0,0,0|1,1,0]=4 3444 B10R1.25 CSc1ccc(cc1Br)Cl 62a_100011219703_200000210301 [1,1,0,0,0,0|1,1,0]=4 3445 B10R1.25 CSc1ccc(cc1Br)Cl 62a_200000210301_100011219703 [1,1,0,0,0,0|1,1,0]=4 3446 B10R1.25 CSc1ccc(cc1Br)F 62a_100011217111_200000210301 [1,1,0,0,0,0|1,1,0]=4 3447 B10R1.25 CSc1ccc(cc1Br)F 62a_200000210301_100011217111 [1,1,0,0,0,0|1,1,0]=4 3448 B10R1.25 CSc1ccc(cc1Br)N 62a_100000750458_200000210301 [1,1,0,0,0,0|1,1,0]=4 3449 B10R1.25 CSc1ccc(cc1Br)N 62a_200000210301_100000750458 [1,1,0,0,0,0|1,1,0]=4 3450 B10R1.25 CSc1ccc(cc1Br)O 62a_100000701344_200000210301 [1,1,0,0,0,0|1,1,0]=4 3451 B10R1.25 CSc1ccc(cc1Br)O 62a_200000210301_100000701344 [1,1,0,0,0,0|1,1,0]=4 3452 B10R1.25 CSc1ccc(cc1C)Br 62a_100000701812_200000210301 [1,1,0,0,0,0|0,1,1]=4 3453 B10R1.25 CSc1ccc(cc1C)Br 62a_200000210301_100000701812 [1,1,0,0,0,0|0,1,1]=4 3454 B10R1.25 CSc1ccc(cc1C)C 62a_100011217332_200000210301 [1,1,0,0,0,0|0,1,1]=4 3455 B10R1.25 CSc1ccc(cc1C)C 62a_200000210301_100011217332 [1,1,0,0,0,0|0,1,1]=4 3456 B10R1.25 CSc1ccc(cc1C)Cl 62a_100011219607_200000210301 [1,1,0,0,0,0|0,1,1]=4 3457 B10R1.25 CSc1ccc(cc1C)Cl 62a_200000210301_100011219607 [1,1,0,0,0,0|0,1,1]=4 3458 B10R1.25 CSc1ccc(cc1C)F 62a_100011205405_200000210301 [1,1,0,0,0,0|0,1,1]=4 3459 B10R1.25 CSc1ccc(cc1C)F 62a_200000210301_100011205405 [1,1,0,0,0,0|0,1,1]=4 3460 B10R1.25 CSc1ccc(cc1C)N 62a_100000210723_200000210301 [1,1,0,0,0,0|0,1,1]=4 3461 B10R1.25 CSc1ccc(cc1C)N 62a_200000210301_100000210723 [1,1,0,0,0,0|0,1,1]=4 3462 B10R1.25 CSc1ccc(cc1C)O 62a_200000210301_100000690111 [1,1,0,0,0,0|0,1,1]=4 3463 B10R1.25 CSc1ccc(cc1Cl)Br 62a_100011216062_200000210301 [1,1,0,0,0,0|1,1,0]=4 3464 B10R1.25 CSc1ccc(cc1Cl)Br 62a_200000210301_100011216062 [1,1,0,0,0,0|1,1,0]=4 3465 B10R1.25 CSc1ccc(cc1Cl)C 62a_100011263221_200000210301 [1,1,0,0,0,0|1,1,0]=4 3466 B10R1.25 CSc1ccc(cc1Cl)C 62a_200000210301_100011263221 [1,1,0,0,0,0|1,1,0]=4 3467 B10R1.25 CSc1ccc(cc1Cl)Cl 62a_100000699841_200000210301 [1,1,0,0,0,0|1,1,0]=4 3468 B10R1.25 CSc1ccc(cc1Cl)Cl 62a_200000210301_100000699841 [1,1,0,0,0,0|1,1,0]=4 3469 B10R1.25 CSc1ccc(cc1Cl)F 62a_100000733362_200000210301 [1,1,0,0,0,0|1,1,0]=4 3470 B10R1.25 CSc1ccc(cc1Cl)F 62a_200000210301_100000733362 [1,1,0,0,0,0|1,1,0]=4 3471 B10R1.25 CSc1ccc(cc1Cl)N 62a_100000761885_200000210301 [1,1,0,0,0,0|1,1,0]=4 3472 B10R1.25 CSc1ccc(cc1Cl)N 62a_200000210301_100000761885 [1,1,0,0,0,0|1,1,0]=4 3473 B10R1.25 CSc1ccc(cc1Cl)O 271570a_203496583355_206447510565 [1,1,0,0,0,0|1,1,0]=4 3474 B10R1.25 CSc1ccc(cc1Cl)O 62a_100000047559_200000210301 [1,1,0,0,0,0|1,1,0]=4 3475 B10R1.25 CSc1ccc(cc1Cl)O 62a_200000210301_100000047559 [1,1,0,0,0,0|1,1,0]=4 3476 B10R1.25 CSc1ccc(cc1F)Br 62a_100009814013_200000210301 [1,1,0,0,0,0|1,1,0]=4 3477 B10R1.25 CSc1ccc(cc1F)Br 62a_200000210301_100009814013 [1,1,0,0,0,0|1,1,0]=4 3478 B10R1.25 CSc1ccc(cc1F)C 62a_100011216119_200000210301 [1,1,0,0,0,0|1,1,0]=4 3479 B10R1.25 CSc1ccc(cc1F)C 62a_200000210301_100011216119 [1,1,0,0,0,0|1,1,0]=4 3480 B10R1.25 CSc1ccc(cc1F)Cl 62a_100011216042_200000210301 [1,1,0,0,0,0|1,1,0]=4 3481 B10R1.25 CSc1ccc(cc1F)Cl 62a_200000210301_100011216042 [1,1,0,0,0,0|1,1,0]=4 3482 B10R1.25 CSc1ccc(cc1F)F 62a_100000750030_200000210301 [1,1,0,0,0,0|1,1,0]=4 3483 B10R1.25 CSc1ccc(cc1F)F 62a_200000210301_100000750030 [1,1,0,0,0,0|1,1,0]=4 3484 B10R1.25 CSc1ccc(cc1F)N 62a_100011356925_200000210301 [1,1,0,0,0,0|1,1,0]=4 3485 B10R1.25 CSc1ccc(cc1F)N 62a_200000210301_100011356925 [1,1,0,0,0,0|1,1,0]=4 3486 B10R1.25 CSc1ccc(cc1F)O 271570a_203496583355_100010161220 [1,1,0,0,0,0|1,1,0]=4 3487 B10R1.25 CSc1ccc(cc1F)O 62a_100000755031_200000210301 [1,1,0,0,0,0|1,1,0]=4 3488 B10R1.25 CSc1ccc(cc1F)O 62a_200000210301_100000755031 [1,1,0,0,0,0|1,1,0]=4 3489 B10R1.25 CSc1ccc(cc1N)Br 62a_100000743836_200000210301 [1,1,0,0,0,0|1,1,0]=4 3490 B10R1.25 CSc1ccc(cc1N)Br 62a_200000210301_100000743836 [1,1,0,0,0,0|1,1,0]=4 3491 B10R1.25 CSc1ccc(cc1N)C 62a_100011216686_200000210301 [1,1,0,0,0,0|1,1,0]=4 3492 B10R1.25 CSc1ccc(cc1N)C 62a_200000210301_100011216686 [1,1,0,0,0,0|1,1,0]=4 3493 B10R1.25 CSc1ccc(cc1N)Cl 62a_100000761886_200000210301 [1,1,0,0,0,0|1,1,0]=4 3494 B10R1.25 CSc1ccc(cc1N)Cl 62a_200000210301_100000761886 [1,1,0,0,0,0|1,1,0]=4 3495 B10R1.25 CSc1ccc(cc1N)F 62a_100000687223_200000210301 [1,1,0,0,0,0|1,1,0]=4 3496 B10R1.25 CSc1ccc(cc1N)F 62a_200000210301_100000687223 [1,1,0,0,0,0|1,1,0]=4 3497 B10R1.25 CSc1ccc(cc1N)N 62a_200000210301_200012175722 [1,1,0,0,0,0|1,1,0]=4 3498 B10R1.25 CSc1ccc(cc1N)N 62a_200012175722_200000210301 [1,1,0,0,0,0|1,1,0]=4 3499 B10R1.25 CSc1ccc(cc1N)O 62a_100011999798_200000210301 [1,1,0,0,0,0|1,1,0]=4 3500 B10R1.25 CSc1ccc(cc1N)O 62a_200000210301_100011999798 [1,1,0,0,0,0|1,1,0]=4 3501 B10R1.25 CSc1ccc(cc1O)Br 62a_100012344904_200000210301 [1,1,0,0,0,0|0,1,1]=4 3502 B10R1.25 CSc1ccc(cc1O)Br 62a_200000210301_100012344904 [1,1,0,0,0,0|0,1,1]=4 3503 B10R1.25 CSc1ccc(cc1O)C 271570a_203496583355_200010201864 [1,1,0,0,0,0|0,1,1]=4 3504 B10R1.25 CSc1ccc(cc1O)C 62a_100012002257_200000210301 [1,1,0,0,0,0|0,1,1]=4 3505 B10R1.25 CSc1ccc(cc1O)C 62a_200000210301_100012002257 [1,1,0,0,0,0|0,1,1]=4 3506 B10R1.25 CSc1ccc(cc1O)Cl 62a_100000050036_200000210301 [1,1,0,0,0,0|0,1,1]=4 3507 B10R1.25 CSc1ccc(cc1O)Cl 62a_200000210301_100000050036 [1,1,0,0,0,0|0,1,1]=4 3508 B10R1.25 CSc1ccc(cc1O)F 271570a_203496583355_100009817003 [1,1,0,0,0,0|0,1,1]=4 3509 B10R1.25 CSc1ccc(cc1O)F 62a_100000690578_200000210301 [1,1,0,0,0,0|0,1,1]=4 3510 B10R1.25 CSc1ccc(cc1O)F 62a_200000210301_100000690578 [1,1,0,0,0,0|0,1,1]=4 3511 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,1,0,0,0,0|0,1,1]=4 3512 B10R1.25 Cc1cc(=O)c(co1)O[13CH3] 34a_100000081520_200025704644 [1,1,0,0,0,0|1,0,0]=3 3513 B10R1.25 Cc1cc(c(cn1)O[13CH3])Br 34a_100009843476_200025704644 [1,1,0,0,0,0|2,0,0]=4 3514 B10R1.25 Cc1cc(c(cn1)O[13CH3])Br 7a_100009843476_200025704644 [1,1,0,0,0,0|2,0,0]=4 3515 B10R1.25 Cc1cc(c(cn1)O[13CH3])C 34a_200000068632_200025704644 [1,1,0,0,0,0|1,0,1]=4 3516 B10R1.25 Cc1cc(c(cn1)O[13CH3])C 7a_200000068632_200025704644 [1,1,0,0,0,0|1,0,1]=4 3517 B10R1.25 Cc1cc(ccc1C#N)O 271570a_203496583355_100000687762 [1,1,0,0,0,0|1,0,1]=4 3518 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,1,0,0,0,0|0,0,0]=2 3519 B10R1.25 Cc1cc(ccc1CF)O 271570a_203496583355_200010711859 [1,1,0,0,0,0|1,0,1]=4 3520 B10R1.25 Cc1cc(ccc1CN)O 271570a_203496583355_100000753881 [1,1,0,0,0,0|1,0,1]=4 3521 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,1,0,0,0,0|0,0,2]=4 3522 B10R1.25 Cc1cc(ccc1NN)O 271570a_203496583355_100000751375 [1,1,0,0,0,0|2,0,0]=4 3523 B10R1.25 Cc1cc(ccc1N[13CH3])Br 34a_100000211769_200025704644 [1,1,0,0,0,0|1,0,1]=4 3524 B10R1.25 Cc1cc(ccc1N[13CH3])Br 7a_100000211769_200025704644 [1,1,0,0,0,0|1,0,1]=4 3525 B10R1.25 Cc1cc(ccc1N[13CH3])Cl 34a_100000210418_200025704644 [1,1,0,0,0,0|1,0,1]=4 3526 B10R1.25 Cc1cc(ccc1N[13CH3])Cl 7a_100000210418_200025704644 [1,1,0,0,0,0|1,0,1]=4 3527 B10R1.25 Cc1cc(ccc1N[13CH3])F 34a_100000211637_200025704644 [1,1,0,0,0,0|1,0,1]=4 3528 B10R1.25 Cc1cc(ccc1N[13CH3])F 7a_100000211637_200025704644 [1,1,0,0,0,0|1,0,1]=4 3529 B10R1.25 Cc1cc(ccc1N[13CH3])I 34a_100000184554_200025704644 [1,1,0,0,0,0|1,0,1]=4 3530 B10R1.25 Cc1cc(ccc1N[13CH3])I 7a_100000184554_200025704644 [1,1,0,0,0,0|1,0,1]=4 3531 B10R1.25 Cc1cc(ccc1N[13CH3])O 34a_100000756630_200025704644 [1,1,0,0,0,0|1,0,1]=4 3532 B10R1.25 Cc1cc(ccc1O[13CH3])Br 34a_100000186361_200025704644 [1,1,0,0,0,0|0,0,1]=3 3533 B10R1.25 Cc1cc(ccc1O[13CH3])Br 7a_100000186361_200025704644 [1,1,0,0,0,0|0,0,1]=3 3534 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 34a_100000211091_200025704644 [1,1,0,0,0,0|0,0,1]=3 3535 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 7a_100000211091_200025704644 [1,1,0,0,0,0|0,0,1]=3 3536 B10R1.25 Cc1cc(ccc1O[13CH3])F 34a_100000764316_200025704644 [1,1,0,0,0,0|0,0,1]=3 3537 B10R1.25 Cc1cc(ccc1O[13CH3])F 7a_100000764316_200025704644 [1,1,0,0,0,0|0,0,1]=3 3538 B10R1.25 Cc1cc(ccc1O[13CH3])I 34a_100011218673_200025704644 [1,1,0,0,0,0|0,0,1]=3 3539 B10R1.25 Cc1cc(ccc1O[13CH3])I 7a_100011218673_200025704644 [1,1,0,0,0,0|0,0,1]=3 3540 B10R1.25 Cc1cc(ccc1O[13CH3])N 34a_100011218179_200025704644 [1,1,0,0,0,0|0,0,1]=3 3541 B10R1.25 Cc1cc(ccc1O[13CH3])N 7a_100011218179_200025704644 [1,1,0,0,0,0|0,0,1]=3 3542 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_100000701812_200025704644 [1,1,0,0,0,0|0,1,1]=4 3543 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_200025704644_100000701812 [1,1,0,0,0,0|0,1,1]=4 3544 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_100011219607_200025704644 [1,1,0,0,0,0|0,1,1]=4 3545 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_200025704644_100011219607 [1,1,0,0,0,0|0,1,1]=4 3546 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_100011205405_200025704644 [1,1,0,0,0,0|0,1,1]=4 3547 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_200025704644_100011205405 [1,1,0,0,0,0|0,1,1]=4 3548 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_100000210723_200025704644 [1,1,0,0,0,0|0,1,1]=4 3549 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_200025704644_100000210723 [1,1,0,0,0,0|0,1,1]=4 3550 B10R1.25 Cc1cc(ccc1S[13CH3])O 62a_200025704644_100000690111 [1,1,0,0,0,0|0,1,1]=4 3551 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,1,0,0,0,0|1,0,0]=3 3552 B10R1.25 Cc1cc(cnc1O[13CH3])Br 34a_100000685391_200025704644 [1,1,0,0,0,0|1,0,1]=4 3553 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,1,0,0,0,0|1,0,0]=3 3554 B10R1.25 Cc1cc(ncc1O[13CH3])Cl 34a_100000692680_200025704644 [1,1,0,0,0,0|1,0,1]=4 3555 B10R1.25 Cc1cc(ncc1O[13CH3])Cl 7a_100000692680_200025704644 [1,1,0,0,0,0|1,0,1]=4 3556 B10R1.25 Cc1cc(ncc1O[13CH3])F 34a_100009856773_200025704644 [1,1,0,0,0,0|1,0,1]=4 3557 B10R1.25 Cc1cc(ncc1O[13CH3])F 7a_100009856773_200025704644 [1,1,0,0,0,0|1,0,1]=4 3558 B10R1.25 Cc1ccc(c(c1)Br)N[13CH3] 34a_100000210942_200025704644 [1,1,0,0,0,0|2,0,0]=4 3559 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 34a_100000210800_200025704644 [1,1,0,0,0,0|1,0,0]=3 3560 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 7a_100000210800_200025704644 [1,1,0,0,0,0|1,0,0]=3 3561 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_100009813563_200025704644 [1,1,0,0,0,0|1,1,0]=4 3562 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100009813563 [1,1,0,0,0,0|1,1,0]=4 3563 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 34a_100000736561_200025704644 [1,1,0,0,0,0|1,0,1]=4 3564 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 7a_100000736561_200025704644 [1,1,0,0,0,0|1,0,1]=4 3565 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 34a_100000211776_200025704644 [1,1,0,0,0,0|0,0,1]=3 3566 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 7a_100000211776_200025704644 [1,1,0,0,0,0|0,0,1]=3 3567 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_100011217332_200025704644 [1,1,0,0,0,0|0,1,1]=4 3568 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011217332 [1,1,0,0,0,0|0,1,1]=4 3569 B10R1.25 Cc1ccc(c(c1)Cl)N[13CH3] 34a_100000210522_200025704644 [1,1,0,0,0,0|2,0,0]=4 3570 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 34a_100000749699_200025704644 [1,1,0,0,0,0|1,0,0]=3 3571 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 7a_100000749699_200025704644 [1,1,0,0,0,0|1,0,0]=3 3572 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_100011263221_200025704644 [1,1,0,0,0,0|1,1,0]=4 3573 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100011263221 [1,1,0,0,0,0|1,1,0]=4 3574 B10R1.25 Cc1ccc(c(c1)F)N[13CH3] 34a_100000211023_200025704644 [1,1,0,0,0,0|2,0,0]=4 3575 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 34a_100011216688_200025704644 [1,1,0,0,0,0|1,0,0]=3 3576 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 7a_100011216688_200025704644 [1,1,0,0,0,0|1,0,0]=3 3577 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_100011216119_200025704644 [1,1,0,0,0,0|1,1,0]=4 3578 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011216119 [1,1,0,0,0,0|1,1,0]=4 3579 B10R1.25 Cc1ccc(c(c1)I)N[13CH3] 34a_100011356834_200025704644 [1,1,0,0,0,0|2,0,0]=4 3580 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 34a_100000765521_200025704644 [1,1,0,0,0,0|1,0,0]=3 3581 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 7a_100000765521_200025704644 [1,1,0,0,0,0|1,0,0]=3 3582 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 34a_100011215204_200025704644 [1,1,0,0,0,0|1,0,0]=3 3583 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 7a_100011215204_200025704644 [1,1,0,0,0,0|1,0,0]=3 3584 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_100011216686_200025704644 [1,1,0,0,0,0|1,1,0]=4 3585 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011216686 [1,1,0,0,0,0|1,1,0]=4 3586 B10R1.25 Cc1ccc(c(c1)O)C#N 271570a_203496583355_100000693804 [1,1,0,0,0,0|1,0,1]=4 3587 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,1,0,0,0,0|0,0,0]=2 3588 B10R1.25 Cc1ccc(c(c1)O)NN 271570a_203496583355_100016996181 [1,1,0,0,0,0|2,0,0]=4 3589 B10R1.25 Cc1ccc(c(c1)O)N[13CH3] 34a_100000211527_200025704644 [1,1,0,0,0,0|1,0,1]=4 3590 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_100012002257_200025704644 [1,1,0,0,0,0|0,1,1]=4 3591 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012002257 [1,1,0,0,0,0|0,1,1]=4 3592 B10R1.25 Cc1ccc(c(n1)Br)O[13CH3] 34a_100000702858_200025704644 [1,1,0,0,0,0|2,0,0]=4 3593 B10R1.25 Cc1ccc(c(n1)Br)O[13CH3] 7a_100000702858_200025704644 [1,1,0,0,0,0|2,0,0]=4 3594 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 34a_100011218912_200025704644 [1,1,0,0,0,0|1,0,1]=4 3595 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 7a_100011218912_200025704644 [1,1,0,0,0,0|1,0,1]=4 3596 B10R1.25 Cc1ccc(c(n1)Cl)O[13CH3] 34a_100000086286_200025704644 [1,1,0,0,0,0|2,0,0]=4 3597 B10R1.25 Cc1ccc(c(n1)Cl)O[13CH3] 7a_100000086286_200025704644 [1,1,0,0,0,0|2,0,0]=4 3598 B10R1.25 Cc1ccc(c(n1)F)O[13CH3] 34a_100000079963_200025704644 [1,1,0,0,0,0|2,0,0]=4 3599 B10R1.25 Cc1ccc(c(n1)F)O[13CH3] 7a_100000079963_200025704644 [1,1,0,0,0,0|2,0,0]=4 3600 B10R1.25 Cc1ccc(c(n1)I)O[13CH3] 34a_100000023897_200025704644 [1,1,0,0,0,0|2,0,0]=4 3601 B10R1.25 Cc1ccc(c(n1)I)O[13CH3] 7a_100000023897_200025704644 [1,1,0,0,0,0|2,0,0]=4 3602 B10R1.25 Cc1ccc(c(n1)N)O[13CH3] 34a_100000694039_200025704644 [1,1,0,0,0,0|2,0,0]=4 3603 B10R1.25 Cc1ccc(c(n1)N)O[13CH3] 7a_100000694039_200025704644 [1,1,0,0,0,0|2,0,0]=4 3604 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [1,1,0,0,0,0|1,0,0]=3 3605 B10R1.25 Cc1cnc(c(c1)Br)O[13CH3] 34a_100000719714_200025704644 [1,1,0,0,0,0|2,0,0]=4 3606 B10R1.25 Cc1cnc(c(c1)N)O[13CH3] 34a_100012000488_200025704644 [1,1,0,0,0,0|2,0,0]=4 3607 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,1,0,0,0,0|1,0,0]=3 3608 B10R1.25 Cc1nc(ccc1O[13CH3])Br 34a_100012002022_200025704644 [1,1,0,0,0,0|1,0,1]=4 3609 B10R1.25 Cc1nc(ccc1O[13CH3])Br 7a_100012002022_200025704644 [1,1,0,0,0,0|1,0,1]=4 3610 B10R1.25 Cc1nc(ccc1O[13CH3])Cl 34a_100012184626_200025704644 [1,1,0,0,0,0|1,0,1]=4 3611 B10R1.25 Cc1nc(ccc1O[13CH3])Cl 7a_100012184626_200025704644 [1,1,0,0,0,0|1,0,1]=4 3612 B10R1.25 Cc1nc(ccc1O[13CH3])F 34a_100009881036_200025704644 [1,1,0,0,0,0|1,0,1]=4 3613 B10R1.25 Cc1nc(ccc1O[13CH3])F 7a_100009881036_200025704644 [1,1,0,0,0,0|1,0,1]=4 3614 B10R1.25 Cc1nc(ccc1O[13CH3])I 34a_100010233687_200025704644 [1,1,0,0,0,0|1,0,1]=4 3615 B10R1.25 Cc1nc(ccc1O[13CH3])I 7a_100010233687_200025704644 [1,1,0,0,0,0|1,0,1]=4 3616 B10R1.25 N#Cc1ccc(cc1O)Br 271570a_203496583355_100010214477 [1,1,0,0,0,0|1,0,1]=4 3617 B10R1.25 N#Cc1ccc(cc1O)Cl 271570a_203496583355_100012355178 [1,1,0,0,0,0|1,0,1]=4 3618 B10R1.25 N#Cc1ccc(cc1O)F 271570a_203496583355_100000747196 [1,1,0,0,0,0|1,0,1]=4 3619 B10R1.25 N#Cc1ccc(cc1O)N 271570a_203496583355_100000689153 [1,1,0,0,0,0|1,0,1]=4 3620 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100011934713 [1,1,0,0,0,0|1,0,1]=4 3621 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100012184851 [1,1,0,0,0,0|1,0,1]=4 3622 B10R1.25 NCc1ccc(cc1O)F 271570a_203496583355_100000708791 [1,1,0,0,0,0|1,0,1]=4 3623 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [1,1,0,0,0,0|1,0,0]=3 3624 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [1,1,0,0,0,0|1,0,0]=3 3625 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [1,1,0,0,0,0|1,0,0]=3 3626 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [1,1,0,0,0,0|1,0,0]=3 3627 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,1,0,0,0,0|0,0,0]=2 3628 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,1,0,0,0,0|0,0,0]=2 3629 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,1,0,0,0,0|0,0,0]=2 3630 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,1,0,0,0,0|0,0,0]=2 3631 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [1,1,0,0,0,0|2,0,0]=4 3632 B10R1.25 O=Cc1ccc(nc1O)F 271570a_203496583355_100009846357 [1,1,0,0,0,0|1,0,0]=3 3633 B10R1.25 O=Cc1cnc(cc1O)F 271570a_203496583355_100009862493 [1,1,0,0,0,0|1,0,0]=3 3634 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [1,1,0,0,0,0|2,0,0]=4 3635 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [1,1,0,0,0,0|0,0,2]=4 3636 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [1,1,0,0,0,0|0,0,2]=4 3637 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [1,1,0,0,0,0|0,0,2]=4 3638 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,1,0,0,0,0|0,0,2]=4 3639 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,1,0,0,0,0|0,0,2]=4 3640 B10R1.25 [13CH3]Nc1ccc(cc1Br)Br 34a_100000211012_200025704644 [1,1,0,0,0,0|2,0,0]=4 3641 B10R1.25 [13CH3]Nc1ccc(cc1Br)Cl 34a_100000752454_200025704644 [1,1,0,0,0,0|2,0,0]=4 3642 B10R1.25 [13CH3]Nc1ccc(cc1Br)F 34a_100000738039_200025704644 [1,1,0,0,0,0|2,0,0]=4 3643 B10R1.25 [13CH3]Nc1ccc(cc1Br)O 34a_100012001276_200025704644 [1,1,0,0,0,0|2,0,0]=4 3644 B10R1.25 [13CH3]Nc1ccc(cc1Cl)Br 34a_100000211467_200025704644 [1,1,0,0,0,0|2,0,0]=4 3645 B10R1.25 [13CH3]Nc1ccc(cc1Cl)Cl 34a_100000185861_200025704644 [1,1,0,0,0,0|2,0,0]=4 3646 B10R1.25 [13CH3]Nc1ccc(cc1Cl)F 34a_100000212003_200025704644 [1,1,0,0,0,0|2,0,0]=4 3647 B10R1.25 [13CH3]Nc1ccc(cc1Cl)I 34a_100011218065_200025704644 [1,1,0,0,0,0|2,0,0]=4 3648 B10R1.25 [13CH3]Nc1ccc(cc1Cl)O 34a_100011215599_200025704644 [1,1,0,0,0,0|2,0,0]=4 3649 B10R1.25 [13CH3]Nc1ccc(cc1F)Br 34a_100000210722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3650 B10R1.25 [13CH3]Nc1ccc(cc1F)Cl 34a_100000211020_200025704644 [1,1,0,0,0,0|2,0,0]=4 3651 B10R1.25 [13CH3]Nc1ccc(cc1F)F 34a_100000210720_200025704644 [1,1,0,0,0,0|2,0,0]=4 3652 B10R1.25 [13CH3]Nc1ccc(cc1F)I 34a_100011215594_200025704644 [1,1,0,0,0,0|2,0,0]=4 3653 B10R1.25 [13CH3]Nc1ccc(cc1F)O 34a_100000759473_200025704644 [1,1,0,0,0,0|2,0,0]=4 3654 B10R1.25 [13CH3]Nc1ccc(cc1I)Br 34a_100000187925_200025704644 [1,1,0,0,0,0|2,0,0]=4 3655 B10R1.25 [13CH3]Nc1ccc(cc1I)Cl 34a_100000761889_200025704644 [1,1,0,0,0,0|2,0,0]=4 3656 B10R1.25 [13CH3]Nc1ccc(cc1I)F 34a_100000760547_200025704644 [1,1,0,0,0,0|2,0,0]=4 3657 B10R1.25 [13CH3]Nc1ccc(cc1I)O 34a_100010084370_200025704644 [1,1,0,0,0,0|2,0,0]=4 3658 B10R1.25 [13CH3]Nc1ccc(cc1O)Br 34a_100000739049_200025704644 [1,1,0,0,0,0|1,0,1]=4 3659 B10R1.25 [13CH3]Nc1ccc(cc1O)Cl 34a_100000185728_200025704644 [1,1,0,0,0,0|1,0,1]=4 3660 B10R1.25 [13CH3]Nc1ccc(cc1O)F 34a_100000753323_200025704644 [1,1,0,0,0,0|1,0,1]=4 3661 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,1,0,0,0,0|1,0,1]=4 3662 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 34a_100000188717_200025704644 [1,1,0,0,0,0|1,0,0]=3 3663 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 7a_100000188717_200025704644 [1,1,0,0,0,0|1,0,0]=3 3664 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 34a_100000211998_200025704644 [1,1,0,0,0,0|1,0,0]=3 3665 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 7a_100000211998_200025704644 [1,1,0,0,0,0|1,0,0]=3 3666 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 34a_100000211999_200025704644 [1,1,0,0,0,0|1,0,0]=3 3667 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 7a_100000211999_200025704644 [1,1,0,0,0,0|1,0,0]=3 3668 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 34a_100012361655_200025704644 [1,1,0,0,0,0|1,0,0]=3 3669 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 7a_100012361655_200025704644 [1,1,0,0,0,0|1,0,0]=3 3670 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 34a_100011534360_200025704644 [1,1,0,0,0,0|1,0,0]=3 3671 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 7a_100011534360_200025704644 [1,1,0,0,0,0|1,0,0]=3 3672 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 34a_100000186472_200025704644 [1,1,0,0,0,0|1,0,0]=3 3673 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 7a_100000186472_200025704644 [1,1,0,0,0,0|1,0,0]=3 3674 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 34a_100015191787_200025704644 [1,1,0,0,0,0|1,0,0]=3 3675 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 7a_100015191787_200025704644 [1,1,0,0,0,0|1,0,0]=3 3676 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 34a_100000212004_200025704644 [1,1,0,0,0,0|1,0,0]=3 3677 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 7a_100000212004_200025704644 [1,1,0,0,0,0|1,0,0]=3 3678 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 34a_100012360047_200025704644 [1,1,0,0,0,0|1,0,0]=3 3679 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 7a_100012360047_200025704644 [1,1,0,0,0,0|1,0,0]=3 3680 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 34a_100000744943_200025704644 [1,1,0,0,0,0|1,0,0]=3 3681 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 7a_100000744943_200025704644 [1,1,0,0,0,0|1,0,0]=3 3682 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 34a_100000185481_200025704644 [1,1,0,0,0,0|1,0,0]=3 3683 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 7a_100000185481_200025704644 [1,1,0,0,0,0|1,0,0]=3 3684 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 34a_100000230166_200025704644 [1,1,0,0,0,0|1,0,0]=3 3685 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 7a_100000230166_200025704644 [1,1,0,0,0,0|1,0,0]=3 3686 B10R1.25 [13CH3]Oc1ccc(cc1F)F 34a_100000230127_200025704644 [1,1,0,0,0,0|1,0,0]=3 3687 B10R1.25 [13CH3]Oc1ccc(cc1F)F 7a_100000230127_200025704644 [1,1,0,0,0,0|1,0,0]=3 3688 B10R1.25 [13CH3]Oc1ccc(cc1F)I 34a_100011356965_200025704644 [1,1,0,0,0,0|1,0,0]=3 3689 B10R1.25 [13CH3]Oc1ccc(cc1F)I 7a_100011356965_200025704644 [1,1,0,0,0,0|1,0,0]=3 3690 B10R1.25 [13CH3]Oc1ccc(cc1F)N 34a_100011220035_200025704644 [1,1,0,0,0,0|1,0,0]=3 3691 B10R1.25 [13CH3]Oc1ccc(cc1F)N 7a_100011220035_200025704644 [1,1,0,0,0,0|1,0,0]=3 3692 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 34a_100012355227_200025704644 [1,1,0,0,0,0|1,0,0]=3 3693 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 7a_100012355227_200025704644 [1,1,0,0,0,0|1,0,0]=3 3694 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 34a_100011356953_200025704644 [1,1,0,0,0,0|1,0,0]=3 3695 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 7a_100011356953_200025704644 [1,1,0,0,0,0|1,0,0]=3 3696 B10R1.25 [13CH3]Oc1ccc(cc1I)F 34a_100012355409_200025704644 [1,1,0,0,0,0|1,0,0]=3 3697 B10R1.25 [13CH3]Oc1ccc(cc1I)F 7a_100012355409_200025704644 [1,1,0,0,0,0|1,0,0]=3 3698 B10R1.25 [13CH3]Oc1ccc(cc1I)I 7a_100010001573_200025704644 [1,1,0,0,0,0|1,0,0]=3 3699 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 34a_100000752626_200025704644 [1,1,0,0,0,0|1,0,0]=3 3700 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 7a_100000752626_200025704644 [1,1,0,0,0,0|1,0,0]=3 3701 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 34a_100000210500_200025704644 [1,1,0,0,0,0|1,0,0]=3 3702 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 7a_100000210500_200025704644 [1,1,0,0,0,0|1,0,0]=3 3703 B10R1.25 [13CH3]Oc1ccc(cc1N)F 34a_100000759472_200025704644 [1,1,0,0,0,0|1,0,0]=3 3704 B10R1.25 [13CH3]Oc1ccc(cc1N)F 7a_100000759472_200025704644 [1,1,0,0,0,0|1,0,0]=3 3705 B10R1.25 [13CH3]Oc1ccc(cc1N)I 34a_100000753495_200025704644 [1,1,0,0,0,0|1,0,0]=3 3706 B10R1.25 [13CH3]Oc1ccc(cc1N)I 7a_100000753495_200025704644 [1,1,0,0,0,0|1,0,0]=3 3707 B10R1.25 [13CH3]Oc1ccc(cc1N)N 34a_100000725306_200025704644 [1,1,0,0,0,0|1,0,0]=3 3708 B10R1.25 [13CH3]Oc1ccc(nc1Br)Br 34a_100009999766_200025704644 [1,1,0,0,0,0|2,0,0]=4 3709 B10R1.25 [13CH3]Oc1ccc(nc1Br)Br 7a_100009999766_200025704644 [1,1,0,0,0,0|2,0,0]=4 3710 B10R1.25 [13CH3]Oc1ccc(nc1Br)Cl 34a_100010219353_200025704644 [1,1,0,0,0,0|2,0,0]=4 3711 B10R1.25 [13CH3]Oc1ccc(nc1Br)Cl 7a_100010219353_200025704644 [1,1,0,0,0,0|2,0,0]=4 3712 B10R1.25 [13CH3]Oc1ccc(nc1Br)F 34a_100009887730_200025704644 [1,1,0,0,0,0|2,0,0]=4 3713 B10R1.25 [13CH3]Oc1ccc(nc1Br)F 7a_100009887730_200025704644 [1,1,0,0,0,0|2,0,0]=4 3714 B10R1.25 [13CH3]Oc1ccc(nc1Br)I 34a_100000725334_200025704644 [1,1,0,0,0,0|2,0,0]=4 3715 B10R1.25 [13CH3]Oc1ccc(nc1Br)I 7a_100000725334_200025704644 [1,1,0,0,0,0|2,0,0]=4 3716 B10R1.25 [13CH3]Oc1ccc(nc1Cl)Br 34a_100010246206_200025704644 [1,1,0,0,0,0|2,0,0]=4 3717 B10R1.25 [13CH3]Oc1ccc(nc1Cl)Br 7a_100010246206_200025704644 [1,1,0,0,0,0|2,0,0]=4 3718 B10R1.25 [13CH3]Oc1ccc(nc1Cl)Cl 34a_100000101165_200025704644 [1,1,0,0,0,0|2,0,0]=4 3719 B10R1.25 [13CH3]Oc1ccc(nc1Cl)Cl 7a_100000101165_200025704644 [1,1,0,0,0,0|2,0,0]=4 3720 B10R1.25 [13CH3]Oc1ccc(nc1Cl)I 34a_100000721234_200025704644 [1,1,0,0,0,0|2,0,0]=4 3721 B10R1.25 [13CH3]Oc1ccc(nc1Cl)I 7a_100000721234_200025704644 [1,1,0,0,0,0|2,0,0]=4 3722 B10R1.25 [13CH3]Oc1ccc(nc1F)Br 34a_100009819667_200025704644 [1,1,0,0,0,0|2,0,0]=4 3723 B10R1.25 [13CH3]Oc1ccc(nc1F)Br 7a_100009819667_200025704644 [1,1,0,0,0,0|2,0,0]=4 3724 B10R1.25 [13CH3]Oc1ccc(nc1F)Cl 34a_100009880201_200025704644 [1,1,0,0,0,0|2,0,0]=4 3725 B10R1.25 [13CH3]Oc1ccc(nc1F)Cl 7a_100009880201_200025704644 [1,1,0,0,0,0|2,0,0]=4 3726 B10R1.25 [13CH3]Oc1ccc(nc1F)F 34a_100000101184_200025704644 [1,1,0,0,0,0|2,0,0]=4 3727 B10R1.25 [13CH3]Oc1ccc(nc1F)F 7a_100000101184_200025704644 [1,1,0,0,0,0|2,0,0]=4 3728 B10R1.25 [13CH3]Oc1ccc(nc1I)Br 34a_100010253912_200025704644 [1,1,0,0,0,0|2,0,0]=4 3729 B10R1.25 [13CH3]Oc1ccc(nc1I)Br 7a_100010253912_200025704644 [1,1,0,0,0,0|2,0,0]=4 3730 B10R1.25 [13CH3]Oc1ccc(nc1I)Cl 34a_100000696390_200025704644 [1,1,0,0,0,0|2,0,0]=4 3731 B10R1.25 [13CH3]Oc1ccc(nc1I)Cl 7a_100000696390_200025704644 [1,1,0,0,0,0|2,0,0]=4 3732 B10R1.25 [13CH3]Oc1ccc(nc1I)F 34a_100010382442_200025704644 [1,1,0,0,0,0|2,0,0]=4 3733 B10R1.25 [13CH3]Oc1ccc(nc1I)F 7a_100010382442_200025704644 [1,1,0,0,0,0|2,0,0]=4 3734 B10R1.25 [13CH3]Oc1ccc(nc1N)Br 34a_100000685527_200025704644 [1,1,0,0,0,0|2,0,0]=4 3735 B10R1.25 [13CH3]Oc1ccc(nc1N)Br 7a_100000685527_200025704644 [1,1,0,0,0,0|2,0,0]=4 3736 B10R1.25 [13CH3]Oc1ccc(nc1N)Cl 34a_100000717809_200025704644 [1,1,0,0,0,0|2,0,0]=4 3737 B10R1.25 [13CH3]Oc1ccc(nc1N)Cl 7a_100000717809_200025704644 [1,1,0,0,0,0|2,0,0]=4 3738 B10R1.25 [13CH3]Oc1cnc(cc1Cl)Cl 34a_100009868576_200025704644 [1,1,0,0,0,0|2,0,0]=4 3739 B10R1.25 [13CH3]Oc1cnc(cc1Cl)Cl 7a_100009868576_200025704644 [1,1,0,0,0,0|2,0,0]=4 3740 B10R1.25 [13CH3]Oc1cnc(cc1F)F 34a_100009885687_200025704644 [1,1,0,0,0,0|2,0,0]=4 3741 B10R1.25 [13CH3]Oc1cnc(cc1F)F 7a_100009885687_200025704644 [1,1,0,0,0,0|2,0,0]=4 3742 B10R1.25 [13CH3]Oc1cnc(cc1I)Cl 34a_100000698892_200025704644 [1,1,0,0,0,0|2,0,0]=4 3743 B10R1.25 [13CH3]Oc1cnc(cc1I)Cl 7a_100000698892_200025704644 [1,1,0,0,0,0|2,0,0]=4 3744 B10R1.25 [13CH3]Oc1cnc(cc1N)Br 34a_100009819941_200025704644 [1,1,0,0,0,0|2,0,0]=4 3745 B10R1.25 [13CH3]Oc1cnc(cc1N)Br 7a_100009819941_200025704644 [1,1,0,0,0,0|2,0,0]=4 3746 B10R1.25 [13CH3]Oc1ncc(cc1Br)Br 34a_100000701035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3747 B10R1.25 [13CH3]Oc1ncc(cc1Cl)Br 34a_100012339560_200025704644 [1,1,0,0,0,0|2,0,0]=4 3748 B10R1.25 [13CH3]Oc1ncc(cc1Cl)F 34a_100009847679_200025704644 [1,1,0,0,0,0|2,0,0]=4 3749 B10R1.25 [13CH3]Oc1ncc(cc1F)Cl 34a_100011998252_200025704644 [1,1,0,0,0,0|2,0,0]=4 3750 B10R1.25 [13CH3]Oc1ncc(cc1F)F 34a_100012025737_200025704644 [1,1,0,0,0,0|2,0,0]=4 3751 B10R1.25 [13CH3]Oc1ncc(cc1N)Br 34a_100000743729_200025704644 [1,1,0,0,0,0|2,0,0]=4 3752 B10R1.25 [13CH3]Oc1ncc(cc1N)Cl 34a_100011998249_200025704644 [1,1,0,0,0,0|2,0,0]=4 3753 B10R1.25 [13CH3]Sc1ccc(cc1Br)Br 62a_100011484698_200025704644 [1,1,0,0,0,0|1,1,0]=4 3754 B10R1.25 [13CH3]Sc1ccc(cc1Br)Br 62a_200025704644_100011484698 [1,1,0,0,0,0|1,1,0]=4 3755 B10R1.25 [13CH3]Sc1ccc(cc1Br)Cl 62a_100011219703_200025704644 [1,1,0,0,0,0|1,1,0]=4 3756 B10R1.25 [13CH3]Sc1ccc(cc1Br)Cl 62a_200025704644_100011219703 [1,1,0,0,0,0|1,1,0]=4 3757 B10R1.25 [13CH3]Sc1ccc(cc1Br)F 62a_100011217111_200025704644 [1,1,0,0,0,0|1,1,0]=4 3758 B10R1.25 [13CH3]Sc1ccc(cc1Br)F 62a_200025704644_100011217111 [1,1,0,0,0,0|1,1,0]=4 3759 B10R1.25 [13CH3]Sc1ccc(cc1Br)N 62a_100000750458_200025704644 [1,1,0,0,0,0|1,1,0]=4 3760 B10R1.25 [13CH3]Sc1ccc(cc1Br)N 62a_200025704644_100000750458 [1,1,0,0,0,0|1,1,0]=4 3761 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_100000701344_200025704644 [1,1,0,0,0,0|1,1,0]=4 3762 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_200025704644_100000701344 [1,1,0,0,0,0|1,1,0]=4 3763 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Br 62a_100011216062_200025704644 [1,1,0,0,0,0|1,1,0]=4 3764 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Br 62a_200025704644_100011216062 [1,1,0,0,0,0|1,1,0]=4 3765 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Cl 62a_100000699841_200025704644 [1,1,0,0,0,0|1,1,0]=4 3766 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Cl 62a_200025704644_100000699841 [1,1,0,0,0,0|1,1,0]=4 3767 B10R1.25 [13CH3]Sc1ccc(cc1Cl)F 62a_100000733362_200025704644 [1,1,0,0,0,0|1,1,0]=4 3768 B10R1.25 [13CH3]Sc1ccc(cc1Cl)F 62a_200025704644_100000733362 [1,1,0,0,0,0|1,1,0]=4 3769 B10R1.25 [13CH3]Sc1ccc(cc1Cl)N 62a_100000761885_200025704644 [1,1,0,0,0,0|1,1,0]=4 3770 B10R1.25 [13CH3]Sc1ccc(cc1Cl)N 62a_200025704644_100000761885 [1,1,0,0,0,0|1,1,0]=4 3771 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_100000047559_200025704644 [1,1,0,0,0,0|1,1,0]=4 3772 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_200025704644_100000047559 [1,1,0,0,0,0|1,1,0]=4 3773 B10R1.25 [13CH3]Sc1ccc(cc1F)Br 62a_100009814013_200025704644 [1,1,0,0,0,0|1,1,0]=4 3774 B10R1.25 [13CH3]Sc1ccc(cc1F)Br 62a_200025704644_100009814013 [1,1,0,0,0,0|1,1,0]=4 3775 B10R1.25 [13CH3]Sc1ccc(cc1F)Cl 62a_100011216042_200025704644 [1,1,0,0,0,0|1,1,0]=4 3776 B10R1.25 [13CH3]Sc1ccc(cc1F)Cl 62a_200025704644_100011216042 [1,1,0,0,0,0|1,1,0]=4 3777 B10R1.25 [13CH3]Sc1ccc(cc1F)F 62a_100000750030_200025704644 [1,1,0,0,0,0|1,1,0]=4 3778 B10R1.25 [13CH3]Sc1ccc(cc1F)F 62a_200025704644_100000750030 [1,1,0,0,0,0|1,1,0]=4 3779 B10R1.25 [13CH3]Sc1ccc(cc1F)N 62a_100011356925_200025704644 [1,1,0,0,0,0|1,1,0]=4 3780 B10R1.25 [13CH3]Sc1ccc(cc1F)N 62a_200025704644_100011356925 [1,1,0,0,0,0|1,1,0]=4 3781 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_100000755031_200025704644 [1,1,0,0,0,0|1,1,0]=4 3782 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_200025704644_100000755031 [1,1,0,0,0,0|1,1,0]=4 3783 B10R1.25 [13CH3]Sc1ccc(cc1N)Br 62a_100000743836_200025704644 [1,1,0,0,0,0|1,1,0]=4 3784 B10R1.25 [13CH3]Sc1ccc(cc1N)Br 62a_200025704644_100000743836 [1,1,0,0,0,0|1,1,0]=4 3785 B10R1.25 [13CH3]Sc1ccc(cc1N)Cl 62a_100000761886_200025704644 [1,1,0,0,0,0|1,1,0]=4 3786 B10R1.25 [13CH3]Sc1ccc(cc1N)Cl 62a_200025704644_100000761886 [1,1,0,0,0,0|1,1,0]=4 3787 B10R1.25 [13CH3]Sc1ccc(cc1N)F 62a_100000687223_200025704644 [1,1,0,0,0,0|1,1,0]=4 3788 B10R1.25 [13CH3]Sc1ccc(cc1N)F 62a_200025704644_100000687223 [1,1,0,0,0,0|1,1,0]=4 3789 B10R1.25 [13CH3]Sc1ccc(cc1N)N 62a_200012175722_200025704644 [1,1,0,0,0,0|1,1,0]=4 3790 B10R1.25 [13CH3]Sc1ccc(cc1N)N 62a_200025704644_200012175722 [1,1,0,0,0,0|1,1,0]=4 3791 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_100011999798_200025704644 [1,1,0,0,0,0|1,1,0]=4 3792 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_200025704644_100011999798 [1,1,0,0,0,0|1,1,0]=4 3793 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_100012344904_200025704644 [1,1,0,0,0,0|0,1,1]=4 3794 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_200025704644_100012344904 [1,1,0,0,0,0|0,1,1]=4 3795 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_100000050036_200025704644 [1,1,0,0,0,0|0,1,1]=4 3796 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_200025704644_100000050036 [1,1,0,0,0,0|0,1,1]=4 3797 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_100000690578_200025704644 [1,1,0,0,0,0|0,1,1]=4 3798 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_200025704644_100000690578 [1,1,0,0,0,0|0,1,1]=4 3799 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,1,0,0,0,0|0,1,1]=4 3800 B10R1.30 C=Cc1cc(ccc1Br)Br 271570a_100011290941_100011483371 [1,1,0,0,0,0|2,0,0]=4 3801 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [1,1,0,0,0,0|2,0,0]=4 3802 B10R1.30 C=Cc1cc(ccc1Br)Cl 271570a_100011290941_100012339723 [1,1,0,0,0,0|2,0,0]=4 3803 B10R1.30 C=Cc1cc(ccc1Br)F 271570a_100011290941_100011217576 [1,1,0,0,0,0|2,0,0]=4 3804 B10R1.30 C=Cc1cc(ccc1Br)N 271570a_100011290941_100000750459 [1,1,0,0,0,0|2,0,0]=4 3805 B10R1.30 C=Cc1cc(ccc1Br)O 271570a_100011290941_100012339312 [1,1,0,0,0,0|2,0,0]=4 3806 B10R1.30 C=Cc1cc(ccc1C)Br 271570a_100011290941_100011344865 [1,1,0,0,0,0|1,0,0]=3 3807 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [1,1,0,0,0,0|1,0,0]=3 3808 B10R1.30 C=Cc1cc(ccc1C)Cl 271570a_100011290941_100011263213 [1,1,0,0,0,0|1,0,0]=3 3809 B10R1.30 C=Cc1cc(ccc1C)F 271570a_100011290941_100011218078 [1,1,0,0,0,0|1,0,0]=3 3810 B10R1.30 C=Cc1cc(ccc1C)N 271570a_100011290941_100000736455 [1,1,0,0,0,0|1,0,0]=3 3811 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [1,1,0,0,0,0|1,0,0]=3 3812 B10R1.30 C=Cc1cc(ccc1Cl)Br 271570a_100011290941_100011772130 [1,1,0,0,0,0|2,0,0]=4 3813 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [1,1,0,0,0,0|2,0,0]=4 3814 B10R1.30 C=Cc1cc(ccc1Cl)Cl 271570a_100011290941_100000707729 [1,1,0,0,0,0|2,0,0]=4 3815 B10R1.30 C=Cc1cc(ccc1Cl)F 271570a_100011290941_100011217299 [1,1,0,0,0,0|2,0,0]=4 3816 B10R1.30 C=Cc1cc(ccc1Cl)N 271570a_100011290941_100012360549 [1,1,0,0,0,0|2,0,0]=4 3817 B10R1.30 C=Cc1cc(ccc1Cl)O 271570a_100011290941_100000049588 [1,1,0,0,0,0|2,0,0]=4 3818 B10R1.30 C=Cc1cc(ccc1F)Br 271570a_100011290941_100011217312 [1,1,0,0,0,0|2,0,0]=4 3819 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [1,1,0,0,0,0|2,0,0]=4 3820 B10R1.30 C=Cc1cc(ccc1F)Cl 271570a_100011290941_100011218116 [1,1,0,0,0,0|2,0,0]=4 3821 B10R1.30 C=Cc1cc(ccc1F)F 271570a_100011290941_100000750033 [1,1,0,0,0,0|2,0,0]=4 3822 B10R1.30 C=Cc1cc(ccc1F)N 271570a_100011290941_100000760356 [1,1,0,0,0,0|2,0,0]=4 3823 B10R1.30 C=Cc1cc(ccc1F)O 271570a_100011290941_100000693481 [1,1,0,0,0,0|2,0,0]=4 3824 B10R1.30 C=Cc1cc(ccc1N)Br 271570a_100011290941_100000187925 [1,1,0,0,0,0|2,0,0]=4 3825 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [1,1,0,0,0,0|2,0,0]=4 3826 B10R1.30 C=Cc1cc(ccc1N)Cl 271570a_100011290941_100000761889 [1,1,0,0,0,0|2,0,0]=4 3827 B10R1.30 C=Cc1cc(ccc1N)F 271570a_100011290941_100000760547 [1,1,0,0,0,0|2,0,0]=4 3828 B10R1.30 C=Cc1cc(ccc1N)N 271570a_100011290941_100011534242 [1,1,0,0,0,0|2,0,0]=4 3829 B10R1.30 C=Cc1cc(ccc1N)O 271570a_100011290941_100012001276 [1,1,0,0,0,0|2,0,0]=4 3830 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [1,1,0,0,0,0|1,0,0]=3 3831 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,1,0,0,0,0|1,0,0]=3 3832 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [1,1,0,0,0,0|1,0,0]=3 3833 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [1,1,0,0,0,0|1,0,0]=3 3834 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [1,1,0,0,0,0|1,0,0]=3 3835 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,1,0,0,0,0|1,0,0]=3 3836 B10R1.30 C=Cc1cc(cnc1C)Br 271570a_100011290941_200010090566 [1,1,0,0,0,0|2,0,0]=4 3837 B10R1.30 C=Cc1cc(cnc1C)C 271570a_100011290941_100009817436 [1,1,0,0,0,0|2,0,0]=4 3838 B10R1.30 C=Cc1cc(cnc1C)F 271570a_100011290941_100009860710 [1,1,0,0,0,0|2,0,0]=4 3839 B10R1.30 C=Cc1cc(cnc1C)N 271570a_100011290941_100011998591 [1,1,0,0,0,0|2,0,0]=4 3840 B10R1.30 C=Cc1cc(cnc1C)O 271570a_100011290941_100009819603 [1,1,0,0,0,0|2,0,0]=4 3841 B10R1.30 C=Cc1cc(cnc1O)Br 271570a_100011290941_100010197142 [1,1,0,0,0,0|2,0,0]=4 3842 B10R1.30 C=Cc1cc(cnc1O)C 271570a_100011290941_100000049931 [1,1,0,0,0,0|2,0,0]=4 3843 B10R1.30 C=Cc1cc(cnc1O)Cl 271570a_100011290941_100010188700 [1,1,0,0,0,0|2,0,0]=4 3844 B10R1.30 C=Cc1cc(ncc1C)Br 271570a_100011290941_100010067628 [1,1,0,0,0,0|2,0,0]=4 3845 B10R1.30 C=Cc1cc(ncc1C)C 271570a_100011290941_100009862788 [1,1,0,0,0,0|2,0,0]=4 3846 B10R1.30 C=Cc1cc(ncc1C)Cl 271570a_100011290941_100010068021 [1,1,0,0,0,0|2,0,0]=4 3847 B10R1.30 C=Cc1cc(ncc1C)F 271570a_100011290941_100000049870 [1,1,0,0,0,0|2,0,0]=4 3848 B10R1.30 C=Cc1cc(ncc1C)N 271570a_100011290941_100009819938 [1,1,0,0,0,0|2,0,0]=4 3849 B10R1.30 C=Cc1cc(ncc1C)O 271570a_100011290941_100009831917 [1,1,0,0,0,0|2,0,0]=4 3850 B10R1.30 C=Cc1cc(ncc1O)C 271570a_100011290941_100009843476 [1,1,0,0,0,0|2,0,0]=4 3851 B10R1.30 C=Cc1cc(ncc1O)Cl 271570a_100011290941_100000698892 [1,1,0,0,0,0|2,0,0]=4 3852 B10R1.30 C=Cc1nc(ccc1C)C 271570a_100011290941_100009854376 [1,1,0,0,0,0|2,0,0]=4 3853 B10R1.30 C=Cc1nc(ccc1C)N 271570a_100011290941_100000126722 [1,1,0,0,0,0|2,0,0]=4 3854 B10R1.30 C=Cc1nc(ccc1O)Br 271570a_100011290941_100010253912 [1,1,0,0,0,0|2,0,0]=4 3855 B10R1.30 C=Cc1nc(ccc1O)C 271570a_100011290941_100000702858 [1,1,0,0,0,0|2,0,0]=4 3856 B10R1.30 C=Cc1nc(ccc1O)Cl 271570a_100011290941_100000696390 [1,1,0,0,0,0|2,0,0]=4 3857 B10R1.30 C=Cc1nc(ccc1O)F 271570a_100011290941_100010382442 [1,1,0,0,0,0|2,0,0]=4 3858 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [1,1,0,0,0,0|2,0,0]=4 3859 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [1,1,0,0,0,0|2,0,0]=4 3860 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [1,1,0,0,0,0|2,0,0]=4 3861 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [1,1,0,0,0,0|1,0,1]=4 3862 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,1,0,0,0,0|1,0,1]=4 3863 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,1,0,0,0,0|1,0,1]=4 3864 B10R1.30 CCn1cc(ccc1=O)O 271570a_203496583355_100000231005 [1,1,0,0,0,0|2,0,0]=4 3865 B10R1.30 CNc1cc(ccc1Br)Br 34a_100000737762_200000210301 [1,1,0,0,0,0|2,0,0]=4 3866 B10R1.30 CNc1cc(ccc1Br)C 34a_100000745044_200000210301 [1,1,0,0,0,0|2,0,0]=4 3867 B10R1.30 CNc1cc(ccc1Br)Cl 34a_100000687073_200000210301 [1,1,0,0,0,0|2,0,0]=4 3868 B10R1.30 CNc1cc(ccc1Br)F 34a_100000687223_200000210301 [1,1,0,0,0,0|2,0,0]=4 3869 B10R1.30 CNc1cc(ccc1Br)O 34a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 3870 B10R1.30 CNc1cc(ccc1C)Br 34a_100000741167_200000210301 [1,1,0,0,0,0|1,0,1]=4 3871 B10R1.30 CNc1cc(ccc1C)Br 7a_100000741167_200000210301 [1,1,0,0,0,0|1,0,1]=4 3872 B10R1.30 CNc1cc(ccc1C)C 2230a_100000185781_200000210301 [1,1,0,0,0,0|1,0,1]=4 3873 B10R1.30 CNc1cc(ccc1C)C 34a_100000185781_200000210301 [1,1,0,0,0,0|1,0,1]=4 3874 B10R1.30 CNc1cc(ccc1C)C 7a_100000185781_200000210301 [1,1,0,0,0,0|1,0,1]=4 3875 B10R1.30 CNc1cc(ccc1C)Cl 34a_100000211374_200000210301 [1,1,0,0,0,0|1,0,1]=4 3876 B10R1.30 CNc1cc(ccc1C)Cl 7a_100000211374_200000210301 [1,1,0,0,0,0|1,0,1]=4 3877 B10R1.30 CNc1cc(ccc1C)F 34a_100000211107_200000210301 [1,1,0,0,0,0|1,0,1]=4 3878 B10R1.30 CNc1cc(ccc1C)F 7a_100000211107_200000210301 [1,1,0,0,0,0|1,0,1]=4 3879 B10R1.30 CNc1cc(ccc1C)I 7a_100000761890_200000210301 [1,1,0,0,0,0|1,0,1]=4 3880 B10R1.30 CNc1cc(ccc1C)O 271570a_203496583355_100020629602 [1,1,0,0,0,0|1,0,1]=4 3881 B10R1.30 CNc1cc(ccc1C)O 34a_100011216113_200000210301 [1,1,0,0,0,0|1,0,1]=4 3882 B10R1.30 CNc1cc(ccc1Cl)Br 34a_100000750497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3883 B10R1.30 CNc1cc(ccc1Cl)C 34a_100011215360_200000210301 [1,1,0,0,0,0|2,0,0]=4 3884 B10R1.30 CNc1cc(ccc1Cl)Cl 34a_100000184485_200000210301 [1,1,0,0,0,0|2,0,0]=4 3885 B10R1.30 CNc1cc(ccc1Cl)F 34a_100000751338_200000210301 [1,1,0,0,0,0|2,0,0]=4 3886 B10R1.30 CNc1cc(ccc1Cl)I 34a_200000761891_200000210301 [1,1,0,0,0,0|2,0,0]=4 3887 B10R1.30 CNc1cc(ccc1Cl)O 34a_100011934297_200000210301 [1,1,0,0,0,0|2,0,0]=4 3888 B10R1.30 CNc1cc(ccc1F)Br 34a_100000740924_200000210301 [1,1,0,0,0,0|2,0,0]=4 3889 B10R1.30 CNc1cc(ccc1F)C 34a_100000211285_200000210301 [1,1,0,0,0,0|2,0,0]=4 3890 B10R1.30 CNc1cc(ccc1F)Cl 34a_100000212115_200000210301 [1,1,0,0,0,0|2,0,0]=4 3891 B10R1.30 CNc1cc(ccc1F)F 34a_100000210742_200000210301 [1,1,0,0,0,0|2,0,0]=4 3892 B10R1.30 CNc1cc(ccc1F)I 34a_100011464823_200000210301 [1,1,0,0,0,0|2,0,0]=4 3893 B10R1.30 CNc1cc(ccc1F)O 271570a_203496583355_100011314990 [1,1,0,0,0,0|2,0,0]=4 3894 B10R1.30 CNc1cc(ccc1F)O 34a_100012017239_200000210301 [1,1,0,0,0,0|2,0,0]=4 3895 B10R1.30 CNc1cc(ccc1I)Br 34a_100000743836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3896 B10R1.30 CNc1cc(ccc1I)C 34a_100011216686_200000210301 [1,1,0,0,0,0|2,0,0]=4 3897 B10R1.30 CNc1cc(ccc1I)Cl 34a_100000761886_200000210301 [1,1,0,0,0,0|2,0,0]=4 3898 B10R1.30 CNc1cc(ccc1I)F 34a_100011218093_200000210301 [1,1,0,0,0,0|2,0,0]=4 3899 B10R1.30 CNc1cc(ccc1N)O 271570a_203496583355_100000694363 [1,1,0,0,0,0|2,0,0]=4 3900 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [1,1,0,0,0,0|1,0,1]=4 3901 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [1,1,0,0,0,0|1,0,1]=4 3902 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,1,0,0,0,0|1,0,1]=4 3903 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [1,1,0,0,0,0|1,0,1]=4 3904 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [1,1,0,0,0,0|1,0,1]=4 3905 B10R1.30 COc1cc(=O)[nH]cc1Cl 34a_100000069390_200000210301 [1,1,0,0,0,0|2,0,0]=4 3906 B10R1.30 COc1cc(c[nH]c1=O)O 271570a_203496583355_100010125397 [1,1,0,0,0,0|1,0,0]=3 3907 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [1,1,0,0,0,0|1,0,0]=3 3908 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [1,1,0,0,0,0|1,0,0]=3 3909 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [1,1,0,0,0,0|1,0,0]=3 3910 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [1,1,0,0,0,0|1,0,0]=3 3911 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [1,1,0,0,0,0|1,0,0]=3 3912 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [1,1,0,0,0,0|1,0,0]=3 3913 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [1,1,0,0,0,0|1,0,0]=3 3914 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [1,1,0,0,0,0|1,0,0]=3 3915 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [1,1,0,0,0,0|1,0,0]=3 3916 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [1,1,0,0,0,0|1,0,0]=3 3917 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [1,1,0,0,0,0|1,0,0]=3 3918 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [1,1,0,0,0,0|0,0,1]=3 3919 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [1,1,0,0,0,0|0,0,1]=3 3920 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [1,1,0,0,0,0|0,0,1]=3 3921 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [1,1,0,0,0,0|0,0,1]=3 3922 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [1,1,0,0,0,0|0,0,1]=3 3923 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [1,1,0,0,0,0|0,0,1]=3 3924 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [1,1,0,0,0,0|0,0,1]=3 3925 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [1,1,0,0,0,0|0,0,1]=3 3926 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [1,1,0,0,0,0|0,0,1]=3 3927 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [1,1,0,0,0,0|0,0,1]=3 3928 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [1,1,0,0,0,0|0,0,1]=3 3929 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [1,1,0,0,0,0|0,0,1]=3 3930 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [1,1,0,0,0,0|1,0,0]=3 3931 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [1,1,0,0,0,0|1,0,0]=3 3932 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [1,1,0,0,0,0|1,0,0]=3 3933 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [1,1,0,0,0,0|1,0,0]=3 3934 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [1,1,0,0,0,0|1,0,0]=3 3935 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [1,1,0,0,0,0|1,0,0]=3 3936 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [1,1,0,0,0,0|1,0,0]=3 3937 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [1,1,0,0,0,0|1,0,0]=3 3938 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [1,1,0,0,0,0|1,0,0]=3 3939 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [1,1,0,0,0,0|1,0,0]=3 3940 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [1,1,0,0,0,0|1,0,0]=3 3941 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [1,1,0,0,0,0|1,0,0]=3 3942 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [1,1,0,0,0,0|1,0,0]=3 3943 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [1,1,0,0,0,0|1,0,0]=3 3944 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [1,1,0,0,0,0|1,0,0]=3 3945 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [1,1,0,0,0,0|1,0,0]=3 3946 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [1,1,0,0,0,0|1,0,0]=3 3947 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [1,1,0,0,0,0|1,0,0]=3 3948 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [1,1,0,0,0,0|1,0,0]=3 3949 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [1,1,0,0,0,0|1,0,0]=3 3950 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3951 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3952 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [1,1,0,0,0,0|1,0,0]=3 3953 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [1,1,0,0,0,0|1,0,0]=3 3954 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [1,1,0,0,0,0|1,0,0]=3 3955 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [1,1,0,0,0,0|1,0,0]=3 3956 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [1,1,0,0,0,0|1,0,0]=3 3957 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3958 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3959 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [1,1,0,0,0,0|1,0,0]=3 3960 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [1,1,0,0,0,0|1,0,0]=3 3961 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [1,1,0,0,0,0|1,0,0]=3 3962 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [1,1,0,0,0,0|1,0,0]=3 3963 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [1,1,0,0,0,0|1,0,0]=3 3964 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [1,1,0,0,0,0|1,0,0]=3 3965 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [1,1,0,0,0,0|1,0,0]=3 3966 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [1,1,0,0,0,0|1,0,0]=3 3967 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [1,1,0,0,0,0|1,0,0]=3 3968 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [1,1,0,0,0,0|1,0,0]=3 3969 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3970 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3971 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [1,1,0,0,0,0|1,0,0]=3 3972 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [1,1,0,0,0,0|1,0,0]=3 3973 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,1,0,0,0,0|0,0,1]=3 3974 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,1,0,0,0,0|0,0,1]=3 3975 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,1,0,0,0,0|0,0,1]=3 3976 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,1,0,0,0,0|0,0,1]=3 3977 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,1,0,0,0,0|0,0,1]=3 3978 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,1,0,0,0,0|0,0,1]=3 3979 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,1,0,0,0,0|0,0,1]=3 3980 B10R1.30 COc1cc(cnc1Br)Cl 34a_100000697010_200000210301 [1,1,0,0,0,0|2,0,0]=4 3981 B10R1.30 COc1cc(cnc1Br)Cl 7a_100000697010_200000210301 [1,1,0,0,0,0|2,0,0]=4 3982 B10R1.30 COc1cc(cnc1Br)F 34a_100009820119_200000210301 [1,1,0,0,0,0|2,0,0]=4 3983 B10R1.30 COc1cc(cnc1Br)F 7a_100009820119_200000210301 [1,1,0,0,0,0|2,0,0]=4 3984 B10R1.30 COc1cc(cnc1C)Br 34a_100009864810_200000210301 [1,1,0,0,0,0|1,0,1]=4 3985 B10R1.30 COc1cc(cnc1C)Br 7a_100009864810_200000210301 [1,1,0,0,0,0|1,0,1]=4 3986 B10R1.30 COc1cc(cnc1C)O 271570a_203496583355_100010254219 [1,1,0,0,0,0|1,0,1]=4 3987 B10R1.30 COc1cc(cnc1Cl)Br 34a_100012354860_200000210301 [1,1,0,0,0,0|2,0,0]=4 3988 B10R1.30 COc1cc(cnc1Cl)Br 7a_100012354860_200000210301 [1,1,0,0,0,0|2,0,0]=4 3989 B10R1.30 COc1cc(cnc1Cl)C 34a_100012000487_200000210301 [1,1,0,0,0,0|2,0,0]=4 3990 B10R1.30 COc1cc(cnc1Cl)C 7a_100012000487_200000210301 [1,1,0,0,0,0|2,0,0]=4 3991 B10R1.30 COc1cc(cnc1Cl)F 34a_100000079967_200000210301 [1,1,0,0,0,0|2,0,0]=4 3992 B10R1.30 COc1cc(cnc1Cl)F 7a_100000079967_200000210301 [1,1,0,0,0,0|2,0,0]=4 3993 B10R1.30 COc1cc(cnc1F)Br 34a_100009819871_200000210301 [1,1,0,0,0,0|2,0,0]=4 3994 B10R1.30 COc1cc(cnc1F)Br 7a_100009819871_200000210301 [1,1,0,0,0,0|2,0,0]=4 3995 B10R1.30 COc1cc(cnc1F)C 34a_100009849810_200000210301 [1,1,0,0,0,0|2,0,0]=4 3996 B10R1.30 COc1cc(cnc1F)C 7a_100009849810_200000210301 [1,1,0,0,0,0|2,0,0]=4 3997 B10R1.30 COc1cc(cnc1F)Cl 34a_100000094372_200000210301 [1,1,0,0,0,0|2,0,0]=4 3998 B10R1.30 COc1cc(cnc1F)Cl 7a_100000094372_200000210301 [1,1,0,0,0,0|2,0,0]=4 3999 B10R1.30 COc1cc(cnc1F)O 271570a_203496583355_100010214931 [1,1,0,0,0,0|2,0,0]=4 4000 B10R1.30 COc1cc(cnc1I)Br 34a_100010210634_200000210301 [1,1,0,0,0,0|2,0,0]=4 4001 B10R1.30 COc1cc(cnc1I)Br 7a_100010210634_200000210301 [1,1,0,0,0,0|2,0,0]=4 4002 B10R1.30 COc1cc(cnc1I)Cl 34a_100010233512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4003 B10R1.30 COc1cc(cnc1I)Cl 7a_100010233512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4004 B10R1.30 COc1cc(cnc1I)F 34a_100015624800_200000210301 [1,1,0,0,0,0|2,0,0]=4 4005 B10R1.30 COc1cc(cnc1I)F 7a_100015624800_200000210301 [1,1,0,0,0,0|2,0,0]=4 4006 B10R1.30 COc1cc(cnc1N)Br 34a_100009819042_200000210301 [1,1,0,0,0,0|2,0,0]=4 4007 B10R1.30 COc1cc(cnc1N)Br 7a_100009819042_200000210301 [1,1,0,0,0,0|2,0,0]=4 4008 B10R1.30 COc1cc(cnc1N)Cl 34a_100000123674_200000210301 [1,1,0,0,0,0|2,0,0]=4 4009 B10R1.30 COc1cc(cnc1N)Cl 7a_100000123674_200000210301 [1,1,0,0,0,0|2,0,0]=4 4010 B10R1.30 COc1cc(cnc1N)F 34a_100000094369_200000210301 [1,1,0,0,0,0|2,0,0]=4 4011 B10R1.30 COc1cc(cnc1N)F 7a_100000094369_200000210301 [1,1,0,0,0,0|2,0,0]=4 4012 B10R1.30 COc1cc(cnc1N)O 271570a_203496583355_106354213024 [1,1,0,0,0,0|2,0,0]=4 4013 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [1,1,0,0,0,0|1,0,1]=4 4014 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [1,1,0,0,0,0|1,0,1]=4 4015 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [1,1,0,0,0,0|1,0,1]=4 4016 B10R1.30 COc1cc(ncc1Br)Br 34a_100010235016_200000210301 [1,1,0,0,0,0|2,0,0]=4 4017 B10R1.30 COc1cc(ncc1Br)C 34a_100011016184_200000210301 [1,1,0,0,0,0|2,0,0]=4 4018 B10R1.30 COc1cc(ncc1Br)Cl 34a_100010173860_200000210301 [1,1,0,0,0,0|2,0,0]=4 4019 B10R1.30 COc1cc(ncc1C)Br 34a_100000704368_200000210301 [1,1,0,0,0,0|1,0,1]=4 4020 B10R1.30 COc1cc(ncc1C)Br 7a_100000704368_200000210301 [1,1,0,0,0,0|1,0,1]=4 4021 B10R1.30 COc1cc(ncc1C)O 271570a_203496583355_100010067687 [1,1,0,0,0,0|1,0,1]=4 4022 B10R1.30 COc1cc(ncc1Cl)Br 34a_100010173861_200000210301 [1,1,0,0,0,0|2,0,0]=4 4023 B10R1.30 COc1cc(ncc1F)Br 34a_100009854642_200000210301 [1,1,0,0,0,0|2,0,0]=4 4024 B10R1.30 COc1cc(ncc1F)Cl 34a_100009851168_200000210301 [1,1,0,0,0,0|2,0,0]=4 4025 B10R1.30 COc1cc(ncc1F)O 271570a_203496583355_200010136270 [1,1,0,0,0,0|2,0,0]=4 4026 B10R1.30 COc1cc(ncc1N)O 271570a_203496583355_100009887741 [1,1,0,0,0,0|2,0,0]=4 4027 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [1,1,0,0,0,0|1,0,1]=4 4028 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [1,1,0,0,0,0|1,0,1]=4 4029 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [1,1,0,0,0,0|1,0,1]=4 4030 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [1,1,0,0,0,0|1,0,1]=4 4031 B10R1.30 COc1nc(ccc1Br)C 34a_100009817604_200000210301 [1,1,0,0,0,0|2,0,0]=4 4032 B10R1.30 COc1nc(ccc1F)Cl 34a_100010729010_200000210301 [1,1,0,0,0,0|2,0,0]=4 4033 B10R1.30 COc1nc(ccc1N)C 34a_100000687486_200000210301 [1,1,0,0,0,0|2,0,0]=4 4034 B10R1.30 COc1nc(ccc1N)O 271570a_203496583355_100000687816 [1,1,0,0,0,0|2,0,0]=4 4035 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [1,1,0,0,0,0|1,0,1]=4 4036 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [1,1,0,0,0,0|1,0,1]=4 4037 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [1,1,0,0,0,0|1,0,1]=4 4038 B10R1.30 CSc1cc(c[nH]c1=O)F 62a_100009817720_200000210301 [1,1,0,0,0,0|1,1,0]=4 4039 B10R1.30 CSc1cc(c[nH]c1=O)F 62a_200000210301_100009817720 [1,1,0,0,0,0|1,1,0]=4 4040 B10R1.30 CSc1cc(ccc1Br)Br 62a_100011483371_200000210301 [1,1,0,0,0,0|1,1,0]=4 4041 B10R1.30 CSc1cc(ccc1Br)Br 62a_200000210301_100011483371 [1,1,0,0,0,0|1,1,0]=4 4042 B10R1.30 CSc1cc(ccc1Br)C 62a_100012353751_200000210301 [1,1,0,0,0,0|1,1,0]=4 4043 B10R1.30 CSc1cc(ccc1Br)C 62a_200000210301_100012353751 [1,1,0,0,0,0|1,1,0]=4 4044 B10R1.30 CSc1cc(ccc1Br)Cl 62a_100012339723_200000210301 [1,1,0,0,0,0|1,1,0]=4 4045 B10R1.30 CSc1cc(ccc1Br)Cl 62a_200000210301_100012339723 [1,1,0,0,0,0|1,1,0]=4 4046 B10R1.30 CSc1cc(ccc1Br)F 62a_100011217576_200000210301 [1,1,0,0,0,0|1,1,0]=4 4047 B10R1.30 CSc1cc(ccc1Br)F 62a_200000210301_100011217576 [1,1,0,0,0,0|1,1,0]=4 4048 B10R1.30 CSc1cc(ccc1Br)N 62a_100000750459_200000210301 [1,1,0,0,0,0|1,1,0]=4 4049 B10R1.30 CSc1cc(ccc1Br)N 62a_200000210301_100000750459 [1,1,0,0,0,0|1,1,0]=4 4050 B10R1.30 CSc1cc(ccc1Br)O 62a_100012339312_200000210301 [1,1,0,0,0,0|1,1,0]=4 4051 B10R1.30 CSc1cc(ccc1Br)O 62a_200000210301_100012339312 [1,1,0,0,0,0|1,1,0]=4 4052 B10R1.30 CSc1cc(ccc1C)Br 62a_100011344865_200000210301 [1,1,0,0,0,0|0,1,1]=4 4053 B10R1.30 CSc1cc(ccc1C)Br 62a_200000210301_100011344865 [1,1,0,0,0,0|0,1,1]=4 4054 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [1,1,0,0,0,0|0,1,1]=4 4055 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [1,1,0,0,0,0|0,1,1]=4 4056 B10R1.30 CSc1cc(ccc1C)Cl 62a_100011263213_200000210301 [1,1,0,0,0,0|0,1,1]=4 4057 B10R1.30 CSc1cc(ccc1C)Cl 62a_200000210301_100011263213 [1,1,0,0,0,0|0,1,1]=4 4058 B10R1.30 CSc1cc(ccc1C)F 62a_100011218078_200000210301 [1,1,0,0,0,0|0,1,1]=4 4059 B10R1.30 CSc1cc(ccc1C)F 62a_200000210301_100011218078 [1,1,0,0,0,0|0,1,1]=4 4060 B10R1.30 CSc1cc(ccc1C)N 62a_100000736455_200000210301 [1,1,0,0,0,0|0,1,1]=4 4061 B10R1.30 CSc1cc(ccc1C)N 62a_200000210301_100000736455 [1,1,0,0,0,0|0,1,1]=4 4062 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [1,1,0,0,0,0|0,1,1]=4 4063 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [1,1,0,0,0,0|0,1,1]=4 4064 B10R1.30 CSc1cc(ccc1Cl)Br 62a_100011772130_200000210301 [1,1,0,0,0,0|1,1,0]=4 4065 B10R1.30 CSc1cc(ccc1Cl)Br 62a_200000210301_100011772130 [1,1,0,0,0,0|1,1,0]=4 4066 B10R1.30 CSc1cc(ccc1Cl)C 62a_100012356289_200000210301 [1,1,0,0,0,0|1,1,0]=4 4067 B10R1.30 CSc1cc(ccc1Cl)C 62a_200000210301_100012356289 [1,1,0,0,0,0|1,1,0]=4 4068 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_100000707729_200000210301 [1,1,0,0,0,0|1,1,0]=4 4069 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_200000210301_100000707729 [1,1,0,0,0,0|1,1,0]=4 4070 B10R1.30 CSc1cc(ccc1Cl)F 62a_100011217299_200000210301 [1,1,0,0,0,0|1,1,0]=4 4071 B10R1.30 CSc1cc(ccc1Cl)F 62a_200000210301_100011217299 [1,1,0,0,0,0|1,1,0]=4 4072 B10R1.30 CSc1cc(ccc1Cl)N 62a_100012360549_200000210301 [1,1,0,0,0,0|1,1,0]=4 4073 B10R1.30 CSc1cc(ccc1Cl)N 62a_200000210301_100012360549 [1,1,0,0,0,0|1,1,0]=4 4074 B10R1.30 CSc1cc(ccc1Cl)O 62a_100000049588_200000210301 [1,1,0,0,0,0|1,1,0]=4 4075 B10R1.30 CSc1cc(ccc1Cl)O 62a_200000210301_100000049588 [1,1,0,0,0,0|1,1,0]=4 4076 B10R1.30 CSc1cc(ccc1F)Br 62a_100011217312_200000210301 [1,1,0,0,0,0|1,1,0]=4 4077 B10R1.30 CSc1cc(ccc1F)Br 62a_200000210301_100011217312 [1,1,0,0,0,0|1,1,0]=4 4078 B10R1.30 CSc1cc(ccc1F)C 62a_100000736223_200000210301 [1,1,0,0,0,0|1,1,0]=4 4079 B10R1.30 CSc1cc(ccc1F)C 62a_200000210301_100000736223 [1,1,0,0,0,0|1,1,0]=4 4080 B10R1.30 CSc1cc(ccc1F)Cl 62a_100011218116_200000210301 [1,1,0,0,0,0|1,1,0]=4 4081 B10R1.30 CSc1cc(ccc1F)Cl 62a_200000210301_100011218116 [1,1,0,0,0,0|1,1,0]=4 4082 B10R1.30 CSc1cc(ccc1F)F 62a_100011219198_200000210301 [1,1,0,0,0,0|1,1,0]=4 4083 B10R1.30 CSc1cc(ccc1F)F 62a_200000210301_100011219198 [1,1,0,0,0,0|1,1,0]=4 4084 B10R1.30 CSc1cc(ccc1F)N 62a_100000760356_200000210301 [1,1,0,0,0,0|1,1,0]=4 4085 B10R1.30 CSc1cc(ccc1F)N 62a_200000210301_100000760356 [1,1,0,0,0,0|1,1,0]=4 4086 B10R1.30 CSc1cc(ccc1F)O 271570a_203496583355_100010341305 [1,1,0,0,0,0|1,1,0]=4 4087 B10R1.30 CSc1cc(ccc1F)O 62a_100000693481_200000210301 [1,1,0,0,0,0|1,1,0]=4 4088 B10R1.30 CSc1cc(ccc1F)O 62a_200000210301_100000693481 [1,1,0,0,0,0|1,1,0]=4 4089 B10R1.30 CSc1cc(ccc1N)Br 62a_100000187925_200000210301 [1,1,0,0,0,0|1,1,0]=4 4090 B10R1.30 CSc1cc(ccc1N)Br 62a_200000210301_100000187925 [1,1,0,0,0,0|1,1,0]=4 4091 B10R1.30 CSc1cc(ccc1N)C 62a_100011356834_200000210301 [1,1,0,0,0,0|1,1,0]=4 4092 B10R1.30 CSc1cc(ccc1N)C 62a_200000210301_100011356834 [1,1,0,0,0,0|1,1,0]=4 4093 B10R1.30 CSc1cc(ccc1N)Cl 62a_100000761889_200000210301 [1,1,0,0,0,0|1,1,0]=4 4094 B10R1.30 CSc1cc(ccc1N)Cl 62a_200000210301_100000761889 [1,1,0,0,0,0|1,1,0]=4 4095 B10R1.30 CSc1cc(ccc1N)F 62a_100000760547_200000210301 [1,1,0,0,0,0|1,1,0]=4 4096 B10R1.30 CSc1cc(ccc1N)F 62a_200000210301_100000760547 [1,1,0,0,0,0|1,1,0]=4 4097 B10R1.30 CSc1cc(ccc1N)N 62a_100011534242_200000210301 [1,1,0,0,0,0|1,1,0]=4 4098 B10R1.30 CSc1cc(ccc1N)N 62a_200000210301_100011534242 [1,1,0,0,0,0|1,1,0]=4 4099 B10R1.30 CSc1cc(ccc1N)O 62a_100012001276_200000210301 [1,1,0,0,0,0|1,1,0]=4 4100 B10R1.30 CSc1cc(ccc1N)O 62a_200000210301_100012001276 [1,1,0,0,0,0|1,1,0]=4 4101 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [1,1,0,0,0,0|0,1,1]=4 4102 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [1,1,0,0,0,0|0,1,1]=4 4103 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [1,1,0,0,0,0|0,1,1]=4 4104 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [1,1,0,0,0,0|0,1,1]=4 4105 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [1,1,0,0,0,0|0,1,1]=4 4106 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,1,0,0,0,0|0,1,1]=4 4107 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,1,0,0,0,0|0,1,1]=4 4108 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [1,1,0,0,0,0|0,1,1]=4 4109 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [1,1,0,0,0,0|0,1,1]=4 4110 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,1,0,0,0,0|0,1,1]=4 4111 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,1,0,0,0,0|0,1,1]=4 4112 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,1,0,0,0,0|0,1,1]=4 4113 B10R1.30 CSc1cn(ccc1=O)C 62a_100010750718_200000210301 [1,1,0,0,0,0|1,1,0]=4 4114 B10R1.30 CSc1cn(ccc1=O)C 62a_200000210301_100010750718 [1,1,0,0,0,0|1,1,0]=4 4115 B10R1.30 Cc1cc(c(cn1)Br)O[13CH3] 34a_100011016184_200025704644 [1,1,0,0,0,0|2,0,0]=4 4116 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [1,1,0,0,0,0|1,0,1]=4 4117 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,1,0,0,0,0|0,0,0]=2 4118 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,1,0,0,0,0|0,0,2]=4 4119 B10R1.30 Cc1ccc(c(c1)N[13CH3])Br 34a_100000745044_200025704644 [1,1,0,0,0,0|2,0,0]=4 4120 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 2230a_100000185781_200025704644 [1,1,0,0,0,0|1,0,1]=4 4121 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 34a_100000185781_200025704644 [1,1,0,0,0,0|1,0,1]=4 4122 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 7a_100000185781_200025704644 [1,1,0,0,0,0|1,0,1]=4 4123 B10R1.30 Cc1ccc(c(c1)N[13CH3])Cl 34a_100011215360_200025704644 [1,1,0,0,0,0|2,0,0]=4 4124 B10R1.30 Cc1ccc(c(c1)N[13CH3])F 34a_100000211285_200025704644 [1,1,0,0,0,0|2,0,0]=4 4125 B10R1.30 Cc1ccc(c(c1)N[13CH3])I 34a_100011216686_200025704644 [1,1,0,0,0,0|2,0,0]=4 4126 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [1,1,0,0,0,0|1,0,1]=4 4127 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [1,1,0,0,0,0|1,0,0]=3 4128 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [1,1,0,0,0,0|1,0,0]=3 4129 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [1,1,0,0,0,0|0,0,1]=3 4130 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [1,1,0,0,0,0|0,0,1]=3 4131 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [1,1,0,0,0,0|1,0,0]=3 4132 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [1,1,0,0,0,0|1,0,0]=3 4133 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [1,1,0,0,0,0|1,0,0]=3 4134 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [1,1,0,0,0,0|1,0,0]=3 4135 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [1,1,0,0,0,0|1,0,0]=3 4136 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [1,1,0,0,0,0|1,0,0]=3 4137 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_100012353751_200025704644 [1,1,0,0,0,0|1,1,0]=4 4138 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012353751 [1,1,0,0,0,0|1,1,0]=4 4139 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [1,1,0,0,0,0|0,1,1]=4 4140 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [1,1,0,0,0,0|0,1,1]=4 4141 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_100012356289_200025704644 [1,1,0,0,0,0|1,1,0]=4 4142 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100012356289 [1,1,0,0,0,0|1,1,0]=4 4143 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_100000736223_200025704644 [1,1,0,0,0,0|1,1,0]=4 4144 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000736223 [1,1,0,0,0,0|1,1,0]=4 4145 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_100011356834_200025704644 [1,1,0,0,0,0|1,1,0]=4 4146 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_200025704644_100011356834 [1,1,0,0,0,0|1,1,0]=4 4147 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [1,1,0,0,0,0|0,1,1]=4 4148 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [1,1,0,0,0,0|0,1,1]=4 4149 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [1,1,0,0,0,0|1,0,0]=3 4150 B10R1.30 Cc1ccc(c(n1)O[13CH3])Br 34a_100009817604_200025704644 [1,1,0,0,0,0|2,0,0]=4 4151 B10R1.30 Cc1ccc(c(n1)O[13CH3])N 34a_100000687486_200025704644 [1,1,0,0,0,0|2,0,0]=4 4152 B10R1.30 Cc1ccc(cc1C#N)O 271570a_203496583355_100000698047 [1,1,0,0,0,0|1,0,1]=4 4153 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,1,0,0,0,0|0,0,0]=2 4154 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [1,1,0,0,0,0|0,0,2]=4 4155 B10R1.30 Cc1ccc(cc1N[13CH3])Br 34a_100000741167_200025704644 [1,1,0,0,0,0|1,0,1]=4 4156 B10R1.30 Cc1ccc(cc1N[13CH3])Br 7a_100000741167_200025704644 [1,1,0,0,0,0|1,0,1]=4 4157 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 34a_100000211374_200025704644 [1,1,0,0,0,0|1,0,1]=4 4158 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 7a_100000211374_200025704644 [1,1,0,0,0,0|1,0,1]=4 4159 B10R1.30 Cc1ccc(cc1N[13CH3])F 34a_100000211107_200025704644 [1,1,0,0,0,0|1,0,1]=4 4160 B10R1.30 Cc1ccc(cc1N[13CH3])F 7a_100000211107_200025704644 [1,1,0,0,0,0|1,0,1]=4 4161 B10R1.30 Cc1ccc(cc1N[13CH3])I 7a_100000761890_200025704644 [1,1,0,0,0,0|1,0,1]=4 4162 B10R1.30 Cc1ccc(cc1N[13CH3])O 34a_100011216113_200025704644 [1,1,0,0,0,0|1,0,1]=4 4163 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [1,1,0,0,0,0|0,0,1]=3 4164 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [1,1,0,0,0,0|0,0,1]=3 4165 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [1,1,0,0,0,0|0,0,1]=3 4166 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [1,1,0,0,0,0|0,0,1]=3 4167 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [1,1,0,0,0,0|0,0,1]=3 4168 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [1,1,0,0,0,0|0,0,1]=3 4169 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [1,1,0,0,0,0|0,0,1]=3 4170 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [1,1,0,0,0,0|0,0,1]=3 4171 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [1,1,0,0,0,0|0,0,1]=3 4172 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_100011344865_200025704644 [1,1,0,0,0,0|0,1,1]=4 4173 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_200025704644_100011344865 [1,1,0,0,0,0|0,1,1]=4 4174 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_100011263213_200025704644 [1,1,0,0,0,0|0,1,1]=4 4175 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011263213 [1,1,0,0,0,0|0,1,1]=4 4176 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_100011218078_200025704644 [1,1,0,0,0,0|0,1,1]=4 4177 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_200025704644_100011218078 [1,1,0,0,0,0|0,1,1]=4 4178 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_100000736455_200025704644 [1,1,0,0,0,0|0,1,1]=4 4179 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_200025704644_100000736455 [1,1,0,0,0,0|0,1,1]=4 4180 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [1,1,0,0,0,0|0,1,1]=4 4181 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [1,1,0,0,0,0|0,1,1]=4 4182 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [1,1,0,0,0,0|1,0,0]=3 4183 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 34a_100012000487_200025704644 [1,1,0,0,0,0|2,0,0]=4 4184 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 7a_100012000487_200025704644 [1,1,0,0,0,0|2,0,0]=4 4185 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 34a_100009849810_200025704644 [1,1,0,0,0,0|2,0,0]=4 4186 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 7a_100009849810_200025704644 [1,1,0,0,0,0|2,0,0]=4 4187 B10R1.30 Cc1cnc(cc1O[13CH3])Br 34a_100000704368_200025704644 [1,1,0,0,0,0|1,0,1]=4 4188 B10R1.30 Cc1cnc(cc1O[13CH3])Br 7a_100000704368_200025704644 [1,1,0,0,0,0|1,0,1]=4 4189 B10R1.30 Cc1ncc(cc1O[13CH3])Br 34a_100009864810_200025704644 [1,1,0,0,0,0|1,0,1]=4 4190 B10R1.30 Cc1ncc(cc1O[13CH3])Br 7a_100009864810_200025704644 [1,1,0,0,0,0|1,0,1]=4 4191 B10R1.30 Cn1ccc(=O)c(c1)S[13CH3] 62a_100010750718_200025704644 [1,1,0,0,0,0|1,1,0]=4 4192 B10R1.30 Cn1ccc(=O)c(c1)S[13CH3] 62a_200025704644_100010750718 [1,1,0,0,0,0|1,1,0]=4 4193 B10R1.30 N#Cc1cc(ccc1O)Br 271570a_203496583355_100011219714 [1,1,0,0,0,0|1,0,1]=4 4194 B10R1.30 N#Cc1cc(ccc1O)Cl 271570a_203496583355_200011356825 [1,1,0,0,0,0|1,0,1]=4 4195 B10R1.30 N#Cc1cc(ccc1O)F 271570a_203496583355_100000747550 [1,1,0,0,0,0|1,0,1]=4 4196 B10R1.30 N#Cc1cc(ccc1O)N 271570a_203496583355_100011934039 [1,1,0,0,0,0|1,0,1]=4 4197 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [1,1,0,0,0,0|1,0,1]=4 4198 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [1,1,0,0,0,0|1,0,1]=4 4199 B10R1.30 NCc1cc(ccc1O)F 271570a_203496583355_100000742738 [1,1,0,0,0,0|1,0,1]=4 4200 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [1,1,0,0,0,0|1,0,1]=4 4201 B10R1.30 NNc1cc(ccc1O)F 271570a_203496583355_100012362518 [1,1,0,0,0,0|2,0,0]=4 4202 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [1,1,0,0,0,0|0,0,2]=4 4203 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [1,1,0,0,0,0|1,0,0]=3 4204 B10R1.30 Nc1ncc(cc1C=O)O 271570a_203496583355_100009814808 [1,1,0,0,0,0|2,0,0]=4 4205 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [1,1,0,0,0,0|1,0,0]=3 4206 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [1,1,0,0,0,0|1,0,0]=3 4207 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [1,1,0,0,0,0|1,0,0]=3 4208 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,1,0,0,0,0|0,0,0]=2 4209 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,1,0,0,0,0|0,0,0]=2 4210 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,1,0,0,0,0|0,0,0]=2 4211 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,1,0,0,0,0|0,0,0]=2 4212 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,1,0,0,0,0|0,0,0]=2 4213 B10R1.30 O=Cc1cc(cnc1F)O 271570a_203496583355_100009814789 [1,1,0,0,0,0|2,0,0]=4 4214 B10R1.30 O=Cc1cc(cnc1O)F 271570a_203496583355_100000079965 [1,1,0,0,0,0|1,0,0]=3 4215 B10R1.30 O=Cc1cc(ncc1F)O 271570a_203496583355_100000707870 [1,1,0,0,0,0|2,0,0]=4 4216 B10R1.30 O=Cc1nc(ccc1F)O 271570a_203496583355_100009814804 [1,1,0,0,0,0|2,0,0]=4 4217 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [1,1,0,0,0,0|0,0,2]=4 4218 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [1,1,0,0,0,0|0,0,2]=4 4219 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [1,1,0,0,0,0|0,0,2]=4 4220 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [1,1,0,0,0,0|0,0,2]=4 4221 B10R1.30 [13CH3]Nc1cc(ccc1Br)Br 34a_100000737762_200025704644 [1,1,0,0,0,0|2,0,0]=4 4222 B10R1.30 [13CH3]Nc1cc(ccc1Br)Cl 34a_100000687073_200025704644 [1,1,0,0,0,0|2,0,0]=4 4223 B10R1.30 [13CH3]Nc1cc(ccc1Br)F 34a_100000687223_200025704644 [1,1,0,0,0,0|2,0,0]=4 4224 B10R1.30 [13CH3]Nc1cc(ccc1Br)O 34a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 4225 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Br 34a_100000750497_200025704644 [1,1,0,0,0,0|2,0,0]=4 4226 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Cl 34a_100000184485_200025704644 [1,1,0,0,0,0|2,0,0]=4 4227 B10R1.30 [13CH3]Nc1cc(ccc1Cl)F 34a_100000751338_200025704644 [1,1,0,0,0,0|2,0,0]=4 4228 B10R1.30 [13CH3]Nc1cc(ccc1Cl)I 34a_200000761891_200025704644 [1,1,0,0,0,0|2,0,0]=4 4229 B10R1.30 [13CH3]Nc1cc(ccc1Cl)O 34a_100011934297_200025704644 [1,1,0,0,0,0|2,0,0]=4 4230 B10R1.30 [13CH3]Nc1cc(ccc1F)Br 34a_100000740924_200025704644 [1,1,0,0,0,0|2,0,0]=4 4231 B10R1.30 [13CH3]Nc1cc(ccc1F)Cl 34a_100000212115_200025704644 [1,1,0,0,0,0|2,0,0]=4 4232 B10R1.30 [13CH3]Nc1cc(ccc1F)F 34a_100000210742_200025704644 [1,1,0,0,0,0|2,0,0]=4 4233 B10R1.30 [13CH3]Nc1cc(ccc1F)I 34a_100011464823_200025704644 [1,1,0,0,0,0|2,0,0]=4 4234 B10R1.30 [13CH3]Nc1cc(ccc1F)O 34a_100012017239_200025704644 [1,1,0,0,0,0|2,0,0]=4 4235 B10R1.30 [13CH3]Nc1cc(ccc1I)Br 34a_100000743836_200025704644 [1,1,0,0,0,0|2,0,0]=4 4236 B10R1.30 [13CH3]Nc1cc(ccc1I)Cl 34a_100000761886_200025704644 [1,1,0,0,0,0|2,0,0]=4 4237 B10R1.30 [13CH3]Nc1cc(ccc1I)F 34a_100011218093_200025704644 [1,1,0,0,0,0|2,0,0]=4 4238 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [1,1,0,0,0,0|1,0,1]=4 4239 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,1,0,0,0,0|1,0,1]=4 4240 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [1,1,0,0,0,0|1,0,1]=4 4241 B10R1.30 [13CH3]Oc1cc(=O)[nH]cc1Cl 34a_100000069390_200025704644 [1,1,0,0,0,0|2,0,0]=4 4242 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [1,1,0,0,0,0|1,0,0]=3 4243 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [1,1,0,0,0,0|1,0,0]=3 4244 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [1,1,0,0,0,0|1,0,0]=3 4245 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [1,1,0,0,0,0|1,0,0]=3 4246 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [1,1,0,0,0,0|1,0,0]=3 4247 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [1,1,0,0,0,0|1,0,0]=3 4248 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [1,1,0,0,0,0|1,0,0]=3 4249 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [1,1,0,0,0,0|1,0,0]=3 4250 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [1,1,0,0,0,0|1,0,0]=3 4251 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [1,1,0,0,0,0|1,0,0]=3 4252 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [1,1,0,0,0,0|1,0,0]=3 4253 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [1,1,0,0,0,0|1,0,0]=3 4254 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [1,1,0,0,0,0|1,0,0]=3 4255 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [1,1,0,0,0,0|1,0,0]=3 4256 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [1,1,0,0,0,0|1,0,0]=3 4257 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [1,1,0,0,0,0|1,0,0]=3 4258 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [1,1,0,0,0,0|1,0,0]=3 4259 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [1,1,0,0,0,0|1,0,0]=3 4260 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [1,1,0,0,0,0|1,0,0]=3 4261 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [1,1,0,0,0,0|1,0,0]=3 4262 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [1,1,0,0,0,0|1,0,0]=3 4263 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [1,1,0,0,0,0|1,0,0]=3 4264 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [1,1,0,0,0,0|1,0,0]=3 4265 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [1,1,0,0,0,0|1,0,0]=3 4266 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [1,1,0,0,0,0|1,0,0]=3 4267 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [1,1,0,0,0,0|1,0,0]=3 4268 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [1,1,0,0,0,0|1,0,0]=3 4269 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [1,1,0,0,0,0|1,0,0]=3 4270 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [1,1,0,0,0,0|1,0,0]=3 4271 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4272 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4273 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [1,1,0,0,0,0|1,0,0]=3 4274 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [1,1,0,0,0,0|1,0,0]=3 4275 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [1,1,0,0,0,0|1,0,0]=3 4276 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [1,1,0,0,0,0|1,0,0]=3 4277 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [1,1,0,0,0,0|1,0,0]=3 4278 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [1,1,0,0,0,0|1,0,0]=3 4279 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [1,1,0,0,0,0|1,0,0]=3 4280 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [1,1,0,0,0,0|1,0,0]=3 4281 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [1,1,0,0,0,0|1,0,0]=3 4282 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [1,1,0,0,0,0|1,0,0]=3 4283 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [1,1,0,0,0,0|1,0,0]=3 4284 B10R1.30 [13CH3]Oc1cc(cnc1Br)Cl 34a_100000697010_200025704644 [1,1,0,0,0,0|2,0,0]=4 4285 B10R1.30 [13CH3]Oc1cc(cnc1Br)Cl 7a_100000697010_200025704644 [1,1,0,0,0,0|2,0,0]=4 4286 B10R1.30 [13CH3]Oc1cc(cnc1Br)F 34a_100009820119_200025704644 [1,1,0,0,0,0|2,0,0]=4 4287 B10R1.30 [13CH3]Oc1cc(cnc1Br)F 7a_100009820119_200025704644 [1,1,0,0,0,0|2,0,0]=4 4288 B10R1.30 [13CH3]Oc1cc(cnc1Cl)Br 34a_100012354860_200025704644 [1,1,0,0,0,0|2,0,0]=4 4289 B10R1.30 [13CH3]Oc1cc(cnc1Cl)Br 7a_100012354860_200025704644 [1,1,0,0,0,0|2,0,0]=4 4290 B10R1.30 [13CH3]Oc1cc(cnc1Cl)F 34a_100000079967_200025704644 [1,1,0,0,0,0|2,0,0]=4 4291 B10R1.30 [13CH3]Oc1cc(cnc1Cl)F 7a_100000079967_200025704644 [1,1,0,0,0,0|2,0,0]=4 4292 B10R1.30 [13CH3]Oc1cc(cnc1F)Br 34a_100009819871_200025704644 [1,1,0,0,0,0|2,0,0]=4 4293 B10R1.30 [13CH3]Oc1cc(cnc1F)Br 7a_100009819871_200025704644 [1,1,0,0,0,0|2,0,0]=4 4294 B10R1.30 [13CH3]Oc1cc(cnc1F)Cl 34a_100000094372_200025704644 [1,1,0,0,0,0|2,0,0]=4 4295 B10R1.30 [13CH3]Oc1cc(cnc1F)Cl 7a_100000094372_200025704644 [1,1,0,0,0,0|2,0,0]=4 4296 B10R1.30 [13CH3]Oc1cc(cnc1I)Br 34a_100010210634_200025704644 [1,1,0,0,0,0|2,0,0]=4 4297 B10R1.30 [13CH3]Oc1cc(cnc1I)Br 7a_100010210634_200025704644 [1,1,0,0,0,0|2,0,0]=4 4298 B10R1.30 [13CH3]Oc1cc(cnc1I)Cl 34a_100010233512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4299 B10R1.30 [13CH3]Oc1cc(cnc1I)Cl 7a_100010233512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4300 B10R1.30 [13CH3]Oc1cc(cnc1I)F 34a_100015624800_200025704644 [1,1,0,0,0,0|2,0,0]=4 4301 B10R1.30 [13CH3]Oc1cc(cnc1I)F 7a_100015624800_200025704644 [1,1,0,0,0,0|2,0,0]=4 4302 B10R1.30 [13CH3]Oc1cc(cnc1N)Br 34a_100009819042_200025704644 [1,1,0,0,0,0|2,0,0]=4 4303 B10R1.30 [13CH3]Oc1cc(cnc1N)Br 7a_100009819042_200025704644 [1,1,0,0,0,0|2,0,0]=4 4304 B10R1.30 [13CH3]Oc1cc(cnc1N)Cl 34a_100000123674_200025704644 [1,1,0,0,0,0|2,0,0]=4 4305 B10R1.30 [13CH3]Oc1cc(cnc1N)Cl 7a_100000123674_200025704644 [1,1,0,0,0,0|2,0,0]=4 4306 B10R1.30 [13CH3]Oc1cc(cnc1N)F 34a_100000094369_200025704644 [1,1,0,0,0,0|2,0,0]=4 4307 B10R1.30 [13CH3]Oc1cc(cnc1N)F 7a_100000094369_200025704644 [1,1,0,0,0,0|2,0,0]=4 4308 B10R1.30 [13CH3]Oc1cc(ncc1Br)Br 34a_100010235016_200025704644 [1,1,0,0,0,0|2,0,0]=4 4309 B10R1.30 [13CH3]Oc1cc(ncc1Br)Cl 34a_100010173860_200025704644 [1,1,0,0,0,0|2,0,0]=4 4310 B10R1.30 [13CH3]Oc1cc(ncc1Cl)Br 34a_100010173861_200025704644 [1,1,0,0,0,0|2,0,0]=4 4311 B10R1.30 [13CH3]Oc1cc(ncc1F)Br 34a_100009854642_200025704644 [1,1,0,0,0,0|2,0,0]=4 4312 B10R1.30 [13CH3]Oc1cc(ncc1F)Cl 34a_100009851168_200025704644 [1,1,0,0,0,0|2,0,0]=4 4313 B10R1.30 [13CH3]Oc1nc(ccc1F)Cl 34a_100010729010_200025704644 [1,1,0,0,0,0|2,0,0]=4 4314 B10R1.30 [13CH3]Sc1cc(c[nH]c1=O)F 62a_100009817720_200025704644 [1,1,0,0,0,0|1,1,0]=4 4315 B10R1.30 [13CH3]Sc1cc(c[nH]c1=O)F 62a_200025704644_100009817720 [1,1,0,0,0,0|1,1,0]=4 4316 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_100011483371_200025704644 [1,1,0,0,0,0|1,1,0]=4 4317 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_200025704644_100011483371 [1,1,0,0,0,0|1,1,0]=4 4318 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_100012339723_200025704644 [1,1,0,0,0,0|1,1,0]=4 4319 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_200025704644_100012339723 [1,1,0,0,0,0|1,1,0]=4 4320 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_100011217576_200025704644 [1,1,0,0,0,0|1,1,0]=4 4321 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_200025704644_100011217576 [1,1,0,0,0,0|1,1,0]=4 4322 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_100000750459_200025704644 [1,1,0,0,0,0|1,1,0]=4 4323 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_200025704644_100000750459 [1,1,0,0,0,0|1,1,0]=4 4324 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_100012339312_200025704644 [1,1,0,0,0,0|1,1,0]=4 4325 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_200025704644_100012339312 [1,1,0,0,0,0|1,1,0]=4 4326 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_100011772130_200025704644 [1,1,0,0,0,0|1,1,0]=4 4327 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_200025704644_100011772130 [1,1,0,0,0,0|1,1,0]=4 4328 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_100000707729_200025704644 [1,1,0,0,0,0|1,1,0]=4 4329 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_200025704644_100000707729 [1,1,0,0,0,0|1,1,0]=4 4330 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_100011217299_200025704644 [1,1,0,0,0,0|1,1,0]=4 4331 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_200025704644_100011217299 [1,1,0,0,0,0|1,1,0]=4 4332 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_100012360549_200025704644 [1,1,0,0,0,0|1,1,0]=4 4333 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_200025704644_100012360549 [1,1,0,0,0,0|1,1,0]=4 4334 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_100000049588_200025704644 [1,1,0,0,0,0|1,1,0]=4 4335 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_200025704644_100000049588 [1,1,0,0,0,0|1,1,0]=4 4336 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_100011217312_200025704644 [1,1,0,0,0,0|1,1,0]=4 4337 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_200025704644_100011217312 [1,1,0,0,0,0|1,1,0]=4 4338 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_100011218116_200025704644 [1,1,0,0,0,0|1,1,0]=4 4339 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_200025704644_100011218116 [1,1,0,0,0,0|1,1,0]=4 4340 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_100011219198_200025704644 [1,1,0,0,0,0|1,1,0]=4 4341 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_200025704644_100011219198 [1,1,0,0,0,0|1,1,0]=4 4342 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_100000760356_200025704644 [1,1,0,0,0,0|1,1,0]=4 4343 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_200025704644_100000760356 [1,1,0,0,0,0|1,1,0]=4 4344 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_100000693481_200025704644 [1,1,0,0,0,0|1,1,0]=4 4345 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_200025704644_100000693481 [1,1,0,0,0,0|1,1,0]=4 4346 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_100000187925_200025704644 [1,1,0,0,0,0|1,1,0]=4 4347 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_200025704644_100000187925 [1,1,0,0,0,0|1,1,0]=4 4348 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_100000761889_200025704644 [1,1,0,0,0,0|1,1,0]=4 4349 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_200025704644_100000761889 [1,1,0,0,0,0|1,1,0]=4 4350 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_100000760547_200025704644 [1,1,0,0,0,0|1,1,0]=4 4351 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_200025704644_100000760547 [1,1,0,0,0,0|1,1,0]=4 4352 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_100011534242_200025704644 [1,1,0,0,0,0|1,1,0]=4 4353 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_200025704644_100011534242 [1,1,0,0,0,0|1,1,0]=4 4354 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_100012001276_200025704644 [1,1,0,0,0,0|1,1,0]=4 4355 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_200025704644_100012001276 [1,1,0,0,0,0|1,1,0]=4 4356 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [1,1,0,0,0,0|0,1,1]=4 4357 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [1,1,0,0,0,0|0,1,1]=4 4358 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,1,0,0,0,0|0,1,1]=4 4359 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,1,0,0,0,0|0,1,1]=4 4360 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [1,1,0,0,0,0|0,1,1]=4 4361 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [1,1,0,0,0,0|0,1,1]=4 4362 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,1,0,0,0,0|0,1,1]=4 4363 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,1,0,0,0,0|0,1,1]=4 4364 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,1,0,0,0,0|0,1,1]=4 4365 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [1,1,0,0,0,0|2,0,0]=4 4366 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [1,1,0,0,0,0|2,0,0]=4 4367 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [1,1,0,0,0,0|2,0,0]=4 4368 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,1,0,0,0,0|2,0,0]=4 4369 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,1,0,0,0,0|1,0,0]=3 4370 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,1,0,0,0,0|2,0,0]=4 4371 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,1,0,0,0,0|2,0,0]=4 4372 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,1,0,0,0,0|2,0,0]=4 4373 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,1,0,0,0,0|1,0,0]=3 4374 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,1,0,0,0,0|2,0,0]=4 4375 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [1,1,0,0,0,0|2,0,0]=4 4376 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,1,0,0,0,0|2,0,0]=4 4377 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [1,1,0,0,0,0|2,0,0]=4 4378 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,1,0,0,0,0|2,0,0]=4 4379 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,1,0,0,0,0|2,0,0]=4 4380 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|1,0,0]=3 4381 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|0,0,0]=2 4382 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|1,0,0]=3 4383 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|1,0,0]=3 4384 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|1,0,0]=3 4385 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|0,0,0]=2 4386 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|0,0,0]=2 4387 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|0,0,1]=3 4388 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|1,0,0]=3 4389 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,1,0,0,0,0|1,0,0]=3 4390 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|1,0,0]=3 4391 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,1,0,0,0,0|1,0,0]=3 4392 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,1,0,0,0,0|2,0,0]=4 4393 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,1,0,0,0,0|1,0,1]=4 4394 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,1,0,0,0,0|1,0,1]=4 4395 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,1,0,0,0,0|0,0,2]=4 4396 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 4397 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 4398 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 4399 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 4400 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 4401 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 4402 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4403 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4404 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4405 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4406 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,1,0,0,0,0|1,0,1]=4 4407 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,1,0,0,0,0|1,0,1]=4 4408 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 4409 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 4410 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 4411 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 4412 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 4413 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 4414 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4415 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4416 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4417 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4418 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,1,0,0,0,0|1,0,1]=4 4419 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,1,0,0,0,0|1,0,0]=3 4420 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|0,0,0]=2 4421 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [1,1,0,0,0,0|1,0,1]=4 4422 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [1,1,0,0,0,0|1,0,1]=4 4423 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [1,1,0,0,0,0|1,0,1]=4 4424 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [1,1,0,0,0,0|1,0,1]=4 4425 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [1,1,0,0,0,0|1,0,1]=4 4426 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [1,1,0,0,0,0|1,0,1]=4 4427 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|0,0,0]=2 4428 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,1,0,0,0,0|1,0,0]=3 4429 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,1,0,0,0,0|1,0,0]=3 4430 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,1,0,0,0,0|1,0,0]=3 4431 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,1,0,0,0,0|1,0,0]=3 4432 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [1,1,0,0,0,0|2,0,0]=4 4433 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,1,0,0,0,0|1,0,1]=4 4434 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [1,1,0,0,0,0|1,0,1]=4 4435 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|1,0,0]=3 4436 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|1,0,0]=3 4437 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|1,0,0]=3 4438 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|1,0,0]=3 4439 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|0,0,0]=2 4440 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|0,0,1]=3 4441 B10R1.245 C=Cc1c(ccc[n+]1[O-])C 271570a_100011290941_100116209805 [1,1,0,0,0,0|2,0,0]=4 4442 B10R1.245 C=Cc1c(cccc1Br)Br 271570a_100011290941_100009994525 [1,1,0,0,0,0|2,0,0]=4 4443 B10R1.245 C=Cc1c(cccc1Br)Cl 271570a_100011290941_100010214488 [1,1,0,0,0,0|2,0,0]=4 4444 B10R1.245 C=Cc1c(cccc1Br)F 271570a_100011290941_100011219512 [1,1,0,0,0,0|2,0,0]=4 4445 B10R1.245 C=Cc1c(cccc1Br)N 271570a_100011290941_100020590159 [1,1,0,0,0,0|2,0,0]=4 4446 B10R1.245 C=Cc1c(cccc1Br)O 271570a_100011290941_100010187912 [1,1,0,0,0,0|1,0,0]=3 4447 B10R1.245 C=Cc1c(cccc1C)C 271570a_100011290941_100000033847 [1,1,0,0,0,0|1,0,0]=3 4448 B10R1.245 C=Cc1c(cccc1Cl)C 271570a_100011290941_100000043165 [1,1,0,0,0,0|1,0,0]=3 4449 B10R1.245 C=Cc1c(cccc1Cl)Cl 271570a_100011290941_100000034237 [1,1,0,0,0,0|2,0,0]=4 4450 B10R1.245 C=Cc1c(cccc1Cl)F 271570a_100011290941_100000050007 [1,1,0,0,0,0|2,0,0]=4 4451 B10R1.245 C=Cc1c(cccc1Cl)N 271570a_100011290941_100000049713 [1,1,0,0,0,0|2,0,0]=4 4452 B10R1.245 C=Cc1c(cccc1Cl)O 271570a_100011290941_100000050174 [1,1,0,0,0,0|1,0,0]=3 4453 B10R1.245 C=Cc1c(cccc1F)C 271570a_100011290941_100012349962 [1,1,0,0,0,0|1,0,0]=3 4454 B10R1.245 C=Cc1c(cccc1F)F 271570a_100011290941_100000693133 [1,1,0,0,0,0|2,0,0]=4 4455 B10R1.245 C=Cc1c(cccc1F)N 271570a_100011290941_100011934729 [1,1,0,0,0,0|2,0,0]=4 4456 B10R1.245 C=Cc1c(cccc1F)O 271570a_100011290941_100009820682 [1,1,0,0,0,0|1,0,0]=3 4457 B10R1.245 C=Cc1c(cccc1N)C 271570a_100011290941_100000684715 [1,1,0,0,0,0|1,0,0]=3 4458 B10R1.245 C=Cc1c(cccc1O)C 271570a_100011290941_100000686692 [1,1,0,0,0,0|1,0,0]=3 4459 B10R1.245 C=Cc1c(cccc1O)N 271570a_100011290941_100012183704 [1,1,0,0,0,0|1,0,0]=3 4460 B10R1.245 C=Cc1c(cccc1O)O 271570a_100011290941_100010205330 [1,1,0,0,0,0|1,0,0]=3 4461 B10R1.245 C=Cc1c(ccnc1C)C 271570a_100011290941_100012000501 [1,1,0,0,0,0|2,0,0]=4 4462 B10R1.245 C=Cc1c(ccnc1C)N 271570a_100011290941_100010243816 [1,1,0,0,0,0|2,0,0]=4 4463 B10R1.245 C=Cc1c(ccnc1F)C 271570a_100011290941_100009818256 [1,1,0,0,0,0|2,0,0]=4 4464 B10R1.245 C=Cc1c(ccnc1N)C 271570a_100011290941_100011998619 [1,1,0,0,0,0|2,0,0]=4 4465 B10R1.245 C=Cc1c(ccnc1O)C 271570a_100011290941_100012000493 [1,1,0,0,0,0|2,0,0]=4 4466 B10R1.245 C=Cc1c(ccnc1O)O 271570a_100011290941_200009817435 [1,1,0,0,0,0|2,0,0]=4 4467 B10R1.245 C=Cc1c(cncc1C)C 271570a_100011290941_100009817138 [1,1,0,0,0,0|2,0,0]=4 4468 B10R1.245 CNc1c(cccc1Br)Br 34a_100000690995_200000210301 [1,1,0,0,0,0|2,0,0]=4 4469 B10R1.245 CNc1c(cccc1Br)C 34a_100011834072_200000210301 [1,1,0,0,0,0|1,0,1]=4 4470 B10R1.245 CNc1c(cccc1Br)Cl 34a_100102946385_200000210301 [1,1,0,0,0,0|2,0,0]=4 4471 B10R1.245 CNc1c(cccc1Br)F 34a_100000684712_200000210301 [1,1,0,0,0,0|2,0,0]=4 4472 B10R1.245 CNc1c(cccc1Br)O 34a_100011934926_200000210301 [1,1,0,0,0,0|1,0,1]=4 4473 B10R1.245 CNc1c(cccc1C)C 34a_100000185769_200000210301 [1,1,0,0,0,0|1,0,1]=4 4474 B10R1.245 CNc1c(cccc1Cl)C 34a_100000756524_200000210301 [1,1,0,0,0,0|1,0,1]=4 4475 B10R1.245 CNc1c(cccc1Cl)Cl 34a_100000210028_200000210301 [1,1,0,0,0,0|2,0,0]=4 4476 B10R1.245 CNc1c(cccc1Cl)F 34a_100000760031_200000210301 [1,1,0,0,0,0|2,0,0]=4 4477 B10R1.245 CNc1c(cccc1Cl)O 34a_100012022510_200000210301 [1,1,0,0,0,0|1,0,1]=4 4478 B10R1.245 CNc1c(cccc1F)C 34a_100000766463_200000210301 [1,1,0,0,0,0|1,0,1]=4 4479 B10R1.245 CNc1c(cccc1F)F 2230a_100000210704_200000210301 [1,1,0,0,0,0|2,0,0]=4 4480 B10R1.245 CNc1c(cccc1F)F 34a_100000210704_200000210301 [1,1,0,0,0,0|2,0,0]=4 4481 B10R1.245 CNc1c(cccc1F)O 34a_100020591140_200000210301 [1,1,0,0,0,0|1,0,1]=4 4482 B10R1.245 CNc1c(cccc1I)F 34a_100000042321_200000210301 [1,1,0,0,0,0|2,0,0]=4 4483 B10R1.245 CNc1c(cccc1O)C 34a_100000743429_200000210301 [1,1,0,0,0,0|1,0,1]=4 4484 B10R1.245 CNc1c(cccc1O)N 271570a_203496583355_100010510394 [1,1,0,0,0,0|1,0,1]=4 4485 B10R1.245 COc1c(cccc1Br)Br 34a_100000736428_200000210301 [1,1,0,0,0,0|1,0,0]=3 4486 B10R1.245 COc1c(cccc1Br)Br 7a_100000736428_200000210301 [1,1,0,0,0,0|1,0,0]=3 4487 B10R1.245 COc1c(cccc1Br)C 34a_100009817157_200000210301 [1,1,0,0,0,0|0,0,1]=3 4488 B10R1.245 COc1c(cccc1Br)C 7a_100009817157_200000210301 [1,1,0,0,0,0|0,0,1]=3 4489 B10R1.245 COc1c(cccc1Br)Cl 34a_100010214474_200000210301 [1,1,0,0,0,0|1,0,0]=3 4490 B10R1.245 COc1c(cccc1Br)Cl 7a_100010214474_200000210301 [1,1,0,0,0,0|1,0,0]=3 4491 B10R1.245 COc1c(cccc1Br)F 34a_100009813666_200000210301 [1,1,0,0,0,0|1,0,0]=3 4492 B10R1.245 COc1c(cccc1Br)F 7a_100009813666_200000210301 [1,1,0,0,0,0|1,0,0]=3 4493 B10R1.245 COc1c(cccc1Br)N 34a_100011934915_200000210301 [1,1,0,0,0,0|1,0,0]=3 4494 B10R1.245 COc1c(cccc1Br)O 271570a_203496583355_100010146560 [1,1,0,0,0,0|0,0,1]=3 4495 B10R1.245 COc1c(cccc1C)C 34a_100000210341_200000210301 [1,1,0,0,0,0|0,0,1]=3 4496 B10R1.245 COc1c(cccc1C)C 7a_100000210341_200000210301 [1,1,0,0,0,0|0,0,1]=3 4497 B10R1.245 COc1c(cccc1Cl)C 34a_100000033731_200000210301 [1,1,0,0,0,0|0,0,1]=3 4498 B10R1.245 COc1c(cccc1Cl)C 7a_100000033731_200000210301 [1,1,0,0,0,0|0,0,1]=3 4499 B10R1.245 COc1c(cccc1Cl)Cl 34a_100000211709_200000210301 [1,1,0,0,0,0|1,0,0]=3 4500 B10R1.245 COc1c(cccc1Cl)Cl 7a_100000211709_200000210301 [1,1,0,0,0,0|1,0,0]=3 4501 B10R1.245 COc1c(cccc1Cl)F 34a_100000694953_200000210301 [1,1,0,0,0,0|1,0,0]=3 4502 B10R1.245 COc1c(cccc1Cl)F 7a_100000694953_200000210301 [1,1,0,0,0,0|1,0,0]=3 4503 B10R1.245 COc1c(cccc1Cl)N 34a_100000754742_200000210301 [1,1,0,0,0,0|1,0,0]=3 4504 B10R1.245 COc1c(cccc1Cl)O 271570a_203496583355_100010147678 [1,1,0,0,0,0|0,0,1]=3 4505 B10R1.245 COc1c(cccc1F)C 34a_100011659162_200000210301 [1,1,0,0,0,0|0,0,1]=3 4506 B10R1.245 COc1c(cccc1F)C 7a_100011659162_200000210301 [1,1,0,0,0,0|0,0,1]=3 4507 B10R1.245 COc1c(cccc1F)F 34a_100000230165_200000210301 [1,1,0,0,0,0|1,0,0]=3 4508 B10R1.245 COc1c(cccc1F)F 7a_100000230165_200000210301 [1,1,0,0,0,0|1,0,0]=3 4509 B10R1.245 COc1c(cccc1F)N 34a_100011934987_200000210301 [1,1,0,0,0,0|1,0,0]=3 4510 B10R1.245 COc1c(cccc1F)O 271570a_203496583355_100009816759 [1,1,0,0,0,0|0,0,1]=3 4511 B10R1.245 COc1c(cccc1I)Br 34a_100010084509_200000210301 [1,1,0,0,0,0|1,0,0]=3 4512 B10R1.245 COc1c(cccc1I)Br 7a_100010084509_200000210301 [1,1,0,0,0,0|1,0,0]=3 4513 B10R1.245 COc1c(cccc1I)Cl 34a_100010202889_200000210301 [1,1,0,0,0,0|1,0,0]=3 4514 B10R1.245 COc1c(cccc1I)Cl 7a_100010202889_200000210301 [1,1,0,0,0,0|1,0,0]=3 4515 B10R1.245 COc1c(cccc1I)F 34a_100010186298_200000210301 [1,1,0,0,0,0|1,0,0]=3 4516 B10R1.245 COc1c(cccc1I)F 7a_100010186298_200000210301 [1,1,0,0,0,0|1,0,0]=3 4517 B10R1.245 COc1c(cccc1I)N 34a_100010084371_200000210301 [1,1,0,0,0,0|1,0,0]=3 4518 B10R1.245 COc1c(cccc1N)C 34a_100000756359_200000210301 [1,1,0,0,0,0|0,0,1]=3 4519 B10R1.245 COc1c(cccc1N)C 7a_100000756359_200000210301 [1,1,0,0,0,0|0,0,1]=3 4520 B10R1.245 COc1c(cccc1N)N 34a_200016994477_200000210301 [1,1,0,0,0,0|1,0,0]=3 4521 B10R1.245 COc1c(cccc1O)C 271570a_203496583355_100010141385 [1,1,0,0,0,0|0,0,1]=3 4522 B10R1.245 COc1c(cccc1O)N 271570a_203496583355_100011935253 [1,1,0,0,0,0|0,0,1]=3 4523 B10R1.245 COc1c(cccc1O)O 271570a_203496583355_100010234590 [1,1,0,0,0,0|0,0,1]=3 4524 B10R1.245 COc1c(ccnc1C)C 34a_100011934651_200000210301 [1,1,0,0,0,0|1,0,1]=4 4525 B10R1.245 COc1c(ccnc1C)C 7a_100011934651_200000210301 [1,1,0,0,0,0|1,0,1]=4 4526 B10R1.245 COc1c(ccnc1C)O 271570a_203496583355_100000685116 [1,1,0,0,0,0|1,0,1]=4 4527 B10R1.245 COc1c(ccnc1Cl)C 34a_100000696282_200000210301 [1,1,0,0,0,0|1,0,1]=4 4528 B10R1.245 COc1c(ccnc1Cl)C 7a_100000696282_200000210301 [1,1,0,0,0,0|1,0,1]=4 4529 B10R1.245 COc1c(ccnc1Cl)Cl 34a_100000118450_200000210301 [1,1,0,0,0,0|2,0,0]=4 4530 B10R1.245 COc1c(ccnc1Cl)Cl 7a_100000118450_200000210301 [1,1,0,0,0,0|2,0,0]=4 4531 B10R1.245 COc1c(ccnc1Cl)F 34a_100009867227_200000210301 [1,1,0,0,0,0|2,0,0]=4 4532 B10R1.245 COc1c(ccnc1Cl)F 7a_100009867227_200000210301 [1,1,0,0,0,0|2,0,0]=4 4533 B10R1.245 COc1c(ccnc1Cl)I 34a_100010067911_200000210301 [1,1,0,0,0,0|2,0,0]=4 4534 B10R1.245 COc1c(ccnc1Cl)I 7a_100010067911_200000210301 [1,1,0,0,0,0|2,0,0]=4 4535 B10R1.245 COc1c(ccnc1Cl)N 34a_100009844647_200000210301 [1,1,0,0,0,0|2,0,0]=4 4536 B10R1.245 COc1c(ccnc1Cl)N 7a_100009844647_200000210301 [1,1,0,0,0,0|2,0,0]=4 4537 B10R1.245 COc1c(ccnc1Cl)O 271570a_203496583355_100010068014 [1,1,0,0,0,0|1,0,1]=4 4538 B10R1.245 COc1c(ccnc1N)O 271570a_203496583355_100009880012 [1,1,0,0,0,0|1,0,1]=4 4539 B10R1.245 COc1c(ccnc1O)N 271570a_203496583355_100000104429 [1,1,0,0,0,0|1,0,1]=4 4540 B10R1.245 COc1c(ccnc1O)O 271570a_203496583355_100000104430 [1,1,0,0,0,0|1,0,1]=4 4541 B10R1.245 COc1c(cncc1O)N 271570a_203496583355_100012359933 [1,1,0,0,0,0|1,0,1]=4 4542 B10R1.245 COc1c(occc1=O)C 34a_100000031901_200000210301 [1,1,0,0,0,0|1,0,0]=3 4543 B10R1.245 CSc1c(cccc1Br)Br 62a_100009994525_200000210301 [1,1,0,0,0,0|1,1,0]=4 4544 B10R1.245 CSc1c(cccc1Br)Br 62a_200000210301_100009994525 [1,1,0,0,0,0|1,1,0]=4 4545 B10R1.245 CSc1c(cccc1Br)C 62a_100010141302_200000210301 [1,1,0,0,0,0|0,1,1]=4 4546 B10R1.245 CSc1c(cccc1Br)C 62a_200000210301_100010141302 [1,1,0,0,0,0|0,1,1]=4 4547 B10R1.245 CSc1c(cccc1Br)Cl 62a_100010214488_200000210301 [1,1,0,0,0,0|1,1,0]=4 4548 B10R1.245 CSc1c(cccc1Br)Cl 62a_200000210301_100010214488 [1,1,0,0,0,0|1,1,0]=4 4549 B10R1.245 CSc1c(cccc1Br)F 62a_100011219512_200000210301 [1,1,0,0,0,0|1,1,0]=4 4550 B10R1.245 CSc1c(cccc1Br)F 62a_200000210301_100011219512 [1,1,0,0,0,0|1,1,0]=4 4551 B10R1.245 CSc1c(cccc1Br)N 62a_100020590159_200000210301 [1,1,0,0,0,0|1,1,0]=4 4552 B10R1.245 CSc1c(cccc1Br)N 62a_200000210301_100020590159 [1,1,0,0,0,0|1,1,0]=4 4553 B10R1.245 CSc1c(cccc1Br)O 62a_100010187912_200000210301 [1,1,0,0,0,0|0,1,1]=4 4554 B10R1.245 CSc1c(cccc1Br)O 62a_200000210301_100010187912 [1,1,0,0,0,0|0,1,1]=4 4555 B10R1.245 CSc1c(cccc1C)C 62a_100000033847_200000210301 [1,1,0,0,0,0|0,1,1]=4 4556 B10R1.245 CSc1c(cccc1C)C 62a_200000210301_100000033847 [1,1,0,0,0,0|0,1,1]=4 4557 B10R1.245 CSc1c(cccc1Cl)C 62a_100000043165_200000210301 [1,1,0,0,0,0|0,1,1]=4 4558 B10R1.245 CSc1c(cccc1Cl)C 62a_200000210301_100000043165 [1,1,0,0,0,0|0,1,1]=4 4559 B10R1.245 CSc1c(cccc1Cl)Cl 62a_100000034237_200000210301 [1,1,0,0,0,0|1,1,0]=4 4560 B10R1.245 CSc1c(cccc1Cl)Cl 62a_200000210301_100000034237 [1,1,0,0,0,0|1,1,0]=4 4561 B10R1.245 CSc1c(cccc1Cl)F 62a_100000050007_200000210301 [1,1,0,0,0,0|1,1,0]=4 4562 B10R1.245 CSc1c(cccc1Cl)F 62a_200000210301_100000050007 [1,1,0,0,0,0|1,1,0]=4 4563 B10R1.245 CSc1c(cccc1Cl)N 62a_100000049713_200000210301 [1,1,0,0,0,0|1,1,0]=4 4564 B10R1.245 CSc1c(cccc1Cl)N 62a_200000210301_100000049713 [1,1,0,0,0,0|1,1,0]=4 4565 B10R1.245 CSc1c(cccc1Cl)O 62a_200000210301_100000050174 [1,1,0,0,0,0|0,1,1]=4 4566 B10R1.245 CSc1c(cccc1F)C 62a_100011218421_200000210301 [1,1,0,0,0,0|0,1,1]=4 4567 B10R1.245 CSc1c(cccc1F)C 62a_200000210301_100011218421 [1,1,0,0,0,0|0,1,1]=4 4568 B10R1.245 CSc1c(cccc1F)F 62a_100000693133_200000210301 [1,1,0,0,0,0|1,1,0]=4 4569 B10R1.245 CSc1c(cccc1F)F 62a_200000210301_100000693133 [1,1,0,0,0,0|1,1,0]=4 4570 B10R1.245 CSc1c(cccc1F)N 62a_100000690935_200000210301 [1,1,0,0,0,0|1,1,0]=4 4571 B10R1.245 CSc1c(cccc1F)N 62a_200000210301_100000690935 [1,1,0,0,0,0|1,1,0]=4 4572 B10R1.245 CSc1c(cccc1F)O 271570a_203496583355_200010709249 [1,1,0,0,0,0|0,1,1]=4 4573 B10R1.245 CSc1c(cccc1F)O 62a_100009820682_200000210301 [1,1,0,0,0,0|0,1,1]=4 4574 B10R1.245 CSc1c(cccc1F)O 62a_200000210301_100009820682 [1,1,0,0,0,0|0,1,1]=4 4575 B10R1.245 CSc1c(cccc1N)C 62a_100000684715_200000210301 [1,1,0,0,0,0|0,1,1]=4 4576 B10R1.245 CSc1c(cccc1N)C 62a_200000210301_100000684715 [1,1,0,0,0,0|0,1,1]=4 4577 B10R1.245 CSc1c(cccc1O)C 62a_100000686692_200000210301 [1,1,0,0,0,0|0,1,1]=4 4578 B10R1.245 CSc1c(cccc1O)C 62a_200000210301_100000686692 [1,1,0,0,0,0|0,1,1]=4 4579 B10R1.245 CSc1c(cccc1O)N 62a_100012183704_200000210301 [1,1,0,0,0,0|0,1,1]=4 4580 B10R1.245 CSc1c(cccc1O)N 62a_200000210301_100012183704 [1,1,0,0,0,0|0,1,1]=4 4581 B10R1.245 CSc1c(cccc1O)O 62a_200000210301_100010205330 [1,1,0,0,0,0|0,1,1]=4 4582 B10R1.245 Cc1cccc(c1C#N)O 271570a_203496583355_100009819585 [1,1,0,0,0,0|1,0,1]=4 4583 B10R1.245 Cc1cccc(c1C=O)O 271570a_203496583355_100000041122 [1,1,0,0,0,0|0,0,0]=2 4584 B10R1.245 Cc1cccc(c1N[13CH3])Br 34a_100011834072_200025704644 [1,1,0,0,0,0|1,0,1]=4 4585 B10R1.245 Cc1cccc(c1N[13CH3])C 34a_100000185769_200025704644 [1,1,0,0,0,0|1,0,1]=4 4586 B10R1.245 Cc1cccc(c1N[13CH3])Cl 34a_100000756524_200025704644 [1,1,0,0,0,0|1,0,1]=4 4587 B10R1.245 Cc1cccc(c1N[13CH3])F 34a_100000766463_200025704644 [1,1,0,0,0,0|1,0,1]=4 4588 B10R1.245 Cc1cccc(c1N[13CH3])O 34a_100000743429_200025704644 [1,1,0,0,0,0|1,0,1]=4 4589 B10R1.245 Cc1cccc(c1O[13CH3])Br 34a_100009817157_200025704644 [1,1,0,0,0,0|0,0,1]=3 4590 B10R1.245 Cc1cccc(c1O[13CH3])Br 7a_100009817157_200025704644 [1,1,0,0,0,0|0,0,1]=3 4591 B10R1.245 Cc1cccc(c1O[13CH3])C 34a_100000210341_200025704644 [1,1,0,0,0,0|0,0,1]=3 4592 B10R1.245 Cc1cccc(c1O[13CH3])C 7a_100000210341_200025704644 [1,1,0,0,0,0|0,0,1]=3 4593 B10R1.245 Cc1cccc(c1O[13CH3])Cl 34a_100000033731_200025704644 [1,1,0,0,0,0|0,0,1]=3 4594 B10R1.245 Cc1cccc(c1O[13CH3])Cl 7a_100000033731_200025704644 [1,1,0,0,0,0|0,0,1]=3 4595 B10R1.245 Cc1cccc(c1O[13CH3])F 34a_100011659162_200025704644 [1,1,0,0,0,0|0,0,1]=3 4596 B10R1.245 Cc1cccc(c1O[13CH3])F 7a_100011659162_200025704644 [1,1,0,0,0,0|0,0,1]=3 4597 B10R1.245 Cc1cccc(c1O[13CH3])N 34a_100000756359_200025704644 [1,1,0,0,0,0|0,0,1]=3 4598 B10R1.245 Cc1cccc(c1O[13CH3])N 7a_100000756359_200025704644 [1,1,0,0,0,0|0,0,1]=3 4599 B10R1.245 Cc1cccc(c1S[13CH3])Br 62a_100010141302_200025704644 [1,1,0,0,0,0|0,1,1]=4 4600 B10R1.245 Cc1cccc(c1S[13CH3])Br 62a_200025704644_100010141302 [1,1,0,0,0,0|0,1,1]=4 4601 B10R1.245 Cc1cccc(c1S[13CH3])C 62a_100000033847_200025704644 [1,1,0,0,0,0|0,1,1]=4 4602 B10R1.245 Cc1cccc(c1S[13CH3])C 62a_200025704644_100000033847 [1,1,0,0,0,0|0,1,1]=4 4603 B10R1.245 Cc1cccc(c1S[13CH3])Cl 62a_100000043165_200025704644 [1,1,0,0,0,0|0,1,1]=4 4604 B10R1.245 Cc1cccc(c1S[13CH3])Cl 62a_200025704644_100000043165 [1,1,0,0,0,0|0,1,1]=4 4605 B10R1.245 Cc1cccc(c1S[13CH3])F 62a_100011218421_200025704644 [1,1,0,0,0,0|0,1,1]=4 4606 B10R1.245 Cc1cccc(c1S[13CH3])F 62a_200025704644_100011218421 [1,1,0,0,0,0|0,1,1]=4 4607 B10R1.245 Cc1cccc(c1S[13CH3])N 62a_100000684715_200025704644 [1,1,0,0,0,0|0,1,1]=4 4608 B10R1.245 Cc1cccc(c1S[13CH3])N 62a_200025704644_100000684715 [1,1,0,0,0,0|0,1,1]=4 4609 B10R1.245 Cc1cccc(c1S[13CH3])O 62a_100000686692_200025704644 [1,1,0,0,0,0|0,1,1]=4 4610 B10R1.245 Cc1cccc(c1S[13CH3])O 62a_200025704644_100000686692 [1,1,0,0,0,0|0,1,1]=4 4611 B10R1.245 Cc1ccnc(c1O[13CH3])C 34a_100011934651_200025704644 [1,1,0,0,0,0|1,0,1]=4 4612 B10R1.245 Cc1ccnc(c1O[13CH3])C 7a_100011934651_200025704644 [1,1,0,0,0,0|1,0,1]=4 4613 B10R1.245 Cc1ccnc(c1O[13CH3])Cl 34a_100000696282_200025704644 [1,1,0,0,0,0|1,0,1]=4 4614 B10R1.245 Cc1ccnc(c1O[13CH3])Cl 7a_100000696282_200025704644 [1,1,0,0,0,0|1,0,1]=4 4615 B10R1.245 Cc1occc(=O)c1O[13CH3] 34a_100000031901_200025704644 [1,1,0,0,0,0|1,0,0]=3 4616 B10R1.245 N#Cc1c(cccc1Br)O 271570a_203496583355_100010071968 [1,1,0,0,0,0|1,0,1]=4 4617 B10R1.245 N#Cc1c(cccc1Cl)O 271570a_203496583355_200000049503 [1,1,0,0,0,0|1,0,1]=4 4618 B10R1.245 N#Cc1c(cccc1F)O 271570a_203496583355_100000699744 [1,1,0,0,0,0|1,0,1]=4 4619 B10R1.245 N#Cc1c(cccc1O)N 271570a_203496583355_100011935054 [1,1,0,0,0,0|1,0,1]=4 4620 B10R1.245 N#Cc1c(cccc1O)O 271570a_203496583355_100012180507 [1,1,0,0,0,0|1,0,1]=4 4621 B10R1.245 NCc1c(cccc1F)O 271570a_203496583355_100012349121 [1,1,0,0,0,0|1,0,1]=4 4622 B10R1.245 NNc1c(cccc1F)O 271570a_203496583355_100016994982 [1,1,0,0,0,0|2,0,0]=4 4623 B10R1.245 Nc1cccc(c1C=O)O 271570a_203496583355_100010232536 [1,1,0,0,0,0|0,0,0]=2 4624 B10R1.245 Nc1cccc(c1CO)O 271570a_203496583355_100000747656 [1,1,0,0,0,0|0,0,2]=4 4625 B10R1.245 Nc1nccc(c1C=O)O 271570a_203496583355_100009843235 [1,1,0,0,0,0|1,0,0]=3 4626 B10R1.245 Nc1ncnc(c1C=O)O 271570a_203496583355_100000765549 [1,1,0,0,0,0|2,0,0]=4 4627 B10R1.245 O=Cc1c(cccc1Cl)O 271570a_203496583355_100010147682 [1,1,0,0,0,0|0,0,0]=2 4628 B10R1.245 O=Cc1c(cccc1F)O 271570a_203496583355_100000210083 [1,1,0,0,0,0|0,0,0]=2 4629 B10R1.245 O=Cc1c(cccc1O)O 271570a_203496583355_100009814793 [1,1,0,0,0,0|0,0,0]=2 4630 B10R1.245 O=Cc1c(ccnc1Cl)O 271570a_203496583355_100000047006 [1,1,0,0,0,0|1,0,0]=3 4631 B10R1.245 O=Cc1c(ccnc1F)O 271570a_203496583355_100009828249 [1,1,0,0,0,0|1,0,0]=3 4632 B10R1.245 O=Cc1c(ccnc1O)O 271570a_203496583355_200010729673 [1,1,0,0,0,0|1,0,0]=3 4633 B10R1.245 O=Cc1c(cncc1F)O 271570a_203496583355_100010064882 [1,1,0,0,0,0|1,0,0]=3 4634 B10R1.245 OCc1c(cccc1F)O 271570a_203496583355_100012355691 [1,1,0,0,0,0|0,0,2]=4 4635 B10R1.245 [13CH3]Nc1c(cccc1Br)Br 34a_100000690995_200025704644 [1,1,0,0,0,0|2,0,0]=4 4636 B10R1.245 [13CH3]Nc1c(cccc1Br)Cl 34a_100102946385_200025704644 [1,1,0,0,0,0|2,0,0]=4 4637 B10R1.245 [13CH3]Nc1c(cccc1Br)F 34a_100000684712_200025704644 [1,1,0,0,0,0|2,0,0]=4 4638 B10R1.245 [13CH3]Nc1c(cccc1Br)O 34a_100011934926_200025704644 [1,1,0,0,0,0|1,0,1]=4 4639 B10R1.245 [13CH3]Nc1c(cccc1Cl)Cl 34a_100000210028_200025704644 [1,1,0,0,0,0|2,0,0]=4 4640 B10R1.245 [13CH3]Nc1c(cccc1Cl)F 34a_100000760031_200025704644 [1,1,0,0,0,0|2,0,0]=4 4641 B10R1.245 [13CH3]Nc1c(cccc1Cl)O 34a_100012022510_200025704644 [1,1,0,0,0,0|1,0,1]=4 4642 B10R1.245 [13CH3]Nc1c(cccc1F)F 2230a_100000210704_200025704644 [1,1,0,0,0,0|2,0,0]=4 4643 B10R1.245 [13CH3]Nc1c(cccc1F)F 34a_100000210704_200025704644 [1,1,0,0,0,0|2,0,0]=4 4644 B10R1.245 [13CH3]Nc1c(cccc1F)O 34a_100020591140_200025704644 [1,1,0,0,0,0|1,0,1]=4 4645 B10R1.245 [13CH3]Nc1c(cccc1I)F 34a_100000042321_200025704644 [1,1,0,0,0,0|2,0,0]=4 4646 B10R1.245 [13CH3]Oc1c(cccc1Br)Br 34a_100000736428_200025704644 [1,1,0,0,0,0|1,0,0]=3 4647 B10R1.245 [13CH3]Oc1c(cccc1Br)Br 7a_100000736428_200025704644 [1,1,0,0,0,0|1,0,0]=3 4648 B10R1.245 [13CH3]Oc1c(cccc1Br)Cl 34a_100010214474_200025704644 [1,1,0,0,0,0|1,0,0]=3 4649 B10R1.245 [13CH3]Oc1c(cccc1Br)Cl 7a_100010214474_200025704644 [1,1,0,0,0,0|1,0,0]=3 4650 B10R1.245 [13CH3]Oc1c(cccc1Br)F 34a_100009813666_200025704644 [1,1,0,0,0,0|1,0,0]=3 4651 B10R1.245 [13CH3]Oc1c(cccc1Br)F 7a_100009813666_200025704644 [1,1,0,0,0,0|1,0,0]=3 4652 B10R1.245 [13CH3]Oc1c(cccc1Br)N 34a_100011934915_200025704644 [1,1,0,0,0,0|1,0,0]=3 4653 B10R1.245 [13CH3]Oc1c(cccc1Cl)Cl 34a_100000211709_200025704644 [1,1,0,0,0,0|1,0,0]=3 4654 B10R1.245 [13CH3]Oc1c(cccc1Cl)Cl 7a_100000211709_200025704644 [1,1,0,0,0,0|1,0,0]=3 4655 B10R1.245 [13CH3]Oc1c(cccc1Cl)F 34a_100000694953_200025704644 [1,1,0,0,0,0|1,0,0]=3 4656 B10R1.245 [13CH3]Oc1c(cccc1Cl)F 7a_100000694953_200025704644 [1,1,0,0,0,0|1,0,0]=3 4657 B10R1.245 [13CH3]Oc1c(cccc1Cl)N 34a_100000754742_200025704644 [1,1,0,0,0,0|1,0,0]=3 4658 B10R1.245 [13CH3]Oc1c(cccc1F)F 34a_100000230165_200025704644 [1,1,0,0,0,0|1,0,0]=3 4659 B10R1.245 [13CH3]Oc1c(cccc1F)F 7a_100000230165_200025704644 [1,1,0,0,0,0|1,0,0]=3 4660 B10R1.245 [13CH3]Oc1c(cccc1F)N 34a_100011934987_200025704644 [1,1,0,0,0,0|1,0,0]=3 4661 B10R1.245 [13CH3]Oc1c(cccc1I)Br 34a_100010084509_200025704644 [1,1,0,0,0,0|1,0,0]=3 4662 B10R1.245 [13CH3]Oc1c(cccc1I)Br 7a_100010084509_200025704644 [1,1,0,0,0,0|1,0,0]=3 4663 B10R1.245 [13CH3]Oc1c(cccc1I)Cl 34a_100010202889_200025704644 [1,1,0,0,0,0|1,0,0]=3 4664 B10R1.245 [13CH3]Oc1c(cccc1I)Cl 7a_100010202889_200025704644 [1,1,0,0,0,0|1,0,0]=3 4665 B10R1.245 [13CH3]Oc1c(cccc1I)F 34a_100010186298_200025704644 [1,1,0,0,0,0|1,0,0]=3 4666 B10R1.245 [13CH3]Oc1c(cccc1I)F 7a_100010186298_200025704644 [1,1,0,0,0,0|1,0,0]=3 4667 B10R1.245 [13CH3]Oc1c(cccc1I)N 34a_100010084371_200025704644 [1,1,0,0,0,0|1,0,0]=3 4668 B10R1.245 [13CH3]Oc1c(cccc1N)N 34a_200016994477_200025704644 [1,1,0,0,0,0|1,0,0]=3 4669 B10R1.245 [13CH3]Oc1c(ccnc1Cl)Cl 34a_100000118450_200025704644 [1,1,0,0,0,0|2,0,0]=4 4670 B10R1.245 [13CH3]Oc1c(ccnc1Cl)Cl 7a_100000118450_200025704644 [1,1,0,0,0,0|2,0,0]=4 4671 B10R1.245 [13CH3]Oc1c(ccnc1Cl)F 34a_100009867227_200025704644 [1,1,0,0,0,0|2,0,0]=4 4672 B10R1.245 [13CH3]Oc1c(ccnc1Cl)F 7a_100009867227_200025704644 [1,1,0,0,0,0|2,0,0]=4 4673 B10R1.245 [13CH3]Oc1c(ccnc1Cl)I 34a_100010067911_200025704644 [1,1,0,0,0,0|2,0,0]=4 4674 B10R1.245 [13CH3]Oc1c(ccnc1Cl)I 7a_100010067911_200025704644 [1,1,0,0,0,0|2,0,0]=4 4675 B10R1.245 [13CH3]Oc1c(ccnc1Cl)N 34a_100009844647_200025704644 [1,1,0,0,0,0|2,0,0]=4 4676 B10R1.245 [13CH3]Oc1c(ccnc1Cl)N 7a_100009844647_200025704644 [1,1,0,0,0,0|2,0,0]=4 4677 B10R1.245 [13CH3]Sc1c(cccc1Br)Br 62a_100009994525_200025704644 [1,1,0,0,0,0|1,1,0]=4 4678 B10R1.245 [13CH3]Sc1c(cccc1Br)Br 62a_200025704644_100009994525 [1,1,0,0,0,0|1,1,0]=4 4679 B10R1.245 [13CH3]Sc1c(cccc1Br)Cl 62a_100010214488_200025704644 [1,1,0,0,0,0|1,1,0]=4 4680 B10R1.245 [13CH3]Sc1c(cccc1Br)Cl 62a_200025704644_100010214488 [1,1,0,0,0,0|1,1,0]=4 4681 B10R1.245 [13CH3]Sc1c(cccc1Br)F 62a_100011219512_200025704644 [1,1,0,0,0,0|1,1,0]=4 4682 B10R1.245 [13CH3]Sc1c(cccc1Br)F 62a_200025704644_100011219512 [1,1,0,0,0,0|1,1,0]=4 4683 B10R1.245 [13CH3]Sc1c(cccc1Br)N 62a_100020590159_200025704644 [1,1,0,0,0,0|1,1,0]=4 4684 B10R1.245 [13CH3]Sc1c(cccc1Br)N 62a_200025704644_100020590159 [1,1,0,0,0,0|1,1,0]=4 4685 B10R1.245 [13CH3]Sc1c(cccc1Br)O 62a_100010187912_200025704644 [1,1,0,0,0,0|0,1,1]=4 4686 B10R1.245 [13CH3]Sc1c(cccc1Br)O 62a_200025704644_100010187912 [1,1,0,0,0,0|0,1,1]=4 4687 B10R1.245 [13CH3]Sc1c(cccc1Cl)Cl 62a_100000034237_200025704644 [1,1,0,0,0,0|1,1,0]=4 4688 B10R1.245 [13CH3]Sc1c(cccc1Cl)Cl 62a_200025704644_100000034237 [1,1,0,0,0,0|1,1,0]=4 4689 B10R1.245 [13CH3]Sc1c(cccc1Cl)F 62a_100000050007_200025704644 [1,1,0,0,0,0|1,1,0]=4 4690 B10R1.245 [13CH3]Sc1c(cccc1Cl)F 62a_200025704644_100000050007 [1,1,0,0,0,0|1,1,0]=4 4691 B10R1.245 [13CH3]Sc1c(cccc1Cl)N 62a_100000049713_200025704644 [1,1,0,0,0,0|1,1,0]=4 4692 B10R1.245 [13CH3]Sc1c(cccc1Cl)N 62a_200025704644_100000049713 [1,1,0,0,0,0|1,1,0]=4 4693 B10R1.245 [13CH3]Sc1c(cccc1Cl)O 62a_200025704644_100000050174 [1,1,0,0,0,0|0,1,1]=4 4694 B10R1.245 [13CH3]Sc1c(cccc1F)F 62a_100000693133_200025704644 [1,1,0,0,0,0|1,1,0]=4 4695 B10R1.245 [13CH3]Sc1c(cccc1F)F 62a_200025704644_100000693133 [1,1,0,0,0,0|1,1,0]=4 4696 B10R1.245 [13CH3]Sc1c(cccc1F)N 62a_100000690935_200025704644 [1,1,0,0,0,0|1,1,0]=4 4697 B10R1.245 [13CH3]Sc1c(cccc1F)N 62a_200025704644_100000690935 [1,1,0,0,0,0|1,1,0]=4 4698 B10R1.245 [13CH3]Sc1c(cccc1F)O 62a_100009820682_200025704644 [1,1,0,0,0,0|0,1,1]=4 4699 B10R1.245 [13CH3]Sc1c(cccc1F)O 62a_200025704644_100009820682 [1,1,0,0,0,0|0,1,1]=4 4700 B10R1.245 [13CH3]Sc1c(cccc1O)N 62a_100012183704_200025704644 [1,1,0,0,0,0|0,1,1]=4 4701 B10R1.245 [13CH3]Sc1c(cccc1O)N 62a_200025704644_100012183704 [1,1,0,0,0,0|0,1,1]=4 4702 B10R1.245 [13CH3]Sc1c(cccc1O)O 62a_200025704644_100010205330 [1,1,0,0,0,0|0,1,1]=4 4703 B10R1.5 CC=Cc1ccoc1C=O 271570a_100016259895_100000756499 [0,1,0,0,1,0|2,0,0]=4 4704 B10R1.5 CC=Cc1ccsc1C=O 271570a_100016259895_100000766043 [0,1,0,0,1,0|2,0,0]=4 4705 B10R1.5 CC=Cc1cscc1C=O 271570a_100016259895_100000685484 [0,1,0,0,1,0|2,0,0]=4 4706 B10R1.5 CC=Cc1sccc1C=O 271570a_100016259895_100009816921 [0,1,0,0,1,0|2,0,0]=4 4707 B10R1.5 CCSc1ccoc1C=O 62a_100000210202_100000756499 [0,1,0,0,1,0|1,1,0]=4 4708 B10R1.5 CCSc1ccoc1C=O 62a_100000756499_100000210202 [0,1,0,0,1,0|1,1,0]=4 4709 B10R1.5 CCSc1ccsc1C=O 62a_100000210202_100000766043 [0,1,0,0,1,0|1,1,0]=4 4710 B10R1.5 CCSc1ccsc1C=O 62a_100000766043_100000210202 [0,1,0,0,1,0|1,1,0]=4 4711 B10R1.5 CCSc1cscc1C=O 62a_100000210202_100000685484 [0,1,0,0,1,0|1,1,0]=4 4712 B10R1.5 CCSc1cscc1C=O 62a_100000685484_100000210202 [0,1,0,0,1,0|1,1,0]=4 4713 B10R1.5 CCSc1sccc1C=O 62a_100000210202_100009816921 [0,1,0,0,1,0|1,1,0]=4 4714 B10R1.5 CCSc1sccc1C=O 62a_100009816921_100000210202 [0,1,0,0,1,0|1,1,0]=4 4715 B10R1.5 O=Cc1ccsc1SCF 62a_100009816921_100015361967 [0,1,0,0,1,0|1,1,0]=4 4716 B10R1.5 O=Cc1ccsc1SCF 62a_100015361967_100009816921 [0,1,0,0,1,0|1,1,0]=4 4717 B10R1.5 O=Cc1cscc1SCF 62a_100000685484_100015361967 [0,1,0,0,1,0|1,1,0]=4 4718 B10R1.5 O=Cc1cscc1SCF 62a_100015361967_100000685484 [0,1,0,0,1,0|1,1,0]=4 4719 B10R1.5 O=Cc1occc1SCF 62a_100000756499_100015361967 [0,1,0,0,1,0|1,1,0]=4 4720 B10R1.5 O=Cc1occc1SCF 62a_100015361967_100000756499 [0,1,0,0,1,0|1,1,0]=4 4721 B10R1.5 O=Cc1sccc1SCF 62a_100000766043_100015361967 [0,1,0,0,1,0|1,1,0]=4 4722 B10R1.5 O=Cc1sccc1SCF 62a_100015361967_100000766043 [0,1,0,0,1,0|1,1,0]=4 4723 B10R1.32 CSc1cc(sc1C=O)C 62a_100011361552_200000210301 [0,1,0,0,1,0|1,1,0]=4 4724 B10R1.32 CSc1cc(sc1C=O)C 62a_200000210301_100011361552 [0,1,0,0,1,0|1,1,0]=4 4725 B10R1.32 Cc1cc(c(s1)C=O)S[13CH3] 62a_100011361552_200025704644 [0,1,0,0,1,0|1,1,0]=4 4726 B10R1.32 Cc1cc(c(s1)C=O)S[13CH3] 62a_200025704644_100011361552 [0,1,0,0,1,0|1,1,0]=4 4727 B10R1.39 C=C(C)c1ccoc1C=O 271570a_100000694244_100000756499 [0,1,0,0,1,0|2,0,0]=4 4728 B10R1.39 C=C(C)c1ccsc1C=O 271570a_100000694244_100000766043 [0,1,0,0,1,0|2,0,0]=4 4729 B10R1.39 C=C(C)c1cscc1C=O 271570a_100000694244_100000685484 [0,1,0,0,1,0|2,0,0]=4 4730 B10R1.39 C=C(C)c1sccc1C=O 271570a_100000694244_100009816921 [0,1,0,0,1,0|2,0,0]=4 4731 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,1,0,0,1,0|1,1,0]=4 4732 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,1,0,0,1,0|1,1,0]=4 4733 B10R1.39 CSc1cscc1C(=O)N 62a_100009817205_200000210301 [0,1,0,0,1,0|1,1,0]=4 4734 B10R1.39 CSc1cscc1C(=O)N 62a_200000210301_100009817205 [0,1,0,0,1,0|1,1,0]=4 4735 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_100009817205_200025704644 [0,1,0,0,1,0|1,1,0]=4 4736 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_200025704644_100009817205 [0,1,0,0,1,0|1,1,0]=4 4737 B12R1.46 C=C(C)c1cc(=O)[nH]cc1OC 271570a_100000694244_100121573661 [0,2,0,0,0,0|2,0,0]=4 4738 B12R1.46 C=C(C)c1cc(ccc1C=O)Br 271570a_100000694244_100010146562 [0,2,0,0,0,0|1,0,0]=3 4739 B12R1.46 C=C(C)c1cc(ccc1C=O)C 271570a_100000694244_100000692596 [0,2,0,0,0,0|1,0,0]=3 4740 B12R1.46 C=C(C)c1cc(ccc1C=O)F 271570a_100000694244_100000752949 [0,2,0,0,0,0|1,0,0]=3 4741 B12R1.46 C=C(C)c1cc(ccc1C=O)O 271570a_100000694244_100011236494 [0,2,0,0,0,0|1,0,0]=3 4742 B12R1.46 C=C(C)c1cc(ccc1NC)C 271570a_100000694244_100000221369 [0,2,0,0,0,0|2,0,0]=4 4743 B12R1.46 C=C(C)c1cc(ccc1NC)F 271570a_100000694244_100011246292 [0,2,0,0,0,0|2,0,0]=4 4744 B12R1.46 C=C(C)c1cc(ccc1NC)F 34a_100009961556_200000210301 [0,2,0,0,0,0|2,0,0]=4 4745 B12R1.46 C=C(C)c1cc(ccc1N[13CH3])F 34a_100009961556_200025704644 [0,2,0,0,0,0|2,0,0]=4 4746 B12R1.46 C=C(C)c1cc(ccc1OC)Br 271570a_100000694244_100012351588 [0,2,0,0,0,0|1,0,0]=3 4747 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [0,2,0,0,0,0|1,0,0]=3 4748 B12R1.46 C=C(C)c1cc(ccc1OC)Cl 271570a_100000694244_100011215930 [0,2,0,0,0,0|1,0,0]=3 4749 B12R1.46 C=C(C)c1cc(ccc1OC)F 271570a_100000694244_100000171694 [0,2,0,0,0,0|1,0,0]=3 4750 B12R1.46 C=C(C)c1cc(ccc1OC)N 271570a_100000694244_100000187427 [0,2,0,0,0,0|1,0,0]=3 4751 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [0,2,0,0,0,0|1,0,0]=3 4752 B12R1.46 C=C(C)c1cc(ccc1SC)C 271570a_100000694244_200010201864 [0,2,0,0,0,0|1,1,0]=4 4753 B12R1.46 C=C(C)c1cc(ccc1SC)F 271570a_100000694244_100009817003 [0,2,0,0,0,0|1,1,0]=4 4754 B12R1.46 C=C(C)c1cc(cnc1OC)Br 271570a_100000694244_100009814608 [0,2,0,0,0,0|2,0,0]=4 4755 B12R1.46 C=C(C)c1cc(cnc1OC)C 271570a_100000694244_100012353929 [0,2,0,0,0,0|2,0,0]=4 4756 B12R1.46 C=C(C)c1cc(cnc1OC)F 271570a_100000694244_100009828472 [0,2,0,0,0,0|2,0,0]=4 4757 B12R1.46 C=C(C)c1cc(cnc1OC)N 271570a_100000694244_100012351452 [0,2,0,0,0,0|2,0,0]=4 4758 B12R1.46 C=C(C)c1cc(ncc1C=O)F 271570a_100000694244_100009862493 [0,2,0,0,0,0|2,0,0]=4 4759 B12R1.46 C=C(C)c1cc(ncc1OC)C 271570a_100000694244_100010109759 [0,2,0,0,0,0|2,0,0]=4 4760 B12R1.46 C=C(C)c1nc(ccc1C=O)C 271570a_100000694244_100000085379 [0,2,0,0,0,0|2,0,0]=4 4761 B12R1.46 C=C(C)c1nc(ccc1C=O)F 271570a_100000694244_100009846357 [0,2,0,0,0,0|2,0,0]=4 4762 B12R1.46 C=C(C)c1nc(ccc1OC)C 271570a_100000694244_100009820875 [0,2,0,0,0,0|2,0,0]=4 4763 B12R1.46 C=C(C)c1nc(ccc1OC)N 271570a_100000694244_100010172607 [0,2,0,0,0,0|2,0,0]=4 4764 B12R1.46 C=Cc1ccc(cc1C(=O)C)Br 271570a_100011290941_100012349576 [0,2,0,0,0,0|1,0,1]=4 4765 B12R1.46 C=Cc1ccc(cc1C(=O)C)C 271570a_100011290941_100012361225 [0,2,0,0,0,0|1,0,1]=4 4766 B12R1.46 C=Cc1ccc(cc1C(=O)C)F 271570a_100011290941_100012353695 [0,2,0,0,0,0|1,0,1]=4 4767 B12R1.46 C=Cc1ccc(cc1C(=O)C)N 271570a_100011290941_100012349454 [0,2,0,0,0,0|1,0,1]=4 4768 B12R1.46 C=Cc1ccc(cc1C(=O)N)Br 271570a_100011290941_200000162314 [0,2,0,0,0,0|1,0,1]=4 4769 B12R1.46 C=Cc1ccc(cc1C(=O)N)C 271570a_100011290941_200012349609 [0,2,0,0,0,0|1,0,1]=4 4770 B12R1.46 C=Cc1ccc(cc1C(=O)N)F 271570a_100011290941_100000206434 [0,2,0,0,0,0|1,0,1]=4 4771 B12R1.46 C=Cc1ccc(cc1C(=O)N)N 271570a_100011290941_100015186447 [0,2,0,0,0,0|1,0,1]=4 4772 B12R1.46 C=Cc1ccc(cc1C(C)C)Br 271570a_100011290941_100010244561 [0,2,0,0,0,0|2,0,0]=4 4773 B12R1.46 C=Cc1ccc(cc1C(C)N)F 271570a_100011290941_100012343209 [0,2,0,0,0,0|2,0,0]=4 4774 B12R1.46 C=Cc1ccc(cc1N(C)C)O 271570a_100011290941_200010083878 [0,2,0,0,0,0|2,0,0]=4 4775 B12R1.46 C=Cc1ccc(cc1[C@H](C)O)F 271570a_100011290941_100134768474 [0,2,0,0,0,0|2,0,0]=4 4776 B12R1.46 CC(=O)c1cc(ccc1C#N)F 1458a_100011217471_200000210301 [0,2,0,0,0,0|2,0,0]=4 4777 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,2,0,0,0,0|0,0,0]=2 4778 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,2,0,0,0,0|0,0,0]=2 4779 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,2,0,0,0,0|0,0,0]=2 4780 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,2,0,0,0,0|0,0,0]=2 4781 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,2,0,0,0,0|0,0,0]=2 4782 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,2,0,0,0,0|0,0,0]=2 4783 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,2,0,0,0,0|0,0,0]=2 4784 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,2,0,0,0,0|0,0,0]=2 4785 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,2,0,0,0,0|0,0,0]=2 4786 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])Br 62a_100012349576_200025704644 [0,2,0,0,0,0|0,1,0]=3 4787 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,2,0,0,0,0|0,1,0]=3 4788 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,2,0,0,0,0|0,1,0]=3 4789 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_100012353695_200025704644 [0,2,0,0,0,0|0,1,0]=3 4790 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100010200798 [0,2,0,0,0,0|0,1,0]=3 4791 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])N 62a_100012349454_200025704644 [0,2,0,0,0,0|0,1,0]=3 4792 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_100000118324_200025704644 [0,2,0,0,0,0|1,1,0]=4 4793 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100000118324 [0,2,0,0,0,0|1,1,0]=4 4794 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 34a_100000691460_200025704644 [0,2,0,0,0,0|1,0,1]=4 4795 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 7a_100000691460_200025704644 [0,2,0,0,0,0|1,0,1]=4 4796 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 34a_200011305312_200025704644 [0,2,0,0,0,0|0,0,2]=4 4797 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 7a_200011305312_200025704644 [0,2,0,0,0,0|0,0,2]=4 4798 B12R1.46 CCc1ccc(cc1C(=O)C)Br 1458a_100012343961_200000210301 [0,2,0,0,0,0|1,0,0]=3 4799 B12R1.46 CCc1ccc(cc1C(=O)[13CH3])Br 1458a_100012343961_200025704644 [0,2,0,0,0,0|1,0,0]=3 4800 B12R1.46 CN(C)c1cc(ncc1C=O)F 27a_100102631434_100009862493 [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.46 CN(C)c1nc(ccc1C=O)F 27a_100102631434_100009846357 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.46 CNc1ccc(cc1C(=O)N)Br 27a_100102657272_200000162314 [0,2,0,0,0,0|1,0,0]=3 4803 B12R1.46 CNc1ccc(cc1C(=O)N)Br 34a_100000740421_200000210301 [0,2,0,0,0,0|1,0,0]=3 4804 B12R1.46 CNc1ccc(cc1C(=O)N)Br 7a_100000740421_200000210301 [0,2,0,0,0,0|1,0,0]=3 4805 B12R1.46 CNc1ccc(cc1C(=O)N)C 34a_100011692829_200000210301 [0,2,0,0,0,0|1,0,0]=3 4806 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 34a_100000743835_200000210301 [0,2,0,0,0,0|1,0,0]=3 4807 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 7a_100000743835_200000210301 [0,2,0,0,0,0|1,0,0]=3 4808 B12R1.46 CNc1ccc(cc1C(=O)N)F 34a_100000741173_200000210301 [0,2,0,0,0,0|1,0,0]=3 4809 B12R1.46 CNc1ccc(cc1C(=O)N)F 7a_100000741173_200000210301 [0,2,0,0,0,0|1,0,0]=3 4810 B12R1.46 CNc1ccc(cc1C(=O)N)O 271570a_203496583355_200010114593 [0,2,0,0,0,0|1,0,0]=3 4811 B12R1.46 CNc1ccc(cc1[N+](=O)[O-])F 34a_100000187532_200000210301 [0,2,0,0,0,0|2,0,0]=4 4812 B12R1.46 CNc1ncc(cc1C(=O)N)F 27a_100102657272_100012183597 [0,2,0,0,0,0|2,0,0]=4 4813 B12R1.46 COc1cc[n+](cc1[N+](=O)[O-])[O-] 7a_100000047301_200000210301 [0,2,0,0,0,0|2,0,0]=4 4814 B12R1.46 COc1ccc(cc1B(O)O)O 271570a_203496583355_100009813459 [0,2,0,0,0,0|1,0,1]=4 4815 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,2,0,0,0,0|0,0,0]=2 4816 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,2,0,0,0,0|0,0,0]=2 4817 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,2,0,0,0,0|0,0,0]=2 4818 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,2,0,0,0,0|0,0,0]=2 4819 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,2,0,0,0,0|0,0,0]=2 4820 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,2,0,0,0,0|0,0,0]=2 4821 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,2,0,0,0,0|0,0,0]=2 4822 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,2,0,0,0,0|0,0,0]=2 4823 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,2,0,0,0,0|0,0,0]=2 4824 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,2,0,0,0,0|0,0,0]=2 4825 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,2,0,0,0,0|0,0,0]=2 4826 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,2,0,0,0,0|0,0,0]=2 4827 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,2,0,0,0,0|0,0,0]=2 4828 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,2,0,0,0,0|0,0,0]=2 4829 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,2,0,0,0,0|0,0,0]=2 4830 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,2,0,0,0,0|0,0,0]=2 4831 B12R1.46 COc1ccc(cc1C(=O)N)Br 34a_100000192807_200000210301 [0,2,0,0,0,0|0,0,0]=2 4832 B12R1.46 COc1ccc(cc1C(=O)N)Br 7a_100000192807_200000210301 [0,2,0,0,0,0|0,0,0]=2 4833 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [0,2,0,0,0,0|0,0,0]=2 4834 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [0,2,0,0,0,0|0,0,0]=2 4835 B12R1.46 COc1ccc(cc1C(=O)N)Cl 34a_100000185026_200000210301 [0,2,0,0,0,0|0,0,0]=2 4836 B12R1.46 COc1ccc(cc1C(=O)N)Cl 7a_100000185026_200000210301 [0,2,0,0,0,0|0,0,0]=2 4837 B12R1.46 COc1ccc(cc1C(=O)N)F 34a_100012186459_200000210301 [0,2,0,0,0,0|0,0,0]=2 4838 B12R1.46 COc1ccc(cc1C(=O)N)F 7a_100012186459_200000210301 [0,2,0,0,0,0|0,0,0]=2 4839 B12R1.46 COc1ccc(cc1C(=O)N)I 34a_100000192813_200000210301 [0,2,0,0,0,0|0,0,0]=2 4840 B12R1.46 COc1ccc(cc1C(=O)N)I 7a_100000192813_200000210301 [0,2,0,0,0,0|0,0,0]=2 4841 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,2,0,0,0,0|0,0,0]=2 4842 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,2,0,0,0,0|0,0,0]=2 4843 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,2,0,0,0,0|0,0,0]=2 4844 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,2,0,0,0,0|0,0,0]=2 4845 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,2,0,0,0,0|0,0,0]=2 4846 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,2,0,0,0,0|0,0,0]=2 4847 B12R1.46 COc1ccc(cc1C(C)C)Br 34a_100000691460_200000210301 [0,2,0,0,0,0|1,0,1]=4 4848 B12R1.46 COc1ccc(cc1C(C)C)Br 7a_100000691460_200000210301 [0,2,0,0,0,0|1,0,1]=4 4849 B12R1.46 COc1ccc(cc1C(C)O)F 34a_200011305312_200000210301 [0,2,0,0,0,0|0,0,2]=4 4850 B12R1.46 COc1ccc(cc1C(C)O)F 7a_200011305312_200000210301 [0,2,0,0,0,0|0,0,2]=4 4851 B12R1.46 COc1ccc(cc1C(F)F)O 271570a_203496583355_100010146105 [0,2,0,0,0,0|1,0,1]=4 4852 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_200000210301 [0,2,0,0,0,0|1,0,1]=4 4853 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_200000210301 [0,2,0,0,0,0|1,0,1]=4 4854 B12R1.46 COc1ccc(cc1[C@H](C)N)F 34a_100160469477_200000210301 [0,2,0,0,0,0|1,0,1]=4 4855 B12R1.46 COc1ccc(cc1[C@H](C)N)F 7a_100160469477_200000210301 [0,2,0,0,0,0|1,0,1]=4 4856 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200000210301 [0,2,0,0,0,0|1,0,0]=3 4857 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200000210301 [0,2,0,0,0,0|1,0,0]=3 4858 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_200000210301 [0,2,0,0,0,0|1,0,0]=3 4859 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 7a_100000195567_200000210301 [0,2,0,0,0,0|1,0,0]=3 4860 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200000210301 [0,2,0,0,0,0|1,0,0]=3 4861 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200000210301 [0,2,0,0,0,0|1,0,0]=3 4862 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200000210301 [0,2,0,0,0,0|1,0,0]=3 4863 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200000210301 [0,2,0,0,0,0|1,0,0]=3 4864 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200000210301 [0,2,0,0,0,0|1,0,0]=3 4865 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200000210301 [0,2,0,0,0,0|1,0,0]=3 4866 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200000210301 [0,2,0,0,0,0|1,0,0]=3 4867 B12R1.46 COc1ccc(nc1[N+](=O)[O-])Br 7a_100000684561_200000210301 [0,2,0,0,0,0|2,0,0]=4 4868 B12R1.46 COc1ccc(nc1[N+](=O)[O-])C 7a_100000211580_200000210301 [0,2,0,0,0,0|2,0,0]=4 4869 B12R1.46 COc1ccc(nc1[N+](=O)[O-])Cl 7a_100000094143_200000210301 [0,2,0,0,0,0|2,0,0]=4 4870 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,2,0,0,0,0|1,0,0]=3 4871 B12R1.46 CSc1ccc(cc1C(=O)C)Br 62a_100012349576_200000210301 [0,2,0,0,0,0|0,1,0]=3 4872 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,2,0,0,0,0|0,1,0]=3 4873 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,2,0,0,0,0|0,1,0]=3 4874 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_100012353695_200000210301 [0,2,0,0,0,0|0,1,0]=3 4875 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_200000210301_100010200798 [0,2,0,0,0,0|0,1,0]=3 4876 B12R1.46 CSc1ccc(cc1C(=O)C)N 62a_100012349454_200000210301 [0,2,0,0,0,0|0,1,0]=3 4877 B12R1.46 CSc1ccc(cc1C(=O)N)Br 62a_200000162314_200000210301 [0,2,0,0,0,0|0,1,0]=3 4878 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200000210301_200012349609 [0,2,0,0,0,0|0,1,0]=3 4879 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200012349609_200000210301 [0,2,0,0,0,0|0,1,0]=3 4880 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_100000206434_200000210301 [0,2,0,0,0,0|0,1,0]=3 4881 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_200000210301_100000206434 [0,2,0,0,0,0|0,1,0]=3 4882 B12R1.46 CSc1ccc(cc1C(=O)N)N 62a_100015186447_200000210301 [0,2,0,0,0,0|0,1,0]=3 4883 B12R1.46 CSc1ccc(cc1C(=O)O)Br 62a_100011072988_200000210301 [0,2,0,0,0,0|0,1,0]=3 4884 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_100000118324_200000210301 [0,2,0,0,0,0|1,1,0]=4 4885 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_200000210301_100000118324 [0,2,0,0,0,0|1,1,0]=4 4886 B12R1.46 CSc1ncc(cc1C(=O)N)F 62a_100012183597_200000210301 [0,2,0,0,0,0|1,1,0]=4 4887 B12R1.46 CSc1ncc(cc1C(=O)N)F 62a_200000210301_100012183597 [0,2,0,0,0,0|1,1,0]=4 4888 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 34a_100011853016_200025704644 [0,2,0,0,0,0|1,0,1]=4 4889 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 7a_100011853016_200025704644 [0,2,0,0,0,0|1,0,1]=4 4890 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 34a_100160469477_200025704644 [0,2,0,0,0,0|1,0,1]=4 4891 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 7a_100160469477_200025704644 [0,2,0,0,0,0|1,0,1]=4 4892 B12R1.46 Cc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011692829_200025704644 [0,2,0,0,0,0|1,0,0]=3 4893 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [0,2,0,0,0,0|0,0,0]=2 4894 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [0,2,0,0,0,0|0,0,0]=2 4895 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200012349609_200025704644 [0,2,0,0,0,0|0,1,0]=3 4896 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200025704644_200012349609 [0,2,0,0,0,0|0,1,0]=3 4897 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000195567_200025704644 [0,2,0,0,0,0|1,0,0]=3 4898 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000195567_200025704644 [0,2,0,0,0,0|1,0,0]=3 4899 B12R1.46 Cc1ccc(c(n1)[N+](=O)[O-])O[13CH3] 7a_100000211580_200025704644 [0,2,0,0,0,0|2,0,0]=4 4900 B12R1.46 [13CH3]C(=O)c1cc(ccc1C#N)F 1458a_100011217471_200025704644 [0,2,0,0,0,0|2,0,0]=4 4901 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 34a_100000740421_200025704644 [0,2,0,0,0,0|1,0,0]=3 4902 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 7a_100000740421_200025704644 [0,2,0,0,0,0|1,0,0]=3 4903 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 34a_100000743835_200025704644 [0,2,0,0,0,0|1,0,0]=3 4904 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 7a_100000743835_200025704644 [0,2,0,0,0,0|1,0,0]=3 4905 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 34a_100000741173_200025704644 [0,2,0,0,0,0|1,0,0]=3 4906 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 7a_100000741173_200025704644 [0,2,0,0,0,0|1,0,0]=3 4907 B12R1.46 [13CH3]Nc1ccc(cc1[N+](=O)[O-])F 34a_100000187532_200025704644 [0,2,0,0,0,0|2,0,0]=4 4908 B12R1.46 [13CH3]Oc1cc[n+](cc1[N+](=O)[O-])[O-] 7a_100000047301_200025704644 [0,2,0,0,0,0|2,0,0]=4 4909 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 34a_100000192807_200025704644 [0,2,0,0,0,0|0,0,0]=2 4910 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 7a_100000192807_200025704644 [0,2,0,0,0,0|0,0,0]=2 4911 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_200025704644 [0,2,0,0,0,0|0,0,0]=2 4912 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_200025704644 [0,2,0,0,0,0|0,0,0]=2 4913 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 34a_100012186459_200025704644 [0,2,0,0,0,0|0,0,0]=2 4914 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 7a_100012186459_200025704644 [0,2,0,0,0,0|0,0,0]=2 4915 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 34a_100000192813_200025704644 [0,2,0,0,0,0|0,0,0]=2 4916 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 7a_100000192813_200025704644 [0,2,0,0,0,0|0,0,0]=2 4917 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200025704644 [0,2,0,0,0,0|1,0,0]=3 4918 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200025704644 [0,2,0,0,0,0|1,0,0]=3 4919 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200025704644 [0,2,0,0,0,0|1,0,0]=3 4920 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200025704644 [0,2,0,0,0,0|1,0,0]=3 4921 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200025704644 [0,2,0,0,0,0|1,0,0]=3 4922 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200025704644 [0,2,0,0,0,0|1,0,0]=3 4923 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200025704644 [0,2,0,0,0,0|1,0,0]=3 4924 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200025704644 [0,2,0,0,0,0|1,0,0]=3 4925 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200025704644 [0,2,0,0,0,0|1,0,0]=3 4926 B12R1.46 [13CH3]Oc1ccc(nc1[N+](=O)[O-])Br 7a_100000684561_200025704644 [0,2,0,0,0,0|2,0,0]=4 4927 B12R1.46 [13CH3]Oc1ccc(nc1[N+](=O)[O-])Cl 7a_100000094143_200025704644 [0,2,0,0,0,0|2,0,0]=4 4928 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)Br 62a_200000162314_200025704644 [0,2,0,0,0,0|0,1,0]=3 4929 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_100000206434_200025704644 [0,2,0,0,0,0|0,1,0]=3 4930 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_200025704644_100000206434 [0,2,0,0,0,0|0,1,0]=3 4931 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)N 62a_100015186447_200025704644 [0,2,0,0,0,0|0,1,0]=3 4932 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)O)Br 62a_100011072988_200025704644 [0,2,0,0,0,0|0,1,0]=3 4933 B12R1.46 [13CH3]Sc1ncc(cc1C(=O)N)F 62a_100012183597_200025704644 [0,2,0,0,0,0|1,1,0]=4 4934 B12R1.46 [13CH3]Sc1ncc(cc1C(=O)N)F 62a_200025704644_100012183597 [0,2,0,0,0,0|1,1,0]=4 4935 B12R1.57 C=C(C)c1ccc(cc1C=O)Br 271570a_100000694244_100010185651 [0,2,0,0,0,0|1,0,0]=3 4936 B12R1.57 C=C(C)c1ccc(cc1C=O)C 271570a_100000694244_100011551863 [0,2,0,0,0,0|1,0,0]=3 4937 B12R1.57 C=C(C)c1ccc(cc1C=O)Cl 271570a_100000694244_100010254386 [0,2,0,0,0,0|1,0,0]=3 4938 B12R1.57 C=C(C)c1ccc(cc1C=O)F 271570a_100000694244_100011218309 [0,2,0,0,0,0|1,0,0]=3 4939 B12R1.57 C=C(C)c1ccc(cc1C=O)O 271570a_100000694244_100000690577 [0,2,0,0,0,0|1,0,0]=3 4940 B12R1.57 C=C(C)c1ccc(cc1CC)Br 271570a_100000694244_100011216195 [0,2,0,0,0,0|2,0,0]=4 4941 B12R1.57 C=C(C)c1ccc(cc1CC)N 271570a_100000694244_100010109747 [0,2,0,0,0,0|2,0,0]=4 4942 B12R1.57 C=C(C)c1ccc(cc1NC)F 271570a_100000694244_100020633008 [0,2,0,0,0,0|2,0,0]=4 4943 B12R1.57 C=C(C)c1ccc(cc1OC)Br 271570a_100000694244_100010245111 [0,2,0,0,0,0|1,0,0]=3 4944 B12R1.57 C=C(C)c1ccc(cc1OC)C 271570a_100000694244_100010200004 [0,2,0,0,0,0|1,0,0]=3 4945 B12R1.57 C=C(C)c1ccc(cc1OC)Cl 271570a_100000694244_100000050115 [0,2,0,0,0,0|1,0,0]=3 4946 B12R1.57 C=C(C)c1ccc(cc1OC)F 271570a_100000694244_100000757151 [0,2,0,0,0,0|1,0,0]=3 4947 B12R1.57 C=C(C)c1ccc(cc1OC)N 271570a_100000694244_100000765947 [0,2,0,0,0,0|1,0,0]=3 4948 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [0,2,0,0,0,0|1,0,0]=3 4949 B12R1.57 C=C(C)c1ccc(cc1SC)C 271570a_100000694244_200010709736 [0,2,0,0,0,0|1,1,0]=4 4950 B12R1.57 C=C(C)c1ccc(nc1C=O)C 271570a_100000694244_100010173661 [0,2,0,0,0,0|2,0,0]=4 4951 B12R1.57 C=C(C)c1ccc(nc1OC)C 271570a_100000694244_100010138632 [0,2,0,0,0,0|2,0,0]=4 4952 B12R1.57 C=C(C)c1ccc(nc1OC)N 271570a_100000694244_100010187630 [0,2,0,0,0,0|2,0,0]=4 4953 B12R1.57 C=C(C)c1cnc(cc1OC)C 271570a_100000694244_100000717771 [0,2,0,0,0,0|2,0,0]=4 4954 B12R1.57 C=C(C)c1cnc(cc1OC)Cl 271570a_100000694244_100010154656 [0,2,0,0,0,0|2,0,0]=4 4955 B12R1.57 C=C(C)c1cnc(cc1OC)F 271570a_100000694244_100010135560 [0,2,0,0,0,0|2,0,0]=4 4956 B12R1.57 C=C(C)c1cnc(cc1OC)N 271570a_100000694244_100015506990 [0,2,0,0,0,0|2,0,0]=4 4957 B12R1.57 C=C(C)c1ncc(cc1C=O)C 271570a_100000694244_100000050350 [0,2,0,0,0,0|2,0,0]=4 4958 B12R1.57 C=C(C)c1ncc(cc1C=O)F 271570a_100000694244_100000079965 [0,2,0,0,0,0|2,0,0]=4 4959 B12R1.57 C=C(C)c1ncc(cc1OC)C 271570a_100000694244_200000118316 [0,2,0,0,0,0|2,0,0]=4 4960 B12R1.57 C=C(C)c1ncc(cc1OC)F 271570a_100000694244_100009867738 [0,2,0,0,0,0|2,0,0]=4 4961 B12R1.57 C=C(C)c1ncc(cc1OC)N 271570a_100000694244_100000097218 [0,2,0,0,0,0|2,0,0]=4 4962 B12R1.57 C=Cc1cc(ccc1C(=O)C)C 271570a_100011290941_100012353930 [0,2,0,0,0,0|1,0,1]=4 4963 B12R1.57 C=Cc1cc(ccc1C(=O)C)F 271570a_100011290941_100000686192 [0,2,0,0,0,0|1,0,1]=4 4964 B12R1.57 C=Cc1cc(ccc1C(=O)C)O 271570a_100011290941_100012340537 [0,2,0,0,0,0|1,0,1]=4 4965 B12R1.57 C=Cc1cc(ccc1C(=O)N)Br 271570a_100011290941_100009815748 [0,2,0,0,0,0|1,0,1]=4 4966 B12R1.57 C=Cc1cc(ccc1C(=O)N)F 271570a_100011290941_100000206404 [0,2,0,0,0,0|1,0,1]=4 4967 B12R1.57 C=Cc1cc(ccc1N(C)C)C 271570a_100011290941_100012353700 [0,2,0,0,0,0|2,0,0]=4 4968 B12R1.57 C=Cc1cc(ccc1N(C)C)F 271570a_100011290941_100012349029 [0,2,0,0,0,0|2,0,0]=4 4969 B12R1.57 C=Cc1cc(ccc1N(C)C)N 271570a_100011290941_100011534197 [0,2,0,0,0,0|2,0,0]=4 4970 B12R1.57 C=Cc1cc(ccc1[C@@H](C)N)F 271570a_100011290941_100025704064 [0,2,0,0,0,0|2,0,0]=4 4971 B12R1.57 CC(=O)c1ccc(cc1C#N)Br 1458a_100012349539_200000210301 [0,2,0,0,0,0|2,0,0]=4 4972 B12R1.57 CC(=O)c1ccc(cc1C#N)C 1458a_200012184421_200000210301 [0,2,0,0,0,0|2,0,0]=4 4973 B12R1.57 CC(=O)c1ccc(cc1C#N)F 1458a_100012002388_200000210301 [0,2,0,0,0,0|2,0,0]=4 4974 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [0,2,0,0,0,0|2,0,0]=4 4975 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [0,2,0,0,0,0|2,0,0]=4 4976 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [0,2,0,0,0,0|0,0,0]=2 4977 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,2,0,0,0,0|0,0,0]=2 4978 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,2,0,0,0,0|0,0,0]=2 4979 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,2,0,0,0,0|0,0,0]=2 4980 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,2,0,0,0,0|0,0,0]=2 4981 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [0,2,0,0,0,0|0,0,0]=2 4982 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [0,2,0,0,0,0|0,1,0]=3 4983 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [0,2,0,0,0,0|0,1,0]=3 4984 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [0,2,0,0,0,0|0,1,0]=3 4985 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [0,2,0,0,0,0|0,1,0]=3 4986 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [0,2,0,0,0,0|1,0,0]=3 4987 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [0,2,0,0,0,0|1,0,0]=3 4988 B12R1.57 CN(C)c1ccc(cc1C=O)O 271570a_203496583355_100012753127 [0,2,0,0,0,0|1,0,0]=3 4989 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [0,2,0,0,0,0|1,0,0]=3 4990 B12R1.57 CNc1cc(ccc1C(=O)N)Br 27a_100102657272_100009815748 [0,2,0,0,0,0|1,0,0]=3 4991 B12R1.57 CNc1cc(ccc1C(=O)N)Br 7a_100012349972_200000210301 [0,2,0,0,0,0|1,0,0]=3 4992 B12R1.57 CNc1cc(ccc1C(=O)N)C 34a_100011219537_200000210301 [0,2,0,0,0,0|1,0,0]=3 4993 B12R1.57 CNc1cc(ccc1C(=O)N)C 7a_100011219537_200000210301 [0,2,0,0,0,0|1,0,0]=3 4994 B12R1.57 CNc1cc(ccc1C(=O)N)Cl 34a_100000738103_200000210301 [0,2,0,0,0,0|1,0,0]=3 4995 B12R1.57 CNc1cc(ccc1C(=O)N)Cl 7a_100000738103_200000210301 [0,2,0,0,0,0|1,0,0]=3 4996 B12R1.57 CNc1cc(ccc1C(=O)N)F 27a_100102657272_100000206404 [0,2,0,0,0,0|1,0,0]=3 4997 B12R1.57 CNc1cc(ccc1C(=O)N)F 34a_100011298637_200000210301 [0,2,0,0,0,0|1,0,0]=3 4998 B12R1.57 CNc1cc(ccc1[N+](=O)[O-])F 34a_100000746377_200000210301 [0,2,0,0,0,0|2,0,0]=4 4999 B12R1.57 CNc1nc(ccc1C(=O)N)C 27a_100102657272_100000041523 [0,2,0,0,0,0|2,0,0]=4 5000 B12R1.57 COc1cc(ccc1B(O)O)O 271570a_203496583355_100010245881 [0,2,0,0,0,0|1,0,1]=4 5001 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [0,2,0,0,0,0|0,0,0]=2 5002 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [0,2,0,0,0,0|0,0,0]=2 5003 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,2,0,0,0,0|0,0,0]=2 5004 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,2,0,0,0,0|0,0,0]=2 5005 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,2,0,0,0,0|0,0,0]=2 5006 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,2,0,0,0,0|0,0,0]=2 5007 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,2,0,0,0,0|0,0,0]=2 5008 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,2,0,0,0,0|0,0,0]=2 5009 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [0,2,0,0,0,0|0,0,0]=2 5010 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [0,2,0,0,0,0|0,0,0]=2 5011 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [0,2,0,0,0,0|0,0,0]=2 5012 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,2,0,0,0,0|0,0,0]=2 5013 B12R1.57 COc1cc(ccc1C(=O)N)Br 34a_100011550861_200000210301 [0,2,0,0,0,0|0,0,0]=2 5014 B12R1.57 COc1cc(ccc1C(=O)N)Br 7a_100011550861_200000210301 [0,2,0,0,0,0|0,0,0]=2 5015 B12R1.57 COc1cc(ccc1C(=O)N)C 34a_100000192831_200000210301 [0,2,0,0,0,0|0,0,0]=2 5016 B12R1.57 COc1cc(ccc1C(=O)N)C 7a_100000192831_200000210301 [0,2,0,0,0,0|0,0,0]=2 5017 B12R1.57 COc1cc(ccc1C(=O)N)Cl 34a_100000192836_200000210301 [0,2,0,0,0,0|0,0,0]=2 5018 B12R1.57 COc1cc(ccc1C(=O)N)Cl 7a_100000192836_200000210301 [0,2,0,0,0,0|0,0,0]=2 5019 B12R1.57 COc1cc(ccc1C(=O)N)N 34a_100000223280_200000210301 [0,2,0,0,0,0|0,0,0]=2 5020 B12R1.57 COc1cc(ccc1C(=O)N)N 7a_100000223280_200000210301 [0,2,0,0,0,0|0,0,0]=2 5021 B12R1.57 COc1cc(ccc1C(=O)N)O 271570a_203496583355_100000748320 [0,2,0,0,0,0|0,0,0]=2 5022 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [0,2,0,0,0,0|0,0,0]=2 5023 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,2,0,0,0,0|0,0,0]=2 5024 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,2,0,0,0,0|0,0,0]=2 5025 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [0,2,0,0,0,0|0,0,0]=2 5026 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [0,2,0,0,0,0|0,0,0]=2 5027 B12R1.57 COc1cc(ccc1C(C)C)C 34a_100000185798_200000210301 [0,2,0,0,0,0|1,0,1]=4 5028 B12R1.57 COc1cc(ccc1C(C)C)C 7a_100000185798_200000210301 [0,2,0,0,0,0|1,0,1]=4 5029 B12R1.57 COc1cc(ccc1C(F)F)O 271570a_203496583355_100010146106 [0,2,0,0,0,0|1,0,1]=4 5030 B12R1.57 COc1cc(ccc1N(C)C)Cl 2230a_100000061351_200000210301 [0,2,0,0,0,0|2,0,0]=4 5031 B12R1.57 COc1cc(ccc1N(C)C)Cl 269982a_100000061351_200000210301 [0,2,0,0,0,0|2,0,0]=4 5032 B12R1.57 COc1cc(ccc1N(C)C)Cl 34a_100000061351_200000210301 [0,2,0,0,0,0|2,0,0]=4 5033 B12R1.57 COc1cc(ccc1N(C)C)F 2230a_100020633920_200000210301 [0,2,0,0,0,0|2,0,0]=4 5034 B12R1.57 COc1cc(ccc1N(C)C)F 269982a_100020633920_200000210301 [0,2,0,0,0,0|2,0,0]=4 5035 B12R1.57 COc1cc(ccc1N(C)C)F 34a_100020633920_200000210301 [0,2,0,0,0,0|2,0,0]=4 5036 B12R1.57 COc1cc(ccc1N(C)C)F 38a_100020633920_200000210301 [0,2,0,0,0,0|2,0,0]=4 5037 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 2230a_100000061351_200025704644 [0,2,0,0,0,0|2,0,0]=4 5038 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 269982a_100000061351_200025704644 [0,2,0,0,0,0|2,0,0]=4 5039 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 34a_100000061351_200025704644 [0,2,0,0,0,0|2,0,0]=4 5040 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 2230a_100020633920_200025704644 [0,2,0,0,0,0|2,0,0]=4 5041 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 269982a_100020633920_200025704644 [0,2,0,0,0,0|2,0,0]=4 5042 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 34a_100020633920_200025704644 [0,2,0,0,0,0|2,0,0]=4 5043 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 38a_100020633920_200025704644 [0,2,0,0,0,0|2,0,0]=4 5044 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200000210301 [0,2,0,0,0,0|1,0,0]=3 5045 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 34a_100000195450_200000210301 [0,2,0,0,0,0|1,0,0]=3 5046 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 7a_100000195450_200000210301 [0,2,0,0,0,0|1,0,0]=3 5047 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200000210301 [0,2,0,0,0,0|1,0,0]=3 5048 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200000210301 [0,2,0,0,0,0|1,0,0]=3 5049 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200000210301 [0,2,0,0,0,0|1,0,0]=3 5050 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200000210301 [0,2,0,0,0,0|1,0,0]=3 5051 B12R1.57 COc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200000210301 [0,2,0,0,0,0|1,0,0]=3 5052 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [0,2,0,0,0,0|1,0,0]=3 5053 B12R1.57 COc1cc(cnc1[N+](=O)[O-])Br 7a_100010201919_200000210301 [0,2,0,0,0,0|2,0,0]=4 5054 B12R1.57 COc1cc(cnc1[N+](=O)[O-])Cl 7a_100009862519_200000210301 [0,2,0,0,0,0|2,0,0]=4 5055 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [0,2,0,0,0,0|0,1,0]=3 5056 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [0,2,0,0,0,0|0,1,0]=3 5057 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [0,2,0,0,0,0|0,1,0]=3 5058 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [0,2,0,0,0,0|0,1,0]=3 5059 B12R1.57 CSc1cc(ccc1C(=O)N)Br 62a_100009815748_200000210301 [0,2,0,0,0,0|0,1,0]=3 5060 B12R1.57 CSc1cc(ccc1C(=O)N)F 62a_100000206404_200000210301 [0,2,0,0,0,0|0,1,0]=3 5061 B12R1.57 CSc1cc(ccc1C(=O)N)F 62a_200000210301_100000206404 [0,2,0,0,0,0|0,1,0]=3 5062 B12R1.57 CSc1nc(ccc1C(=O)N)C 62a_100000041523_200000210301 [0,2,0,0,0,0|1,1,0]=4 5063 B12R1.57 CSc1nc(ccc1C(=O)N)C 62a_200000210301_100000041523 [0,2,0,0,0,0|1,1,0]=4 5064 B12R1.57 Cc1ccc(c(c1)C#N)C(=O)[13CH3] 1458a_200012184421_200025704644 [0,2,0,0,0,0|2,0,0]=4 5065 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 34a_100011219537_200025704644 [0,2,0,0,0,0|1,0,0]=3 5066 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 7a_100011219537_200025704644 [0,2,0,0,0,0|1,0,0]=3 5067 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000192831_200025704644 [0,2,0,0,0,0|0,0,0]=2 5068 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000192831_200025704644 [0,2,0,0,0,0|0,0,0]=2 5069 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 34a_100000185798_200025704644 [0,2,0,0,0,0|1,0,1]=4 5070 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 7a_100000185798_200025704644 [0,2,0,0,0,0|1,0,1]=4 5071 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 34a_100000195450_200025704644 [0,2,0,0,0,0|1,0,0]=3 5072 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100000195450_200025704644 [0,2,0,0,0,0|1,0,0]=3 5073 B12R1.57 Cc1ccc(c(n1)S[13CH3])C(=O)N 62a_100000041523_200025704644 [0,2,0,0,0,0|1,1,0]=4 5074 B12R1.57 Cc1ccc(c(n1)S[13CH3])C(=O)N 62a_200025704644_100000041523 [0,2,0,0,0,0|1,1,0]=4 5075 B12R1.57 [13CH3]C(=O)c1ccc(cc1C#N)Br 1458a_100012349539_200025704644 [0,2,0,0,0,0|2,0,0]=4 5076 B12R1.57 [13CH3]C(=O)c1ccc(cc1C#N)F 1458a_100012002388_200025704644 [0,2,0,0,0,0|2,0,0]=4 5077 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [0,2,0,0,0,0|2,0,0]=4 5078 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [0,2,0,0,0,0|2,0,0]=4 5079 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Br 7a_100012349972_200025704644 [0,2,0,0,0,0|1,0,0]=3 5080 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Cl 34a_100000738103_200025704644 [0,2,0,0,0,0|1,0,0]=3 5081 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Cl 7a_100000738103_200025704644 [0,2,0,0,0,0|1,0,0]=3 5082 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)F 34a_100011298637_200025704644 [0,2,0,0,0,0|1,0,0]=3 5083 B12R1.57 [13CH3]Nc1cc(ccc1[N+](=O)[O-])F 34a_100000746377_200025704644 [0,2,0,0,0,0|2,0,0]=4 5084 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 34a_100011550861_200025704644 [0,2,0,0,0,0|0,0,0]=2 5085 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 7a_100011550861_200025704644 [0,2,0,0,0,0|0,0,0]=2 5086 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_200025704644 [0,2,0,0,0,0|0,0,0]=2 5087 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_200025704644 [0,2,0,0,0,0|0,0,0]=2 5088 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 34a_100000223280_200025704644 [0,2,0,0,0,0|0,0,0]=2 5089 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 7a_100000223280_200025704644 [0,2,0,0,0,0|0,0,0]=2 5090 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200025704644 [0,2,0,0,0,0|1,0,0]=3 5091 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200025704644 [0,2,0,0,0,0|1,0,0]=3 5092 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200025704644 [0,2,0,0,0,0|1,0,0]=3 5093 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200025704644 [0,2,0,0,0,0|1,0,0]=3 5094 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200025704644 [0,2,0,0,0,0|1,0,0]=3 5095 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200025704644 [0,2,0,0,0,0|1,0,0]=3 5096 B12R1.57 [13CH3]Oc1cc(cnc1[N+](=O)[O-])Br 7a_100010201919_200025704644 [0,2,0,0,0,0|2,0,0]=4 5097 B12R1.57 [13CH3]Oc1cc(cnc1[N+](=O)[O-])Cl 7a_100009862519_200025704644 [0,2,0,0,0,0|2,0,0]=4 5098 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)Br 62a_100009815748_200025704644 [0,2,0,0,0,0|0,1,0]=3 5099 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)F 62a_100000206404_200025704644 [0,2,0,0,0,0|0,1,0]=3 5100 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)F 62a_200025704644_100000206404 [0,2,0,0,0,0|0,1,0]=3 5101 B12R1.78 C=Cc1cc(ccc1C=O)C#N 271570a_100011290941_100012355658 [0,2,0,0,0,0|1,0,1]=4 5102 B12R1.78 C=Cc1cc(ccc1C=O)C=O 271570a_100011290941_100015597013 [0,2,0,0,0,0|1,0,1]=4 5103 B12R1.78 C=Cc1cc(ccc1C=O)OC 271570a_100011290941_100000723261 [0,2,0,0,0,0|1,0,1]=4 5104 B12R1.78 C=Cc1cc(ccc1NC)C#N 271570a_100011290941_200020994358 [0,2,0,0,0,0|2,0,0]=4 5105 B12R1.78 C=Cc1cc(ccc1NC)C=O 271570a_100011290941_200010290468 [0,2,0,0,0,0|2,0,0]=4 5106 B12R1.78 C=Cc1cc(ccc1OC)C#N 271570a_100011290941_100000188253 [0,2,0,0,0,0|1,0,0]=3 5107 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [0,2,0,0,0,0|1,0,0]=3 5108 B12R1.78 C=Cc1cc(ccc1OC)CC 271570a_100011290941_100010062400 [0,2,0,0,0,0|1,0,0]=3 5109 B12R1.78 C=Cc1cc(ccc1OC)CN 271570a_100011290941_100159240714 [0,2,0,0,0,0|1,0,0]=3 5110 B12R1.78 C=Cc1cc(ccc1OC)CO 271570a_100011290941_100000246451 [0,2,0,0,0,0|1,0,0]=3 5111 B12R1.78 C=Cc1cc(ccc1OC)NC 271570a_100011290941_114948341033 [0,2,0,0,0,0|1,0,0]=3 5112 B12R1.78 C=Cc1cc(ccc1OC)OC 271570a_100011290941_100011215452 [0,2,0,0,0,0|1,0,0]=3 5113 B12R1.78 C=Cc1cc(cnc1OC)C=O 271570a_100011290941_200010064893 [0,2,0,0,0,0|2,0,0]=4 5114 B12R1.78 C=Cc1cc(ncc1OC)C=O 271570a_100011290941_100010893078 [0,2,0,0,0,0|2,0,0]=4 5115 B12R1.78 C=Cc1ccc(c(c1)C#N)C=O 271570a_100011290941_100012001787 [0,2,0,0,0,0|2,0,0]=4 5116 B12R1.78 C=Cc1ccc(c(c1)C#N)OC 271570a_100011290941_100000188252 [0,2,0,0,0,0|1,0,1]=4 5117 B12R1.78 C=Cc1ccc(c(c1)C=O)C#N 271570a_100011290941_100010194279 [0,2,0,0,0,0|2,0,0]=4 5118 B12R1.78 C=Cc1ccc(c(c1)C=O)C=O 271570a_100011290941_200010077131 [0,2,0,0,0,0|2,0,0]=4 5119 B12R1.78 C=Cc1ccc(c(c1)C=O)OC 271570a_100011290941_100000170026 [0,2,0,0,0,0|0,0,0]=2 5120 B12R1.78 C=Cc1ccc(c(c1)CC)C=O 271570a_100011290941_100010209654 [0,2,0,0,0,0|1,0,0]=3 5121 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [0,2,0,0,0,0|1,0,1]=4 5122 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [0,2,0,0,0,0|1,0,1]=4 5123 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [0,2,0,0,0,0|0,0,2]=4 5124 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [0,2,0,0,0,0|1,0,1]=4 5125 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [0,2,0,0,0,0|0,0,0]=2 5126 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [0,2,0,0,0,0|1,0,1]=4 5127 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [0,2,0,0,0,0|0,0,2]=4 5128 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [0,2,0,0,0,0|2,0,0]=4 5129 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [0,2,0,0,0,0|2,0,0]=4 5130 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [0,2,0,0,0,0|2,0,0]=4 5131 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [0,2,0,0,0,0|2,0,0]=4 5132 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [0,2,0,0,0,0|2,0,0]=4 5133 B12R1.78 C=Cc1ccc(c(n1)OC)C=O 271570a_100011290941_100009864722 [0,2,0,0,0,0|1,0,0]=3 5134 B12R1.78 C=Cc1ccc(cc1C=O)C#N 271570a_100011290941_100012179093 [0,2,0,0,0,0|1,0,1]=4 5135 B12R1.78 C=Cc1ccc(cc1C=O)OC 271570a_100011290941_100000691568 [0,2,0,0,0,0|1,0,1]=4 5136 B12R1.78 C=Cc1ccc(cc1CC)C#N 271570a_100011290941_100010115944 [0,2,0,0,0,0|2,0,0]=4 5137 B12R1.78 C=Cc1ccc(cc1CC)OC 271570a_100011290941_100000720562 [0,2,0,0,0,0|2,0,0]=4 5138 B12R1.78 C=Cc1ccc(cc1OC)C#N 271570a_100011290941_100012356288 [0,2,0,0,0,0|1,0,0]=3 5139 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [0,2,0,0,0,0|1,0,0]=3 5140 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [0,2,0,0,0,0|1,0,0]=3 5141 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [0,2,0,0,0,0|1,0,0]=3 5142 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [0,2,0,0,0,0|1,0,0]=3 5143 B12R1.78 C=Cc1ccc(nc1OC)OC 271570a_100011290941_100009816055 [0,2,0,0,0,0|2,0,0]=4 5144 B12R1.78 C=Cc1cnc(c(c1)C=O)OC 271570a_100011290941_100009814609 [0,2,0,0,0,0|1,0,0]=3 5145 B12R1.78 C=Cc1cnc(c(c1)OC)C=O 271570a_100011290941_100010246152 [0,2,0,0,0,0|1,0,0]=3 5146 B12R1.78 C=Cc1cnc(cc1OC)C#N 271570a_100011290941_100010136804 [0,2,0,0,0,0|2,0,0]=4 5147 B12R1.78 C=Cc1cnc(cc1OC)CO 271570a_100011290941_100010999569 [0,2,0,0,0,0|2,0,0]=4 5148 B12R1.78 C=Cc1cnc(cc1OC)OC 271570a_100011290941_100010191559 [0,2,0,0,0,0|2,0,0]=4 5149 B12R1.78 C=Cc1nc(ccc1OC)C=O 271570a_100011290941_100010174741 [0,2,0,0,0,0|2,0,0]=4 5150 B12R1.78 C=Cc1nc(ccc1OC)CO 271570a_100011290941_100009842956 [0,2,0,0,0,0|2,0,0]=4 5151 B12R1.78 C=Cc1ncc(cc1OC)C#N 271570a_100011290941_200009864118 [0,2,0,0,0,0|2,0,0]=4 5152 B12R1.78 CCc1cc(ccc1C=O)SC 62a_100010209654_200000210301 [0,2,0,0,0,0|1,0,0]=3 5153 B12R1.78 CCc1cc(ccc1C=O)SC 62a_200000210301_100010209654 [0,2,0,0,0,0|1,0,0]=3 5154 B12R1.78 CCc1cc(ccc1C=O)S[13CH3] 62a_100010209654_200025704644 [0,2,0,0,0,0|1,0,0]=3 5155 B12R1.78 CCc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010209654 [0,2,0,0,0,0|1,0,0]=3 5156 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [0,2,0,0,0,0|1,0,1]=4 5157 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [0,2,0,0,0,0|1,0,1]=4 5158 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [0,2,0,0,0,0|1,0,1]=4 5159 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [0,2,0,0,0,0|1,0,1]=4 5160 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [0,2,0,0,0,0|2,0,0]=4 5161 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [0,2,0,0,0,0|2,0,0]=4 5162 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [0,2,0,0,0,0|2,0,0]=4 5163 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [0,2,0,0,0,0|2,0,0]=4 5164 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [0,2,0,0,0,0|2,0,0]=4 5165 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [0,2,0,0,0,0|2,0,0]=4 5166 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [0,2,0,0,0,0|2,0,0]=4 5167 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [0,2,0,0,0,0|2,0,0]=4 5168 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [0,2,0,0,0,0|2,0,0]=4 5169 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [0,2,0,0,0,0|2,0,0]=4 5170 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200000210301_200010710389 [0,2,0,0,0,0|2,0,0]=4 5171 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200010710389_200000210301 [0,2,0,0,0,0|2,0,0]=4 5172 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200010710389_200025704644 [0,2,0,0,0,0|2,0,0]=4 5173 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_200010710389 [0,2,0,0,0,0|2,0,0]=4 5174 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [0,2,0,0,0,0|2,0,0]=4 5175 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [0,2,0,0,0,0|2,0,0]=4 5176 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [0,2,0,0,0,0|2,0,0]=4 5177 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [0,2,0,0,0,0|2,0,0]=4 5178 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [0,2,0,0,0,0|2,0,0]=4 5179 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [0,2,0,0,0,0|2,0,0]=4 5180 B12R1.78 CCc1ccc(cc1OC)SC 62a_200000210301_200010710398 [0,2,0,0,0,0|1,0,1]=4 5181 B12R1.78 CCc1ccc(cc1OC)SC 62a_200010710398_200000210301 [0,2,0,0,0,0|1,0,1]=4 5182 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200010710398_200025704644 [0,2,0,0,0,0|1,0,1]=4 5183 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200025704644_200010710398 [0,2,0,0,0,0|1,0,1]=4 5184 B12R1.78 CNc1cc(ccc1OC)C#N 34a_100000747721_200000210301 [0,2,0,0,0,0|2,0,0]=4 5185 B12R1.78 CNc1cc(ccc1OC)C#N 7a_100000747721_200000210301 [0,2,0,0,0,0|2,0,0]=4 5186 B12R1.78 CNc1cc(ccc1OC)CO 2230a_100011269841_200000210301 [0,2,0,0,0,0|2,0,0]=4 5187 B12R1.78 CNc1cc(ccc1OC)CO 34a_100011269841_200000210301 [0,2,0,0,0,0|2,0,0]=4 5188 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [0,2,0,0,0,0|2,0,0]=4 5189 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [0,2,0,0,0,0|2,0,0]=4 5190 B12R1.78 CNc1ccc(c(c1)C#N)OC 34a_100011204338_200000210301 [0,2,0,0,0,0|1,0,1]=4 5191 B12R1.78 CNc1ccc(c(c1)C#N)OC 7a_100011204338_200000210301 [0,2,0,0,0,0|1,0,1]=4 5192 B12R1.78 CNc1ccc(c(c1)OC)C#N 34a_100011999456_200000210301 [0,2,0,0,0,0|1,0,1]=4 5193 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [0,2,0,0,0,0|0,0,2]=4 5194 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [0,2,0,0,0,0|2,0,0]=4 5195 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_114948341033_200000210301 [0,2,0,0,0,0|2,0,0]=4 5196 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_200000210301_114948341033 [0,2,0,0,0,0|2,0,0]=4 5197 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_114948341033_200025704644 [0,2,0,0,0,0|2,0,0]=4 5198 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_200025704644_114948341033 [0,2,0,0,0,0|2,0,0]=4 5199 B12R1.78 CNc1ccc(cc1OC)C#N 34a_100000701993_200000210301 [0,2,0,0,0,0|2,0,0]=4 5200 B12R1.78 CNc1ccc(cc1OC)CO 2230a_100000087641_200000210301 [0,2,0,0,0,0|2,0,0]=4 5201 B12R1.78 CNc1ccc(cc1OC)CO 34a_100000087641_200000210301 [0,2,0,0,0,0|2,0,0]=4 5202 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [0,2,0,0,0,0|2,0,0]=4 5203 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [0,2,0,0,0,0|2,0,0]=4 5204 B12R1.78 CNc1ccc(cc1OC)SC 2230a_100000766855_200000210301 [0,2,0,0,0,0|2,0,0]=4 5205 B12R1.78 CNc1ccc(cc1OC)SC 34a_100000766855_200000210301 [0,2,0,0,0,0|2,0,0]=4 5206 B12R1.78 COc1cc(c(cn1)SC)C=O 62a_100010171658_200000210301 [0,2,0,0,0,0|1,1,0]=4 5207 B12R1.78 COc1cc(c(cn1)SC)C=O 62a_200000210301_100010171658 [0,2,0,0,0,0|1,1,0]=4 5208 B12R1.78 COc1cc(c(cn1)S[13CH3])C=O 62a_100010171658_200025704644 [0,2,0,0,0,0|1,1,0]=4 5209 B12R1.78 COc1cc(c(cn1)S[13CH3])C=O 62a_200025704644_100010171658 [0,2,0,0,0,0|1,1,0]=4 5210 B12R1.78 COc1cc(ccc1C#N)N[13CH3] 34a_100011999456_200025704644 [0,2,0,0,0,0|1,0,1]=4 5211 B12R1.78 COc1cc(ccc1C#N)SC 62a_200000210301_100000694671 [0,2,0,0,0,0|1,0,1]=4 5212 B12R1.78 COc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100000694671 [0,2,0,0,0,0|1,0,1]=4 5213 B12R1.78 COc1cc(ccc1C=O)SC 62a_100000697075_200000210301 [0,2,0,0,0,0|0,0,0]=2 5214 B12R1.78 COc1cc(ccc1C=O)SC 62a_200000210301_100010290300 [0,2,0,0,0,0|0,0,0]=2 5215 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_100000697075_200025704644 [0,2,0,0,0,0|0,0,0]=2 5216 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010290300 [0,2,0,0,0,0|0,0,0]=2 5217 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [0,2,0,0,0,0|0,0,2]=4 5218 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [0,2,0,0,0,0|0,0,2]=4 5219 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [0,2,0,0,0,0|0,0,2]=4 5220 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [0,2,0,0,0,0|0,0,2]=4 5221 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [0,2,0,0,0,0|0,0,2]=4 5222 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [0,2,0,0,0,0|0,0,2]=4 5223 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [0,2,0,0,0,0|0,0,2]=4 5224 B12R1.78 COc1cc(ccc1N[13CH3])C#N 34a_100000701993_200025704644 [0,2,0,0,0,0|2,0,0]=4 5225 B12R1.78 COc1cc(ccc1N[13CH3])CO 2230a_100000087641_200025704644 [0,2,0,0,0,0|2,0,0]=4 5226 B12R1.78 COc1cc(ccc1N[13CH3])CO 34a_100000087641_200025704644 [0,2,0,0,0,0|2,0,0]=4 5227 B12R1.78 COc1cc(ccc1N[13CH3])SC 2230a_100000766855_200025704644 [0,2,0,0,0,0|2,0,0]=4 5228 B12R1.78 COc1cc(ccc1N[13CH3])SC 34a_100000766855_200025704644 [0,2,0,0,0,0|2,0,0]=4 5229 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [0,2,0,0,0,0|2,0,0]=4 5230 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [0,2,0,0,0,0|2,0,0]=4 5231 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [0,2,0,0,0,0|2,0,0]=4 5232 B12R1.78 COc1cc(ccc1SC)C#N 62a_200000210301_100012356288 [0,2,0,0,0,0|2,0,0]=4 5233 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [0,2,0,0,0,0|2,0,0]=4 5234 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [0,2,0,0,0,0|2,0,0]=4 5235 B12R1.78 COc1cc(ccc1SC)CO 62a_100010234685_200000210301 [0,2,0,0,0,0|2,0,0]=4 5236 B12R1.78 COc1cc(ccc1SC)CO 62a_200000210301_100010234685 [0,2,0,0,0,0|2,0,0]=4 5237 B12R1.78 COc1cc(ccc1SC)SC 62a_200011001119_200000210301 [0,2,0,0,0,0|2,0,0]=4 5238 B12R1.78 COc1cc(ccc1SC)S[13CH3] 62a_200011001119_200025704644 [0,2,0,0,0,0|2,0,0]=4 5239 B12R1.78 COc1cc(ccc1S[13CH3])C#N 62a_200025704644_100012356288 [0,2,0,0,0,0|2,0,0]=4 5240 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [0,2,0,0,0,0|2,0,0]=4 5241 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [0,2,0,0,0,0|2,0,0]=4 5242 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_100010234685_200025704644 [0,2,0,0,0,0|2,0,0]=4 5243 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_200025704644_100010234685 [0,2,0,0,0,0|2,0,0]=4 5244 B12R1.78 COc1cc(cnc1C=O)SC 62a_100010246152_200000210301 [0,2,0,0,0,0|1,0,0]=3 5245 B12R1.78 COc1cc(cnc1C=O)SC 62a_200000210301_100010246152 [0,2,0,0,0,0|1,0,0]=3 5246 B12R1.78 COc1cc(cnc1C=O)S[13CH3] 62a_100010246152_200025704644 [0,2,0,0,0,0|1,0,0]=3 5247 B12R1.78 COc1cc(cnc1C=O)S[13CH3] 62a_200025704644_100010246152 [0,2,0,0,0,0|1,0,0]=3 5248 B12R1.78 COc1cc(ncc1C=O)SC 62a_100009846838_200000210301 [0,2,0,0,0,0|1,0,0]=3 5249 B12R1.78 COc1cc(ncc1C=O)SC 62a_200000210301_100009846838 [0,2,0,0,0,0|1,0,0]=3 5250 B12R1.78 COc1cc(ncc1C=O)S[13CH3] 62a_100009846838_200025704644 [0,2,0,0,0,0|1,0,0]=3 5251 B12R1.78 COc1cc(ncc1C=O)S[13CH3] 62a_200025704644_100009846838 [0,2,0,0,0,0|1,0,0]=3 5252 B12R1.78 COc1ccc(c(c1)C#N)OC 34a_200011934229_200000210301 [0,2,0,0,0,0|1,0,1]=4 5253 B12R1.78 COc1ccc(c(c1)C#N)OC 7a_200011934229_200000210301 [0,2,0,0,0,0|1,0,1]=4 5254 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 34a_200011934229_200025704644 [0,2,0,0,0,0|1,0,1]=4 5255 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 7a_200011934229_200025704644 [0,2,0,0,0,0|1,0,1]=4 5256 B12R1.78 COc1ccc(c(c1)C=O)SC 62a_100000691568_200000210301 [0,2,0,0,0,0|0,1,0]=3 5257 B12R1.78 COc1ccc(c(c1)C=O)SC 62a_200000210301_100000691568 [0,2,0,0,0,0|0,1,0]=3 5258 B12R1.78 COc1ccc(c(c1)C=O)S[13CH3] 62a_100000691568_200025704644 [0,2,0,0,0,0|0,1,0]=3 5259 B12R1.78 COc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100000691568 [0,2,0,0,0,0|0,1,0]=3 5260 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [0,2,0,0,0,0|2,0,0]=4 5261 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [0,2,0,0,0,0|2,0,0]=4 5262 B12R1.78 COc1ccc(c(c1)OC)C#N 34a_100011999188_200000210301 [0,2,0,0,0,0|1,0,1]=4 5263 B12R1.78 COc1ccc(c(c1)OC)C#N 7a_100011999188_200000210301 [0,2,0,0,0,0|1,0,1]=4 5264 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [0,2,0,0,0,0|0,0,2]=4 5265 B12R1.78 COc1ccc(c(c1)OC)N=O 34a_200010658452_200000210301 [0,2,0,0,0,0|1,0,0]=3 5266 B12R1.78 COc1ccc(c(c1)OC)N=O 7a_200010658452_200000210301 [0,2,0,0,0,0|1,0,0]=3 5267 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [0,2,0,0,0,0|2,0,0]=4 5268 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [0,2,0,0,0,0|2,0,0]=4 5269 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [0,2,0,0,0,0|2,0,0]=4 5270 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [0,2,0,0,0,0|2,0,0]=4 5271 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [0,2,0,0,0,0|2,0,0]=4 5272 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [0,2,0,0,0,0|2,0,0]=4 5273 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [0,2,0,0,0,0|2,0,0]=4 5274 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [0,2,0,0,0,0|2,0,0]=4 5275 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [0,2,0,0,0,0|2,0,0]=4 5276 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [0,2,0,0,0,0|2,0,0]=4 5277 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 34a_100011999188_200025704644 [0,2,0,0,0,0|1,0,1]=4 5278 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 7a_100011999188_200025704644 [0,2,0,0,0,0|1,0,1]=4 5279 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 34a_200010658452_200025704644 [0,2,0,0,0,0|1,0,0]=3 5280 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 7a_200010658452_200025704644 [0,2,0,0,0,0|1,0,0]=3 5281 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [0,2,0,0,0,0|2,0,0]=4 5282 B12R1.78 COc1ccc(c(c1)SC)C=O 62a_100000723261_200000210301 [0,2,0,0,0,0|0,1,0]=3 5283 B12R1.78 COc1ccc(c(c1)SC)C=O 62a_200000210301_100000723261 [0,2,0,0,0,0|0,1,0]=3 5284 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [0,2,0,0,0,0|2,0,0]=4 5285 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [0,2,0,0,0,0|2,0,0]=4 5286 B12R1.78 COc1ccc(c(c1)S[13CH3])C=O 62a_100000723261_200025704644 [0,2,0,0,0,0|0,1,0]=3 5287 B12R1.78 COc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100000723261 [0,2,0,0,0,0|0,1,0]=3 5288 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [0,2,0,0,0,0|2,0,0]=4 5289 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [0,2,0,0,0,0|2,0,0]=4 5290 B12R1.78 COc1ccc(c(n1)C=O)SC 62a_200010173843_200000210301 [0,2,0,0,0,0|1,1,0]=4 5291 B12R1.78 COc1ccc(c(n1)C=O)S[13CH3] 62a_200010173843_200025704644 [0,2,0,0,0,0|1,1,0]=4 5292 B12R1.78 COc1ccc(c(n1)SC)C=O 62a_100012351648_200000210301 [0,2,0,0,0,0|1,1,0]=4 5293 B12R1.78 COc1ccc(c(n1)SC)C=O 62a_200000210301_100012351648 [0,2,0,0,0,0|1,1,0]=4 5294 B12R1.78 COc1ccc(c(n1)S[13CH3])C=O 62a_100012351648_200025704644 [0,2,0,0,0,0|1,1,0]=4 5295 B12R1.78 COc1ccc(c(n1)S[13CH3])C=O 62a_200025704644_100012351648 [0,2,0,0,0,0|1,1,0]=4 5296 B12R1.78 COc1ccc(cc1C#N)C#N 34a_200012183189_200000210301 [0,2,0,0,0,0|1,0,1]=4 5297 B12R1.78 COc1ccc(cc1C#N)C#N 7a_200012183189_200000210301 [0,2,0,0,0,0|1,0,1]=4 5298 B12R1.78 COc1ccc(cc1C#N)N[13CH3] 34a_100011204338_200025704644 [0,2,0,0,0,0|1,0,1]=4 5299 B12R1.78 COc1ccc(cc1C#N)N[13CH3] 7a_100011204338_200025704644 [0,2,0,0,0,0|1,0,1]=4 5300 B12R1.78 COc1ccc(cc1C#N)SC 62a_200000210301_100000188252 [0,2,0,0,0,0|1,0,1]=4 5301 B12R1.78 COc1ccc(cc1C#N)S[13CH3] 62a_200025704644_100000188252 [0,2,0,0,0,0|1,0,1]=4 5302 B12R1.78 COc1ccc(cc1C=O)SC 62a_100000170026_200000210301 [0,2,0,0,0,0|0,0,0]=2 5303 B12R1.78 COc1ccc(cc1C=O)SC 62a_200000210301_100000170026 [0,2,0,0,0,0|0,0,0]=2 5304 B12R1.78 COc1ccc(cc1C=O)S[13CH3] 62a_100000170026_200025704644 [0,2,0,0,0,0|0,0,0]=2 5305 B12R1.78 COc1ccc(cc1C=O)S[13CH3] 62a_200025704644_100000170026 [0,2,0,0,0,0|0,0,0]=2 5306 B12R1.78 COc1ccc(cc1CN)SC 62a_100000690498_200000210301 [0,2,0,0,0,0|1,0,1]=4 5307 B12R1.78 COc1ccc(cc1CN)SC 62a_200000210301_100000690498 [0,2,0,0,0,0|1,0,1]=4 5308 B12R1.78 COc1ccc(cc1CN)S[13CH3] 62a_100000690498_200025704644 [0,2,0,0,0,0|1,0,1]=4 5309 B12R1.78 COc1ccc(cc1CN)S[13CH3] 62a_200025704644_100000690498 [0,2,0,0,0,0|1,0,1]=4 5310 B12R1.78 COc1ccc(cc1CO)SC 62a_100000204679_200000210301 [0,2,0,0,0,0|0,0,2]=4 5311 B12R1.78 COc1ccc(cc1CO)SC 62a_200000210301_100000204679 [0,2,0,0,0,0|0,0,2]=4 5312 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_100000204679_200025704644 [0,2,0,0,0,0|0,0,2]=4 5313 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_200025704644_100000204679 [0,2,0,0,0,0|0,0,2]=4 5314 B12R1.78 COc1ccc(cc1N[13CH3])C#N 34a_100000747721_200025704644 [0,2,0,0,0,0|2,0,0]=4 5315 B12R1.78 COc1ccc(cc1N[13CH3])C#N 7a_100000747721_200025704644 [0,2,0,0,0,0|2,0,0]=4 5316 B12R1.78 COc1ccc(cc1N[13CH3])CO 2230a_100011269841_200025704644 [0,2,0,0,0,0|2,0,0]=4 5317 B12R1.78 COc1ccc(cc1N[13CH3])CO 34a_100011269841_200025704644 [0,2,0,0,0,0|2,0,0]=4 5318 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [0,2,0,0,0,0|2,0,0]=4 5319 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [0,2,0,0,0,0|2,0,0]=4 5320 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [0,2,0,0,0,0|2,0,0]=4 5321 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [0,2,0,0,0,0|2,0,0]=4 5322 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [0,2,0,0,0,0|2,0,0]=4 5323 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [0,2,0,0,0,0|2,0,0]=4 5324 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [0,2,0,0,0,0|2,0,0]=4 5325 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [0,2,0,0,0,0|2,0,0]=4 5326 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [0,2,0,0,0,0|2,0,0]=4 5327 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [0,2,0,0,0,0|2,0,0]=4 5328 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [0,2,0,0,0,0|2,0,0]=4 5329 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [0,2,0,0,0,0|2,0,0]=4 5330 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [0,2,0,0,0,0|2,0,0]=4 5331 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [0,2,0,0,0,0|2,0,0]=4 5332 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [0,2,0,0,0,0|2,0,0]=4 5333 B12R1.78 COc1ccc(cc1SC)C#N 62a_200000210301_100000188253 [0,2,0,0,0,0|2,0,0]=4 5334 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [0,2,0,0,0,0|2,0,0]=4 5335 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [0,2,0,0,0,0|2,0,0]=4 5336 B12R1.78 COc1ccc(cc1SC)CN 62a_100159240714_200000210301 [0,2,0,0,0,0|2,0,0]=4 5337 B12R1.78 COc1ccc(cc1SC)CN 62a_200000210301_100159240714 [0,2,0,0,0,0|2,0,0]=4 5338 B12R1.78 COc1ccc(cc1SC)CO 62a_100000246451_200000210301 [0,2,0,0,0,0|2,0,0]=4 5339 B12R1.78 COc1ccc(cc1SC)CO 62a_200000210301_100000246451 [0,2,0,0,0,0|2,0,0]=4 5340 B12R1.78 COc1ccc(cc1SC)SC 62a_200009892704_200000210301 [0,2,0,0,0,0|2,0,0]=4 5341 B12R1.78 COc1ccc(cc1SC)S[13CH3] 62a_200009892704_200025704644 [0,2,0,0,0,0|2,0,0]=4 5342 B12R1.78 COc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000188253 [0,2,0,0,0,0|2,0,0]=4 5343 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [0,2,0,0,0,0|2,0,0]=4 5344 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [0,2,0,0,0,0|2,0,0]=4 5345 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_100159240714_200025704644 [0,2,0,0,0,0|2,0,0]=4 5346 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_200025704644_100159240714 [0,2,0,0,0,0|2,0,0]=4 5347 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_100000246451_200025704644 [0,2,0,0,0,0|2,0,0]=4 5348 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_200025704644_100000246451 [0,2,0,0,0,0|2,0,0]=4 5349 B12R1.78 COc1ccc(nc1C=O)SC 62a_200010137984_200000210301 [0,2,0,0,0,0|1,0,0]=3 5350 B12R1.78 COc1ccc(nc1C=O)S[13CH3] 62a_200010137984_200025704644 [0,2,0,0,0,0|1,0,0]=3 5351 B12R1.78 COc1cnc(c(c1)SC)C=O 62a_200000210301_200010135874 [0,2,0,0,0,0|1,1,0]=4 5352 B12R1.78 COc1cnc(c(c1)SC)C=O 62a_200010135874_200000210301 [0,2,0,0,0,0|1,1,0]=4 5353 B12R1.78 COc1cnc(c(c1)S[13CH3])C=O 62a_200010135874_200025704644 [0,2,0,0,0,0|1,1,0]=4 5354 B12R1.78 COc1cnc(c(c1)S[13CH3])C=O 62a_200025704644_200010135874 [0,2,0,0,0,0|1,1,0]=4 5355 B12R1.78 COc1nc(ccc1C=O)SC 62a_100009864722_200000210301 [0,2,0,0,0,0|1,0,0]=3 5356 B12R1.78 COc1nc(ccc1C=O)SC 62a_200000210301_100009864722 [0,2,0,0,0,0|1,0,0]=3 5357 B12R1.78 COc1nc(ccc1C=O)S[13CH3] 62a_100009864722_200025704644 [0,2,0,0,0,0|1,0,0]=3 5358 B12R1.78 COc1nc(ccc1C=O)S[13CH3] 62a_200025704644_100009864722 [0,2,0,0,0,0|1,0,0]=3 5359 B12R1.78 COc1ncc(cc1C=O)SC 62a_100009814609_200000210301 [0,2,0,0,0,0|1,0,0]=3 5360 B12R1.78 COc1ncc(cc1C=O)SC 62a_200000210301_100009814609 [0,2,0,0,0,0|1,0,0]=3 5361 B12R1.78 COc1ncc(cc1C=O)S[13CH3] 62a_100009814609_200025704644 [0,2,0,0,0,0|1,0,0]=3 5362 B12R1.78 COc1ncc(cc1C=O)S[13CH3] 62a_200025704644_100009814609 [0,2,0,0,0,0|1,0,0]=3 5363 B12R1.78 CSc1cc(ccc1C=O)C#N 62a_200000210301_100012355658 [0,2,0,0,0,0|0,1,0]=3 5364 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_100015597013_200000210301 [0,2,0,0,0,0|0,1,0]=3 5365 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_200000210301_100015597013 [0,2,0,0,0,0|0,1,0]=3 5366 B12R1.78 CSc1ccc(c(c1)C#N)C=O 62a_200000210301_100012001787 [0,2,0,0,0,0|2,0,0]=4 5367 B12R1.78 CSc1ccc(c(c1)C=O)C#N 62a_200000210301_100010194279 [0,2,0,0,0,0|2,0,0]=4 5368 B12R1.78 CSc1ccc(c(c1)C=O)C=O 62a_200010077131_200000210301 [0,2,0,0,0,0|2,0,0]=4 5369 B12R1.78 CSc1ccc(cc1C=O)C#N 62a_200000210301_100012179093 [0,2,0,0,0,0|0,1,0]=3 5370 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [0,2,0,0,0,0|0,0,2]=4 5371 B12R1.78 [13CH3]Oc1ccc(cc1C#N)C#N 34a_200012183189_200025704644 [0,2,0,0,0,0|1,0,1]=4 5372 B12R1.78 [13CH3]Oc1ccc(cc1C#N)C#N 7a_200012183189_200025704644 [0,2,0,0,0,0|1,0,1]=4 5373 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C#N 62a_200025704644_100012355658 [0,2,0,0,0,0|0,1,0]=3 5374 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_100015597013_200025704644 [0,2,0,0,0,0|0,1,0]=3 5375 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_200025704644_100015597013 [0,2,0,0,0,0|0,1,0]=3 5376 B12R1.78 [13CH3]Sc1ccc(c(c1)C#N)C=O 62a_200025704644_100012001787 [0,2,0,0,0,0|2,0,0]=4 5377 B12R1.78 [13CH3]Sc1ccc(c(c1)C=O)C#N 62a_200025704644_100010194279 [0,2,0,0,0,0|2,0,0]=4 5378 B12R1.78 [13CH3]Sc1ccc(c(c1)C=O)C=O 62a_200010077131_200025704644 [0,2,0,0,0,0|2,0,0]=4 5379 B12R1.78 [13CH3]Sc1ccc(cc1C=O)C#N 62a_200025704644_100012179093 [0,2,0,0,0,0|0,1,0]=3 5380 B12R1.112 C=C=Cc1ccc(cc1C=O)Br 271570a_100015277604_100010185651 [0,2,0,0,0,0|1,0,1]=4 5381 B12R1.112 C=C=Cc1ccc(cc1C=O)C 271570a_100015277604_100011551863 [0,2,0,0,0,0|1,0,1]=4 5382 B12R1.112 C=C=Cc1ccc(cc1C=O)Cl 271570a_100015277604_100010254386 [0,2,0,0,0,0|1,0,1]=4 5383 B12R1.112 C=C=Cc1ccc(cc1C=O)F 271570a_100015277604_100011218309 [0,2,0,0,0,0|1,0,1]=4 5384 B12R1.112 C=C=Cc1ccc(cc1C=O)O 271570a_100015277604_100000690577 [0,2,0,0,0,0|1,0,1]=4 5385 B12R1.112 C=C=Cc1ccc(cc1CC)Br 271570a_100015277604_100011216195 [0,2,0,0,0,0|2,0,0]=4 5386 B12R1.112 C=C=Cc1ccc(cc1CC)N 271570a_100015277604_100010109747 [0,2,0,0,0,0|2,0,0]=4 5387 B12R1.112 C=C=Cc1ccc(cc1NC)F 271570a_100015277604_100020633008 [0,2,0,0,0,0|2,0,0]=4 5388 B12R1.112 C=C=Cc1ccc(cc1OC)Br 271570a_100015277604_100010245111 [0,2,0,0,0,0|1,0,0]=3 5389 B12R1.112 C=C=Cc1ccc(cc1OC)C 271570a_100015277604_100010200004 [0,2,0,0,0,0|1,0,0]=3 5390 B12R1.112 C=C=Cc1ccc(cc1OC)Cl 271570a_100015277604_100000050115 [0,2,0,0,0,0|1,0,0]=3 5391 B12R1.112 C=C=Cc1ccc(cc1OC)F 271570a_100015277604_100000757151 [0,2,0,0,0,0|1,0,0]=3 5392 B12R1.112 C=C=Cc1ccc(cc1OC)N 271570a_100015277604_100000765947 [0,2,0,0,0,0|1,0,0]=3 5393 B12R1.112 C=C=Cc1ccc(cc1OC)O 271570a_100015277604_100011827694 [0,2,0,0,0,0|1,0,0]=3 5394 B12R1.112 C=C=Cc1ccc(cc1SC)C 271570a_100015277604_200010709736 [0,2,0,0,0,0|1,1,0]=4 5395 B12R1.112 C=C=Cc1ccc(nc1OC)C 271570a_100015277604_100010138632 [0,2,0,0,0,0|2,0,0]=4 5396 B12R1.112 C=C=Cc1ccc(nc1OC)N 271570a_100015277604_100010187630 [0,2,0,0,0,0|2,0,0]=4 5397 B12R1.112 C=C=Cc1cnc(cc1OC)C 271570a_100015277604_100000717771 [0,2,0,0,0,0|2,0,0]=4 5398 B12R1.112 C=C=Cc1cnc(cc1OC)Cl 271570a_100015277604_100010154656 [0,2,0,0,0,0|2,0,0]=4 5399 B12R1.112 C=C=Cc1cnc(cc1OC)F 271570a_100015277604_100010135560 [0,2,0,0,0,0|2,0,0]=4 5400 B12R1.112 C=C=Cc1cnc(cc1OC)N 271570a_100015277604_100015506990 [0,2,0,0,0,0|2,0,0]=4 5401 B12R1.112 C=C=Cc1ncc(cc1OC)C 271570a_100015277604_200000118316 [0,2,0,0,0,0|2,0,0]=4 5402 B12R1.112 C=C=Cc1ncc(cc1OC)F 271570a_100015277604_100009867738 [0,2,0,0,0,0|2,0,0]=4 5403 B12R1.112 C=C=Cc1ncc(cc1OC)N 271570a_100015277604_100000097218 [0,2,0,0,0,0|2,0,0]=4 5404 B12R1.112 C=Cc1cc(ccc1CNC)F 271570a_100011290941_200011192132 [0,2,0,0,0,0|2,0,0]=4 5405 B12R1.112 C=Cc1cc(ccc1OCC)C 271570a_100011290941_200000230997 [0,2,0,0,0,0|1,0,0]=3 5406 B12R1.112 C=Cc1cc(ccc1OCC)F 271570a_100011290941_100000171695 [0,2,0,0,0,0|1,0,0]=3 5407 B12R1.112 C=Cc1cc(ccc1SCC)F 62a_100000210202_100012356183 [0,2,0,0,0,0|1,1,0]=4 5408 B12R1.112 C=Cc1cc(ccc1SCC)F 62a_100012356183_100000210202 [0,2,0,0,0,0|1,1,0]=4 5409 B12R1.112 C=Cc1cc(ccc1SCF)F 62a_100012356183_100015361967 [0,2,0,0,0,0|1,1,0]=4 5410 B12R1.112 C=Cc1cc(ccc1SCF)F 62a_100015361967_100012356183 [0,2,0,0,0,0|1,1,0]=4 5411 B12R1.112 C=Cc1cc(cnc1OCC)Br 271570a_100011290941_200010177599 [0,2,0,0,0,0|2,0,0]=4 5412 B12R1.112 CC=Cc1ccc(cc1C=O)Br 271570a_100016259895_100010185651 [0,2,0,0,0,0|1,0,0]=3 5413 B12R1.112 CC=Cc1ccc(cc1C=O)C 271570a_100016259895_100011551863 [0,2,0,0,0,0|1,0,0]=3 5414 B12R1.112 CC=Cc1ccc(cc1C=O)Cl 271570a_100016259895_100010254386 [0,2,0,0,0,0|1,0,0]=3 5415 B12R1.112 CC=Cc1ccc(cc1C=O)F 271570a_100016259895_100011218309 [0,2,0,0,0,0|1,0,0]=3 5416 B12R1.112 CC=Cc1ccc(cc1C=O)O 271570a_100016259895_100000690577 [0,2,0,0,0,0|1,0,0]=3 5417 B12R1.112 CC=Cc1ccc(cc1CC)Br 271570a_100016259895_100011216195 [0,2,0,0,0,0|2,0,0]=4 5418 B12R1.112 CC=Cc1ccc(cc1CC)N 271570a_100016259895_100010109747 [0,2,0,0,0,0|2,0,0]=4 5419 B12R1.112 CC=Cc1ccc(cc1NC)F 271570a_100016259895_100020633008 [0,2,0,0,0,0|2,0,0]=4 5420 B12R1.112 CC=Cc1ccc(cc1OC)Br 271570a_100016259895_100010245111 [0,2,0,0,0,0|1,0,0]=3 5421 B12R1.112 CC=Cc1ccc(cc1OC)C 271570a_100016259895_100010200004 [0,2,0,0,0,0|1,0,0]=3 5422 B12R1.112 CC=Cc1ccc(cc1OC)Cl 271570a_100016259895_100000050115 [0,2,0,0,0,0|1,0,0]=3 5423 B12R1.112 CC=Cc1ccc(cc1OC)F 271570a_100016259895_100000757151 [0,2,0,0,0,0|1,0,0]=3 5424 B12R1.112 CC=Cc1ccc(cc1OC)N 271570a_100016259895_100000765947 [0,2,0,0,0,0|1,0,0]=3 5425 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [0,2,0,0,0,0|1,0,0]=3 5426 B12R1.112 CC=Cc1ccc(cc1SC)C 271570a_100016259895_200010709736 [0,2,0,0,0,0|1,1,0]=4 5427 B12R1.112 CC=Cc1ccc(nc1C=O)C 271570a_100016259895_100010173661 [0,2,0,0,0,0|2,0,0]=4 5428 B12R1.112 CC=Cc1ccc(nc1OC)C 271570a_100016259895_100010138632 [0,2,0,0,0,0|2,0,0]=4 5429 B12R1.112 CC=Cc1ccc(nc1OC)N 271570a_100016259895_100010187630 [0,2,0,0,0,0|2,0,0]=4 5430 B12R1.112 CC=Cc1cnc(cc1OC)C 271570a_100016259895_100000717771 [0,2,0,0,0,0|2,0,0]=4 5431 B12R1.112 CC=Cc1cnc(cc1OC)Cl 271570a_100016259895_100010154656 [0,2,0,0,0,0|2,0,0]=4 5432 B12R1.112 CC=Cc1cnc(cc1OC)F 271570a_100016259895_100010135560 [0,2,0,0,0,0|2,0,0]=4 5433 B12R1.112 CC=Cc1cnc(cc1OC)N 271570a_100016259895_100015506990 [0,2,0,0,0,0|2,0,0]=4 5434 B12R1.112 CC=Cc1ncc(cc1C=O)C 271570a_100016259895_100000050350 [0,2,0,0,0,0|2,0,0]=4 5435 B12R1.112 CC=Cc1ncc(cc1C=O)F 271570a_100016259895_100000079965 [0,2,0,0,0,0|2,0,0]=4 5436 B12R1.112 CC=Cc1ncc(cc1OC)C 271570a_100016259895_200000118316 [0,2,0,0,0,0|2,0,0]=4 5437 B12R1.112 CC=Cc1ncc(cc1OC)F 271570a_100016259895_100009867738 [0,2,0,0,0,0|2,0,0]=4 5438 B12R1.112 CC=Cc1ncc(cc1OC)N 271570a_100016259895_100000097218 [0,2,0,0,0,0|2,0,0]=4 5439 B12R1.112 CCNc1ccc(cc1OC)Br 34a_100011279103_100000210202 [0,2,0,0,0,0|1,0,1]=4 5440 B12R1.112 CCNc1ccc(cc1OC)C 2230a_100000746441_100000210202 [0,2,0,0,0,0|1,0,1]=4 5441 B12R1.112 CCNc1ccc(cc1OC)C 34a_100000746441_100000210202 [0,2,0,0,0,0|1,0,1]=4 5442 B12R1.112 CCNc1ccc(cc1OC)Cl 34a_100000707585_100000210202 [0,2,0,0,0,0|1,0,1]=4 5443 B12R1.112 CCNc1ccc(cc1OC)F 34a_100000737216_100000210202 [0,2,0,0,0,0|1,0,1]=4 5444 B12R1.112 CCNc1ccc(cc1OC)I 34a_100015196925_100000210202 [0,2,0,0,0,0|1,0,1]=4 5445 B12R1.112 CCNc1ccc(cc1OC)O 34a_100015326901_100000210202 [0,2,0,0,0,0|1,0,1]=4 5446 B12R1.112 CCOc1ccc(cc1C#N)Br 34a_100000687585_100000210202 [0,2,0,0,0,0|1,0,1]=4 5447 B12R1.112 CCOc1ccc(cc1C#N)Br 7a_100000687585_100000210202 [0,2,0,0,0,0|1,0,1]=4 5448 B12R1.112 CCOc1ccc(cc1C#N)C 34a_200012180384_100000210202 [0,2,0,0,0,0|1,0,1]=4 5449 B12R1.112 CCOc1ccc(cc1C#N)C 7a_200012180384_100000210202 [0,2,0,0,0,0|1,0,1]=4 5450 B12R1.112 CCOc1ccc(cc1C#N)Cl 34a_100011219380_100000210202 [0,2,0,0,0,0|1,0,1]=4 5451 B12R1.112 CCOc1ccc(cc1C#N)Cl 7a_100011219380_100000210202 [0,2,0,0,0,0|1,0,1]=4 5452 B12R1.112 CCOc1ccc(cc1C#N)F 34a_100011900173_100000210202 [0,2,0,0,0,0|1,0,1]=4 5453 B12R1.112 CCOc1ccc(cc1C#N)F 7a_100011900173_100000210202 [0,2,0,0,0,0|1,0,1]=4 5454 B12R1.112 CCOc1ccc(cc1C#N)I 34a_200000049958_100000210202 [0,2,0,0,0,0|1,0,1]=4 5455 B12R1.112 CCOc1ccc(cc1C#N)I 7a_200000049958_100000210202 [0,2,0,0,0,0|1,0,1]=4 5456 B12R1.112 CCOc1ccc(cc1C#N)N 34a_100011249283_100000210202 [0,2,0,0,0,0|1,0,1]=4 5457 B12R1.112 CCOc1ccc(cc1C#N)N 7a_100011249283_100000210202 [0,2,0,0,0,0|1,0,1]=4 5458 B12R1.112 CCOc1ccc(cc1C#N)O 271570a_203496583355_100000188824 [0,2,0,0,0,0|1,0,1]=4 5459 B12R1.112 CCOc1ccc(cc1C=O)O 271570a_203496583355_100000170027 [0,2,0,0,0,0|0,0,0]=2 5460 B12R1.112 CCOc1ccc(cc1CBr)F 34a_100010161318_100000210202 [0,2,0,0,0,0|1,0,1]=4 5461 B12R1.112 CCOc1ccc(cc1CBr)F 7a_100010161318_100000210202 [0,2,0,0,0,0|1,0,1]=4 5462 B12R1.112 CCOc1ccc(cc1CC)Br 34a_100012338938_100000210202 [0,2,0,0,0,0|1,0,1]=4 5463 B12R1.112 CCOc1ccc(cc1CC)Br 7a_100012338938_100000210202 [0,2,0,0,0,0|1,0,1]=4 5464 B12R1.112 CCOc1ccc(cc1CC)C 34a_100009844793_100000210202 [0,2,0,0,0,0|1,0,1]=4 5465 B12R1.112 CCOc1ccc(cc1CC)C 7a_100009844793_100000210202 [0,2,0,0,0,0|1,0,1]=4 5466 B12R1.112 CCOc1ccc(cc1CC)F 34a_200000035566_100000210202 [0,2,0,0,0,0|1,0,1]=4 5467 B12R1.112 CCOc1ccc(cc1CC)F 7a_200000035566_100000210202 [0,2,0,0,0,0|1,0,1]=4 5468 B12R1.112 CCOc1ccc(cc1CC)O 271570a_203496583355_200010070707 [0,2,0,0,0,0|1,0,1]=4 5469 B12R1.112 CCOc1ccc(cc1CN)Br 34a_100000730032_100000210202 [0,2,0,0,0,0|1,0,1]=4 5470 B12R1.112 CCOc1ccc(cc1CN)Cl 34a_100000238540_100000210202 [0,2,0,0,0,0|1,0,1]=4 5471 B12R1.112 CCOc1ccc(cc1CO)Br 34a_100000184703_100000210202 [0,2,0,0,0,0|0,0,2]=4 5472 B12R1.112 CCOc1ccc(cc1CO)Br 7a_100000184703_100000210202 [0,2,0,0,0,0|0,0,2]=4 5473 B12R1.112 CCOc1ccc(cc1CO)C 34a_200011846009_100000210202 [0,2,0,0,0,0|0,0,2]=4 5474 B12R1.112 CCOc1ccc(cc1CO)C 7a_200011846009_100000210202 [0,2,0,0,0,0|0,0,2]=4 5475 B12R1.112 CCOc1ccc(cc1CO)Cl 34a_100011218961_100000210202 [0,2,0,0,0,0|0,0,2]=4 5476 B12R1.112 CCOc1ccc(cc1CO)Cl 7a_100011218961_100000210202 [0,2,0,0,0,0|0,0,2]=4 5477 B12R1.112 CCOc1ccc(cc1CO)F 34a_100011291448_100000210202 [0,2,0,0,0,0|0,0,2]=4 5478 B12R1.112 CCOc1ccc(cc1CO)F 7a_100011291448_100000210202 [0,2,0,0,0,0|0,0,2]=4 5479 B12R1.112 CCOc1ccc(cc1CO)I 34a_100000049520_100000210202 [0,2,0,0,0,0|0,0,2]=4 5480 B12R1.112 CCOc1ccc(cc1CO)I 7a_100000049520_100000210202 [0,2,0,0,0,0|0,0,2]=4 5481 B12R1.112 CCOc1ccc(cc1NC)Br 2230a_100000751366_200000210301 [0,2,0,0,0,0|2,0,0]=4 5482 B12R1.112 CCOc1ccc(cc1NC)Br 34a_100000751366_200000210301 [0,2,0,0,0,0|2,0,0]=4 5483 B12R1.112 CCOc1ccc(cc1NC)C 2230a_100011202655_200000210301 [0,2,0,0,0,0|2,0,0]=4 5484 B12R1.112 CCOc1ccc(cc1NC)C 34a_100011202655_200000210301 [0,2,0,0,0,0|2,0,0]=4 5485 B12R1.112 CCOc1ccc(cc1NC)Cl 2230a_100000742605_200000210301 [0,2,0,0,0,0|2,0,0]=4 5486 B12R1.112 CCOc1ccc(cc1NC)Cl 34a_100000742605_200000210301 [0,2,0,0,0,0|2,0,0]=4 5487 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 2230a_100000751366_200025704644 [0,2,0,0,0,0|2,0,0]=4 5488 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 34a_100000751366_200025704644 [0,2,0,0,0,0|2,0,0]=4 5489 B12R1.112 CCOc1ccc(cc1N[13CH3])C 2230a_100011202655_200025704644 [0,2,0,0,0,0|2,0,0]=4 5490 B12R1.112 CCOc1ccc(cc1N[13CH3])C 34a_100011202655_200025704644 [0,2,0,0,0,0|2,0,0]=4 5491 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 2230a_100000742605_200025704644 [0,2,0,0,0,0|2,0,0]=4 5492 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 34a_100000742605_200025704644 [0,2,0,0,0,0|2,0,0]=4 5493 B12R1.112 CCOc1ccc(cc1OC)Br 34a_100000694246_100000210202 [0,2,0,0,0,0|1,0,1]=4 5494 B12R1.112 CCOc1ccc(cc1OC)Br 7a_100000694246_100000210202 [0,2,0,0,0,0|1,0,1]=4 5495 B12R1.112 CCOc1ccc(cc1OC)C 34a_100000186466_100000210202 [0,2,0,0,0,0|1,0,1]=4 5496 B12R1.112 CCOc1ccc(cc1OC)Cl 34a_100000033002_100000210202 [0,2,0,0,0,0|1,0,1]=4 5497 B12R1.112 CCOc1ccc(cc1OC)F 34a_100000036057_100000210202 [0,2,0,0,0,0|1,0,1]=4 5498 B12R1.112 CCOc1ccc(cc1OC)F 7a_100000036057_100000210202 [0,2,0,0,0,0|1,0,1]=4 5499 B12R1.112 CCOc1ccc(cc1OC)I 34a_100000049635_100000210202 [0,2,0,0,0,0|1,0,1]=4 5500 B12R1.112 CCOc1ccc(cc1OC)N 34a_100000726020_100000210202 [0,2,0,0,0,0|1,0,1]=4 5501 B12R1.112 CCOc1ccc(cc1OC)O 271570a_203496583355_200012344064 [0,2,0,0,0,0|1,0,1]=4 5502 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000210301_200000230997 [0,2,0,0,0,0|2,0,0]=4 5503 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000230997_200000210301 [0,2,0,0,0,0|2,0,0]=4 5504 B12R1.112 CCOc1ccc(cc1SC)F 62a_100000171695_200000210301 [0,2,0,0,0,0|2,0,0]=4 5505 B12R1.112 CCOc1ccc(cc1SC)F 62a_200000210301_100000171695 [0,2,0,0,0,0|2,0,0]=4 5506 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200000230997_200025704644 [0,2,0,0,0,0|2,0,0]=4 5507 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200025704644_200000230997 [0,2,0,0,0,0|2,0,0]=4 5508 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_100000171695_200025704644 [0,2,0,0,0,0|2,0,0]=4 5509 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_200025704644_100000171695 [0,2,0,0,0,0|2,0,0]=4 5510 B12R1.112 CCSc1ccc(cc1C=O)Br 62a_100000210202_100010185651 [0,2,0,0,0,0|0,1,0]=3 5511 B12R1.112 CCSc1ccc(cc1C=O)Br 62a_100010185651_100000210202 [0,2,0,0,0,0|0,1,0]=3 5512 B12R1.112 CCSc1ccc(cc1C=O)C 62a_100000210202_100011551863 [0,2,0,0,0,0|0,1,0]=3 5513 B12R1.112 CCSc1ccc(cc1C=O)C 62a_100011551863_100000210202 [0,2,0,0,0,0|0,1,0]=3 5514 B12R1.112 CCSc1ccc(cc1C=O)Cl 62a_100000210202_100010254386 [0,2,0,0,0,0|0,1,0]=3 5515 B12R1.112 CCSc1ccc(cc1C=O)Cl 62a_100010254386_100000210202 [0,2,0,0,0,0|0,1,0]=3 5516 B12R1.112 CCSc1ccc(cc1C=O)F 62a_100000210202_100011218309 [0,2,0,0,0,0|0,1,0]=3 5517 B12R1.112 CCSc1ccc(cc1C=O)F 62a_100011218309_100000210202 [0,2,0,0,0,0|0,1,0]=3 5518 B12R1.112 CCSc1ccc(cc1C=O)O 62a_100000210202_100000690577 [0,2,0,0,0,0|0,1,0]=3 5519 B12R1.112 CCSc1ccc(cc1C=O)O 62a_100000690577_100000210202 [0,2,0,0,0,0|0,1,0]=3 5520 B12R1.112 CCSc1ccc(cc1OC)Br 62a_100000210202_100010245111 [0,2,0,0,0,0|1,0,1]=4 5521 B12R1.112 CCSc1ccc(cc1OC)Br 62a_100010245111_100000210202 [0,2,0,0,0,0|1,0,1]=4 5522 B12R1.112 CCSc1ccc(cc1OC)C 62a_100000210202_100010200004 [0,2,0,0,0,0|1,0,1]=4 5523 B12R1.112 CCSc1ccc(cc1OC)C 62a_100010200004_100000210202 [0,2,0,0,0,0|1,0,1]=4 5524 B12R1.112 CCSc1ccc(cc1OC)Cl 62a_100000050115_100000210202 [0,2,0,0,0,0|1,0,1]=4 5525 B12R1.112 CCSc1ccc(cc1OC)Cl 62a_100000210202_100000050115 [0,2,0,0,0,0|1,0,1]=4 5526 B12R1.112 CCSc1ccc(cc1OC)F 62a_100000210202_100000757151 [0,2,0,0,0,0|1,0,1]=4 5527 B12R1.112 CCSc1ccc(cc1OC)F 62a_100000757151_100000210202 [0,2,0,0,0,0|1,0,1]=4 5528 B12R1.112 CCSc1ccc(cc1OC)N 62a_100000210202_100000765947 [0,2,0,0,0,0|1,0,1]=4 5529 B12R1.112 CCSc1ccc(cc1OC)N 62a_100000765947_100000210202 [0,2,0,0,0,0|1,0,1]=4 5530 B12R1.112 CCSc1ccc(cc1OC)O 62a_100000210202_100011827694 [0,2,0,0,0,0|1,0,1]=4 5531 B12R1.112 CCSc1ccc(nc1C=O)C 62a_100000210202_100010173661 [0,2,0,0,0,0|1,1,0]=4 5532 B12R1.112 CCSc1ccc(nc1C=O)C 62a_100010173661_100000210202 [0,2,0,0,0,0|1,1,0]=4 5533 B12R1.112 CCSc1cnc(cc1C=O)O 62a_100000210202_100010064890 [0,2,0,0,0,0|1,1,0]=4 5534 B12R1.112 CCSc1cnc(cc1C=O)O 62a_100010064890_100000210202 [0,2,0,0,0,0|1,1,0]=4 5535 B12R1.112 CCSc1ncc(cc1C=O)C 62a_100000210202_100000050350 [0,2,0,0,0,0|1,1,0]=4 5536 B12R1.112 CCSc1ncc(cc1C=O)F 62a_100000079965_100000210202 [0,2,0,0,0,0|1,1,0]=4 5537 B12R1.112 CCSc1ncc(cc1C=O)F 62a_100000210202_100000079965 [0,2,0,0,0,0|1,1,0]=4 5538 B12R1.112 CCc1cc(ccc1OCF)Br 34a_100012338938_100015361967 [0,2,0,0,0,0|1,0,1]=4 5539 B12R1.112 CCc1cc(ccc1OCF)Br 7a_100012338938_100015361967 [0,2,0,0,0,0|1,0,1]=4 5540 B12R1.112 CCc1cc(ccc1OCF)C 34a_100009844793_100015361967 [0,2,0,0,0,0|1,0,1]=4 5541 B12R1.112 CCc1cc(ccc1OCF)C 7a_100009844793_100015361967 [0,2,0,0,0,0|1,0,1]=4 5542 B12R1.112 CCc1cc(ccc1OCF)F 34a_200000035566_100015361967 [0,2,0,0,0,0|1,0,1]=4 5543 B12R1.112 CCc1cc(ccc1OCF)F 7a_200000035566_100015361967 [0,2,0,0,0,0|1,0,1]=4 5544 B12R1.112 CNCc1ccc(cc1C=O)F 2230a_106832991635_100010132769 [0,2,0,0,0,0|1,0,0]=3 5545 B12R1.112 CNCc1ccc(cc1C=O)F 34a_100102657272_100010132769 [0,2,0,0,0,0|1,0,0]=3 5546 B12R1.112 CNCc1ccc(cc1C=O)F 7a_106832991635_100010132769 [0,2,0,0,0,0|1,0,0]=3 5547 B12R1.112 CNCc1ccc(cc1OC)Br 207a_100102657272_100000697075 [0,2,0,0,0,0|1,0,1]=4 5548 B12R1.112 CNCc1ccc(cc1OC)Br 2230a_106832991635_100012359436 [0,2,0,0,0,0|1,0,1]=4 5549 B12R1.112 CNCc1ccc(cc1OC)Br 26a_100102657272_100000694246 [0,2,0,0,0,0|1,0,1]=4 5550 B12R1.112 CNCc1ccc(cc1OC)Br 270004a_106832991635_100000697075 [0,2,0,0,0,0|1,0,1]=4 5551 B12R1.112 CNCc1ccc(cc1OC)Br 34a_100102657272_100012359436 [0,2,0,0,0,0|1,0,1]=4 5552 B12R1.112 CNCc1ccc(cc1OC)Br 7a_106832991635_100012359436 [0,2,0,0,0,0|1,0,1]=4 5553 B12R1.112 CNCc1ccc(cc1OC)C 207a_100102657272_100000689369 [0,2,0,0,0,0|1,0,1]=4 5554 B12R1.112 CNCc1ccc(cc1OC)C 270004a_106832991635_100000689369 [0,2,0,0,0,0|1,0,1]=4 5555 B12R1.112 CNCc1ccc(cc1OC)Cl 207a_100102657272_100000235374 [0,2,0,0,0,0|1,0,1]=4 5556 B12R1.112 CNCc1ccc(cc1OC)Cl 270004a_106832991635_100000235374 [0,2,0,0,0,0|1,0,1]=4 5557 B12R1.112 CNCc1ccc(cc1OC)F 207a_100102657272_100000042785 [0,2,0,0,0,0|1,0,1]=4 5558 B12R1.112 CNCc1ccc(cc1OC)F 2230a_106832991635_200010171551 [0,2,0,0,0,0|1,0,1]=4 5559 B12R1.112 CNCc1ccc(cc1OC)F 270004a_106832991635_100000042785 [0,2,0,0,0,0|1,0,1]=4 5560 B12R1.112 CNCc1ccc(cc1OC)F 34a_100000062129_200000210301 [0,2,0,0,0,0|1,0,1]=4 5561 B12R1.112 CNCc1ccc(cc1OC)F 34a_100102657272_200010171551 [0,2,0,0,0,0|1,0,1]=4 5562 B12R1.112 CNCc1ccc(cc1OC)F 7a_106832991635_200010171551 [0,2,0,0,0,0|1,0,1]=4 5563 B12R1.112 CNCc1ccc(cc1OC)I 207a_100102657272_100010290300 [0,2,0,0,0,0|1,0,1]=4 5564 B12R1.112 CNc1cc(ccc1COC)Br 34a_100013084866_200000210301 [0,2,0,0,0,0|2,0,0]=4 5565 B12R1.112 CNc1cc(ccc1COC)Br 7a_100013084866_200000210301 [0,2,0,0,0,0|2,0,0]=4 5566 B12R1.112 COCc1ccc(cc1C#N)Br 34a_100138415774_100000687761 [0,2,0,0,0,0|1,0,1]=4 5567 B12R1.112 COCc1ccc(cc1C#N)Cl 34a_100138415774_100000702095 [0,2,0,0,0,0|1,0,1]=4 5568 B12R1.112 COCc1ccc(cc1C#N)F 34a_100138415774_100000751460 [0,2,0,0,0,0|1,0,1]=4 5569 B12R1.112 COCc1ccc(cc1C=O)F 34a_100138415774_100010132769 [0,2,0,0,0,0|0,0,0]=2 5570 B12R1.112 COCc1ccc(cc1N[13CH3])Br 34a_100013084866_200025704644 [0,2,0,0,0,0|2,0,0]=4 5571 B12R1.112 COCc1ccc(cc1N[13CH3])Br 7a_100013084866_200025704644 [0,2,0,0,0,0|2,0,0]=4 5572 B12R1.112 COCc1ccc(cc1OC)Br 34a_100011277633_200000210301 [0,2,0,0,0,0|0,0,2]=4 5573 B12R1.112 COCc1ccc(cc1OC)Br 34a_100138415774_100012359436 [0,2,0,0,0,0|0,0,2]=4 5574 B12R1.112 COCc1ccc(cc1OC)Br 7a_100011277633_200000210301 [0,2,0,0,0,0|0,0,2]=4 5575 B12R1.112 COCc1ccc(cc1OC)C 34a_200012017176_200000210301 [0,2,0,0,0,0|0,0,2]=4 5576 B12R1.112 COCc1ccc(cc1OC)C 7a_200012017176_200000210301 [0,2,0,0,0,0|0,0,2]=4 5577 B12R1.112 COCc1ccc(cc1OC)Cl 34a_200011215853_200000210301 [0,2,0,0,0,0|0,0,2]=4 5578 B12R1.112 COCc1ccc(cc1OC)Cl 7a_200011215853_200000210301 [0,2,0,0,0,0|0,0,2]=4 5579 B12R1.112 COCc1ccc(cc1OC)F 34a_100000117171_200000210301 [0,2,0,0,0,0|0,0,2]=4 5580 B12R1.112 COCc1ccc(cc1OC)F 34a_100138415774_200010171551 [0,2,0,0,0,0|0,0,2]=4 5581 B12R1.112 COCc1ccc(cc1OC)F 7a_100000117171_200000210301 [0,2,0,0,0,0|0,0,2]=4 5582 B12R1.112 COCc1ccc(cc1OC)I 34a_100010233823_200000210301 [0,2,0,0,0,0|0,0,2]=4 5583 B12R1.112 COCc1ccc(cc1OC)I 7a_100010233823_200000210301 [0,2,0,0,0,0|0,0,2]=4 5584 B12R1.112 COCc1ccc(cc1OC)N 34a_100012183141_200000210301 [0,2,0,0,0,0|0,0,2]=4 5585 B12R1.112 COc1cc(ccc1CC#N)O 271570a_203496583355_100010245117 [0,2,0,0,0,0|1,0,1]=4 5586 B12R1.112 COc1cc(ccc1CN[13CH3])F 34a_100000062129_200025704644 [0,2,0,0,0,0|1,0,1]=4 5587 B12R1.112 COc1cc(ccc1CO[13CH3])Br 34a_100011277633_200025704644 [0,2,0,0,0,0|0,0,2]=4 5588 B12R1.112 COc1cc(ccc1CO[13CH3])Br 7a_100011277633_200025704644 [0,2,0,0,0,0|0,0,2]=4 5589 B12R1.112 COc1cc(ccc1CO[13CH3])C 34a_200012017176_200025704644 [0,2,0,0,0,0|0,0,2]=4 5590 B12R1.112 COc1cc(ccc1CO[13CH3])C 7a_200012017176_200025704644 [0,2,0,0,0,0|0,0,2]=4 5591 B12R1.112 COc1cc(ccc1CO[13CH3])Cl 34a_200011215853_200025704644 [0,2,0,0,0,0|0,0,2]=4 5592 B12R1.112 COc1cc(ccc1CO[13CH3])Cl 7a_200011215853_200025704644 [0,2,0,0,0,0|0,0,2]=4 5593 B12R1.112 COc1cc(ccc1CO[13CH3])F 34a_100000117171_200025704644 [0,2,0,0,0,0|0,0,2]=4 5594 B12R1.112 COc1cc(ccc1CO[13CH3])F 7a_100000117171_200025704644 [0,2,0,0,0,0|0,0,2]=4 5595 B12R1.112 COc1cc(ccc1CO[13CH3])I 34a_100010233823_200025704644 [0,2,0,0,0,0|0,0,2]=4 5596 B12R1.112 COc1cc(ccc1CO[13CH3])I 7a_100010233823_200025704644 [0,2,0,0,0,0|0,0,2]=4 5597 B12R1.112 COc1cc(ccc1CO[13CH3])N 34a_100012183141_200025704644 [0,2,0,0,0,0|0,0,2]=4 5598 B12R1.112 COc1cc(ccc1CSC)Br 62a_100012359436_200000210301 [0,2,0,0,0,0|0,1,1]=4 5599 B12R1.112 COc1cc(ccc1CSC)Br 62a_200000210301_100012359436 [0,2,0,0,0,0|0,1,1]=4 5600 B12R1.112 COc1cc(ccc1CSC)F 62a_200000210301_200010171551 [0,2,0,0,0,0|0,1,1]=4 5601 B12R1.112 COc1cc(ccc1CSC)F 62a_200010171551_200000210301 [0,2,0,0,0,0|0,1,1]=4 5602 B12R1.112 COc1cc(ccc1CS[13CH3])Br 62a_100012359436_200025704644 [0,2,0,0,0,0|0,1,1]=4 5603 B12R1.112 COc1cc(ccc1CS[13CH3])Br 62a_200025704644_100012359436 [0,2,0,0,0,0|0,1,1]=4 5604 B12R1.112 COc1cc(ccc1CS[13CH3])F 62a_200010171551_200025704644 [0,2,0,0,0,0|0,1,1]=4 5605 B12R1.112 COc1cc(ccc1CS[13CH3])F 62a_200025704644_200010171551 [0,2,0,0,0,0|0,1,1]=4 5606 B12R1.112 COc1cc(ccc1NCF)Br 34a_100011279103_100015361967 [0,2,0,0,0,0|1,0,1]=4 5607 B12R1.112 COc1cc(ccc1NCF)C 34a_100000746441_100015361967 [0,2,0,0,0,0|1,0,1]=4 5608 B12R1.112 COc1cc(ccc1NCF)Cl 34a_100000707585_100015361967 [0,2,0,0,0,0|1,0,1]=4 5609 B12R1.112 COc1cc(ccc1NCF)F 34a_100000737216_100015361967 [0,2,0,0,0,0|1,0,1]=4 5610 B12R1.112 COc1cc(ccc1NCF)I 34a_100015196925_100015361967 [0,2,0,0,0,0|1,0,1]=4 5611 B12R1.112 COc1cc(ccc1NCF)O 34a_100015326901_100015361967 [0,2,0,0,0,0|1,0,1]=4 5612 B12R1.112 COc1cc(ccc1OCF)Br 34a_100000694246_100015361967 [0,2,0,0,0,0|1,0,1]=4 5613 B12R1.112 COc1cc(ccc1OCF)Br 7a_100000694246_100015361967 [0,2,0,0,0,0|1,0,1]=4 5614 B12R1.112 COc1cc(ccc1OCF)C 34a_100000186466_100015361967 [0,2,0,0,0,0|1,0,1]=4 5615 B12R1.112 COc1cc(ccc1OCF)Cl 34a_100000033002_100015361967 [0,2,0,0,0,0|1,0,1]=4 5616 B12R1.112 COc1cc(ccc1OCF)F 34a_100000036057_100015361967 [0,2,0,0,0,0|1,0,1]=4 5617 B12R1.112 COc1cc(ccc1OCF)F 7a_100000036057_100015361967 [0,2,0,0,0,0|1,0,1]=4 5618 B12R1.112 COc1cc(ccc1OCF)I 34a_100000049635_100015361967 [0,2,0,0,0,0|1,0,1]=4 5619 B12R1.112 COc1cc(ccc1OCF)N 34a_100000726020_100015361967 [0,2,0,0,0,0|1,0,1]=4 5620 B12R1.112 COc1cc(ccc1SCF)Br 62a_100010245111_100015361967 [0,2,0,0,0,0|1,0,1]=4 5621 B12R1.112 COc1cc(ccc1SCF)Br 62a_100015361967_100010245111 [0,2,0,0,0,0|1,0,1]=4 5622 B12R1.112 COc1cc(ccc1SCF)C 62a_100010200004_100015361967 [0,2,0,0,0,0|1,0,1]=4 5623 B12R1.112 COc1cc(ccc1SCF)C 62a_100015361967_100010200004 [0,2,0,0,0,0|1,0,1]=4 5624 B12R1.112 COc1cc(ccc1SCF)Cl 62a_100000050115_100015361967 [0,2,0,0,0,0|1,0,1]=4 5625 B12R1.112 COc1cc(ccc1SCF)Cl 62a_100015361967_100000050115 [0,2,0,0,0,0|1,0,1]=4 5626 B12R1.112 COc1cc(ccc1SCF)F 62a_100000757151_100015361967 [0,2,0,0,0,0|1,0,1]=4 5627 B12R1.112 COc1cc(ccc1SCF)F 62a_100015361967_100000757151 [0,2,0,0,0,0|1,0,1]=4 5628 B12R1.112 COc1cc(ccc1SCF)N 62a_100000765947_100015361967 [0,2,0,0,0,0|1,0,1]=4 5629 B12R1.112 COc1cc(ccc1SCF)N 62a_100015361967_100000765947 [0,2,0,0,0,0|1,0,1]=4 5630 B12R1.112 COc1cc(ccc1SCF)O 62a_100015361967_100011827694 [0,2,0,0,0,0|1,0,1]=4 5631 B12R1.112 CSCc1ccc(cc1C=O)F 62a_100010132769_200000210301 [0,2,0,0,0,0|0,1,0]=3 5632 B12R1.112 CSCc1ccc(cc1C=O)F 62a_200000210301_100010132769 [0,2,0,0,0,0|0,1,0]=3 5633 B12R1.112 Cc1ccc(c(c1)C#N)OCF 34a_200012180384_100015361967 [0,2,0,0,0,0|1,0,1]=4 5634 B12R1.112 Cc1ccc(c(c1)C#N)OCF 7a_200012180384_100015361967 [0,2,0,0,0,0|1,0,1]=4 5635 B12R1.112 Cc1ccc(c(c1)C=O)SCF 62a_100011551863_100015361967 [0,2,0,0,0,0|0,1,0]=3 5636 B12R1.112 Cc1ccc(c(c1)C=O)SCF 62a_100015361967_100011551863 [0,2,0,0,0,0|0,1,0]=3 5637 B12R1.112 Cc1ccc(c(c1)CO)OCF 34a_200011846009_100015361967 [0,2,0,0,0,0|0,0,2]=4 5638 B12R1.112 Cc1ccc(c(c1)CO)OCF 7a_200011846009_100015361967 [0,2,0,0,0,0|0,0,2]=4 5639 B12R1.112 Cc1ccc(c(n1)C=O)SCF 62a_100010173661_100015361967 [0,2,0,0,0,0|1,1,0]=4 5640 B12R1.112 Cc1ccc(c(n1)C=O)SCF 62a_100015361967_100010173661 [0,2,0,0,0,0|1,1,0]=4 5641 B12R1.112 Cc1cnc(c(c1)C=O)SCF 62a_100015361967_100000050350 [0,2,0,0,0,0|1,1,0]=4 5642 B12R1.112 FCOc1ccc(cc1CBr)F 34a_100010161318_100015361967 [0,2,0,0,0,0|1,0,1]=4 5643 B12R1.112 FCOc1ccc(cc1CBr)F 7a_100010161318_100015361967 [0,2,0,0,0,0|1,0,1]=4 5644 B12R1.112 N#Cc1cc(ccc1OCF)Br 34a_100000687585_100015361967 [0,2,0,0,0,0|1,0,1]=4 5645 B12R1.112 N#Cc1cc(ccc1OCF)Br 7a_100000687585_100015361967 [0,2,0,0,0,0|1,0,1]=4 5646 B12R1.112 N#Cc1cc(ccc1OCF)Cl 34a_100011219380_100015361967 [0,2,0,0,0,0|1,0,1]=4 5647 B12R1.112 N#Cc1cc(ccc1OCF)Cl 7a_100011219380_100015361967 [0,2,0,0,0,0|1,0,1]=4 5648 B12R1.112 N#Cc1cc(ccc1OCF)F 34a_100011900173_100015361967 [0,2,0,0,0,0|1,0,1]=4 5649 B12R1.112 N#Cc1cc(ccc1OCF)F 7a_100011900173_100015361967 [0,2,0,0,0,0|1,0,1]=4 5650 B12R1.112 N#Cc1cc(ccc1OCF)I 34a_200000049958_100015361967 [0,2,0,0,0,0|1,0,1]=4 5651 B12R1.112 N#Cc1cc(ccc1OCF)I 7a_200000049958_100015361967 [0,2,0,0,0,0|1,0,1]=4 5652 B12R1.112 N#Cc1cc(ccc1OCF)N 34a_100011249283_100015361967 [0,2,0,0,0,0|1,0,1]=4 5653 B12R1.112 N#Cc1cc(ccc1OCF)N 7a_100011249283_100015361967 [0,2,0,0,0,0|1,0,1]=4 5654 B12R1.112 NCc1cc(ccc1OCF)Br 34a_100000730032_100015361967 [0,2,0,0,0,0|1,0,1]=4 5655 B12R1.112 NCc1cc(ccc1OCF)Cl 34a_100000238540_100015361967 [0,2,0,0,0,0|1,0,1]=4 5656 B12R1.112 O=Cc1cc(ccc1SCF)Br 62a_100010185651_100015361967 [0,2,0,0,0,0|0,1,0]=3 5657 B12R1.112 O=Cc1cc(ccc1SCF)Br 62a_100015361967_100010185651 [0,2,0,0,0,0|0,1,0]=3 5658 B12R1.112 O=Cc1cc(ccc1SCF)Cl 62a_100010254386_100015361967 [0,2,0,0,0,0|0,1,0]=3 5659 B12R1.112 O=Cc1cc(ccc1SCF)Cl 62a_100015361967_100010254386 [0,2,0,0,0,0|0,1,0]=3 5660 B12R1.112 O=Cc1cc(ccc1SCF)F 62a_100011218309_100015361967 [0,2,0,0,0,0|0,1,0]=3 5661 B12R1.112 O=Cc1cc(ccc1SCF)F 62a_100015361967_100011218309 [0,2,0,0,0,0|0,1,0]=3 5662 B12R1.112 O=Cc1cc(ccc1SCF)O 62a_100000690577_100015361967 [0,2,0,0,0,0|0,1,0]=3 5663 B12R1.112 O=Cc1cc(ccc1SCF)O 62a_100015361967_100000690577 [0,2,0,0,0,0|0,1,0]=3 5664 B12R1.112 O=Cc1cc(cnc1SCF)F 62a_100000079965_100015361967 [0,2,0,0,0,0|1,1,0]=4 5665 B12R1.112 O=Cc1cc(cnc1SCF)F 62a_100015361967_100000079965 [0,2,0,0,0,0|1,1,0]=4 5666 B12R1.112 O=Cc1cc(ncc1SCF)O 62a_100010064890_100015361967 [0,2,0,0,0,0|1,1,0]=4 5667 B12R1.112 O=Cc1cc(ncc1SCF)O 62a_100015361967_100010064890 [0,2,0,0,0,0|1,1,0]=4 5668 B12R1.112 OCc1cc(ccc1OCF)Br 34a_100000184703_100015361967 [0,2,0,0,0,0|0,0,2]=4 5669 B12R1.112 OCc1cc(ccc1OCF)Br 7a_100000184703_100015361967 [0,2,0,0,0,0|0,0,2]=4 5670 B12R1.112 OCc1cc(ccc1OCF)Cl 34a_100011218961_100015361967 [0,2,0,0,0,0|0,0,2]=4 5671 B12R1.112 OCc1cc(ccc1OCF)Cl 7a_100011218961_100015361967 [0,2,0,0,0,0|0,0,2]=4 5672 B12R1.112 OCc1cc(ccc1OCF)F 34a_100011291448_100015361967 [0,2,0,0,0,0|0,0,2]=4 5673 B12R1.112 OCc1cc(ccc1OCF)F 7a_100011291448_100015361967 [0,2,0,0,0,0|0,0,2]=4 5674 B12R1.112 OCc1cc(ccc1OCF)I 34a_100000049520_100015361967 [0,2,0,0,0,0|0,0,2]=4 5675 B12R1.112 OCc1cc(ccc1OCF)I 7a_100000049520_100015361967 [0,2,0,0,0,0|0,0,2]=4 5676 B12R1.112 [13CH3]SCc1ccc(cc1C=O)F 62a_100010132769_200025704644 [0,2,0,0,0,0|0,1,0]=3 5677 B12R1.112 [13CH3]SCc1ccc(cc1C=O)F 62a_200025704644_100010132769 [0,2,0,0,0,0|0,1,0]=3 5678 B12R1.234 C=Cc1c(cc(cc1OC)Br)F 271570a_100011290941_100010713143 [0,2,0,0,0,0|1,0,0]=3 5679 B12R1.234 C=Cc1c(cc(cc1OC)Cl)Br 271570a_100011290941_100025705407 [0,2,0,0,0,0|1,0,0]=3 5680 B12R1.234 C=Cc1c(cc(cc1OC)Cl)Cl 271570a_100011290941_100010292537 [0,2,0,0,0,0|1,0,0]=3 5681 B12R1.234 C=Cc1cc(cc(c1C=O)C)F 271570a_100011290941_200015781908 [0,2,0,0,0,0|1,0,1]=4 5682 B12R1.234 C=Cc1cc(cc(c1C=O)F)C 271570a_100011290941_100010341274 [0,2,0,0,0,0|1,0,1]=4 5683 B12R1.234 C=Cc1cc(cc(c1C=O)F)F 271570a_100011290941_100010009843 [0,2,0,0,0,0|1,0,1]=4 5684 B12R1.234 C=Cc1cc(cc(c1NC)N)F 271570a_100011290941_114929179422 [0,2,0,0,0,0|2,0,0]=4 5685 B12R1.234 C=Cc1cc(cc(c1OC)C)N 271570a_100011290941_100010071304 [0,2,0,0,0,0|1,0,0]=3 5686 B12R1.234 C=Cc1cc(cc(c1OC)F)C 271570a_100011290941_200010713180 [0,2,0,0,0,0|1,0,0]=3 5687 B12R1.234 C=Cc1cc(cc(c1OC)F)F 271570a_100011290941_100009813607 [0,2,0,0,0,0|1,0,0]=3 5688 B12R1.234 C=Cc1cc(cc(c1OC)F)N 271570a_100011290941_200009816006 [0,2,0,0,0,0|1,0,0]=3 5689 B12R1.234 C=Cc1cc(cc(c1OC)N)Br 271570a_100011290941_100015658936 [0,2,0,0,0,0|1,0,0]=3 5690 B12R1.234 C=Cc1cc(cc(c1OC)N)F 271570a_100011290941_100011190657 [0,2,0,0,0,0|1,0,0]=3 5691 B12R1.234 C=Cc1cc(cc(c1SC)F)C 271570a_100011290941_202125771776 [0,2,0,0,0,0|1,1,0]=4 5692 B12R1.234 CCc1cc(cc(c1OC)C)Br 34a_100010659108_200000210301 [0,2,0,0,0,0|1,0,1]=4 5693 B12R1.234 CCc1cc(cc(c1OC)C)Br 7a_100010659108_200000210301 [0,2,0,0,0,0|1,0,1]=4 5694 B12R1.234 CCc1cc(cc(c1O[13CH3])C)Br 34a_100010659108_200025704644 [0,2,0,0,0,0|1,0,1]=4 5695 B12R1.234 CCc1cc(cc(c1O[13CH3])C)Br 7a_100010659108_200025704644 [0,2,0,0,0,0|1,0,1]=4 5696 B12R1.234 CNc1c(cc(cc1OC)Br)Br 34a_100010253907_200000210301 [0,2,0,0,0,0|2,0,0]=4 5697 B12R1.234 CNc1c(cc(cc1OC)Br)C 34a_100000741850_200000210301 [0,2,0,0,0,0|2,0,0]=4 5698 B12R1.234 CNc1c(cc(cc1OC)Cl)Br 34a_200010138668_200000210301 [0,2,0,0,0,0|2,0,0]=4 5699 B12R1.234 CNc1c(cc(cc1OC)Cl)Cl 34a_100009955935_200000210301 [0,2,0,0,0,0|2,0,0]=4 5700 B12R1.234 CNc1c(cc(cc1OC)F)Br 34a_100011004115_200000210301 [0,2,0,0,0,0|2,0,0]=4 5701 B12R1.234 CNc1cc(cc(c1OC)Br)Cl 34a_100000243884_200000210301 [0,2,0,0,0,0|2,0,0]=4 5702 B12R1.234 CNc1cc(cc(c1OC)Br)F 34a_100011190657_200000210301 [0,2,0,0,0,0|2,0,0]=4 5703 B12R1.234 CNc1cc(cc(c1OC)Cl)Cl 34a_100009871722_200000210301 [0,2,0,0,0,0|2,0,0]=4 5704 B12R1.234 CNc1cc(cc(c1OC)F)Br 34a_200010245146_200000210301 [0,2,0,0,0,0|2,0,0]=4 5705 B12R1.234 CNc1cc(cc(c1OC)F)C 34a_100009958095_200000210301 [0,2,0,0,0,0|2,0,0]=4 5706 B12R1.234 CNc1cc(cc(c1OC)F)F 34a_100000061580_200000210301 [0,2,0,0,0,0|2,0,0]=4 5707 B12R1.234 COc1c(cc(cc1C#N)Br)Br 34a_100009814147_200000210301 [0,2,0,0,0,0|1,0,1]=4 5708 B12R1.234 COc1c(cc(cc1C#N)Br)Br 7a_100009814147_200000210301 [0,2,0,0,0,0|1,0,1]=4 5709 B12R1.234 COc1c(cc(cc1C#N)Br)C 34a_100010195408_200000210301 [0,2,0,0,0,0|1,0,1]=4 5710 B12R1.234 COc1c(cc(cc1C#N)Br)C 7a_100010195408_200000210301 [0,2,0,0,0,0|1,0,1]=4 5711 B12R1.234 COc1c(cc(cc1C#N)Br)Cl 34a_100010218075_200000210301 [0,2,0,0,0,0|1,0,1]=4 5712 B12R1.234 COc1c(cc(cc1C#N)Br)Cl 7a_100010218075_200000210301 [0,2,0,0,0,0|1,0,1]=4 5713 B12R1.234 COc1c(cc(cc1C#N)F)Br 34a_100010674538_200000210301 [0,2,0,0,0,0|1,0,1]=4 5714 B12R1.234 COc1c(cc(cc1C#N)F)Br 7a_100010674538_200000210301 [0,2,0,0,0,0|1,0,1]=4 5715 B12R1.234 COc1c(cc(cc1C#N)F)F 34a_100000068412_200000210301 [0,2,0,0,0,0|1,0,1]=4 5716 B12R1.234 COc1c(cc(cc1C#N)F)F 7a_100000068412_200000210301 [0,2,0,0,0,0|1,0,1]=4 5717 B12R1.234 COc1c(cc(cc1C=O)C)O 271570a_203496583355_200010171662 [0,2,0,0,0,0|0,0,0]=2 5718 B12R1.234 COc1c(cc(cc1C=O)F)O 271570a_203496583355_100010240317 [0,2,0,0,0,0|0,0,0]=2 5719 B12R1.234 COc1c(cc(cc1CBr)Br)Br 34a_200009814416_200000210301 [0,2,0,0,0,0|1,0,1]=4 5720 B12R1.234 COc1c(cc(cc1CBr)Br)Br 7a_200009814416_200000210301 [0,2,0,0,0,0|1,0,1]=4 5721 B12R1.234 COc1c(cc(cc1CO)Cl)Br 34a_100009812756_200000210301 [0,2,0,0,0,0|0,0,2]=4 5722 B12R1.234 COc1c(cc(cc1CO)Cl)Br 7a_100009812756_200000210301 [0,2,0,0,0,0|0,0,2]=4 5723 B12R1.234 COc1c(cc(cc1N[13CH3])Br)F 34a_200010245146_200025704644 [0,2,0,0,0,0|2,0,0]=4 5724 B12R1.234 COc1c(cc(cc1N[13CH3])C)F 34a_100009958095_200025704644 [0,2,0,0,0,0|2,0,0]=4 5725 B12R1.234 COc1c(cc(cc1N[13CH3])Cl)Br 34a_100000243884_200025704644 [0,2,0,0,0,0|2,0,0]=4 5726 B12R1.234 COc1c(cc(cc1N[13CH3])Cl)Cl 34a_100009871722_200025704644 [0,2,0,0,0,0|2,0,0]=4 5727 B12R1.234 COc1c(cc(cc1N[13CH3])F)Br 34a_100011190657_200025704644 [0,2,0,0,0,0|2,0,0]=4 5728 B12R1.234 COc1c(cc(cc1N[13CH3])F)F 34a_100000061580_200025704644 [0,2,0,0,0,0|2,0,0]=4 5729 B12R1.234 COc1c(cc(cc1SC)Br)N 62a_100015658936_200000210301 [0,2,0,0,0,0|2,0,0]=4 5730 B12R1.234 COc1c(cc(cc1SC)Br)N 62a_200000210301_100015658936 [0,2,0,0,0,0|2,0,0]=4 5731 B12R1.234 COc1c(cc(cc1SC)C)F 62a_200000210301_200010713180 [0,2,0,0,0,0|2,0,0]=4 5732 B12R1.234 COc1c(cc(cc1SC)C)F 62a_200010713180_200000210301 [0,2,0,0,0,0|2,0,0]=4 5733 B12R1.234 COc1c(cc(cc1SC)F)F 62a_100009813607_200000210301 [0,2,0,0,0,0|2,0,0]=4 5734 B12R1.234 COc1c(cc(cc1SC)F)F 62a_200000210301_100009813607 [0,2,0,0,0,0|2,0,0]=4 5735 B12R1.234 COc1c(cc(cc1SC)F)N 62a_100011190657_200000210301 [0,2,0,0,0,0|2,0,0]=4 5736 B12R1.234 COc1c(cc(cc1SC)F)N 62a_200000210301_100011190657 [0,2,0,0,0,0|2,0,0]=4 5737 B12R1.234 COc1c(cc(cc1SC)N)C 62a_100010071304_200000210301 [0,2,0,0,0,0|2,0,0]=4 5738 B12R1.234 COc1c(cc(cc1SC)N)C 62a_200000210301_100010071304 [0,2,0,0,0,0|2,0,0]=4 5739 B12R1.234 COc1c(cc(cc1SC)N)F 62a_200000210301_200009816006 [0,2,0,0,0,0|2,0,0]=4 5740 B12R1.234 COc1c(cc(cc1SC)N)F 62a_200009816006_200000210301 [0,2,0,0,0,0|2,0,0]=4 5741 B12R1.234 COc1c(cc(cc1S[13CH3])Br)N 62a_100015658936_200025704644 [0,2,0,0,0,0|2,0,0]=4 5742 B12R1.234 COc1c(cc(cc1S[13CH3])Br)N 62a_200025704644_100015658936 [0,2,0,0,0,0|2,0,0]=4 5743 B12R1.234 COc1c(cc(cc1S[13CH3])C)F 62a_200010713180_200025704644 [0,2,0,0,0,0|2,0,0]=4 5744 B12R1.234 COc1c(cc(cc1S[13CH3])C)F 62a_200025704644_200010713180 [0,2,0,0,0,0|2,0,0]=4 5745 B12R1.234 COc1c(cc(cc1S[13CH3])F)F 62a_100009813607_200025704644 [0,2,0,0,0,0|2,0,0]=4 5746 B12R1.234 COc1c(cc(cc1S[13CH3])F)F 62a_200025704644_100009813607 [0,2,0,0,0,0|2,0,0]=4 5747 B12R1.234 COc1c(cc(cc1S[13CH3])F)N 62a_100011190657_200025704644 [0,2,0,0,0,0|2,0,0]=4 5748 B12R1.234 COc1c(cc(cc1S[13CH3])F)N 62a_200025704644_100011190657 [0,2,0,0,0,0|2,0,0]=4 5749 B12R1.234 COc1c(cc(cc1S[13CH3])N)C 62a_100010071304_200025704644 [0,2,0,0,0,0|2,0,0]=4 5750 B12R1.234 COc1c(cc(cc1S[13CH3])N)C 62a_200025704644_100010071304 [0,2,0,0,0,0|2,0,0]=4 5751 B12R1.234 COc1c(cc(cc1S[13CH3])N)F 62a_200009816006_200025704644 [0,2,0,0,0,0|2,0,0]=4 5752 B12R1.234 COc1c(cc(cc1S[13CH3])N)F 62a_200025704644_200009816006 [0,2,0,0,0,0|2,0,0]=4 5753 B12R1.234 COc1cc(cc(c1C#N)C)C 34a_100010659394_200000210301 [0,2,0,0,0,0|1,0,1]=4 5754 B12R1.234 COc1cc(cc(c1C#N)C)C 7a_100010659394_200000210301 [0,2,0,0,0,0|1,0,1]=4 5755 B12R1.234 COc1cc(cc(c1C#N)F)Br 34a_200011156622_200000210301 [0,2,0,0,0,0|1,0,1]=4 5756 B12R1.234 COc1cc(cc(c1C#N)F)Br 7a_200011156622_200000210301 [0,2,0,0,0,0|1,0,1]=4 5757 B12R1.234 COc1cc(cc(c1C#N)F)O 271570a_203496583355_100000697026 [0,2,0,0,0,0|1,0,1]=4 5758 B12R1.234 COc1cc(cc(c1C=O)F)O 271570a_203496583355_100010363811 [0,2,0,0,0,0|0,0,0]=2 5759 B12R1.234 COc1cc(cc(c1N[13CH3])Br)Br 34a_100010253907_200025704644 [0,2,0,0,0,0|2,0,0]=4 5760 B12R1.234 COc1cc(cc(c1N[13CH3])Br)Cl 34a_200010138668_200025704644 [0,2,0,0,0,0|2,0,0]=4 5761 B12R1.234 COc1cc(cc(c1N[13CH3])Br)F 34a_100011004115_200025704644 [0,2,0,0,0,0|2,0,0]=4 5762 B12R1.234 COc1cc(cc(c1N[13CH3])C)Br 34a_100000741850_200025704644 [0,2,0,0,0,0|2,0,0]=4 5763 B12R1.234 COc1cc(cc(c1N[13CH3])Cl)Cl 34a_100009955935_200025704644 [0,2,0,0,0,0|2,0,0]=4 5764 B12R1.234 COc1cc(cc(c1OC)Br)F 34a_200010391102_200000210301 [0,2,0,0,0,0|2,0,0]=4 5765 B12R1.234 COc1cc(cc(c1OC)Br)F 7a_200010391102_200000210301 [0,2,0,0,0,0|2,0,0]=4 5766 B12R1.234 COc1cc(cc(c1O[13CH3])Br)F 34a_200010391102_200025704644 [0,2,0,0,0,0|2,0,0]=4 5767 B12R1.234 COc1cc(cc(c1O[13CH3])Br)F 7a_200010391102_200025704644 [0,2,0,0,0,0|2,0,0]=4 5768 B12R1.234 COc1cc(cc(c1SC)Br)Cl 62a_100025705407_200000210301 [0,2,0,0,0,0|2,0,0]=4 5769 B12R1.234 COc1cc(cc(c1SC)Br)Cl 62a_200000210301_100025705407 [0,2,0,0,0,0|2,0,0]=4 5770 B12R1.234 COc1cc(cc(c1SC)Cl)Cl 62a_100010292537_200000210301 [0,2,0,0,0,0|2,0,0]=4 5771 B12R1.234 COc1cc(cc(c1SC)Cl)Cl 62a_200000210301_100010292537 [0,2,0,0,0,0|2,0,0]=4 5772 B12R1.234 COc1cc(cc(c1SC)F)Br 62a_100010713143_200000210301 [0,2,0,0,0,0|2,0,0]=4 5773 B12R1.234 COc1cc(cc(c1SC)F)Br 62a_200000210301_100010713143 [0,2,0,0,0,0|2,0,0]=4 5774 B12R1.234 COc1cc(cc(c1S[13CH3])Br)Cl 62a_100025705407_200025704644 [0,2,0,0,0,0|2,0,0]=4 5775 B12R1.234 COc1cc(cc(c1S[13CH3])Br)Cl 62a_200025704644_100025705407 [0,2,0,0,0,0|2,0,0]=4 5776 B12R1.234 COc1cc(cc(c1S[13CH3])Cl)Cl 62a_100010292537_200025704644 [0,2,0,0,0,0|2,0,0]=4 5777 B12R1.234 COc1cc(cc(c1S[13CH3])Cl)Cl 62a_200025704644_100010292537 [0,2,0,0,0,0|2,0,0]=4 5778 B12R1.234 COc1cc(cc(c1S[13CH3])F)Br 62a_100010713143_200025704644 [0,2,0,0,0,0|2,0,0]=4 5779 B12R1.234 COc1cc(cc(c1S[13CH3])F)Br 62a_200025704644_100010713143 [0,2,0,0,0,0|2,0,0]=4 5780 B12R1.234 CSc1c(cc(cc1C=O)F)F 62a_100010775724_200000210301 [0,2,0,0,0,0|0,1,0]=3 5781 B12R1.234 CSc1c(cc(cc1C=O)F)F 62a_200000210301_100010775724 [0,2,0,0,0,0|0,1,0]=3 5782 B12R1.234 CSc1cc(cc(c1C=O)C)F 62a_200000210301_200015781908 [0,2,0,0,0,0|0,1,0]=3 5783 B12R1.234 CSc1cc(cc(c1C=O)C)F 62a_200015781908_200000210301 [0,2,0,0,0,0|0,1,0]=3 5784 B12R1.234 CSc1cc(cc(c1C=O)F)C 62a_100010341274_200000210301 [0,2,0,0,0,0|0,1,0]=3 5785 B12R1.234 CSc1cc(cc(c1C=O)F)C 62a_200000210301_100010341274 [0,2,0,0,0,0|0,1,0]=3 5786 B12R1.234 CSc1cc(cc(c1C=O)F)F 62a_100010009843_200000210301 [0,2,0,0,0,0|0,1,0]=3 5787 B12R1.234 CSc1cc(cc(c1C=O)F)F 62a_200000210301_100010009843 [0,2,0,0,0,0|0,1,0]=3 5788 B12R1.234 CSc1cc(nc(c1C=O)Cl)Cl 62a_100102954820_200000210301 [0,2,0,0,0,0|1,1,0]=4 5789 B12R1.234 CSc1cc(nc(c1C=O)Cl)Cl 62a_200000210301_100102954820 [0,2,0,0,0,0|1,1,0]=4 5790 B12R1.234 CSc1cc(nc(c1C=O)F)F 62a_106446549130_200000210301 [0,2,0,0,0,0|1,1,0]=4 5791 B12R1.234 CSc1cc(nc(c1C=O)F)F 62a_200000210301_106446549130 [0,2,0,0,0,0|1,1,0]=4 5792 B12R1.234 Cc1cc(c(c(c1)O[13CH3])C#N)C 34a_100010659394_200025704644 [0,2,0,0,0,0|1,0,1]=4 5793 B12R1.234 Cc1cc(c(c(c1)O[13CH3])C#N)C 7a_100010659394_200025704644 [0,2,0,0,0,0|1,0,1]=4 5794 B12R1.234 Cc1cc(c(c(c1)S[13CH3])C=O)F 62a_100010341274_200025704644 [0,2,0,0,0,0|0,1,0]=3 5795 B12R1.234 Cc1cc(c(c(c1)S[13CH3])C=O)F 62a_200025704644_100010341274 [0,2,0,0,0,0|0,1,0]=3 5796 B12R1.234 Cc1cc(cc(c1C=O)S[13CH3])F 62a_200015781908_200025704644 [0,2,0,0,0,0|0,1,0]=3 5797 B12R1.234 Cc1cc(cc(c1C=O)S[13CH3])F 62a_200025704644_200015781908 [0,2,0,0,0,0|0,1,0]=3 5798 B12R1.234 Cc1cc(cc(c1O[13CH3])C#N)Br 34a_100010195408_200025704644 [0,2,0,0,0,0|1,0,1]=4 5799 B12R1.234 Cc1cc(cc(c1O[13CH3])C#N)Br 7a_100010195408_200025704644 [0,2,0,0,0,0|1,0,1]=4 5800 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)Br)Br 34a_100009814147_200025704644 [0,2,0,0,0,0|1,0,1]=4 5801 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)Br)Br 7a_100009814147_200025704644 [0,2,0,0,0,0|1,0,1]=4 5802 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)Br)Cl 34a_100010218075_200025704644 [0,2,0,0,0,0|1,0,1]=4 5803 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)Br)Cl 7a_100010218075_200025704644 [0,2,0,0,0,0|1,0,1]=4 5804 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)F)Br 34a_100010674538_200025704644 [0,2,0,0,0,0|1,0,1]=4 5805 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)F)Br 7a_100010674538_200025704644 [0,2,0,0,0,0|1,0,1]=4 5806 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)F)F 34a_100000068412_200025704644 [0,2,0,0,0,0|1,0,1]=4 5807 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)F)F 7a_100000068412_200025704644 [0,2,0,0,0,0|1,0,1]=4 5808 B12R1.234 [13CH3]Oc1c(cc(cc1CBr)Br)Br 34a_200009814416_200025704644 [0,2,0,0,0,0|1,0,1]=4 5809 B12R1.234 [13CH3]Oc1c(cc(cc1CBr)Br)Br 7a_200009814416_200025704644 [0,2,0,0,0,0|1,0,1]=4 5810 B12R1.234 [13CH3]Oc1c(cc(cc1CO)Cl)Br 34a_100009812756_200025704644 [0,2,0,0,0,0|0,0,2]=4 5811 B12R1.234 [13CH3]Oc1c(cc(cc1CO)Cl)Br 7a_100009812756_200025704644 [0,2,0,0,0,0|0,0,2]=4 5812 B12R1.234 [13CH3]Oc1cc(cc(c1C#N)F)Br 34a_200011156622_200025704644 [0,2,0,0,0,0|1,0,1]=4 5813 B12R1.234 [13CH3]Oc1cc(cc(c1C#N)F)Br 7a_200011156622_200025704644 [0,2,0,0,0,0|1,0,1]=4 5814 B12R1.234 [13CH3]Sc1c(cc(cc1C=O)F)F 62a_100010775724_200025704644 [0,2,0,0,0,0|0,1,0]=3 5815 B12R1.234 [13CH3]Sc1c(cc(cc1C=O)F)F 62a_200025704644_100010775724 [0,2,0,0,0,0|0,1,0]=3 5816 B12R1.234 [13CH3]Sc1cc(cc(c1C=O)F)F 62a_100010009843_200025704644 [0,2,0,0,0,0|0,1,0]=3 5817 B12R1.234 [13CH3]Sc1cc(cc(c1C=O)F)F 62a_200025704644_100010009843 [0,2,0,0,0,0|0,1,0]=3 5818 B12R1.234 [13CH3]Sc1cc(nc(c1C=O)Cl)Cl 62a_100102954820_200025704644 [0,2,0,0,0,0|1,1,0]=4 5819 B12R1.234 [13CH3]Sc1cc(nc(c1C=O)Cl)Cl 62a_200025704644_100102954820 [0,2,0,0,0,0|1,1,0]=4 5820 B12R1.234 [13CH3]Sc1cc(nc(c1C=O)F)F 62a_106446549130_200025704644 [0,2,0,0,0,0|1,1,0]=4 5821 B12R1.234 [13CH3]Sc1cc(nc(c1C=O)F)F 62a_200025704644_106446549130 [0,2,0,0,0,0|1,1,0]=4 5822 B12R1.268 C=C=Cc1cc(=O)[nH]cc1OC 271570a_100015277604_100121573661 [0,2,0,0,0,0|2,0,0]=4 5823 B12R1.268 C=C=Cc1cc(ccc1C=O)Br 271570a_100015277604_100010146562 [0,2,0,0,0,0|1,0,1]=4 5824 B12R1.268 C=C=Cc1cc(ccc1C=O)C 271570a_100015277604_100000692596 [0,2,0,0,0,0|1,0,1]=4 5825 B12R1.268 C=C=Cc1cc(ccc1C=O)F 271570a_100015277604_100000752949 [0,2,0,0,0,0|1,0,1]=4 5826 B12R1.268 C=C=Cc1cc(ccc1C=O)O 271570a_100015277604_100011236494 [0,2,0,0,0,0|1,0,1]=4 5827 B12R1.268 C=C=Cc1cc(ccc1NC)C 271570a_100015277604_100000221369 [0,2,0,0,0,0|2,0,0]=4 5828 B12R1.268 C=C=Cc1cc(ccc1NC)F 271570a_100015277604_100011246292 [0,2,0,0,0,0|2,0,0]=4 5829 B12R1.268 C=C=Cc1cc(ccc1OC)Br 271570a_100015277604_100012351588 [0,2,0,0,0,0|1,0,0]=3 5830 B12R1.268 C=C=Cc1cc(ccc1OC)C 271570a_100015277604_100000186399 [0,2,0,0,0,0|1,0,0]=3 5831 B12R1.268 C=C=Cc1cc(ccc1OC)Cl 271570a_100015277604_100011215930 [0,2,0,0,0,0|1,0,0]=3 5832 B12R1.268 C=C=Cc1cc(ccc1OC)F 271570a_100015277604_100000171694 [0,2,0,0,0,0|1,0,0]=3 5833 B12R1.268 C=C=Cc1cc(ccc1OC)N 271570a_100015277604_100000187427 [0,2,0,0,0,0|1,0,0]=3 5834 B12R1.268 C=C=Cc1cc(ccc1OC)O 271570a_100015277604_100010084122 [0,2,0,0,0,0|1,0,0]=3 5835 B12R1.268 C=C=Cc1cc(ccc1SC)C 271570a_100015277604_200010201864 [0,2,0,0,0,0|1,1,0]=4 5836 B12R1.268 C=C=Cc1cc(ccc1SC)F 271570a_100015277604_100009817003 [0,2,0,0,0,0|1,1,0]=4 5837 B12R1.268 C=C=Cc1cc(cnc1OC)Br 271570a_100015277604_100009814608 [0,2,0,0,0,0|2,0,0]=4 5838 B12R1.268 C=C=Cc1cc(cnc1OC)C 271570a_100015277604_100012353929 [0,2,0,0,0,0|2,0,0]=4 5839 B12R1.268 C=C=Cc1cc(cnc1OC)F 271570a_100015277604_100009828472 [0,2,0,0,0,0|2,0,0]=4 5840 B12R1.268 C=C=Cc1cc(cnc1OC)N 271570a_100015277604_100012351452 [0,2,0,0,0,0|2,0,0]=4 5841 B12R1.268 C=C=Cc1cc(ncc1OC)C 271570a_100015277604_100010109759 [0,2,0,0,0,0|2,0,0]=4 5842 B12R1.268 C=C=Cc1nc(ccc1OC)C 271570a_100015277604_100009820875 [0,2,0,0,0,0|2,0,0]=4 5843 B12R1.268 C=C=Cc1nc(ccc1OC)N 271570a_100015277604_100010172607 [0,2,0,0,0,0|2,0,0]=4 5844 B12R1.268 C=Cc1ccc(cc1OCC)C 271570a_100011290941_200010713166 [0,2,0,0,0,0|1,0,0]=3 5845 B12R1.268 C=Cc1ccc(cc1OCC)F 271570a_100011290941_200012340411 [0,2,0,0,0,0|1,0,0]=3 5846 B12R1.268 C=Cc1ccc(cc1OCC)N 271570a_100011290941_200016990551 [0,2,0,0,0,0|1,0,0]=3 5847 B12R1.268 C=Cc1ccc(cc1SCC)F 62a_100000210202_100012354420 [0,2,0,0,0,0|1,1,0]=4 5848 B12R1.268 C=Cc1ccc(cc1SCC)F 62a_100012354420_100000210202 [0,2,0,0,0,0|1,1,0]=4 5849 B12R1.268 C=Cc1ccc(cc1SCF)F 62a_100012354420_100015361967 [0,2,0,0,0,0|1,1,0]=4 5850 B12R1.268 C=Cc1ccc(cc1SCF)F 62a_100015361967_100012354420 [0,2,0,0,0,0|1,1,0]=4 5851 B12R1.268 CC=Cc1cc(=O)[nH]cc1OC 271570a_100016259895_100121573661 [0,2,0,0,0,0|2,0,0]=4 5852 B12R1.268 CC=Cc1cc(ccc1C=O)Br 271570a_100016259895_100010146562 [0,2,0,0,0,0|1,0,0]=3 5853 B12R1.268 CC=Cc1cc(ccc1C=O)C 271570a_100016259895_100000692596 [0,2,0,0,0,0|1,0,0]=3 5854 B12R1.268 CC=Cc1cc(ccc1C=O)F 271570a_100016259895_100000752949 [0,2,0,0,0,0|1,0,0]=3 5855 B12R1.268 CC=Cc1cc(ccc1C=O)O 271570a_100016259895_100011236494 [0,2,0,0,0,0|1,0,0]=3 5856 B12R1.268 CC=Cc1cc(ccc1NC)C 271570a_100016259895_100000221369 [0,2,0,0,0,0|2,0,0]=4 5857 B12R1.268 CC=Cc1cc(ccc1NC)F 271570a_100016259895_100011246292 [0,2,0,0,0,0|2,0,0]=4 5858 B12R1.268 CC=Cc1cc(ccc1OC)Br 271570a_100016259895_100012351588 [0,2,0,0,0,0|1,0,0]=3 5859 B12R1.268 CC=Cc1cc(ccc1OC)C 271570a_100016259895_100000186399 [0,2,0,0,0,0|1,0,0]=3 5860 B12R1.268 CC=Cc1cc(ccc1OC)Cl 271570a_100016259895_100011215930 [0,2,0,0,0,0|1,0,0]=3 5861 B12R1.268 CC=Cc1cc(ccc1OC)F 271570a_100016259895_100000171694 [0,2,0,0,0,0|1,0,0]=3 5862 B12R1.268 CC=Cc1cc(ccc1OC)N 271570a_100016259895_100000187427 [0,2,0,0,0,0|1,0,0]=3 5863 B12R1.268 CC=Cc1cc(ccc1OC)O 271570a_100016259895_100010084122 [0,2,0,0,0,0|1,0,0]=3 5864 B12R1.268 CC=Cc1cc(ccc1SC)C 271570a_100016259895_200010201864 [0,2,0,0,0,0|1,1,0]=4 5865 B12R1.268 CC=Cc1cc(ccc1SC)F 271570a_100016259895_100009817003 [0,2,0,0,0,0|1,1,0]=4 5866 B12R1.268 CC=Cc1cc(cnc1OC)Br 271570a_100016259895_100009814608 [0,2,0,0,0,0|2,0,0]=4 5867 B12R1.268 CC=Cc1cc(cnc1OC)C 271570a_100016259895_100012353929 [0,2,0,0,0,0|2,0,0]=4 5868 B12R1.268 CC=Cc1cc(cnc1OC)F 271570a_100016259895_100009828472 [0,2,0,0,0,0|2,0,0]=4 5869 B12R1.268 CC=Cc1cc(cnc1OC)N 271570a_100016259895_100012351452 [0,2,0,0,0,0|2,0,0]=4 5870 B12R1.268 CC=Cc1cc(ncc1C=O)F 271570a_100016259895_100009862493 [0,2,0,0,0,0|2,0,0]=4 5871 B12R1.268 CC=Cc1cc(ncc1OC)C 271570a_100016259895_100010109759 [0,2,0,0,0,0|2,0,0]=4 5872 B12R1.268 CC=Cc1nc(ccc1C=O)C 271570a_100016259895_100000085379 [0,2,0,0,0,0|2,0,0]=4 5873 B12R1.268 CC=Cc1nc(ccc1C=O)F 271570a_100016259895_100009846357 [0,2,0,0,0,0|2,0,0]=4 5874 B12R1.268 CC=Cc1nc(ccc1OC)C 271570a_100016259895_100009820875 [0,2,0,0,0,0|2,0,0]=4 5875 B12R1.268 CC=Cc1nc(ccc1OC)N 271570a_100016259895_100010172607 [0,2,0,0,0,0|2,0,0]=4 5876 B12R1.268 CCNc1cc(ccc1OC)Br 34a_100000743470_100000210202 [0,2,0,0,0,0|1,0,1]=4 5877 B12R1.268 CCNc1cc(ccc1OC)C 2230a_100000210980_100000210202 [0,2,0,0,0,0|1,0,1]=4 5878 B12R1.268 CCNc1cc(ccc1OC)C 34a_100000210980_100000210202 [0,2,0,0,0,0|1,0,1]=4 5879 B12R1.268 CCNc1cc(ccc1OC)Cl 34a_100000182114_100000210202 [0,2,0,0,0,0|1,0,1]=4 5880 B12R1.268 CCNc1cc(ccc1OC)F 34a_100000757179_100000210202 [0,2,0,0,0,0|1,0,1]=4 5881 B12R1.268 CCNc1cc(ncc1C=O)F 27a_100015525214_100009862493 [0,2,0,0,0,0|2,0,0]=4 5882 B12R1.268 CCNc1nc(ccc1C=O)F 27a_100015525214_100009846357 [0,2,0,0,0,0|2,0,0]=4 5883 B12R1.268 CCOc1cc(ccc1C#N)Br 34a_100011934713_100000210202 [0,2,0,0,0,0|1,0,1]=4 5884 B12R1.268 CCOc1cc(ccc1C#N)Br 7a_100011934713_100000210202 [0,2,0,0,0,0|1,0,1]=4 5885 B12R1.268 CCOc1cc(ccc1C#N)C 34a_100011640519_100000210202 [0,2,0,0,0,0|1,0,1]=4 5886 B12R1.268 CCOc1cc(ccc1C#N)C 7a_100011640519_100000210202 [0,2,0,0,0,0|1,0,1]=4 5887 B12R1.268 CCOc1cc(ccc1C#N)Cl 34a_100000688488_100000210202 [0,2,0,0,0,0|1,0,1]=4 5888 B12R1.268 CCOc1cc(ccc1C#N)Cl 7a_100000688488_100000210202 [0,2,0,0,0,0|1,0,1]=4 5889 B12R1.268 CCOc1cc(ccc1C#N)F 34a_100012185923_100000210202 [0,2,0,0,0,0|1,0,1]=4 5890 B12R1.268 CCOc1cc(ccc1C#N)F 7a_100012185923_100000210202 [0,2,0,0,0,0|1,0,1]=4 5891 B12R1.268 CCOc1cc(ccc1C#N)N 34a_100000094571_100000210202 [0,2,0,0,0,0|1,0,1]=4 5892 B12R1.268 CCOc1cc(ccc1C#N)N 7a_100000094571_100000210202 [0,2,0,0,0,0|1,0,1]=4 5893 B12R1.268 CCOc1cc(ccc1C#N)O 271570a_203496583355_100013120067 [0,2,0,0,0,0|1,0,1]=4 5894 B12R1.268 CCOc1cc(ccc1CO)Br 34a_100000071718_100000210202 [0,2,0,0,0,0|0,0,2]=4 5895 B12R1.268 CCOc1cc(ccc1CO)Br 7a_100000071718_100000210202 [0,2,0,0,0,0|0,0,2]=4 5896 B12R1.268 CCOc1cc(ccc1NC)Br 2230a_100000688918_200000210301 [0,2,0,0,0,0|2,0,0]=4 5897 B12R1.268 CCOc1cc(ccc1NC)Br 34a_100000688918_200000210301 [0,2,0,0,0,0|2,0,0]=4 5898 B12R1.268 CCOc1cc(ccc1NC)C 2230a_100000742043_200000210301 [0,2,0,0,0,0|2,0,0]=4 5899 B12R1.268 CCOc1cc(ccc1NC)C 34a_100000742043_200000210301 [0,2,0,0,0,0|2,0,0]=4 5900 B12R1.268 CCOc1cc(ccc1NC)Cl 34a_100000687649_200000210301 [0,2,0,0,0,0|2,0,0]=4 5901 B12R1.268 CCOc1cc(ccc1NC)F 2230a_100000741351_200000210301 [0,2,0,0,0,0|2,0,0]=4 5902 B12R1.268 CCOc1cc(ccc1NC)F 34a_100000741351_200000210301 [0,2,0,0,0,0|2,0,0]=4 5903 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 2230a_100000688918_200025704644 [0,2,0,0,0,0|2,0,0]=4 5904 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 34a_100000688918_200025704644 [0,2,0,0,0,0|2,0,0]=4 5905 B12R1.268 CCOc1cc(ccc1N[13CH3])C 2230a_100000742043_200025704644 [0,2,0,0,0,0|2,0,0]=4 5906 B12R1.268 CCOc1cc(ccc1N[13CH3])C 34a_100000742043_200025704644 [0,2,0,0,0,0|2,0,0]=4 5907 B12R1.268 CCOc1cc(ccc1N[13CH3])Cl 34a_100000687649_200025704644 [0,2,0,0,0,0|2,0,0]=4 5908 B12R1.268 CCOc1cc(ccc1N[13CH3])F 2230a_100000741351_200025704644 [0,2,0,0,0,0|2,0,0]=4 5909 B12R1.268 CCOc1cc(ccc1N[13CH3])F 34a_100000741351_200025704644 [0,2,0,0,0,0|2,0,0]=4 5910 B12R1.268 CCOc1cc(ccc1OC)Br 34a_100009816560_100000210202 [0,2,0,0,0,0|1,0,1]=4 5911 B12R1.268 CCOc1cc(ccc1OC)Br 7a_100009816560_100000210202 [0,2,0,0,0,0|1,0,1]=4 5912 B12R1.268 CCOc1cc(ccc1OC)C 34a_100011216497_100000210202 [0,2,0,0,0,0|1,0,1]=4 5913 B12R1.268 CCOc1cc(ccc1OC)C 34a_200000034294_200000210301 [0,2,0,0,0,0|1,0,1]=4 5914 B12R1.268 CCOc1cc(ccc1OC)C 7a_100011216497_100000210202 [0,2,0,0,0,0|1,0,1]=4 5915 B12R1.268 CCOc1cc(ccc1OC)C 7a_200000034294_200000210301 [0,2,0,0,0,0|1,0,1]=4 5916 B12R1.268 CCOc1cc(ccc1OC)Cl 34a_100000101779_100000210202 [0,2,0,0,0,0|1,0,1]=4 5917 B12R1.268 CCOc1cc(ccc1OC)Cl 7a_100000101779_100000210202 [0,2,0,0,0,0|1,0,1]=4 5918 B12R1.268 CCOc1cc(ccc1OC)F 34a_100000034962_100000210202 [0,2,0,0,0,0|1,0,1]=4 5919 B12R1.268 CCOc1cc(ccc1OC)F 7a_100000034962_100000210202 [0,2,0,0,0,0|1,0,1]=4 5920 B12R1.268 CCOc1cc(ccc1OC)N 34a_100000211920_100000210202 [0,2,0,0,0,0|1,0,1]=4 5921 B12R1.268 CCOc1cc(ccc1OC)O 271570a_203496583355_200010219349 [0,2,0,0,0,0|1,0,1]=4 5922 B12R1.268 CCOc1cc(ccc1O[13CH3])C 34a_200000034294_200025704644 [0,2,0,0,0,0|1,0,1]=4 5923 B12R1.268 CCOc1cc(ccc1O[13CH3])C 7a_200000034294_200025704644 [0,2,0,0,0,0|1,0,1]=4 5924 B12R1.268 CCOc1cc(ccc1SC)C 62a_200000210301_200010713166 [0,2,0,0,0,0|2,0,0]=4 5925 B12R1.268 CCOc1cc(ccc1SC)C 62a_200010713166_200000210301 [0,2,0,0,0,0|2,0,0]=4 5926 B12R1.268 CCOc1cc(ccc1SC)F 62a_200000210301_200012340411 [0,2,0,0,0,0|2,0,0]=4 5927 B12R1.268 CCOc1cc(ccc1SC)F 62a_200012340411_200000210301 [0,2,0,0,0,0|2,0,0]=4 5928 B12R1.268 CCOc1cc(ccc1SC)N 62a_200000210301_200016990551 [0,2,0,0,0,0|2,0,0]=4 5929 B12R1.268 CCOc1cc(ccc1SC)N 62a_200016990551_200000210301 [0,2,0,0,0,0|2,0,0]=4 5930 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200010713166_200025704644 [0,2,0,0,0,0|2,0,0]=4 5931 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200025704644_200010713166 [0,2,0,0,0,0|2,0,0]=4 5932 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200012340411_200025704644 [0,2,0,0,0,0|2,0,0]=4 5933 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200025704644_200012340411 [0,2,0,0,0,0|2,0,0]=4 5934 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200016990551_200025704644 [0,2,0,0,0,0|2,0,0]=4 5935 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200025704644_200016990551 [0,2,0,0,0,0|2,0,0]=4 5936 B12R1.268 CCSc1cc(ccc1C=O)Br 62a_100000210202_100010146562 [0,2,0,0,0,0|0,1,0]=3 5937 B12R1.268 CCSc1cc(ccc1C=O)Br 62a_100010146562_100000210202 [0,2,0,0,0,0|0,1,0]=3 5938 B12R1.268 CCSc1cc(ccc1C=O)C 62a_100000210202_100011935181 [0,2,0,0,0,0|0,1,0]=3 5939 B12R1.268 CCSc1cc(ccc1C=O)C 62a_100011935181_100000210202 [0,2,0,0,0,0|0,1,0]=3 5940 B12R1.268 CCSc1cc(ccc1C=O)F 62a_100000210202_100000752949 [0,2,0,0,0,0|0,1,0]=3 5941 B12R1.268 CCSc1cc(ccc1C=O)F 62a_100000752949_100000210202 [0,2,0,0,0,0|0,1,0]=3 5942 B12R1.268 CCSc1cc(ccc1C=O)O 62a_100000210202_100011236494 [0,2,0,0,0,0|0,1,0]=3 5943 B12R1.268 CCSc1cc(ccc1C=O)O 62a_100011236494_100000210202 [0,2,0,0,0,0|0,1,0]=3 5944 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100000210202_100012351588 [0,2,0,0,0,0|1,0,1]=4 5945 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100012351588_100000210202 [0,2,0,0,0,0|1,0,1]=4 5946 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000186399_100000210202 [0,2,0,0,0,0|1,0,1]=4 5947 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000210202_100000186399 [0,2,0,0,0,0|1,0,1]=4 5948 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100000210202_100011215930 [0,2,0,0,0,0|1,0,1]=4 5949 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100011215930_100000210202 [0,2,0,0,0,0|1,0,1]=4 5950 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000171694_100000210202 [0,2,0,0,0,0|1,0,1]=4 5951 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000210202_100000171694 [0,2,0,0,0,0|1,0,1]=4 5952 B12R1.268 CCSc1cc(ccc1OC)N 62a_100000210202_100011356947 [0,2,0,0,0,0|1,0,1]=4 5953 B12R1.268 CCSc1cc(ccc1OC)N 62a_100011356947_100000210202 [0,2,0,0,0,0|1,0,1]=4 5954 B12R1.268 CCSc1cc(ccc1OC)O 62a_100000210202_100010234764 [0,2,0,0,0,0|1,0,1]=4 5955 B12R1.268 CCSc1cc(ccc1OC)O 62a_100010234764_100000210202 [0,2,0,0,0,0|1,0,1]=4 5956 B12R1.268 CCSc1cc(ncc1C=O)F 62a_100000210202_100009862493 [0,2,0,0,0,0|1,1,0]=4 5957 B12R1.268 CCSc1cc(ncc1C=O)F 62a_100009862493_100000210202 [0,2,0,0,0,0|1,1,0]=4 5958 B12R1.268 CCSc1nc(ccc1C=O)C 62a_100000085379_100000210202 [0,2,0,0,0,0|1,1,0]=4 5959 B12R1.268 CCSc1nc(ccc1C=O)C 62a_100000210202_100000085379 [0,2,0,0,0,0|1,1,0]=4 5960 B12R1.268 CCSc1nc(ccc1C=O)F 62a_100000210202_100009846357 [0,2,0,0,0,0|1,1,0]=4 5961 B12R1.268 CCSc1nc(ccc1C=O)F 62a_100009846357_100000210202 [0,2,0,0,0,0|1,1,0]=4 5962 B12R1.268 CCc1ccc(cc1COC)Br 34a_100010766240_200000210301 [0,2,0,0,0,0|1,0,1]=4 5963 B12R1.268 CCc1ccc(cc1COC)Br 7a_100010766240_200000210301 [0,2,0,0,0,0|1,0,1]=4 5964 B12R1.268 CCc1ccc(cc1CO[13CH3])Br 34a_100010766240_200025704644 [0,2,0,0,0,0|1,0,1]=4 5965 B12R1.268 CCc1ccc(cc1CO[13CH3])Br 7a_100010766240_200025704644 [0,2,0,0,0,0|1,0,1]=4 5966 B12R1.268 CNCc1cc(ccc1C=O)F 2230a_106832991635_100010132768 [0,2,0,0,0,0|1,0,0]=3 5967 B12R1.268 CNCc1cc(ccc1C=O)F 34a_100102657272_100010132768 [0,2,0,0,0,0|1,0,0]=3 5968 B12R1.268 CNCc1cc(ccc1C=O)F 7a_106832991635_100010132768 [0,2,0,0,0,0|1,0,0]=3 5969 B12R1.268 CNCc1cc(ccc1OC)Br 207a_100102657272_100000170026 [0,2,0,0,0,0|1,0,1]=4 5970 B12R1.268 CNCc1cc(ccc1OC)Br 2230a_106832991635_100000204665 [0,2,0,0,0,0|1,0,1]=4 5971 B12R1.268 CNCc1cc(ccc1OC)Br 26a_100102657272_100009816560 [0,2,0,0,0,0|1,0,1]=4 5972 B12R1.268 CNCc1cc(ccc1OC)Br 270004a_106832991635_100000170026 [0,2,0,0,0,0|1,0,1]=4 5973 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100000690498_200000210301 [0,2,0,0,0,0|1,0,1]=4 5974 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100011602694_200000210301 [0,2,0,0,0,0|1,0,1]=4 5975 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100102657272_100000204665 [0,2,0,0,0,0|1,0,1]=4 5976 B12R1.268 CNCc1cc(ccc1OC)Br 7a_106832991635_100000204665 [0,2,0,0,0,0|1,0,1]=4 5977 B12R1.268 CNCc1cc(ccc1OC)C 207a_100102657272_100000203738 [0,2,0,0,0,0|1,0,1]=4 5978 B12R1.268 CNCc1cc(ccc1OC)C 2230a_106832991635_100000199068 [0,2,0,0,0,0|1,0,1]=4 5979 B12R1.268 CNCc1cc(ccc1OC)C 270004a_106832991635_100000203738 [0,2,0,0,0,0|1,0,1]=4 5980 B12R1.268 CNCc1cc(ccc1OC)C 34a_100102657272_100000199068 [0,2,0,0,0,0|1,0,1]=4 5981 B12R1.268 CNCc1cc(ccc1OC)C 7a_106832991635_100000199068 [0,2,0,0,0,0|1,0,1]=4 5982 B12R1.268 CNCc1cc(ccc1OC)Cl 207a_100102657272_100000188328 [0,2,0,0,0,0|1,0,1]=4 5983 B12R1.268 CNCc1cc(ccc1OC)Cl 2230a_100000740580_200000210301 [0,2,0,0,0,0|1,0,1]=4 5984 B12R1.268 CNCc1cc(ccc1OC)Cl 2230a_106832991635_100000209806 [0,2,0,0,0,0|1,0,1]=4 5985 B12R1.268 CNCc1cc(ccc1OC)Cl 270004a_106832991635_100000188328 [0,2,0,0,0,0|1,0,1]=4 5986 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100000712467_200000210301 [0,2,0,0,0,0|1,0,1]=4 5987 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100000740580_200000210301 [0,2,0,0,0,0|1,0,1]=4 5988 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100102657272_100000209806 [0,2,0,0,0,0|1,0,1]=4 5989 B12R1.268 CNCc1cc(ccc1OC)Cl 7a_106832991635_100000209806 [0,2,0,0,0,0|1,0,1]=4 5990 B12R1.268 CNCc1cc(ccc1OC)F 207a_100102657272_100000722865 [0,2,0,0,0,0|1,0,1]=4 5991 B12R1.268 CNCc1cc(ccc1OC)F 2230a_106832991635_100011830354 [0,2,0,0,0,0|1,0,1]=4 5992 B12R1.268 CNCc1cc(ccc1OC)F 270004a_106832991635_100000722865 [0,2,0,0,0,0|1,0,1]=4 5993 B12R1.268 CNCc1cc(ccc1OC)F 34a_100011199032_200000210301 [0,2,0,0,0,0|1,0,1]=4 5994 B12R1.268 CNCc1cc(ccc1OC)F 34a_100102657272_100011830354 [0,2,0,0,0,0|1,0,1]=4 5995 B12R1.268 CNCc1cc(ccc1OC)F 34a_114855342409_200000210301 [0,2,0,0,0,0|1,0,1]=4 5996 B12R1.268 CNCc1cc(ccc1OC)F 7a_106832991635_100011830354 [0,2,0,0,0,0|1,0,1]=4 5997 B12R1.268 CNCc1cc(ccc1OC)I 207a_100102657272_100011266407 [0,2,0,0,0,0|1,0,1]=4 5998 B12R1.268 CNCc1cc(ccc1OC)I 270004a_106832991635_100011266407 [0,2,0,0,0,0|1,0,1]=4 5999 B12R1.268 CNCc1cc(ccc1OC)O 207a_100102657272_100000067581 [0,2,0,0,0,0|1,0,1]=4 6000 B12R1.268 CNCc1cc(ccc1OC)O 271570a_203496583355_100000690607 [0,2,0,0,0,0|1,0,1]=4 6001 B12R1.268 CNCc1cc(ccc1O[13CH3])Br 34a_100011602694_200025704644 [0,2,0,0,0,0|1,0,1]=4 6002 B12R1.268 CNCc1cc(ccc1O[13CH3])Cl 34a_100000712467_200025704644 [0,2,0,0,0,0|1,0,1]=4 6003 B12R1.268 CNCc1cc(ccc1O[13CH3])F 34a_114855342409_200025704644 [0,2,0,0,0,0|1,0,1]=4 6004 B12R1.268 COCc1cc(ccc1C#N)Br 34a_100138415774_100000718229 [0,2,0,0,0,0|1,0,1]=4 6005 B12R1.268 COCc1cc(ccc1C#N)F 34a_100138415774_100000759424 [0,2,0,0,0,0|1,0,1]=4 6006 B12R1.268 COCc1cc(ccc1C#N)F 34a_200011935090_200000210301 [0,2,0,0,0,0|1,0,1]=4 6007 B12R1.268 COCc1cc(ccc1C#N)F 7a_200011935090_200000210301 [0,2,0,0,0,0|1,0,1]=4 6008 B12R1.268 COCc1cc(ccc1C=O)F 34a_100138415774_100010132768 [0,2,0,0,0,0|0,0,0]=2 6009 B12R1.268 COCc1cc(ccc1OC)Br 34a_100000204679_200000210301 [0,2,0,0,0,0|0,0,2]=4 6010 B12R1.268 COCc1cc(ccc1OC)Br 34a_100138415774_100000204665 [0,2,0,0,0,0|0,0,2]=4 6011 B12R1.268 COCc1cc(ccc1OC)Br 7a_100000204679_200000210301 [0,2,0,0,0,0|0,0,2]=4 6012 B12R1.268 COCc1cc(ccc1OC)C 34a_100138415774_100000199068 [0,2,0,0,0,0|0,0,2]=4 6013 B12R1.268 COCc1cc(ccc1OC)C 34a_200000246444_200000210301 [0,2,0,0,0,0|0,0,2]=4 6014 B12R1.268 COCc1cc(ccc1OC)C 7a_200000246444_200000210301 [0,2,0,0,0,0|0,0,2]=4 6015 B12R1.268 COCc1cc(ccc1OC)Cl 34a_100138415774_100000209806 [0,2,0,0,0,0|0,0,2]=4 6016 B12R1.268 COCc1cc(ccc1OC)F 34a_100011266440_200000210301 [0,2,0,0,0,0|0,0,2]=4 6017 B12R1.268 COCc1cc(ccc1OC)F 34a_100135391359_200000210301 [0,2,0,0,0,0|0,0,2]=4 6018 B12R1.268 COCc1cc(ccc1OC)F 34a_100138415774_100011830354 [0,2,0,0,0,0|0,0,2]=4 6019 B12R1.268 COCc1cc(ccc1OC)F 7a_100011266440_200000210301 [0,2,0,0,0,0|0,0,2]=4 6020 B12R1.268 COCc1cc(ccc1OC)F 7a_100135391359_200000210301 [0,2,0,0,0,0|0,0,2]=4 6021 B12R1.268 COCc1cc(ccc1OC)I 34a_200137411115_200000210301 [0,2,0,0,0,0|0,0,2]=4 6022 B12R1.268 COCc1cc(ccc1OC)I 7a_200137411115_200000210301 [0,2,0,0,0,0|0,0,2]=4 6023 B12R1.268 COCc1cc(ccc1OC)O 271570a_203496583355_200011493686 [0,2,0,0,0,0|0,0,2]=4 6024 B12R1.268 COCc1cc(ccc1O[13CH3])F 34a_100135391359_200025704644 [0,2,0,0,0,0|0,0,2]=4 6025 B12R1.268 COCc1cc(ccc1O[13CH3])F 7a_100135391359_200025704644 [0,2,0,0,0,0|0,0,2]=4 6026 B12R1.268 COc1ccc(cc1CC#N)O 271570a_203496583355_200011218486 [0,2,0,0,0,0|1,0,1]=4 6027 B12R1.268 COc1ccc(cc1CCN)O 271570a_203496583355_100000763266 [0,2,0,0,0,0|1,0,1]=4 6028 B12R1.268 COc1ccc(cc1CN[13CH3])Br 34a_100000690498_200025704644 [0,2,0,0,0,0|1,0,1]=4 6029 B12R1.268 COc1ccc(cc1CN[13CH3])Cl 2230a_100000740580_200025704644 [0,2,0,0,0,0|1,0,1]=4 6030 B12R1.268 COc1ccc(cc1CN[13CH3])Cl 34a_100000740580_200025704644 [0,2,0,0,0,0|1,0,1]=4 6031 B12R1.268 COc1ccc(cc1CN[13CH3])F 34a_100011199032_200025704644 [0,2,0,0,0,0|1,0,1]=4 6032 B12R1.268 COc1ccc(cc1CO[13CH3])Br 34a_100000204679_200025704644 [0,2,0,0,0,0|0,0,2]=4 6033 B12R1.268 COc1ccc(cc1CO[13CH3])Br 7a_100000204679_200025704644 [0,2,0,0,0,0|0,0,2]=4 6034 B12R1.268 COc1ccc(cc1CO[13CH3])C 34a_200000246444_200025704644 [0,2,0,0,0,0|0,0,2]=4 6035 B12R1.268 COc1ccc(cc1CO[13CH3])C 7a_200000246444_200025704644 [0,2,0,0,0,0|0,0,2]=4 6036 B12R1.268 COc1ccc(cc1CO[13CH3])F 34a_100011266440_200025704644 [0,2,0,0,0,0|0,0,2]=4 6037 B12R1.268 COc1ccc(cc1CO[13CH3])F 7a_100011266440_200025704644 [0,2,0,0,0,0|0,0,2]=4 6038 B12R1.268 COc1ccc(cc1CO[13CH3])I 34a_200137411115_200025704644 [0,2,0,0,0,0|0,0,2]=4 6039 B12R1.268 COc1ccc(cc1CO[13CH3])I 7a_200137411115_200025704644 [0,2,0,0,0,0|0,0,2]=4 6040 B12R1.268 COc1ccc(cc1CSC)Br 62a_100000204665_200000210301 [0,2,0,0,0,0|0,1,1]=4 6041 B12R1.268 COc1ccc(cc1CSC)Br 62a_200000210301_100000204665 [0,2,0,0,0,0|0,1,1]=4 6042 B12R1.268 COc1ccc(cc1CSC)C 62a_100000199068_200000210301 [0,2,0,0,0,0|0,1,1]=4 6043 B12R1.268 COc1ccc(cc1CSC)C 62a_200000210301_100000199068 [0,2,0,0,0,0|0,1,1]=4 6044 B12R1.268 COc1ccc(cc1CSC)Cl 62a_100000209806_200000210301 [0,2,0,0,0,0|0,1,1]=4 6045 B12R1.268 COc1ccc(cc1CSC)Cl 62a_200000210301_100000209806 [0,2,0,0,0,0|0,1,1]=4 6046 B12R1.268 COc1ccc(cc1CSC)F 62a_100011830354_200000210301 [0,2,0,0,0,0|0,1,1]=4 6047 B12R1.268 COc1ccc(cc1CSC)F 62a_200000210301_100011830354 [0,2,0,0,0,0|0,1,1]=4 6048 B12R1.268 COc1ccc(cc1CS[13CH3])Br 62a_100000204665_200025704644 [0,2,0,0,0,0|0,1,1]=4 6049 B12R1.268 COc1ccc(cc1CS[13CH3])Br 62a_200025704644_100000204665 [0,2,0,0,0,0|0,1,1]=4 6050 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_100000199068_200025704644 [0,2,0,0,0,0|0,1,1]=4 6051 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_200025704644_100000199068 [0,2,0,0,0,0|0,1,1]=4 6052 B12R1.268 COc1ccc(cc1CS[13CH3])Cl 62a_100000209806_200025704644 [0,2,0,0,0,0|0,1,1]=4 6053 B12R1.268 COc1ccc(cc1CS[13CH3])Cl 62a_200025704644_100000209806 [0,2,0,0,0,0|0,1,1]=4 6054 B12R1.268 COc1ccc(cc1CS[13CH3])F 62a_100011830354_200025704644 [0,2,0,0,0,0|0,1,1]=4 6055 B12R1.268 COc1ccc(cc1CS[13CH3])F 62a_200025704644_100011830354 [0,2,0,0,0,0|0,1,1]=4 6056 B12R1.268 COc1ccc(cc1NCF)Br 34a_100000743470_100015361967 [0,2,0,0,0,0|1,0,1]=4 6057 B12R1.268 COc1ccc(cc1NCF)C 34a_100000210980_100015361967 [0,2,0,0,0,0|1,0,1]=4 6058 B12R1.268 COc1ccc(cc1NCF)Cl 34a_100000182114_100015361967 [0,2,0,0,0,0|1,0,1]=4 6059 B12R1.268 COc1ccc(cc1NCF)F 34a_100000757179_100015361967 [0,2,0,0,0,0|1,0,1]=4 6060 B12R1.268 COc1ccc(cc1OCF)Br 34a_100009816560_100015361967 [0,2,0,0,0,0|1,0,1]=4 6061 B12R1.268 COc1ccc(cc1OCF)Br 7a_100009816560_100015361967 [0,2,0,0,0,0|1,0,1]=4 6062 B12R1.268 COc1ccc(cc1OCF)C 34a_100011216497_100015361967 [0,2,0,0,0,0|1,0,1]=4 6063 B12R1.268 COc1ccc(cc1OCF)C 7a_100011216497_100015361967 [0,2,0,0,0,0|1,0,1]=4 6064 B12R1.268 COc1ccc(cc1OCF)Cl 34a_100000101779_100015361967 [0,2,0,0,0,0|1,0,1]=4 6065 B12R1.268 COc1ccc(cc1OCF)Cl 7a_100000101779_100015361967 [0,2,0,0,0,0|1,0,1]=4 6066 B12R1.268 COc1ccc(cc1OCF)F 34a_100000034962_100015361967 [0,2,0,0,0,0|1,0,1]=4 6067 B12R1.268 COc1ccc(cc1OCF)F 7a_100000034962_100015361967 [0,2,0,0,0,0|1,0,1]=4 6068 B12R1.268 COc1ccc(cc1OCF)N 34a_100000211920_100015361967 [0,2,0,0,0,0|1,0,1]=4 6069 B12R1.268 COc1ccc(cc1SCF)Br 62a_100012351588_100015361967 [0,2,0,0,0,0|1,0,1]=4 6070 B12R1.268 COc1ccc(cc1SCF)Br 62a_100015361967_100012351588 [0,2,0,0,0,0|1,0,1]=4 6071 B12R1.268 COc1ccc(cc1SCF)C 62a_100000186399_100015361967 [0,2,0,0,0,0|1,0,1]=4 6072 B12R1.268 COc1ccc(cc1SCF)C 62a_100015361967_100000186399 [0,2,0,0,0,0|1,0,1]=4 6073 B12R1.268 COc1ccc(cc1SCF)Cl 62a_100011215930_100015361967 [0,2,0,0,0,0|1,0,1]=4 6074 B12R1.268 COc1ccc(cc1SCF)Cl 62a_100015361967_100011215930 [0,2,0,0,0,0|1,0,1]=4 6075 B12R1.268 COc1ccc(cc1SCF)F 62a_100000171694_100015361967 [0,2,0,0,0,0|1,0,1]=4 6076 B12R1.268 COc1ccc(cc1SCF)F 62a_100015361967_100000171694 [0,2,0,0,0,0|1,0,1]=4 6077 B12R1.268 COc1ccc(cc1SCF)N 62a_100011356947_100015361967 [0,2,0,0,0,0|1,0,1]=4 6078 B12R1.268 COc1ccc(cc1SCF)N 62a_100015361967_100011356947 [0,2,0,0,0,0|1,0,1]=4 6079 B12R1.268 COc1ccc(cc1SCF)O 62a_100010234764_100015361967 [0,2,0,0,0,0|1,0,1]=4 6080 B12R1.268 COc1ccc(cc1SCF)O 62a_100015361967_100010234764 [0,2,0,0,0,0|1,0,1]=4 6081 B12R1.268 CSCc1cc(ccc1C=O)F 62a_100010132768_200000210301 [0,2,0,0,0,0|0,1,0]=3 6082 B12R1.268 CSCc1cc(ccc1C=O)F 62a_200000210301_100010132768 [0,2,0,0,0,0|0,1,0]=3 6083 B12R1.268 Cc1ccc(c(c1)OCF)C#N 34a_100011640519_100015361967 [0,2,0,0,0,0|1,0,1]=4 6084 B12R1.268 Cc1ccc(c(c1)OCF)C#N 7a_100011640519_100015361967 [0,2,0,0,0,0|1,0,1]=4 6085 B12R1.268 Cc1ccc(c(c1)SCF)C=O 62a_100011935181_100015361967 [0,2,0,0,0,0|0,1,0]=3 6086 B12R1.268 Cc1ccc(c(c1)SCF)C=O 62a_100015361967_100011935181 [0,2,0,0,0,0|0,1,0]=3 6087 B12R1.268 Cc1ccc(c(n1)SCF)C=O 62a_100000085379_100015361967 [0,2,0,0,0,0|1,1,0]=4 6088 B12R1.268 Cc1ccc(c(n1)SCF)C=O 62a_100015361967_100000085379 [0,2,0,0,0,0|1,1,0]=4 6089 B12R1.268 N#Cc1ccc(cc1OCF)Br 34a_100011934713_100015361967 [0,2,0,0,0,0|1,0,1]=4 6090 B12R1.268 N#Cc1ccc(cc1OCF)Br 7a_100011934713_100015361967 [0,2,0,0,0,0|1,0,1]=4 6091 B12R1.268 N#Cc1ccc(cc1OCF)Cl 34a_100000688488_100015361967 [0,2,0,0,0,0|1,0,1]=4 6092 B12R1.268 N#Cc1ccc(cc1OCF)Cl 7a_100000688488_100015361967 [0,2,0,0,0,0|1,0,1]=4 6093 B12R1.268 N#Cc1ccc(cc1OCF)F 34a_100012185923_100015361967 [0,2,0,0,0,0|1,0,1]=4 6094 B12R1.268 N#Cc1ccc(cc1OCF)F 7a_100012185923_100015361967 [0,2,0,0,0,0|1,0,1]=4 6095 B12R1.268 N#Cc1ccc(cc1OCF)N 34a_100000094571_100015361967 [0,2,0,0,0,0|1,0,1]=4 6096 B12R1.268 N#Cc1ccc(cc1OCF)N 7a_100000094571_100015361967 [0,2,0,0,0,0|1,0,1]=4 6097 B12R1.268 O=Cc1ccc(cc1SCF)Br 62a_100010146562_100015361967 [0,2,0,0,0,0|0,1,0]=3 6098 B12R1.268 O=Cc1ccc(cc1SCF)Br 62a_100015361967_100010146562 [0,2,0,0,0,0|0,1,0]=3 6099 B12R1.268 O=Cc1ccc(cc1SCF)F 62a_100000752949_100015361967 [0,2,0,0,0,0|0,1,0]=3 6100 B12R1.268 O=Cc1ccc(cc1SCF)F 62a_100015361967_100000752949 [0,2,0,0,0,0|0,1,0]=3 6101 B12R1.268 O=Cc1ccc(cc1SCF)O 62a_100011236494_100015361967 [0,2,0,0,0,0|0,1,0]=3 6102 B12R1.268 O=Cc1ccc(cc1SCF)O 62a_100015361967_100011236494 [0,2,0,0,0,0|0,1,0]=3 6103 B12R1.268 O=Cc1ccc(nc1SCF)F 62a_100009846357_100015361967 [0,2,0,0,0,0|1,1,0]=4 6104 B12R1.268 O=Cc1ccc(nc1SCF)F 62a_100015361967_100009846357 [0,2,0,0,0,0|1,1,0]=4 6105 B12R1.268 O=Cc1cnc(cc1SCF)F 62a_100009862493_100015361967 [0,2,0,0,0,0|1,1,0]=4 6106 B12R1.268 O=Cc1cnc(cc1SCF)F 62a_100015361967_100009862493 [0,2,0,0,0,0|1,1,0]=4 6107 B12R1.268 OCc1ccc(cc1OCF)Br 34a_100000071718_100015361967 [0,2,0,0,0,0|0,0,2]=4 6108 B12R1.268 OCc1ccc(cc1OCF)Br 7a_100000071718_100015361967 [0,2,0,0,0,0|0,0,2]=4 6109 B12R1.268 [13CH3]OCc1cc(ccc1C#N)F 34a_200011935090_200025704644 [0,2,0,0,0,0|1,0,1]=4 6110 B12R1.268 [13CH3]OCc1cc(ccc1C#N)F 7a_200011935090_200025704644 [0,2,0,0,0,0|1,0,1]=4 6111 B12R1.268 [13CH3]SCc1cc(ccc1C=O)F 62a_100010132768_200025704644 [0,2,0,0,0,0|0,1,0]=3 6112 B12R1.268 [13CH3]SCc1cc(ccc1C=O)F 62a_200025704644_100010132768 [0,2,0,0,0,0|0,1,0]=3 6113 B12R1.448 C=Cc1cc(c(cc1C=O)C)C 271570a_100011290941_100010184403 [0,2,0,0,0,0|1,0,1]=4 6114 B12R1.448 C=Cc1cc(c(cc1C=O)C)F 271570a_100011290941_100009814814 [0,2,0,0,0,0|1,0,1]=4 6115 B12R1.448 C=Cc1cc(c(cc1C=O)F)C 271570a_100011290941_100010186290 [0,2,0,0,0,0|1,0,1]=4 6116 B12R1.448 C=Cc1cc(c(cc1C=O)F)F 271570a_100011290941_100012344232 [0,2,0,0,0,0|1,0,1]=4 6117 B12R1.448 C=Cc1cc(c(cc1C=O)O)C 271570a_100011290941_100010186689 [0,2,0,0,0,0|1,0,1]=4 6118 B12R1.448 C=Cc1cc(c(cc1CC)O)F 271570a_100011290941_100011156610 [0,2,0,0,0,0|2,0,0]=4 6119 B12R1.448 C=Cc1cc(c(cc1OC)C)N 271570a_100011290941_106657271712 [0,2,0,0,0,0|1,0,0]=3 6120 B12R1.448 C=Cc1cc(c(cc1OC)F)C 271570a_100011290941_100010201977 [0,2,0,0,0,0|1,0,0]=3 6121 B12R1.448 C=Cc1cc(c(cc1OC)F)F 271570a_100011290941_100009813744 [0,2,0,0,0,0|1,0,0]=3 6122 B12R1.448 C=Cc1cc(c(cc1OC)N)C 271570a_100011290941_100010232211 [0,2,0,0,0,0|1,0,0]=3 6123 B12R1.448 C=Cc1cc(c(cc1OC)N)N 271570a_100011290941_100012769537 [0,2,0,0,0,0|1,0,0]=3 6124 B12R1.448 CNc1cc(c(cc1OC)Br)C 2230a_100010141321_200000210301 [0,2,0,0,0,0|2,0,0]=4 6125 B12R1.448 CNc1cc(c(cc1OC)Br)C 34a_100010141321_200000210301 [0,2,0,0,0,0|2,0,0]=4 6126 B12R1.448 CNc1cc(c(cc1OC)Br)Cl 2230a_100010212225_200000210301 [0,2,0,0,0,0|2,0,0]=4 6127 B12R1.448 CNc1cc(c(cc1OC)Br)Cl 34a_100010212225_200000210301 [0,2,0,0,0,0|2,0,0]=4 6128 B12R1.448 CNc1cc(c(cc1OC)Br)F 2230a_100012766639_200000210301 [0,2,0,0,0,0|2,0,0]=4 6129 B12R1.448 CNc1cc(c(cc1OC)Br)F 34a_100012766639_200000210301 [0,2,0,0,0,0|2,0,0]=4 6130 B12R1.448 CNc1cc(c(cc1OC)C)Cl 2230a_100009868623_200000210301 [0,2,0,0,0,0|2,0,0]=4 6131 B12R1.448 CNc1cc(c(cc1OC)C)Cl 34a_100009868623_200000210301 [0,2,0,0,0,0|2,0,0]=4 6132 B12R1.448 CNc1cc(c(cc1OC)Cl)Br 2230a_100010380671_200000210301 [0,2,0,0,0,0|2,0,0]=4 6133 B12R1.448 CNc1cc(c(cc1OC)Cl)Br 34a_100010380671_200000210301 [0,2,0,0,0,0|2,0,0]=4 6134 B12R1.448 CNc1cc(c(cc1OC)Cl)C 2230a_100000211396_200000210301 [0,2,0,0,0,0|2,0,0]=4 6135 B12R1.448 CNc1cc(c(cc1OC)Cl)C 34a_100000211396_200000210301 [0,2,0,0,0,0|2,0,0]=4 6136 B12R1.448 CNc1cc(c(cc1OC)Cl)I 34a_100011011177_200000210301 [0,2,0,0,0,0|2,0,0]=4 6137 B12R1.448 CNc1cc(c(cc1OC)F)Br 2230a_100012361397_200000210301 [0,2,0,0,0,0|2,0,0]=4 6138 B12R1.448 CNc1cc(c(cc1OC)F)Br 34a_100012361397_200000210301 [0,2,0,0,0,0|2,0,0]=4 6139 B12R1.448 CNc1cc(c(cc1OC)F)Br 7a_100012361397_200000210301 [0,2,0,0,0,0|2,0,0]=4 6140 B12R1.448 CNc1cc(c(cc1OC)F)Cl 2230a_100012186795_200000210301 [0,2,0,0,0,0|2,0,0]=4 6141 B12R1.448 CNc1cc(c(cc1OC)F)Cl 34a_100012186795_200000210301 [0,2,0,0,0,0|2,0,0]=4 6142 B12R1.448 CNc1cc(c(cc1OC)F)F 2230a_100000732608_200000210301 [0,2,0,0,0,0|2,0,0]=4 6143 B12R1.448 CNc1cc(c(cc1OC)F)F 34a_100000732608_200000210301 [0,2,0,0,0,0|2,0,0]=4 6144 B12R1.448 CNc1cc(c(cc1OC)F)F 7a_100000732608_200000210301 [0,2,0,0,0,0|2,0,0]=4 6145 B12R1.448 COc1cc(c(cc1C#N)Cl)F 34a_200014338297_200000210301 [0,2,0,0,0,0|1,0,1]=4 6146 B12R1.448 COc1cc(c(cc1C#N)Cl)F 7a_200014338297_200000210301 [0,2,0,0,0,0|1,0,1]=4 6147 B12R1.448 COc1cc(c(cc1C#N)F)Br 34a_200010827376_200000210301 [0,2,0,0,0,0|1,0,1]=4 6148 B12R1.448 COc1cc(c(cc1C#N)F)Br 7a_200010827376_200000210301 [0,2,0,0,0,0|1,0,1]=4 6149 B12R1.448 COc1cc(c(cc1C#N)F)F 34a_100000062209_200000210301 [0,2,0,0,0,0|1,0,1]=4 6150 B12R1.448 COc1cc(c(cc1C#N)F)F 7a_100000062209_200000210301 [0,2,0,0,0,0|1,0,1]=4 6151 B12R1.448 COc1cc(c(cc1N[13CH3])Br)Cl 2230a_100010380671_200025704644 [0,2,0,0,0,0|2,0,0]=4 6152 B12R1.448 COc1cc(c(cc1N[13CH3])Br)Cl 34a_100010380671_200025704644 [0,2,0,0,0,0|2,0,0]=4 6153 B12R1.448 COc1cc(c(cc1N[13CH3])Br)F 2230a_100012361397_200025704644 [0,2,0,0,0,0|2,0,0]=4 6154 B12R1.448 COc1cc(c(cc1N[13CH3])Br)F 34a_100012361397_200025704644 [0,2,0,0,0,0|2,0,0]=4 6155 B12R1.448 COc1cc(c(cc1N[13CH3])Br)F 7a_100012361397_200025704644 [0,2,0,0,0,0|2,0,0]=4 6156 B12R1.448 COc1cc(c(cc1N[13CH3])C)Br 2230a_100010141321_200025704644 [0,2,0,0,0,0|2,0,0]=4 6157 B12R1.448 COc1cc(c(cc1N[13CH3])C)Br 34a_100010141321_200025704644 [0,2,0,0,0,0|2,0,0]=4 6158 B12R1.448 COc1cc(c(cc1N[13CH3])C)Cl 2230a_100000211396_200025704644 [0,2,0,0,0,0|2,0,0]=4 6159 B12R1.448 COc1cc(c(cc1N[13CH3])C)Cl 34a_100000211396_200025704644 [0,2,0,0,0,0|2,0,0]=4 6160 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)Br 2230a_100010212225_200025704644 [0,2,0,0,0,0|2,0,0]=4 6161 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)Br 34a_100010212225_200025704644 [0,2,0,0,0,0|2,0,0]=4 6162 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)C 2230a_100009868623_200025704644 [0,2,0,0,0,0|2,0,0]=4 6163 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)C 34a_100009868623_200025704644 [0,2,0,0,0,0|2,0,0]=4 6164 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)F 2230a_100012186795_200025704644 [0,2,0,0,0,0|2,0,0]=4 6165 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)F 34a_100012186795_200025704644 [0,2,0,0,0,0|2,0,0]=4 6166 B12R1.448 COc1cc(c(cc1N[13CH3])F)Br 2230a_100012766639_200025704644 [0,2,0,0,0,0|2,0,0]=4 6167 B12R1.448 COc1cc(c(cc1N[13CH3])F)Br 34a_100012766639_200025704644 [0,2,0,0,0,0|2,0,0]=4 6168 B12R1.448 COc1cc(c(cc1N[13CH3])F)F 2230a_100000732608_200025704644 [0,2,0,0,0,0|2,0,0]=4 6169 B12R1.448 COc1cc(c(cc1N[13CH3])F)F 34a_100000732608_200025704644 [0,2,0,0,0,0|2,0,0]=4 6170 B12R1.448 COc1cc(c(cc1N[13CH3])F)F 7a_100000732608_200025704644 [0,2,0,0,0,0|2,0,0]=4 6171 B12R1.448 COc1cc(c(cc1N[13CH3])I)Cl 34a_100011011177_200025704644 [0,2,0,0,0,0|2,0,0]=4 6172 B12R1.448 COc1cc(c(cc1OC)Br)F 34a_100010189133_200000210301 [0,2,0,0,0,0|2,0,0]=4 6173 B12R1.448 COc1cc(c(cc1OC)Br)F 7a_100010189133_200000210301 [0,2,0,0,0,0|2,0,0]=4 6174 B12R1.448 COc1cc(c(cc1OC)F)O 271570a_203496583355_200011765842 [0,2,0,0,0,0|2,0,0]=4 6175 B12R1.448 COc1cc(c(cc1O[13CH3])F)Br 34a_100010189133_200025704644 [0,2,0,0,0,0|2,0,0]=4 6176 B12R1.448 COc1cc(c(cc1O[13CH3])F)Br 7a_100010189133_200025704644 [0,2,0,0,0,0|2,0,0]=4 6177 B12R1.448 COc1cc(c(cc1SC)C)F 62a_100010201977_200000210301 [0,2,0,0,0,0|2,0,0]=4 6178 B12R1.448 COc1cc(c(cc1SC)C)F 62a_200000210301_100010201977 [0,2,0,0,0,0|2,0,0]=4 6179 B12R1.448 COc1cc(c(cc1SC)C)N 62a_100010232211_200000210301 [0,2,0,0,0,0|2,0,0]=4 6180 B12R1.448 COc1cc(c(cc1SC)C)N 62a_200000210301_100010232211 [0,2,0,0,0,0|2,0,0]=4 6181 B12R1.448 COc1cc(c(cc1SC)F)F 62a_100009813744_200000210301 [0,2,0,0,0,0|2,0,0]=4 6182 B12R1.448 COc1cc(c(cc1SC)F)F 62a_200000210301_100009813744 [0,2,0,0,0,0|2,0,0]=4 6183 B12R1.448 COc1cc(c(cc1SC)N)C 62a_106657271712_200000210301 [0,2,0,0,0,0|2,0,0]=4 6184 B12R1.448 COc1cc(c(cc1SC)N)C 62a_200000210301_106657271712 [0,2,0,0,0,0|2,0,0]=4 6185 B12R1.448 COc1cc(c(cc1SC)N)N 62a_100012769537_200000210301 [0,2,0,0,0,0|2,0,0]=4 6186 B12R1.448 COc1cc(c(cc1S[13CH3])C)F 62a_100010201977_200025704644 [0,2,0,0,0,0|2,0,0]=4 6187 B12R1.448 COc1cc(c(cc1S[13CH3])C)F 62a_200025704644_100010201977 [0,2,0,0,0,0|2,0,0]=4 6188 B12R1.448 COc1cc(c(cc1S[13CH3])C)N 62a_100010232211_200025704644 [0,2,0,0,0,0|2,0,0]=4 6189 B12R1.448 COc1cc(c(cc1S[13CH3])C)N 62a_200025704644_100010232211 [0,2,0,0,0,0|2,0,0]=4 6190 B12R1.448 COc1cc(c(cc1S[13CH3])F)F 62a_100009813744_200025704644 [0,2,0,0,0,0|2,0,0]=4 6191 B12R1.448 COc1cc(c(cc1S[13CH3])F)F 62a_200025704644_100009813744 [0,2,0,0,0,0|2,0,0]=4 6192 B12R1.448 COc1cc(c(cc1S[13CH3])N)C 62a_106657271712_200025704644 [0,2,0,0,0,0|2,0,0]=4 6193 B12R1.448 COc1cc(c(cc1S[13CH3])N)C 62a_200025704644_106657271712 [0,2,0,0,0,0|2,0,0]=4 6194 B12R1.448 COc1cc(c(cc1S[13CH3])N)N 62a_100012769537_200025704644 [0,2,0,0,0,0|2,0,0]=4 6195 B12R1.448 CSc1cc(c(cc1C=O)C)C 62a_100010184403_200000210301 [0,2,0,0,0,0|0,1,0]=3 6196 B12R1.448 CSc1cc(c(cc1C=O)C)C 62a_200000210301_100010184403 [0,2,0,0,0,0|0,1,0]=3 6197 B12R1.448 CSc1cc(c(cc1C=O)C)F 62a_100009814814_200000210301 [0,2,0,0,0,0|0,1,0]=3 6198 B12R1.448 CSc1cc(c(cc1C=O)C)F 62a_200000210301_100009814814 [0,2,0,0,0,0|0,1,0]=3 6199 B12R1.448 CSc1cc(c(cc1C=O)F)C 62a_100010186290_200000210301 [0,2,0,0,0,0|0,1,0]=3 6200 B12R1.448 CSc1cc(c(cc1C=O)F)C 62a_200000210301_100010186290 [0,2,0,0,0,0|0,1,0]=3 6201 B12R1.448 CSc1cc(c(cc1C=O)F)F 62a_100012344232_200000210301 [0,2,0,0,0,0|0,1,0]=3 6202 B12R1.448 CSc1cc(c(cc1C=O)F)F 62a_200000210301_100012344232 [0,2,0,0,0,0|0,1,0]=3 6203 B12R1.448 CSc1cc(c(cc1C=O)O)C 62a_100010186689_200000210301 [0,2,0,0,0,0|0,1,0]=3 6204 B12R1.448 CSc1cc(c(cc1C=O)O)C 62a_200000210301_100010186689 [0,2,0,0,0,0|0,1,0]=3 6205 B12R1.448 Cc1cc(c(cc1C)S[13CH3])C=O 62a_100010184403_200025704644 [0,2,0,0,0,0|0,1,0]=3 6206 B12R1.448 Cc1cc(c(cc1C)S[13CH3])C=O 62a_200025704644_100010184403 [0,2,0,0,0,0|0,1,0]=3 6207 B12R1.448 Cc1cc(c(cc1F)C=O)S[13CH3] 62a_100010186290_200025704644 [0,2,0,0,0,0|0,1,0]=3 6208 B12R1.448 Cc1cc(c(cc1F)C=O)S[13CH3] 62a_200025704644_100010186290 [0,2,0,0,0,0|0,1,0]=3 6209 B12R1.448 Cc1cc(c(cc1F)S[13CH3])C=O 62a_100009814814_200025704644 [0,2,0,0,0,0|0,1,0]=3 6210 B12R1.448 Cc1cc(c(cc1F)S[13CH3])C=O 62a_200025704644_100009814814 [0,2,0,0,0,0|0,1,0]=3 6211 B12R1.448 Cc1cc(c(cc1O)C=O)S[13CH3] 62a_100010186689_200025704644 [0,2,0,0,0,0|0,1,0]=3 6212 B12R1.448 Cc1cc(c(cc1O)C=O)S[13CH3] 62a_200025704644_100010186689 [0,2,0,0,0,0|0,1,0]=3 6213 B12R1.448 [13CH3]Oc1cc(c(cc1C#N)Cl)F 34a_200014338297_200025704644 [0,2,0,0,0,0|1,0,1]=4 6214 B12R1.448 [13CH3]Oc1cc(c(cc1C#N)Cl)F 7a_200014338297_200025704644 [0,2,0,0,0,0|1,0,1]=4 6215 B12R1.448 [13CH3]Oc1cc(c(cc1C#N)F)Br 34a_200010827376_200025704644 [0,2,0,0,0,0|1,0,1]=4 6216 B12R1.448 [13CH3]Oc1cc(c(cc1C#N)F)Br 7a_200010827376_200025704644 [0,2,0,0,0,0|1,0,1]=4 6217 B12R1.448 [13CH3]Oc1cc(c(cc1C#N)F)F 34a_100000062209_200025704644 [0,2,0,0,0,0|1,0,1]=4 6218 B12R1.448 [13CH3]Oc1cc(c(cc1C#N)F)F 7a_100000062209_200025704644 [0,2,0,0,0,0|1,0,1]=4 6219 B12R1.448 [13CH3]Sc1cc(c(cc1C=O)F)F 62a_100012344232_200025704644 [0,2,0,0,0,0|0,1,0]=3 6220 B12R1.448 [13CH3]Sc1cc(c(cc1C=O)F)F 62a_200025704644_100012344232 [0,2,0,0,0,0|0,1,0]=3 6221 B12R1.652 C=Cc1c(ccc(c1C)F)C=O 271570a_100011290941_100009872231 [0,2,0,0,0,0|1,0,1]=4 6222 B12R1.652 C=Cc1c(ccc(c1F)F)C=O 271570a_100011290941_100015087033 [0,2,0,0,0,0|1,0,1]=4 6223 B12R1.652 C=Cc1c(ccc(c1F)F)OC 271570a_100011290941_100010204329 [0,2,0,0,0,0|1,0,0]=3 6224 B12R1.652 C=Cc1cc[n+](c(c1OC)C)[O-] 271570a_100011290941_100000067051 [0,2,0,0,0,0|2,0,0]=4 6225 B12R1.652 C=Cc1ccc(c(c1C=O)F)C 271570a_100011290941_100000039034 [0,2,0,0,0,0|1,0,1]=4 6226 B12R1.652 C=Cc1ccc(c(c1C=O)F)F 271570a_100011290941_100009814791 [0,2,0,0,0,0|1,0,1]=4 6227 B12R1.652 C=Cc1ccc(c(c1OC)F)C 271570a_100011290941_100010081143 [0,2,0,0,0,0|1,0,0]=3 6228 B12R1.652 C=Cc1ccc(c(c1OC)F)F 271570a_100011290941_100010223324 [0,2,0,0,0,0|1,0,0]=3 6229 B12R1.652 C=Cc1ccc(c(c1OC)O)F 271570a_100011290941_200010167157 [0,2,0,0,0,0|1,0,0]=3 6230 B12R1.652 C=Cc1ccc(c(c1SC)F)C 271570a_100011290941_200134762213 [0,2,0,0,0,0|1,1,0]=4 6231 B12R1.652 CNc1c(ccc(c1F)F)OC 34a_100000061648_200000210301 [0,2,0,0,0,0|2,0,0]=4 6232 B12R1.652 CNc1ccc(c(c1OC)Br)F 2230a_102516457224_200000210301 [0,2,0,0,0,0|2,0,0]=4 6233 B12R1.652 CNc1ccc(c(c1OC)Br)F 34a_102516457224_200000210301 [0,2,0,0,0,0|2,0,0]=4 6234 B12R1.652 CNc1ccc(c(c1OC)F)Br 2230a_100010734149_200000210301 [0,2,0,0,0,0|2,0,0]=4 6235 B12R1.652 CNc1ccc(c(c1OC)F)Br 34a_100010734149_200000210301 [0,2,0,0,0,0|2,0,0]=4 6236 B12R1.652 CNc1ccc(c(c1OC)F)F 2230a_100011695293_200000210301 [0,2,0,0,0,0|2,0,0]=4 6237 B12R1.652 CNc1ccc(c(c1OC)F)F 34a_100011695293_200000210301 [0,2,0,0,0,0|2,0,0]=4 6238 B12R1.652 COc1c(ccc(c1Br)F)C#N 34a_100010128267_200000210301 [0,2,0,0,0,0|1,0,1]=4 6239 B12R1.652 COc1c(ccc(c1Br)F)C#N 7a_100010128267_200000210301 [0,2,0,0,0,0|1,0,1]=4 6240 B12R1.652 COc1c(ccc(c1Br)F)N[13CH3] 2230a_102516457224_200025704644 [0,2,0,0,0,0|2,0,0]=4 6241 B12R1.652 COc1c(ccc(c1Br)F)N[13CH3] 34a_102516457224_200025704644 [0,2,0,0,0,0|2,0,0]=4 6242 B12R1.652 COc1c(ccc(c1Cl)Cl)C#N 34a_200010827036_200000210301 [0,2,0,0,0,0|1,0,1]=4 6243 B12R1.652 COc1c(ccc(c1Cl)Cl)C#N 7a_200010827036_200000210301 [0,2,0,0,0,0|1,0,1]=4 6244 B12R1.652 COc1c(ccc(c1F)Br)N[13CH3] 2230a_100010734149_200025704644 [0,2,0,0,0,0|2,0,0]=4 6245 B12R1.652 COc1c(ccc(c1F)Br)N[13CH3] 34a_100010734149_200025704644 [0,2,0,0,0,0|2,0,0]=4 6246 B12R1.652 COc1c(ccc(c1F)C)SC 62a_100010081143_200000210301 [0,2,0,0,0,0|2,0,0]=4 6247 B12R1.652 COc1c(ccc(c1F)C)SC 62a_200000210301_100010081143 [0,2,0,0,0,0|2,0,0]=4 6248 B12R1.652 COc1c(ccc(c1F)C)S[13CH3] 62a_100010081143_200025704644 [0,2,0,0,0,0|2,0,0]=4 6249 B12R1.652 COc1c(ccc(c1F)C)S[13CH3] 62a_200025704644_100010081143 [0,2,0,0,0,0|2,0,0]=4 6250 B12R1.652 COc1c(ccc(c1F)F)C#N 34a_200000080570_200000210301 [0,2,0,0,0,0|1,0,1]=4 6251 B12R1.652 COc1c(ccc(c1F)F)C#N 7a_200000080570_200000210301 [0,2,0,0,0,0|1,0,1]=4 6252 B12R1.652 COc1c(ccc(c1F)F)N[13CH3] 2230a_100011695293_200025704644 [0,2,0,0,0,0|2,0,0]=4 6253 B12R1.652 COc1c(ccc(c1F)F)N[13CH3] 34a_100011695293_200025704644 [0,2,0,0,0,0|2,0,0]=4 6254 B12R1.652 COc1c(ccc(c1F)F)SC 62a_100010223324_200000210301 [0,2,0,0,0,0|2,0,0]=4 6255 B12R1.652 COc1c(ccc(c1F)F)SC 62a_200000210301_100010223324 [0,2,0,0,0,0|2,0,0]=4 6256 B12R1.652 COc1c(ccc(c1F)F)S[13CH3] 62a_100010223324_200025704644 [0,2,0,0,0,0|2,0,0]=4 6257 B12R1.652 COc1c(ccc(c1F)F)S[13CH3] 62a_200025704644_100010223324 [0,2,0,0,0,0|2,0,0]=4 6258 B12R1.652 COc1c(ccc(c1F)O)C#N 271570a_203496583355_200010764283 [0,2,0,0,0,0|1,0,1]=4 6259 B12R1.652 COc1c(ccc(c1O)F)SC 62a_200000210301_200010167157 [0,2,0,0,0,0|2,0,0]=4 6260 B12R1.652 COc1c(ccc(c1O)F)S[13CH3] 62a_200025704644_200010167157 [0,2,0,0,0,0|2,0,0]=4 6261 B12R1.652 COc1ccc(c(c1C#N)Br)Cl 34a_100015534069_200000210301 [0,2,0,0,0,0|1,0,1]=4 6262 B12R1.652 COc1ccc(c(c1C#N)Br)Cl 7a_100015534069_200000210301 [0,2,0,0,0,0|1,0,1]=4 6263 B12R1.652 COc1ccc(c(c1C=O)F)O 271570a_203496583355_100010202131 [0,2,0,0,0,0|0,0,0]=2 6264 B12R1.652 COc1ccc(c(c1C=O)O)F 271570a_203496583355_100021272739 [0,2,0,0,0,0|0,0,0]=2 6265 B12R1.652 COc1ccc(c(c1N[13CH3])F)F 34a_100000061648_200025704644 [0,2,0,0,0,0|2,0,0]=4 6266 B12R1.652 COc1ccc(c(c1OC)C)O 271570a_203496583355_100010000156 [0,2,0,0,0,0|2,0,0]=4 6267 B12R1.652 COc1ccc(c(c1OC)F)F 34a_100000062125_200000210301 [0,2,0,0,0,0|2,0,0]=4 6268 B12R1.652 COc1ccc(c(c1OC)F)F 7a_100000062125_200000210301 [0,2,0,0,0,0|2,0,0]=4 6269 B12R1.652 COc1ccc(c(c1O[13CH3])F)F 34a_100000062125_200025704644 [0,2,0,0,0,0|2,0,0]=4 6270 B12R1.652 COc1ccc(c(c1O[13CH3])F)F 7a_100000062125_200025704644 [0,2,0,0,0,0|2,0,0]=4 6271 B12R1.652 COc1ccc(c(c1SC)F)F 62a_100010204329_200000210301 [0,2,0,0,0,0|2,0,0]=4 6272 B12R1.652 COc1ccc(c(c1SC)F)F 62a_200000210301_100010204329 [0,2,0,0,0,0|2,0,0]=4 6273 B12R1.652 COc1ccc(c(c1S[13CH3])F)F 62a_100010204329_200025704644 [0,2,0,0,0,0|2,0,0]=4 6274 B12R1.652 COc1ccc(c(c1S[13CH3])F)F 62a_200025704644_100010204329 [0,2,0,0,0,0|2,0,0]=4 6275 B12R1.652 CSc1c(ccc(c1C)F)C=O 62a_100009872231_200000210301 [0,2,0,0,0,0|0,1,0]=3 6276 B12R1.652 CSc1c(ccc(c1C)F)C=O 62a_200000210301_100009872231 [0,2,0,0,0,0|0,1,0]=3 6277 B12R1.652 CSc1c(ccc(c1F)F)C=O 62a_100015087033_200000210301 [0,2,0,0,0,0|0,1,0]=3 6278 B12R1.652 CSc1c(ccc(c1F)F)C=O 62a_200000210301_100015087033 [0,2,0,0,0,0|0,1,0]=3 6279 B12R1.652 CSc1c(ccc(c1O)O)C=O 62a_200000210301_200010659824 [0,2,0,0,0,0|0,1,0]=3 6280 B12R1.652 CSc1ccc(c(c1C=O)F)C 62a_100000039034_200000210301 [0,2,0,0,0,0|0,1,0]=3 6281 B12R1.652 CSc1ccc(c(c1C=O)F)C 62a_200000210301_100000039034 [0,2,0,0,0,0|0,1,0]=3 6282 B12R1.652 CSc1ccc(c(c1C=O)F)F 62a_100009814791_200000210301 [0,2,0,0,0,0|0,1,0]=3 6283 B12R1.652 CSc1ccc(c(c1C=O)F)F 62a_200000210301_100009814791 [0,2,0,0,0,0|0,1,0]=3 6284 B12R1.652 CSc1cnc(c(c1C=O)F)F 62a_100009829415_200000210301 [0,2,0,0,0,0|1,1,0]=4 6285 B12R1.652 CSc1cnc(c(c1C=O)F)F 62a_200000210301_100009829415 [0,2,0,0,0,0|1,1,0]=4 6286 B12R1.652 Cc1c(ccc(c1S[13CH3])C=O)F 62a_100009872231_200025704644 [0,2,0,0,0,0|0,1,0]=3 6287 B12R1.652 Cc1c(ccc(c1S[13CH3])C=O)F 62a_200025704644_100009872231 [0,2,0,0,0,0|0,1,0]=3 6288 B12R1.652 Cc1ccc(c(c1F)C=O)S[13CH3] 62a_100000039034_200025704644 [0,2,0,0,0,0|0,1,0]=3 6289 B12R1.652 Cc1ccc(c(c1F)C=O)S[13CH3] 62a_200025704644_100000039034 [0,2,0,0,0,0|0,1,0]=3 6290 B12R1.652 [13CH3]Oc1c(ccc(c1Br)F)C#N 34a_100010128267_200025704644 [0,2,0,0,0,0|1,0,1]=4 6291 B12R1.652 [13CH3]Oc1c(ccc(c1Br)F)C#N 7a_100010128267_200025704644 [0,2,0,0,0,0|1,0,1]=4 6292 B12R1.652 [13CH3]Oc1c(ccc(c1Cl)Cl)C#N 34a_200010827036_200025704644 [0,2,0,0,0,0|1,0,1]=4 6293 B12R1.652 [13CH3]Oc1c(ccc(c1Cl)Cl)C#N 7a_200010827036_200025704644 [0,2,0,0,0,0|1,0,1]=4 6294 B12R1.652 [13CH3]Oc1c(ccc(c1F)F)C#N 34a_200000080570_200025704644 [0,2,0,0,0,0|1,0,1]=4 6295 B12R1.652 [13CH3]Oc1c(ccc(c1F)F)C#N 7a_200000080570_200025704644 [0,2,0,0,0,0|1,0,1]=4 6296 B12R1.652 [13CH3]Oc1ccc(c(c1C#N)Br)Cl 34a_100015534069_200025704644 [0,2,0,0,0,0|1,0,1]=4 6297 B12R1.652 [13CH3]Oc1ccc(c(c1C#N)Br)Cl 7a_100015534069_200025704644 [0,2,0,0,0,0|1,0,1]=4 6298 B12R1.652 [13CH3]Sc1c(ccc(c1F)F)C=O 62a_100015087033_200025704644 [0,2,0,0,0,0|0,1,0]=3 6299 B12R1.652 [13CH3]Sc1c(ccc(c1F)F)C=O 62a_200025704644_100015087033 [0,2,0,0,0,0|0,1,0]=3 6300 B12R1.652 [13CH3]Sc1c(ccc(c1O)O)C=O 62a_200025704644_200010659824 [0,2,0,0,0,0|0,1,0]=3 6301 B12R1.652 [13CH3]Sc1ccc(c(c1C=O)F)F 62a_100009814791_200025704644 [0,2,0,0,0,0|0,1,0]=3 6302 B12R1.652 [13CH3]Sc1ccc(c(c1C=O)F)F 62a_200025704644_100009814791 [0,2,0,0,0,0|0,1,0]=3 6303 B12R1.652 [13CH3]Sc1cnc(c(c1C=O)F)F 62a_100009829415_200025704644 [0,2,0,0,0,0|1,1,0]=4 6304 B12R1.652 [13CH3]Sc1cnc(c(c1C=O)F)F 62a_200025704644_100009829415 [0,2,0,0,0,0|1,1,0]=4 6305 B12R1.75 C#Cc1ccccc1NC(=O)C 11a_100011470550_100015343762 [0,2,0,0,0,0|1,0,1]=4 6306 B12R1.75 C#Cc1ccccc1NC(=O)C 1626a_100011470550_100015343762 [0,2,0,0,0,0|1,0,1]=4 6307 B12R1.75 C#Cc1ccccc1NC(=O)C 22a_100011470550_100000070787 [0,2,0,0,0,0|1,0,1]=4 6308 B12R1.75 C#Cc1ccccc1OC(C)C 34a_200011470546_100000210206 [0,2,0,0,0,0|1,0,1]=4 6309 B12R1.75 C#Cc1ccccc1OC(C)C 7a_200011470546_100000210206 [0,2,0,0,0,0|1,0,1]=4 6310 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,2,0,0,0,0|1,0,1]=4 6311 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,2,0,0,0,0|1,0,1]=4 6312 B12R1.75 C=Cc1ccccc1CN(C)C 271570a_100011290941_100000174758 [0,2,0,0,0,0|2,0,0]=4 6313 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [0,2,0,0,0,0|1,0,1]=4 6314 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [0,2,0,0,0,0|1,0,1]=4 6315 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [0,2,0,0,0,0|1,0,1]=4 6316 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [0,2,0,0,0,0|1,0,1]=4 6317 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [0,2,0,0,0,0|1,0,1]=4 6318 B12R1.75 C=Cc1ccccc1NC(C)C 271570a_100011290941_100000219599 [0,2,0,0,0,0|2,0,0]=4 6319 B12R1.75 C=Cc1ccccc1NC(C)C 34a_100012022501_100000210206 [0,2,0,0,0,0|2,0,0]=4 6320 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,2,0,0,0,0|1,0,0]=3 6321 B12R1.75 C=Cc1ccccc1OC(C)C 271570a_100011290941_100000173919 [0,2,0,0,0,0|1,0,0]=3 6322 B12R1.75 C=Cc1ccccc1OC(F)F 271570a_100011290941_100000742724 [0,2,0,0,0,0|1,0,0]=3 6323 B12R1.75 C=Cc1ccccc1SC(C)C 62a_100000210206_100011218376 [0,2,0,0,0,0|1,1,0]=4 6324 B12R1.75 C=Cc1ccccc1SC(C)C 62a_100011218376_100000210206 [0,2,0,0,0,0|1,1,0]=4 6325 B12R1.75 C=Cc1cccnc1OC(C)C 271570a_100011290941_200011465186 [0,2,0,0,0,0|2,0,0]=4 6326 B12R1.75 C=Cc1ncccc1OC(=O)C 271570a_100011290941_200009815371 [0,2,0,0,0,0|2,0,0]=4 6327 B12R1.75 C=Cc1ncccc1OC(F)F 271570a_100011290941_100000697348 [0,2,0,0,0,0|2,0,0]=4 6328 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [0,2,0,0,0,0|1,0,0]=3 6329 B12R1.75 CC(=Cc1cccnc1C=O)C 271570a_100102525489_100011934733 [0,2,0,0,0,0|2,0,0]=4 6330 B12R1.75 CC(=Cc1ccncc1C=O)C 271570a_100102525489_100000050567 [0,2,0,0,0,0|2,0,0]=4 6331 B12R1.75 CC(=Cc1cnccc1C=O)C 271570a_100102525489_100011934409 [0,2,0,0,0,0|2,0,0]=4 6332 B12R1.75 CC(=Cc1ncccc1C=O)C 271570a_100102525489_100009816751 [0,2,0,0,0,0|2,0,0]=4 6333 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000070787_100000181865 [0,2,0,0,0,0|2,0,0]=4 6334 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000238613_200000210301 [0,2,0,0,0,0|2,0,0]=4 6335 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [0,2,0,0,0,0|1,0,0]=3 6336 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,2,0,0,0,0|2,0,0]=4 6337 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,2,0,0,0,0|0,1,0]=3 6338 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,2,0,0,0,0|0,1,0]=3 6339 B12R1.75 CC(=O)Nc1ccccc1C#N 11a_100000211148_100015343762 [0,2,0,0,0,0|2,0,0]=4 6340 B12R1.75 CC(=O)Nc1ccccc1C#N 1626a_100000211148_100015343762 [0,2,0,0,0,0|2,0,0]=4 6341 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,2,0,0,0,0|2,0,0]=4 6342 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,2,0,0,0,0|1,0,0]=3 6343 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,2,0,0,0,0|0,0,0]=2 6344 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,2,0,0,0,0|0,0,0]=2 6345 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,2,0,0,0,0|0,1,0]=3 6346 B12R1.75 CC(=O)Nc1ccncc1S[13CH3] 62a_200025704644_100016132053 [0,2,0,0,0,0|1,1,0]=4 6347 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,2,0,0,0,0|1,0,0]=3 6348 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,2,0,0,0,0|1,0,0]=3 6349 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,2,0,0,0,0|0,1,0]=3 6350 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,2,0,0,0,0|0,1,0]=3 6351 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [0,2,0,0,0,0|1,1,0]=4 6352 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [0,2,0,0,0,0|1,1,0]=4 6353 B12R1.75 CC(C)Oc1ccccc1C#N 34a_100000211048_100000210206 [0,2,0,0,0,0|1,0,1]=4 6354 B12R1.75 CC(C)Oc1ccccc1C#N 7a_100000211048_100000210206 [0,2,0,0,0,0|1,0,1]=4 6355 B12R1.75 CC(C)Oc1ccccc1CN 34a_100000185550_100000210206 [0,2,0,0,0,0|1,0,1]=4 6356 B12R1.75 CC(C)Oc1ccccc1CO 34a_100011216872_100000210206 [0,2,0,0,0,0|0,0,2]=4 6357 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [0,2,0,0,0,0|2,0,0]=4 6358 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [0,2,0,0,0,0|2,0,0]=4 6359 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [0,2,0,0,0,0|1,0,1]=4 6360 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [0,2,0,0,0,0|1,0,1]=4 6361 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [0,2,0,0,0,0|2,0,0]=4 6362 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [0,2,0,0,0,0|2,0,0]=4 6363 B12R1.75 CC(C)Sc1ccccc1C=O 62a_100000210073_100000210206 [0,2,0,0,0,0|0,1,0]=3 6364 B12R1.75 CC(C)Sc1ccccc1C=O 62a_100000210206_100000210073 [0,2,0,0,0,0|0,1,0]=3 6365 B12R1.75 CC(C)Sc1cccnc1C=O 62a_100000210206_100011934733 [0,2,0,0,0,0|1,1,0]=4 6366 B12R1.75 CC(C)Sc1cccnc1C=O 62a_100011934733_100000210206 [0,2,0,0,0,0|1,1,0]=4 6367 B12R1.75 CC(C)Sc1ccncc1C=O 62a_100000050567_100000210206 [0,2,0,0,0,0|1,1,0]=4 6368 B12R1.75 CC(C)Sc1ccncc1C=O 62a_100000210206_100000050567 [0,2,0,0,0,0|1,1,0]=4 6369 B12R1.75 CC(C)Sc1cnccc1C=O 62a_100000210206_100011934409 [0,2,0,0,0,0|1,1,0]=4 6370 B12R1.75 CC(C)Sc1cnccc1C=O 62a_100011934409_100000210206 [0,2,0,0,0,0|1,1,0]=4 6371 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100000210206_100009816751 [0,2,0,0,0,0|1,1,0]=4 6372 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100009816751_100000210206 [0,2,0,0,0,0|1,1,0]=4 6373 B12R1.75 CCc1ccccc1C=C(C)C 271570a_100102525489_100011215823 [0,2,0,0,0,0|2,0,0]=4 6374 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,2,0,0,0,0|1,0,0]=3 6375 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,2,0,0,0,0|1,0,0]=3 6376 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,2,0,0,0,0|1,0,0]=3 6377 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,2,0,0,0,0|1,0,0]=3 6378 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [0,2,0,0,0,0|1,0,1]=4 6379 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [0,2,0,0,0,0|1,0,1]=4 6380 B12R1.75 CN(C)Cc1ccccc1C=O 2230a_100102631434_200009853537 [0,2,0,0,0,0|1,0,0]=3 6381 B12R1.75 CN(C)Cc1ccccc1C=O 269982a_100102631434_200009853537 [0,2,0,0,0,0|1,0,0]=3 6382 B12R1.75 CNc1ccccc1C=C(C)C 271570a_100102525489_100020606079 [0,2,0,0,0,0|2,0,0]=4 6383 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,2,0,0,0,0|1,0,0]=3 6384 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [0,2,0,0,0,0|2,0,0]=4 6385 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [0,2,0,0,0,0|2,0,0]=4 6386 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [0,2,0,0,0,0|2,0,0]=4 6387 B12R1.75 CNc1ccccc1OC(F)F 2230a_100000182466_200000210301 [0,2,0,0,0,0|2,0,0]=4 6388 B12R1.75 CNc1ccccc1OC(F)F 34a_100000182466_200000210301 [0,2,0,0,0,0|2,0,0]=4 6389 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [0,2,0,0,0,0|1,0,0]=3 6390 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,2,0,0,0,0|0,0,0]=2 6391 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,2,0,0,0,0|0,0,0]=2 6392 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,2,0,0,0,0|0,0,0]=2 6393 B12R1.75 COc1ccccc1CN(C)C 2230a_100000184376_200000210301 [0,2,0,0,0,0|1,0,1]=4 6394 B12R1.75 COc1ccccc1CN(C)C 2230a_100102631434_100000210004 [0,2,0,0,0,0|1,0,1]=4 6395 B12R1.75 COc1ccccc1CN(C)C 269982a_100000184376_200000210301 [0,2,0,0,0,0|1,0,1]=4 6396 B12R1.75 COc1ccccc1CN(C)C 269982a_100102631434_100000210004 [0,2,0,0,0,0|1,0,1]=4 6397 B12R1.75 COc1ccccc1CN(C)C 270004a_100102631434_100000169842 [0,2,0,0,0,0|1,0,1]=4 6398 B12R1.75 COc1ccccc1CN(C)[13CH3] 2230a_100000184376_200025704644 [0,2,0,0,0,0|1,0,1]=4 6399 B12R1.75 COc1ccccc1CN(C)[13CH3] 269982a_100000184376_200025704644 [0,2,0,0,0,0|1,0,1]=4 6400 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,2,0,0,0,0|0,0,0]=2 6401 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,2,0,0,0,0|0,0,0]=2 6402 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,2,0,0,0,0|0,0,0]=2 6403 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,2,0,0,0,0|0,0,0]=2 6404 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,2,0,0,0,0|0,0,0]=2 6405 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,2,0,0,0,0|0,0,0]=2 6406 B12R1.75 COc1ccccc1NC(=S)N 7a_200000011649_200000210301 [0,2,0,0,0,0|0,1,0]=3 6407 B12R1.75 COc1ccccc1NC(C)C 34a_100000210025_100000210206 [0,2,0,0,0,0|1,0,1]=4 6408 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [0,2,0,0,0,0|1,0,1]=4 6409 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [0,2,0,0,0,0|1,0,1]=4 6410 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [0,2,0,0,0,0|1,0,1]=4 6411 B12R1.75 COc1ccccc1OC(F)F 34a_100000752575_200000210301 [0,2,0,0,0,0|1,0,1]=4 6412 B12R1.75 COc1ccccc1OC(F)F 7a_100000752575_200000210301 [0,2,0,0,0,0|1,0,1]=4 6413 B12R1.75 COc1ccccc1SC(C)C 62a_100000210206_100000210334 [0,2,0,0,0,0|1,0,1]=4 6414 B12R1.75 COc1ccccc1SC(C)C 62a_100000210334_100000210206 [0,2,0,0,0,0|1,0,1]=4 6415 B12R1.75 COc1cccnc1C=C(C)C 271570a_100102525489_100000690851 [0,2,0,0,0,0|2,0,0]=4 6416 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,2,0,0,0,0|1,0,0]=3 6417 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,2,0,0,0,0|1,0,0]=3 6418 B12R1.75 COc1ccncc1C=C(C)C 271570a_100102525489_100011997281 [0,2,0,0,0,0|2,0,0]=4 6419 B12R1.75 COc1cnccc1C=C(C)C 271570a_100102525489_100016988167 [0,2,0,0,0,0|2,0,0]=4 6420 B12R1.75 COc1cnccc1CC(=O)C 1458a_100000070787_100020635607 [0,2,0,0,0,0|1,0,0]=3 6421 B12R1.75 COc1ncccc1C=C(C)C 271570a_100102525489_100000047025 [0,2,0,0,0,0|2,0,0]=4 6422 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,2,0,0,0,0|1,0,0]=3 6423 B12R1.75 CSc1ccccc1C=C(C)C 271570a_100102525489_100011217816 [0,2,0,0,0,0|1,1,0]=4 6424 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,2,0,0,0,0|0,1,0]=3 6425 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,2,0,0,0,0|0,1,0]=3 6426 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,2,0,0,0,0|0,1,0]=3 6427 B12R1.75 CSc1ccccc1CC(=O)N 62a_200000210301_200009814924 [0,2,0,0,0,0|0,1,0]=3 6428 B12R1.75 CSc1ccccc1CC(=O)N 62a_200009814924_200000210301 [0,2,0,0,0,0|0,1,0]=3 6429 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,2,0,0,0,0|0,1,0]=3 6430 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,2,0,0,0,0|0,1,0]=3 6431 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,2,0,0,0,0|0,1,0]=3 6432 B12R1.75 CSc1ccccc1NC(=O)N 62a_200000210301_100000742221 [0,2,0,0,0,0|0,1,0]=3 6433 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,2,0,0,0,0|0,1,0]=3 6434 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,2,0,0,0,0|0,1,0]=3 6435 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [0,2,0,0,0,0|2,0,0]=4 6436 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [0,2,0,0,0,0|2,0,0]=4 6437 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [0,2,0,0,0,0|2,0,0]=4 6438 B12R1.75 CSc1ccccc1OC(F)F 62a_100011263859_200000210301 [0,2,0,0,0,0|2,0,0]=4 6439 B12R1.75 CSc1ccccc1OC(F)F 62a_200000210301_100011263859 [0,2,0,0,0,0|2,0,0]=4 6440 B12R1.75 CSc1cnccc1NC(=O)C 62a_200000210301_100016132053 [0,2,0,0,0,0|1,1,0]=4 6441 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [0,2,0,0,0,0|1,1,0]=4 6442 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [0,2,0,0,0,0|1,1,0]=4 6443 B12R1.75 [13CH3]C(=O)Cc1ccccc1C#N 1458a_100000238613_200025704644 [0,2,0,0,0,0|2,0,0]=4 6444 B12R1.75 [13CH3]Nc1ccccc1OC(F)F 2230a_100000182466_200025704644 [0,2,0,0,0,0|2,0,0]=4 6445 B12R1.75 [13CH3]Nc1ccccc1OC(F)F 34a_100000182466_200025704644 [0,2,0,0,0,0|2,0,0]=4 6446 B12R1.75 [13CH3]Oc1ccccc1NC(=S)N 7a_200000011649_200025704644 [0,2,0,0,0,0|0,1,0]=3 6447 B12R1.75 [13CH3]Oc1ccccc1OC(F)F 34a_100000752575_200025704644 [0,2,0,0,0,0|1,0,1]=4 6448 B12R1.75 [13CH3]Oc1ccccc1OC(F)F 7a_100000752575_200025704644 [0,2,0,0,0,0|1,0,1]=4 6449 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200009814924_200025704644 [0,2,0,0,0,0|0,1,0]=3 6450 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200025704644_200009814924 [0,2,0,0,0,0|0,1,0]=3 6451 B12R1.75 [13CH3]Sc1ccccc1NC(=O)N 62a_200025704644_100000742221 [0,2,0,0,0,0|0,1,0]=3 6452 B12R1.75 [13CH3]Sc1ccccc1OC(F)F 62a_100011263859_200025704644 [0,2,0,0,0,0|2,0,0]=4 6453 B12R1.75 [13CH3]Sc1ccccc1OC(F)F 62a_200025704644_100011263859 [0,2,0,0,0,0|2,0,0]=4 6454 B12R1.77 C#Cc1ccccc1C(=O)CC 1458a_100011243808_100000210202 [0,2,0,0,0,0|1,0,1]=4 6455 B12R1.77 C#Cc1ccccc1C(=O)CF 1458a_100011243808_100015361967 [0,2,0,0,0,0|1,0,1]=4 6456 B12R1.77 C#Cc1ccccc1C(=O)NC 527a_100102657272_100011243808 [0,2,0,0,0,0|1,0,1]=4 6457 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [0,2,0,0,0,0|1,0,1]=4 6458 B12R1.77 C=Cc1ccccc1C(=O)CF 1458a_100011830265_100015361967 [0,2,0,0,0,0|1,0,1]=4 6459 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [0,2,0,0,0,0|1,0,1]=4 6460 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [0,2,0,0,0,0|1,0,1]=4 6461 B12R1.77 C=Cc1ccccc1C(=O)NN 271570a_100011290941_100000190081 [0,2,0,0,0,0|1,0,1]=4 6462 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [0,2,0,0,0,0|1,0,0]=3 6463 B12R1.77 C=Cc1ccccc1C(C)C#N 271570a_100011290941_200010232107 [0,2,0,0,0,0|2,0,0]=4 6464 B12R1.77 C=Cc1ccccc1C(C)NC 271570a_100011290941_100000692418 [0,2,0,0,0,0|2,0,0]=4 6465 B12R1.77 C=Cc1ccccc1C(O)CN 271570a_100011290941_100011236429 [0,2,0,0,0,0|2,0,0]=4 6466 B12R1.77 C=Cc1ccccc1[C@H](N)CO 271570a_100011290941_100161155918 [0,2,0,0,0,0|2,0,0]=4 6467 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [0,2,0,0,0,0|2,0,0]=4 6468 B12R1.77 C=Cc1cccnc1[C@H](C)OC 271570a_100011290941_106256553109 [0,2,0,0,0,0|2,0,0]=4 6469 B12R1.77 C=Cc1ccncc1C(=O)OC 271570a_100011290941_100020629055 [0,2,0,0,0,0|2,0,0]=4 6470 B12R1.77 C=Cc1cnccc1C(=O)OC 271570a_100011290941_100010008606 [0,2,0,0,0,0|2,0,0]=4 6471 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [0,2,0,0,0,0|2,0,0]=4 6472 B12R1.77 CC(=NO)c1ccccc1O[13CH3] 34a_100000164216_200025704644 [0,2,0,0,0,0|0,0,1]=3 6473 B12R1.77 CCC(=O)c1ccccc1C#N 1458a_100000742908_100000210202 [0,2,0,0,0,0|2,0,0]=4 6474 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,2,0,0,0,0|1,0,0]=3 6475 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [0,2,0,0,0,0|2,0,0]=4 6476 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [0,2,0,0,0,0|2,0,0]=4 6477 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,2,0,0,0,0|0,0,0]=2 6478 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,2,0,0,0,0|0,0,0]=2 6479 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,2,0,0,0,0|0,0,0]=2 6480 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,2,0,0,0,0|0,1,0]=3 6481 B12R1.77 CCC(C)c1ccccc1OC 7a_100000211618_200000210301 [0,2,0,0,0,0|1,0,1]=4 6482 B12R1.77 CCC(C)c1ccccc1O[13CH3] 7a_100000211618_200025704644 [0,2,0,0,0,0|1,0,1]=4 6483 B12R1.77 CCN(C)c1ccccc1OC 2230a_100000219746_100000210202 [0,2,0,0,0,0|1,0,1]=4 6484 B12R1.77 CCN(C)c1ccccc1OC 2230a_100020603010_200000210301 [0,2,0,0,0,0|1,0,1]=4 6485 B12R1.77 CCN(C)c1ccccc1OC 269982a_100000219746_100000204670 [0,2,0,0,0,0|1,0,1]=4 6486 B12R1.77 CCN(C)c1ccccc1OC 269982a_100020603010_200000210301 [0,2,0,0,0,0|1,0,1]=4 6487 B12R1.77 CCN(C)c1ccccc1OC 34a_100000219746_100000210202 [0,2,0,0,0,0|1,0,1]=4 6488 B12R1.77 CCN([13CH3])c1ccccc1OC 2230a_100020603010_200025704644 [0,2,0,0,0,0|1,0,1]=4 6489 B12R1.77 CCN([13CH3])c1ccccc1OC 269982a_100020603010_200025704644 [0,2,0,0,0,0|1,0,1]=4 6490 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [0,2,0,0,0,0|1,0,0]=3 6491 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [0,2,0,0,0,0|1,0,0]=3 6492 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [0,2,0,0,0,0|1,0,0]=3 6493 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [0,2,0,0,0,0|1,0,0]=3 6494 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [0,2,0,0,0,0|1,0,0]=3 6495 B12R1.77 CNC(=O)c1ccccc1C#N 11a_106832991635_100000742908 [0,2,0,0,0,0|2,0,0]=4 6496 B12R1.77 CNC(=O)c1ccccc1C#N 1626a_100102657272_100000742908 [0,2,0,0,0,0|2,0,0]=4 6497 B12R1.77 CNC(=O)c1ccccc1C#N 527a_100102657272_100000742908 [0,2,0,0,0,0|2,0,0]=4 6498 B12R1.77 CNC(=O)c1ccccc1I=O 1626a_100102657272_100000032414 [0,2,0,0,0,0|2,0,0]=4 6499 B12R1.77 CNC(=O)c1ccccc1I=O 240690a_100102657272_100000032414 [0,2,0,0,0,0|2,0,0]=4 6500 B12R1.77 CNC(=O)c1ccccc1I=O 527a_100102657272_100000032414 [0,2,0,0,0,0|2,0,0]=4 6501 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [0,2,0,0,0,0|1,0,0]=3 6502 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [0,2,0,0,0,0|1,0,0]=3 6503 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [0,2,0,0,0,0|1,0,0]=3 6504 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,2,0,0,0,0|0,0,0]=2 6505 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,2,0,0,0,0|0,0,0]=2 6506 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,2,0,0,0,0|0,0,0]=2 6507 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,2,0,0,0,0|0,0,0]=2 6508 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,2,0,0,0,0|0,0,0]=2 6509 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,2,0,0,0,0|0,0,0]=2 6510 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,2,0,0,0,0|0,0,0]=2 6511 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,2,0,0,0,0|0,0,0]=2 6512 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [0,2,0,0,0,0|0,1,0]=3 6513 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [0,2,0,0,0,0|0,1,0]=3 6514 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [0,2,0,0,0,0|0,1,0]=3 6515 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [0,2,0,0,0,0|0,1,0]=3 6516 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [0,2,0,0,0,0|0,1,0]=3 6517 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [0,2,0,0,0,0|0,1,0]=3 6518 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [0,2,0,0,0,0|0,1,0]=3 6519 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [0,2,0,0,0,0|0,1,0]=3 6520 B12R1.77 CNC(=O)c1cccnc1NC 27a_100102657272_100000159833 [0,2,0,0,0,0|2,0,0]=4 6521 B12R1.77 CNC(=O)c1cccnc1SC 62a_100000159833_200000210301 [0,2,0,0,0,0|1,1,0]=4 6522 B12R1.77 CNC(=O)c1cccnc1SC 62a_200000210301_100000159833 [0,2,0,0,0,0|1,1,0]=4 6523 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_100000159833_200025704644 [0,2,0,0,0,0|1,1,0]=4 6524 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159833 [0,2,0,0,0,0|1,1,0]=4 6525 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [0,2,0,0,0,0|1,0,0]=3 6526 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [0,2,0,0,0,0|1,0,0]=3 6527 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [0,2,0,0,0,0|1,0,0]=3 6528 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [0,2,0,0,0,0|1,0,0]=3 6529 B12R1.77 CNC(C)c1ccccc1OC 2230a_100000185323_200000210301 [0,2,0,0,0,0|1,0,1]=4 6530 B12R1.77 CNC(C)c1ccccc1OC 269862a_106832991636_100000173324 [0,2,0,0,0,0|1,0,1]=4 6531 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [0,2,0,0,0,0|2,0,0]=4 6532 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,2,0,0,0,0|0,0,0]=2 6533 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,2,0,0,0,0|0,0,0]=2 6534 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,2,0,0,0,0|0,1,0]=3 6535 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,2,0,0,0,0|0,1,0]=3 6536 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,2,0,0,0,0|0,1,0]=3 6537 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,2,0,0,0,0|0,1,0]=3 6538 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [0,2,0,0,0,0|1,1,0]=4 6539 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [0,2,0,0,0,0|1,1,0]=4 6540 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [0,2,0,0,0,0|1,1,0]=4 6541 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [0,2,0,0,0,0|1,1,0]=4 6542 B12R1.77 COC(=O)c1ccncc1SC 62a_100010008606_200000210301 [0,2,0,0,0,0|1,1,0]=4 6543 B12R1.77 COC(=O)c1ccncc1SC 62a_200000210301_100010008606 [0,2,0,0,0,0|1,1,0]=4 6544 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_100010008606_200025704644 [0,2,0,0,0,0|1,1,0]=4 6545 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010008606 [0,2,0,0,0,0|1,1,0]=4 6546 B12R1.77 COC(=O)c1cnccc1SC 62a_100020629055_200000210301 [0,2,0,0,0,0|1,1,0]=4 6547 B12R1.77 COC(=O)c1cnccc1SC 62a_200000210301_100020629055 [0,2,0,0,0,0|1,1,0]=4 6548 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_100020629055_200025704644 [0,2,0,0,0,0|1,1,0]=4 6549 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_200025704644_100020629055 [0,2,0,0,0,0|1,1,0]=4 6550 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [0,2,0,0,0,0|1,0,0]=3 6551 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [0,2,0,0,0,0|1,0,0]=3 6552 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [0,2,0,0,0,0|1,0,0]=3 6553 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [0,2,0,0,0,0|1,0,0]=3 6554 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [0,2,0,0,0,0|1,1,0]=4 6555 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [0,2,0,0,0,0|1,1,0]=4 6556 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [0,2,0,0,0,0|1,1,0]=4 6557 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [0,2,0,0,0,0|1,1,0]=4 6558 B12R1.77 COc1ccccc1C(=NO)C 34a_100000164216_200000210301 [0,2,0,0,0,0|0,0,1]=3 6559 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,2,0,0,0,0|0,0,0]=2 6560 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,2,0,0,0,0|0,0,0]=2 6561 B12R1.77 COc1ccccc1C(=O)NN 34a_100000186518_200000210301 [0,2,0,0,0,0|0,0,0]=2 6562 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [0,2,0,0,0,0|0,0,0]=2 6563 B12R1.77 COc1ccccc1C(C)N[13CH3] 2230a_100000185323_200025704644 [0,2,0,0,0,0|1,0,1]=4 6564 B12R1.77 COc1ccccc1C(C)OC 7a_100000742714_200000210301 [0,2,0,0,0,0|0,0,2]=4 6565 B12R1.77 COc1ccccc1C(C)O[13CH3] 7a_100000742714_200025704644 [0,2,0,0,0,0|0,0,2]=4 6566 B12R1.77 COc1ccccc1N(C)CF 269982a_100000219746_100015361967 [0,2,0,0,0,0|1,0,1]=4 6567 B12R1.77 COc1ccccc1N(C)CF 34a_100000219746_100015361967 [0,2,0,0,0,0|1,0,1]=4 6568 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [0,2,0,0,0,0|0,1,0]=3 6569 B12R1.77 CSc1ccccc1C(=O)NN 62a_100000190081_200000210301 [0,2,0,0,0,0|0,1,0]=3 6570 B12R1.77 CSc1ccccc1C(=O)NN 62a_200000210301_100000190081 [0,2,0,0,0,0|0,1,0]=3 6571 B12R1.77 CSc1ccccc1C(=O)O[Na] 62a_200000210301_114855342371 [0,2,0,0,0,0|0,1,0]=3 6572 B12R1.77 N#Cc1ccccc1C(=O)CF 1458a_100000742908_100015361967 [0,2,0,0,0,0|2,0,0]=4 6573 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [0,2,0,0,0,0|2,0,0]=4 6574 B12R1.77 O=Ic1ccccc1C(=O)CF 1458a_100000032414_100015361967 [0,2,0,0,0,0|2,0,0]=4 6575 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,2,0,0,0,0|0,0,0]=2 6576 B12R1.77 [13CH3]Oc1ccccc1C(=O)NN 34a_100000186518_200025704644 [0,2,0,0,0,0|0,0,0]=2 6577 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [0,2,0,0,0,0|0,0,0]=2 6578 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_100000190081_200025704644 [0,2,0,0,0,0|0,1,0]=3 6579 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_200025704644_100000190081 [0,2,0,0,0,0|0,1,0]=3 6580 B12R1.77 [13CH3]Sc1ccccc1C(=O)O[Na] 62a_200025704644_114855342371 [0,2,0,0,0,0|0,1,0]=3 6581 B12R1.121 C#CCNc1ccccc1C=C 34a_100012022501_100000184674 [0,2,0,0,0,0|2,0,0]=4 6582 B12R1.121 C#CCNc1ccccc1OC 34a_100000210025_100000184674 [0,2,0,0,0,0|1,0,1]=4 6583 B12R1.121 C#CCOc1ccccc1C#C 34a_200011470546_100000184674 [0,2,0,0,0,0|1,0,1]=4 6584 B12R1.121 C#CCOc1ccccc1C#C 7a_200011470546_100000038162 [0,2,0,0,0,0|1,0,1]=4 6585 B12R1.121 C#CCOc1ccccc1C#N 34a_100000211048_100000184674 [0,2,0,0,0,0|1,0,1]=4 6586 B12R1.121 C#CCOc1ccccc1C#N 7a_100000211048_100000038162 [0,2,0,0,0,0|1,0,1]=4 6587 B12R1.121 C#CCOc1ccccc1CC 34a_100000210936_100000184674 [0,2,0,0,0,0|1,0,1]=4 6588 B12R1.121 C#CCOc1ccccc1CC 7a_100000210936_100000038162 [0,2,0,0,0,0|1,0,1]=4 6589 B12R1.121 C#CCOc1ccccc1CN 34a_100000185550_100000184674 [0,2,0,0,0,0|1,0,1]=4 6590 B12R1.121 C#CCOc1ccccc1CO 34a_100011216872_100000184674 [0,2,0,0,0,0|0,0,2]=4 6591 B12R1.121 C#CCOc1ccccc1NC 34a_100000033821_100000184674 [0,2,0,0,0,0|2,0,0]=4 6592 B12R1.121 C#CCOc1ccccc1NC 34a_100000707309_200000210301 [0,2,0,0,0,0|2,0,0]=4 6593 B12R1.121 C#CCOc1ccccc1N[13CH3] 34a_100000707309_200025704644 [0,2,0,0,0,0|2,0,0]=4 6594 B12R1.121 C#CCOc1ccccc1OC 34a_100000210385_100000184674 [0,2,0,0,0,0|1,0,1]=4 6595 B12R1.121 C#CCOc1ccccc1SC 34a_100011216402_100000184674 [0,2,0,0,0,0|2,0,0]=4 6596 B12R1.121 C#CCSc1ccccc1C=C 62a_100000038162_100011218376 [0,2,0,0,0,0|1,1,0]=4 6597 B12R1.121 C#CCSc1ccccc1C=O 62a_100000038162_100000210073 [0,2,0,0,0,0|0,1,0]=3 6598 B12R1.121 C#CCSc1ccccc1OC 62a_100000038162_100000210334 [0,2,0,0,0,0|1,0,1]=4 6599 B12R1.121 C#CCSc1cccnc1C=O 62a_100000038162_100011934733 [0,2,0,0,0,0|1,1,0]=4 6600 B12R1.121 C#CCSc1ccncc1C=O 62a_100000038162_100000050567 [0,2,0,0,0,0|1,1,0]=4 6601 B12R1.121 C#CCSc1cnccc1C=O 62a_100000038162_100011934409 [0,2,0,0,0,0|1,1,0]=4 6602 B12R1.121 C#CCSc1ncccc1C=O 62a_100000038162_100009816751 [0,2,0,0,0,0|1,1,0]=4 6603 B12R1.121 C#Cc1ccccc1COCC 34a_100000054652_100000210202 [0,2,0,0,0,0|1,0,1]=4 6604 B12R1.121 C#Cc1ccccc1COCC 7a_100000054652_100000210202 [0,2,0,0,0,0|1,0,1]=4 6605 B12R1.121 C#Cc1ccccc1COCF 34a_100000054652_100015361967 [0,2,0,0,0,0|1,0,1]=4 6606 B12R1.121 C#Cc1ccccc1COCF 7a_100000054652_100015361967 [0,2,0,0,0,0|1,0,1]=4 6607 B12R1.121 C#Cc1ccccc1NCC=O 34a_100011470550_200009817547 [0,2,0,0,0,0|1,0,1]=4 6608 B12R1.121 C#Cc1ccccc1OCC#N 7a_200011470546_100011215382 [0,2,0,0,0,0|1,0,1]=4 6609 B12R1.121 C#Cc1ccccc1OCC=C 34a_200011470546_100015514636 [0,2,0,0,0,0|1,0,1]=4 6610 B12R1.121 C#Cc1ccccc1OCC=C 7a_200011470546_100015514636 [0,2,0,0,0,0|1,0,1]=4 6611 B12R1.121 C#Cc1ccccc1OCC=O 34a_200011470546_200009817547 [0,2,0,0,0,0|1,0,1]=4 6612 B12R1.121 C#Cc1ccccc1OCC=O 7a_200011470546_200015260668 [0,2,0,0,0,0|1,0,1]=4 6613 B12R1.121 C#Cc1ccccc1OCCC 34a_200011470546_100000210303 [0,2,0,0,0,0|1,0,1]=4 6614 B12R1.121 C#Cc1ccccc1OCCC 7a_200011470546_100000210303 [0,2,0,0,0,0|1,0,1]=4 6615 B12R1.121 C#Cc1ccccc1OCCF 34a_200011470546_100011217306 [0,2,0,0,0,0|1,0,1]=4 6616 B12R1.121 C#Cc1ccccc1OCCF 7a_200011470546_100011217306 [0,2,0,0,0,0|1,0,1]=4 6617 B12R1.121 C#Cc1ccccc1OCCO 34a_200011470546_100000211926 [0,2,0,0,0,0|1,0,1]=4 6618 B12R1.121 C#Cc1ccccc1OCCO 7a_200011470546_100000211926 [0,2,0,0,0,0|1,0,1]=4 6619 B12R1.121 C#Cc1ccccc1OCSC 34a_200011470546_100011218213 [0,2,0,0,0,0|1,0,1]=4 6620 B12R1.121 C=CCNc1ccccc1C=C 34a_100012022501_100015514636 [0,2,0,0,0,0|2,0,0]=4 6621 B12R1.121 C=CCNc1ccccc1CC 2230a_100000212081_100000210623 [0,2,0,0,0,0|2,0,0]=4 6622 B12R1.121 C=CCNc1ccccc1CC 34a_100000212081_100015514636 [0,2,0,0,0,0|2,0,0]=4 6623 B12R1.121 C=CCNc1ccccc1CC 7a_100000212081_100015514636 [0,2,0,0,0,0|2,0,0]=4 6624 B12R1.121 C=CCNc1ccccc1OC 34a_100000210025_100015514636 [0,2,0,0,0,0|1,0,0]=3 6625 B12R1.121 C=CCNc1ccccc1SC 34a_100000211160_100015514636 [0,2,0,0,0,0|1,1,0]=4 6626 B12R1.121 C=CCOc1ccccc1C#N 34a_100000211048_100015514636 [0,2,0,0,0,0|1,0,1]=4 6627 B12R1.121 C=CCOc1ccccc1C#N 7a_100000211048_100015514636 [0,2,0,0,0,0|1,0,1]=4 6628 B12R1.121 C=CCOc1ccccc1CC 34a_100000210936_100015514636 [0,2,0,0,0,0|1,0,1]=4 6629 B12R1.121 C=CCOc1ccccc1CC 7a_100000210936_100015514636 [0,2,0,0,0,0|1,0,1]=4 6630 B12R1.121 C=CCOc1ccccc1CN 34a_100000185550_100015514636 [0,2,0,0,0,0|1,0,1]=4 6631 B12R1.121 C=CCOc1ccccc1CO 34a_100011216872_100015514636 [0,2,0,0,0,0|0,0,2]=4 6632 B12R1.121 C=CCOc1ccccc1NC 34a_100000033821_100015514636 [0,2,0,0,0,0|2,0,0]=4 6633 B12R1.121 C=CCOc1ccccc1OC 34a_100000210385_100015514636 [0,2,0,0,0,0|1,0,0]=3 6634 B12R1.121 C=CCOc1ccccc1OC 34a_200011262142_200000210301 [0,2,0,0,0,0|1,0,0]=3 6635 B12R1.121 C=CCOc1ccccc1OC 7a_200011262142_200000210301 [0,2,0,0,0,0|1,0,0]=3 6636 B12R1.121 C=CCOc1ccccc1O[13CH3] 34a_200011262142_200025704644 [0,2,0,0,0,0|1,0,0]=3 6637 B12R1.121 C=CCOc1ccccc1O[13CH3] 7a_200011262142_200025704644 [0,2,0,0,0,0|1,0,0]=3 6638 B12R1.121 C=CCOc1ccccc1SC 34a_100011216402_100015514636 [0,2,0,0,0,0|1,1,0]=4 6639 B12R1.121 C=CCOc1cccnc1OC 34a_100000698397_100015514636 [0,2,0,0,0,0|2,0,0]=4 6640 B12R1.121 C=CCOc1cccnc1OC 7a_100000698397_100015514636 [0,2,0,0,0,0|2,0,0]=4 6641 B12R1.121 C=CCOc1cnccc1OC 34a_100000101186_100015514636 [0,2,0,0,0,0|2,0,0]=4 6642 B12R1.121 C=CCOc1ncccc1OC 34a_100025773188_100015514636 [0,2,0,0,0,0|2,0,0]=4 6643 B12R1.121 C=CCSc1ccccc1C=C 62a_100000210623_100011218376 [0,2,0,0,0,0|1,1,0]=4 6644 B12R1.121 C=CCSc1ccccc1C=C 62a_100011218376_100000210623 [0,2,0,0,0,0|1,1,0]=4 6645 B12R1.121 C=CCSc1ccccc1C=O 62a_100000210073_100000210623 [0,2,0,0,0,0|0,1,0]=3 6646 B12R1.121 C=CCSc1ccccc1C=O 62a_100000210623_100000210073 [0,2,0,0,0,0|0,1,0]=3 6647 B12R1.121 C=CCSc1ccccc1CC 62a_100000210623_100011215823 [0,2,0,0,0,0|2,0,0]=4 6648 B12R1.121 C=CCSc1ccccc1CC 62a_100011215823_100000210623 [0,2,0,0,0,0|2,0,0]=4 6649 B12R1.121 C=CCSc1ccccc1NC 2230a_100000198565_200000210301 [0,2,0,0,0,0|2,0,0]=4 6650 B12R1.121 C=CCSc1ccccc1NC 62a_100000210623_100020606079 [0,2,0,0,0,0|2,0,0]=4 6651 B12R1.121 C=CCSc1ccccc1NC 62a_100020606079_100000210623 [0,2,0,0,0,0|2,0,0]=4 6652 B12R1.121 C=CCSc1ccccc1NC 7a_100000198565_200000210301 [0,2,0,0,0,0|2,0,0]=4 6653 B12R1.121 C=CCSc1ccccc1N[13CH3] 2230a_100000198565_200025704644 [0,2,0,0,0,0|2,0,0]=4 6654 B12R1.121 C=CCSc1ccccc1N[13CH3] 7a_100000198565_200025704644 [0,2,0,0,0,0|2,0,0]=4 6655 B12R1.121 C=CCSc1ccccc1OC 62a_100000210334_100000210623 [0,2,0,0,0,0|1,0,0]=3 6656 B12R1.121 C=CCSc1ccccc1OC 62a_100000210623_100000210334 [0,2,0,0,0,0|1,0,0]=3 6657 B12R1.121 C=CCSc1ccccc1SC 62a_100000210623_100011217816 [0,2,0,0,0,0|1,1,0]=4 6658 B12R1.121 C=CCSc1ccccc1SC 62a_100011217816_100000210623 [0,2,0,0,0,0|1,1,0]=4 6659 B12R1.121 C=CCSc1cccnc1C=O 62a_100000210623_100011934733 [0,2,0,0,0,0|1,1,0]=4 6660 B12R1.121 C=CCSc1cccnc1C=O 62a_100011934733_100000210623 [0,2,0,0,0,0|1,1,0]=4 6661 B12R1.121 C=CCSc1cccnc1OC 62a_100000047025_100000210623 [0,2,0,0,0,0|2,0,0]=4 6662 B12R1.121 C=CCSc1cccnc1OC 62a_100000210623_100000047025 [0,2,0,0,0,0|2,0,0]=4 6663 B12R1.121 C=CCSc1ccncc1C=O 62a_100000050567_100000210623 [0,2,0,0,0,0|1,1,0]=4 6664 B12R1.121 C=CCSc1ccncc1C=O 62a_100000210623_100000050567 [0,2,0,0,0,0|1,1,0]=4 6665 B12R1.121 C=CCSc1ccncc1OC 62a_100000210623_100016988167 [0,2,0,0,0,0|2,0,0]=4 6666 B12R1.121 C=CCSc1ccncc1OC 62a_100016988167_100000210623 [0,2,0,0,0,0|2,0,0]=4 6667 B12R1.121 C=CCSc1cnccc1C=O 62a_100000210623_100011934409 [0,2,0,0,0,0|1,1,0]=4 6668 B12R1.121 C=CCSc1cnccc1C=O 62a_100011934409_100000210623 [0,2,0,0,0,0|1,1,0]=4 6669 B12R1.121 C=CCSc1cnccc1OC 62a_100000210623_100011997281 [0,2,0,0,0,0|2,0,0]=4 6670 B12R1.121 C=CCSc1cnccc1OC 62a_100011997281_100000210623 [0,2,0,0,0,0|2,0,0]=4 6671 B12R1.121 C=CCSc1ncccc1C=O 62a_100000210623_100009816751 [0,2,0,0,0,0|1,1,0]=4 6672 B12R1.121 C=CCSc1ncccc1C=O 62a_100009816751_100000210623 [0,2,0,0,0,0|1,1,0]=4 6673 B12R1.121 C=CCSc1ncccc1OC 62a_100000210623_100000690851 [0,2,0,0,0,0|2,0,0]=4 6674 B12R1.121 C=CCSc1ncccc1OC 62a_100000767102_100000210623 [0,2,0,0,0,0|2,0,0]=4 6675 B12R1.121 C=Cc1ccccc1C#CCO 271570a_100011290941_100009814404 [0,2,0,0,0,0|2,0,0]=4 6676 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,2,0,0,0,0|1,0,1]=4 6677 B12R1.121 C=Cc1ccccc1CCCO 271570a_100011290941_100000699526 [0,2,0,0,0,0|2,0,0]=4 6678 B12R1.121 C=Cc1ccccc1COCC 271570a_100011290941_200011493690 [0,2,0,0,0,0|1,0,0]=3 6679 B12R1.121 C=Cc1ccccc1COCC 34a_200010883148_100000210202 [0,2,0,0,0,0|1,0,0]=3 6680 B12R1.121 C=Cc1ccccc1COCC 7a_200010883148_100000210202 [0,2,0,0,0,0|1,0,0]=3 6681 B12R1.121 C=Cc1ccccc1COCF 34a_200010883148_100015361967 [0,2,0,0,0,0|1,0,0]=3 6682 B12R1.121 C=Cc1ccccc1COCF 7a_200010883148_100015361967 [0,2,0,0,0,0|1,0,0]=3 6683 B12R1.121 C=Cc1ccccc1CSCC 271570a_100011290941_200000173030 [0,2,0,0,0,0|1,1,0]=4 6684 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [0,2,0,0,0,0|1,0,1]=4 6685 B12R1.121 C=Cc1ccccc1NCCC 34a_100012022501_100000210303 [0,2,0,0,0,0|2,0,0]=4 6686 B12R1.121 C=Cc1ccccc1NCCF 34a_100012022501_100011217306 [0,2,0,0,0,0|2,0,0]=4 6687 B12R1.121 C=Cc1ccccc1NCCO 34a_100012022501_100000211926 [0,2,0,0,0,0|2,0,0]=4 6688 B12R1.121 C=Cc1ccccc1NCSC 34a_100012022501_100011218213 [0,2,0,0,0,0|1,1,0]=4 6689 B12R1.121 C=Cc1ccccc1OCC#N 271570a_100011290941_200000173881 [0,2,0,0,0,0|1,0,0]=3 6690 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [0,2,0,0,0,0|1,0,0]=3 6691 B12R1.121 C=Cc1ccccc1OCCN 271570a_100011290941_100000744007 [0,2,0,0,0,0|1,0,0]=3 6692 B12R1.121 C=Cc1ccccc1OCCO 271570a_100011290941_100000230753 [0,2,0,0,0,0|1,0,0]=3 6693 B12R1.121 C=Cc1ccccc1OCOC 271570a_100011290941_200000230759 [0,2,0,0,0,0|1,0,0]=3 6694 B12R1.121 C=Cc1ccccc1SCC#N 62a_100011215382_100011218376 [0,2,0,0,0,0|1,1,0]=4 6695 B12R1.121 C=Cc1ccccc1SCC#N 62a_100011218376_100011215382 [0,2,0,0,0,0|1,1,0]=4 6696 B12R1.121 C=Cc1ccccc1SCC=O 62a_100011218376_200015260668 [0,2,0,0,0,0|1,0,1]=4 6697 B12R1.121 C=Cc1ccccc1SCC=O 62a_200015260668_100011218376 [0,2,0,0,0,0|1,0,1]=4 6698 B12R1.121 C=Cc1ccccc1SCCC 62a_100000210303_100011218376 [0,2,0,0,0,0|1,1,0]=4 6699 B12R1.121 C=Cc1ccccc1SCCC 62a_100011218376_100000210303 [0,2,0,0,0,0|1,1,0]=4 6700 B12R1.121 C=Cc1ccccc1SCCF 62a_100011217306_100011218376 [0,2,0,0,0,0|1,1,0]=4 6701 B12R1.121 C=Cc1ccccc1SCCF 62a_100011218376_100011217306 [0,2,0,0,0,0|1,1,0]=4 6702 B12R1.121 C=Cc1ccccc1SCCO 271570a_100011290941_200000230852 [0,2,0,0,0,0|1,1,0]=4 6703 B12R1.121 C=Cc1ccccc1SCCO 62a_100000211926_100011218376 [0,2,0,0,0,0|1,1,0]=4 6704 B12R1.121 C=Cc1ccccc1SCCO 62a_100011218376_100000211926 [0,2,0,0,0,0|1,1,0]=4 6705 B12R1.121 C=Cc1ccccc1SCOC 62a_100000766300_100011218376 [0,2,0,0,0,0|1,0,0]=3 6706 B12R1.121 C=Cc1ccccc1SCOC 62a_100011218376_100000766300 [0,2,0,0,0,0|1,0,0]=3 6707 B12R1.121 C=Cc1ccccc1SCSC 62a_100011218213_100011218376 [0,2,0,0,0,0|1,1,0]=4 6708 B12R1.121 C=Cc1ccccc1SCSC 62a_100011218376_100011218213 [0,2,0,0,0,0|1,1,0]=4 6709 B12R1.121 C=Cc1cccnc1OCCC 271570a_100011290941_200011465209 [0,2,0,0,0,0|2,0,0]=4 6710 B12R1.121 C=Cc1ncccc1OCCF 271570a_100011290941_100012814765 [0,2,0,0,0,0|2,0,0]=4 6711 B12R1.121 C=Cc1ncccc1OCOC 271570a_100011290941_100011935308 [0,2,0,0,0,0|2,0,0]=4 6712 B12R1.121 CC=NNc1ccccc1CC 4a_100000737054_200000210099 [0,2,0,0,0,0|2,0,0]=4 6713 B12R1.121 CC=NNc1ccccc1OC 4a_100000751209_200000210099 [0,2,0,0,0,0|1,0,0]=3 6714 B12R1.121 CC=NNc1cccnc1OC 4a_100159270702_200000210099 [0,2,0,0,0,0|2,0,0]=4 6715 B12R1.121 CC=NNc1ncccc1OC 4a_100012020716_200000210099 [0,2,0,0,0,0|2,0,0]=4 6716 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [0,2,0,0,0,0|1,0,0]=3 6717 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [0,2,0,0,0,0|1,0,1]=4 6718 B12R1.121 CCCCc1cccnc1C=O 271570a_100020621405_100011934733 [0,2,0,0,0,0|2,0,0]=4 6719 B12R1.121 CCCCc1ccncc1C=O 271570a_100020621405_100000050567 [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.121 CCCCc1cnccc1C=O 271570a_100020621405_100011934409 [0,2,0,0,0,0|2,0,0]=4 6721 B12R1.121 CCCCc1ncccc1C=O 271570a_100020621405_100009816751 [0,2,0,0,0,0|2,0,0]=4 6722 B12R1.121 CCCNc1ccccc1OC 34a_100000210025_100000210303 [0,2,0,0,0,0|1,0,1]=4 6723 B12R1.121 CCCOc1ccccc1C#N 34a_100000211048_100000210303 [0,2,0,0,0,0|1,0,1]=4 6724 B12R1.121 CCCOc1ccccc1C#N 7a_100000211048_100000210303 [0,2,0,0,0,0|1,0,1]=4 6725 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [0,2,0,0,0,0|1,0,1]=4 6726 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [0,2,0,0,0,0|1,0,1]=4 6727 B12R1.121 CCCOc1ccccc1CN 34a_100000185550_100000210303 [0,2,0,0,0,0|1,0,1]=4 6728 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [0,2,0,0,0,0|0,0,2]=4 6729 B12R1.121 CCCOc1ccccc1NC 27a_100102657272_100000174042 [0,2,0,0,0,0|2,0,0]=4 6730 B12R1.121 CCCOc1ccccc1NC 34a_100000033821_100000210303 [0,2,0,0,0,0|2,0,0]=4 6731 B12R1.121 CCCOc1ccccc1NC 34a_100000683936_200000210301 [0,2,0,0,0,0|2,0,0]=4 6732 B12R1.121 CCCOc1ccccc1N[13CH3] 34a_100000683936_200025704644 [0,2,0,0,0,0|2,0,0]=4 6733 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [0,2,0,0,0,0|1,0,1]=4 6734 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [0,2,0,0,0,0|1,0,1]=4 6735 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [0,2,0,0,0,0|1,0,1]=4 6736 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [0,2,0,0,0,0|1,0,1]=4 6737 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [0,2,0,0,0,0|1,0,1]=4 6738 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [0,2,0,0,0,0|2,0,0]=4 6739 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [0,2,0,0,0,0|2,0,0]=4 6740 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [0,2,0,0,0,0|2,0,0]=4 6741 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [0,2,0,0,0,0|2,0,0]=4 6742 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [0,2,0,0,0,0|2,0,0]=4 6743 B12R1.121 CCCSc1ccccc1C=O 62a_100000210073_100000210303 [0,2,0,0,0,0|0,1,0]=3 6744 B12R1.121 CCCSc1ccccc1C=O 62a_100000210303_100000210073 [0,2,0,0,0,0|0,1,0]=3 6745 B12R1.121 CCCSc1ccccc1OC 62a_100000210303_100000210334 [0,2,0,0,0,0|1,0,1]=4 6746 B12R1.121 CCCSc1ccccc1OC 62a_100000210334_100000210303 [0,2,0,0,0,0|1,0,1]=4 6747 B12R1.121 CCCSc1cccnc1C=O 62a_100000210303_100011934733 [0,2,0,0,0,0|1,1,0]=4 6748 B12R1.121 CCCSc1cccnc1C=O 62a_100011934733_100000210303 [0,2,0,0,0,0|1,1,0]=4 6749 B12R1.121 CCCSc1ccncc1C=O 62a_100000050567_100000210303 [0,2,0,0,0,0|1,1,0]=4 6750 B12R1.121 CCCSc1ccncc1C=O 62a_100000210303_100000050567 [0,2,0,0,0,0|1,1,0]=4 6751 B12R1.121 CCCSc1cnccc1C=O 62a_100000210303_100011934409 [0,2,0,0,0,0|1,1,0]=4 6752 B12R1.121 CCCSc1cnccc1C=O 62a_100011934409_100000210303 [0,2,0,0,0,0|1,1,0]=4 6753 B12R1.121 CCCSc1ncccc1C=O 62a_100000210303_100009816751 [0,2,0,0,0,0|1,1,0]=4 6754 B12R1.121 CCCSc1ncccc1C=O 62a_100009816751_100000210303 [0,2,0,0,0,0|1,1,0]=4 6755 B12R1.121 CCNCc1ccccc1C=O 2230a_100015525214_200009853537 [0,2,0,0,0,0|1,0,0]=3 6756 B12R1.121 CCNCc1ccccc1OC 207a_100015525214_100000169842 [0,2,0,0,0,0|1,0,1]=4 6757 B12R1.121 CCNCc1ccccc1OC 2230a_100015525214_100000210004 [0,2,0,0,0,0|1,0,1]=4 6758 B12R1.121 CCNCc1ccccc1OC 270004a_100015525214_100000169842 [0,2,0,0,0,0|1,0,1]=4 6759 B12R1.121 CCNCc1ccccc1OC 34a_100000188900_100000210202 [0,2,0,0,0,0|1,0,1]=4 6760 B12R1.121 CCOCc1ccccc1C#N 34a_100121572206_100000181865 [0,2,0,0,0,0|1,0,1]=4 6761 B12R1.121 CCOCc1ccccc1C#N 34a_200011269968_100000210202 [0,2,0,0,0,0|1,0,1]=4 6762 B12R1.121 CCOCc1ccccc1C#N 7a_200011269968_100000210202 [0,2,0,0,0,0|1,0,1]=4 6763 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [0,2,0,0,0,0|0,0,0]=2 6764 B12R1.121 CCOCc1ccccc1CBr 34a_100009816955_100000210202 [0,2,0,0,0,0|1,0,1]=4 6765 B12R1.121 CCOCc1ccccc1CBr 7a_100009816955_100000210202 [0,2,0,0,0,0|1,0,1]=4 6766 B12R1.121 CCOCc1ccccc1CC 34a_100011663872_100000210202 [0,2,0,0,0,0|1,0,1]=4 6767 B12R1.121 CCOCc1ccccc1CC 7a_100011663872_100000210202 [0,2,0,0,0,0|1,0,1]=4 6768 B12R1.121 CCOCc1ccccc1CN 34a_100000743596_100000210202 [0,2,0,0,0,0|1,0,1]=4 6769 B12R1.121 CCOCc1ccccc1CO 34a_100121572206_100009816955 [0,2,0,0,0,0|0,0,2]=4 6770 B12R1.121 CCOCc1ccccc1OC 34a_100000211301_100000210202 [0,2,0,0,0,0|0,0,2]=4 6771 B12R1.121 CCOCc1ccccc1OC 34a_100121572206_100000210004 [0,2,0,0,0,0|0,0,2]=4 6772 B12R1.121 CCOCc1ccccc1SC 34a_100000699167_100000210202 [0,2,0,0,0,0|2,0,0]=4 6773 B12R1.121 CCOCc1ccccc1SC 34a_100121572206_100000699184 [0,2,0,0,0,0|2,0,0]=4 6774 B12R1.121 CCOCc1ccccc1SC 62a_200000210301_200011493690 [0,2,0,0,0,0|2,0,0]=4 6775 B12R1.121 CCOCc1ccccc1SC 62a_200011493690_200000210301 [0,2,0,0,0,0|2,0,0]=4 6776 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200011493690_200025704644 [0,2,0,0,0,0|2,0,0]=4 6777 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200025704644_200011493690 [0,2,0,0,0,0|2,0,0]=4 6778 B12R1.121 CCSCc1ccccc1C=O 62a_100000210202_200009853537 [0,2,0,0,0,0|0,1,0]=3 6779 B12R1.121 CCSCc1ccccc1C=O 62a_200009853537_100000210202 [0,2,0,0,0,0|0,1,0]=3 6780 B12R1.121 CCSCc1ccccc1OC 62a_100000210004_100000210202 [0,2,0,0,0,0|0,1,1]=4 6781 B12R1.121 CCSCc1ccccc1OC 62a_100000210202_100000210004 [0,2,0,0,0,0|0,1,1]=4 6782 B12R1.121 CCc1ccccc1COCF 34a_100011663872_100015361967 [0,2,0,0,0,0|1,0,1]=4 6783 B12R1.121 CCc1ccccc1COCF 7a_100011663872_100015361967 [0,2,0,0,0,0|1,0,1]=4 6784 B12R1.121 CCc1ccccc1NCC=O 2230a_100000212081_200015260668 [0,2,0,0,0,0|1,0,0]=3 6785 B12R1.121 CCc1ccccc1NCC=O 34a_100000212081_200009817547 [0,2,0,0,0,0|1,0,0]=3 6786 B12R1.121 CCc1ccccc1NCC=O 7a_100000212081_200015260668 [0,2,0,0,0,0|1,0,0]=3 6787 B12R1.121 CCc1ccccc1NCOC 2230a_100000212081_100000766300 [0,2,0,0,0,0|1,0,1]=4 6788 B12R1.121 CCc1ccccc1OCC#N 7a_100000210936_100011215382 [0,2,0,0,0,0|1,0,1]=4 6789 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,2,0,0,0,0|1,0,0]=3 6790 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,2,0,0,0,0|1,0,0]=3 6791 B12R1.121 CCc1ccccc1OCCF 34a_100000210936_100011217306 [0,2,0,0,0,0|1,0,1]=4 6792 B12R1.121 CCc1ccccc1OCCF 7a_100000210936_100011217306 [0,2,0,0,0,0|1,0,1]=4 6793 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [0,2,0,0,0,0|1,0,1]=4 6794 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [0,2,0,0,0,0|1,0,1]=4 6795 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [0,2,0,0,0,0|1,0,1]=4 6796 B12R1.121 CCc1ccccc1SCC=O 62a_100011215823_200015260668 [0,2,0,0,0,0|1,0,0]=3 6797 B12R1.121 CCc1ccccc1SCC=O 62a_200015260668_100011215823 [0,2,0,0,0,0|1,0,0]=3 6798 B12R1.121 CCc1ccccc1SCOC 62a_100000766300_100011215823 [0,2,0,0,0,0|1,0,1]=4 6799 B12R1.121 CCc1ccccc1SCOC 62a_100011215823_100000766300 [0,2,0,0,0,0|1,0,1]=4 6800 B12R1.121 CCc1ccncc1SCC=O 62a_100009819861_200015260668 [0,2,0,0,0,0|2,0,0]=4 6801 B12R1.121 CCc1ccncc1SCC=O 62a_200015260668_100009819861 [0,2,0,0,0,0|2,0,0]=4 6802 B12R1.121 CCc1cnccc1SCC=O 62a_100025704421_200015260668 [0,2,0,0,0,0|2,0,0]=4 6803 B12R1.121 CCc1cnccc1SCC=O 62a_200015260668_100025704421 [0,2,0,0,0,0|2,0,0]=4 6804 B12R1.121 CCc1ncccc1SCC=O 62a_100009877225_200015260668 [0,2,0,0,0,0|2,0,0]=4 6805 B12R1.121 CCc1ncccc1SCC=O 62a_200015260668_100009877225 [0,2,0,0,0,0|2,0,0]=4 6806 B12R1.121 CNCCc1ccccc1C=O 2230a_106832991635_100010186698 [0,2,0,0,0,0|1,0,0]=3 6807 B12R1.121 CNCCc1ccccc1C=O 34a_100102657272_100010186698 [0,2,0,0,0,0|1,0,0]=3 6808 B12R1.121 CNCCc1ccccc1C=O 7a_106832991635_100010186698 [0,2,0,0,0,0|1,0,0]=3 6809 B12R1.121 CNCCc1ccccc1OC 2230a_100000211851_200000210301 [0,2,0,0,0,0|1,0,1]=4 6810 B12R1.121 CNCCc1ccccc1OC 2230a_106832991635_100011713687 [0,2,0,0,0,0|1,0,1]=4 6811 B12R1.121 CNCCc1ccccc1OC 270004a_106832991635_100011713418 [0,2,0,0,0,0|1,0,1]=4 6812 B12R1.121 CNCCc1ccccc1OC 34a_100000211851_200000210301 [0,2,0,0,0,0|1,0,1]=4 6813 B12R1.121 CNCCc1ccccc1OC 34a_100102657272_100011713687 [0,2,0,0,0,0|1,0,1]=4 6814 B12R1.121 CNCCc1ccccc1OC 7a_106832991635_100011713687 [0,2,0,0,0,0|1,0,1]=4 6815 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,2,0,0,0,0|1,0,0]=3 6816 B12R1.121 CNc1ccccc1OCCF 34a_100000033821_100011217306 [0,2,0,0,0,0|2,0,0]=4 6817 B12R1.121 CNc1ccccc1OCCF 34a_100012000959_200000210301 [0,2,0,0,0,0|2,0,0]=4 6818 B12R1.121 CNc1ccccc1OCCO 34a_100000033821_100000211926 [0,2,0,0,0,0|2,0,0]=4 6819 B12R1.121 CNc1ccccc1OCCO 34a_100132302172_200000210301 [0,2,0,0,0,0|2,0,0]=4 6820 B12R1.121 CNc1ccccc1OCSC 34a_100000033821_100011218213 [0,2,0,0,0,0|2,0,0]=4 6821 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [0,2,0,0,0,0|1,0,0]=3 6822 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [0,2,0,0,0,0|1,0,0]=3 6823 B12R1.121 CNc1ccccc1SCOC 62a_100000766300_100020606079 [0,2,0,0,0,0|2,0,0]=4 6824 B12R1.121 CNc1ccccc1SCOC 62a_100020606079_100000766300 [0,2,0,0,0,0|2,0,0]=4 6825 B12R1.121 CNc1cccnc1SCC=O 62a_200015260668_200011806188 [0,2,0,0,0,0|2,0,0]=4 6826 B12R1.121 CNc1ccncc1SCC=O 62a_100010069531_200015260668 [0,2,0,0,0,0|2,0,0]=4 6827 B12R1.121 CNc1ccncc1SCC=O 62a_200015260668_100010069531 [0,2,0,0,0,0|2,0,0]=4 6828 B12R1.121 CNc1ncccc1SCC=O 62a_100000700899_200015260668 [0,2,0,0,0,0|2,0,0]=4 6829 B12R1.121 CNc1ncccc1SCC=O 62a_200015260668_100000700899 [0,2,0,0,0,0|2,0,0]=4 6830 B12R1.121 COCCc1ccccc1C#N 34a_100138415774_200013032965 [0,2,0,0,0,0|1,0,1]=4 6831 B12R1.121 COCCc1ccccc1C=O 34a_100138415774_100010186698 [0,2,0,0,0,0|0,0,0]=2 6832 B12R1.121 COCCc1ccccc1OC 34a_100000722730_200000210301 [0,2,0,0,0,0|0,0,2]=4 6833 B12R1.121 COCCc1ccccc1OC 34a_100011218620_200000210301 [0,2,0,0,0,0|0,0,2]=4 6834 B12R1.121 COCCc1ccccc1OC 34a_100138415774_100011713687 [0,2,0,0,0,0|0,0,2]=4 6835 B12R1.121 COCCc1ccccc1OC 7a_100000722730_200000210301 [0,2,0,0,0,0|0,0,2]=4 6836 B12R1.121 COCCc1ccccc1OC 7a_100011218620_200000210301 [0,2,0,0,0,0|0,0,2]=4 6837 B12R1.121 COCCc1ccccc1O[13CH3] 34a_100000722730_200025704644 [0,2,0,0,0,0|0,0,2]=4 6838 B12R1.121 COCCc1ccccc1O[13CH3] 7a_100000722730_200025704644 [0,2,0,0,0,0|0,0,2]=4 6839 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [0,2,0,0,0,0|2,0,0]=4 6840 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [0,2,0,0,0,0|2,0,0]=4 6841 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [0,2,0,0,0,0|2,0,0]=4 6842 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [0,2,0,0,0,0|2,0,0]=4 6843 B12R1.121 COCSc1ccccc1C#N 62a_100000766300_100000188569 [0,2,0,0,0,0|1,0,1]=4 6844 B12R1.121 COCSc1ccccc1C=O 62a_100000210073_100000766300 [0,2,0,0,0,0|0,0,0]=2 6845 B12R1.121 COCSc1ccccc1C=O 62a_100000766300_100000210073 [0,2,0,0,0,0|0,0,0]=2 6846 B12R1.121 COCSc1ccccc1CN 62a_100000689332_100000766300 [0,2,0,0,0,0|1,0,1]=4 6847 B12R1.121 COCSc1ccccc1CN 62a_100000766300_100000689332 [0,2,0,0,0,0|1,0,1]=4 6848 B12R1.121 COCSc1ccccc1CO 62a_100000187465_100000766300 [0,2,0,0,0,0|0,0,2]=4 6849 B12R1.121 COCSc1ccccc1CO 62a_100000766300_100000187465 [0,2,0,0,0,0|0,0,2]=4 6850 B12R1.121 COCSc1ccccc1NN 62a_100000241748_100000766300 [0,2,0,0,0,0|2,0,0]=4 6851 B12R1.121 COCSc1ccccc1NN 62a_100000766300_100000241748 [0,2,0,0,0,0|2,0,0]=4 6852 B12R1.121 COCSc1ccccc1OC 62a_100000210334_100000766300 [0,2,0,0,0,0|0,0,2]=4 6853 B12R1.121 COCSc1ccccc1OC 62a_100000766300_100000210334 [0,2,0,0,0,0|0,0,2]=4 6854 B12R1.121 COCSc1ccccc1SC 62a_100000766300_100011217816 [0,2,0,0,0,0|2,0,0]=4 6855 B12R1.121 COCSc1ccccc1SC 62a_100011217816_100000766300 [0,2,0,0,0,0|2,0,0]=4 6856 B12R1.121 COCSc1cccnc1C=O 62a_100000766300_100011934733 [0,2,0,0,0,0|1,0,0]=3 6857 B12R1.121 COCSc1cccnc1C=O 62a_100011934733_100000766300 [0,2,0,0,0,0|1,0,0]=3 6858 B12R1.121 COCSc1ccncc1C=O 62a_100000050567_100000766300 [0,2,0,0,0,0|1,0,0]=3 6859 B12R1.121 COCSc1ccncc1C=O 62a_100000766300_100000050567 [0,2,0,0,0,0|1,0,0]=3 6860 B12R1.121 COCSc1cnccc1C=O 62a_100000766300_100011934409 [0,2,0,0,0,0|1,0,0]=3 6861 B12R1.121 COCSc1cnccc1C=O 62a_100011934409_100000766300 [0,2,0,0,0,0|1,0,0]=3 6862 B12R1.121 COCSc1ncccc1C=O 62a_100000766300_100009816751 [0,2,0,0,0,0|1,0,0]=3 6863 B12R1.121 COCSc1ncccc1C=O 62a_100009816751_100000766300 [0,2,0,0,0,0|1,0,0]=3 6864 B12R1.121 COCSc1nccnc1C=O 62a_100000051000_100000766300 [0,2,0,0,0,0|2,0,0]=4 6865 B12R1.121 COCSc1nccnc1C=O 62a_100000766300_100000051000 [0,2,0,0,0,0|2,0,0]=4 6866 B12R1.121 COc1ccccc1CCN[13CH3] 2230a_100000211851_200025704644 [0,2,0,0,0,0|1,0,1]=4 6867 B12R1.121 COc1ccccc1CCN[13CH3] 34a_100000211851_200025704644 [0,2,0,0,0,0|1,0,1]=4 6868 B12R1.121 COc1ccccc1CCO[13CH3] 34a_100011218620_200025704644 [0,2,0,0,0,0|0,0,2]=4 6869 B12R1.121 COc1ccccc1CCO[13CH3] 7a_100011218620_200025704644 [0,2,0,0,0,0|0,0,2]=4 6870 B12R1.121 COc1ccccc1CCSC 62a_100011713687_200000210301 [0,2,0,0,0,0|0,1,1]=4 6871 B12R1.121 COc1ccccc1CCSC 62a_200000210301_100011713687 [0,2,0,0,0,0|0,1,1]=4 6872 B12R1.121 COc1ccccc1CCS[13CH3] 62a_100011713687_200025704644 [0,2,0,0,0,0|0,1,1]=4 6873 B12R1.121 COc1ccccc1CCS[13CH3] 62a_200025704644_100011713687 [0,2,0,0,0,0|0,1,1]=4 6874 B12R1.121 COc1ccccc1CNCF 34a_100000188900_100015361967 [0,2,0,0,0,0|1,0,1]=4 6875 B12R1.121 COc1ccccc1COCF 34a_100000211301_100015361967 [0,2,0,0,0,0|0,0,2]=4 6876 B12R1.121 COc1ccccc1CSCF 62a_100000210004_100015361967 [0,2,0,0,0,0|0,1,1]=4 6877 B12R1.121 COc1ccccc1CSCF 62a_100015361967_100000210004 [0,2,0,0,0,0|0,1,1]=4 6878 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [0,2,0,0,0,0|0,0,0]=2 6879 B12R1.121 COc1ccccc1NCCF 34a_100000210025_100011217306 [0,2,0,0,0,0|1,0,1]=4 6880 B12R1.121 COc1ccccc1NCCO 34a_100000210025_100000211926 [0,2,0,0,0,0|0,0,2]=4 6881 B12R1.121 COc1ccccc1NCSC 34a_100000210025_100011218213 [0,2,0,0,0,0|0,1,1]=4 6882 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [0,2,0,0,0,0|0,0,0]=2 6883 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [0,2,0,0,0,0|1,0,1]=4 6884 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [0,2,0,0,0,0|0,0,2]=4 6885 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [0,2,0,0,0,0|0,0,2]=4 6886 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [0,2,0,0,0,0|0,0,2]=4 6887 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [0,2,0,0,0,0|0,1,1]=4 6888 B12R1.121 COc1ccccc1SCC#N 62a_100000210334_100011215382 [0,2,0,0,0,0|1,0,1]=4 6889 B12R1.121 COc1ccccc1SCC#N 62a_100011215382_100000210334 [0,2,0,0,0,0|1,0,1]=4 6890 B12R1.121 COc1ccccc1SCC=O 62a_100000210334_200015260668 [0,2,0,0,0,0|0,0,0]=2 6891 B12R1.121 COc1ccccc1SCC=O 62a_200015260668_100000210334 [0,2,0,0,0,0|0,0,0]=2 6892 B12R1.121 COc1ccccc1SCCF 62a_100000210334_100011217306 [0,2,0,0,0,0|1,0,1]=4 6893 B12R1.121 COc1ccccc1SCCF 62a_100011217306_100000210334 [0,2,0,0,0,0|1,0,1]=4 6894 B12R1.121 COc1ccccc1SCCO 62a_100000210334_100000211926 [0,2,0,0,0,0|0,0,2]=4 6895 B12R1.121 COc1ccccc1SCCO 62a_100000211926_100000210334 [0,2,0,0,0,0|0,0,2]=4 6896 B12R1.121 COc1ccccc1SCSC 62a_100000210334_100011218213 [0,2,0,0,0,0|0,1,1]=4 6897 B12R1.121 COc1ccccc1SCSC 62a_100011218213_100000210334 [0,2,0,0,0,0|0,1,1]=4 6898 B12R1.121 COc1cccnc1OCC=O 34a_100025773188_200009817547 [0,2,0,0,0,0|1,0,0]=3 6899 B12R1.121 COc1cccnc1SCC=O 62a_100000767102_200015260668 [0,2,0,0,0,0|1,0,0]=3 6900 B12R1.121 COc1cccnc1SCC=O 62a_200015260668_100000690851 [0,2,0,0,0,0|1,0,0]=3 6901 B12R1.121 COc1ccncc1OCC=O 34a_100000101186_200009817547 [0,2,0,0,0,0|1,0,0]=3 6902 B12R1.121 COc1ccncc1SCC=O 62a_100011997281_200015260668 [0,2,0,0,0,0|1,0,0]=3 6903 B12R1.121 COc1ccncc1SCC=O 62a_200015260668_100011997281 [0,2,0,0,0,0|1,0,0]=3 6904 B12R1.121 COc1cnccc1SCC=O 62a_100016988167_200015260668 [0,2,0,0,0,0|1,0,0]=3 6905 B12R1.121 COc1cnccc1SCC=O 62a_200015260668_100016988167 [0,2,0,0,0,0|1,0,0]=3 6906 B12R1.121 COc1cncnc1SCC=O 62a_100012001275_200015260668 [0,2,0,0,0,0|2,0,0]=4 6907 B12R1.121 COc1cncnc1SCC=O 62a_200015260668_100012001275 [0,2,0,0,0,0|2,0,0]=4 6908 B12R1.121 COc1ncccc1OCC=O 34a_100000698397_200009817547 [0,2,0,0,0,0|1,0,0]=3 6909 B12R1.121 COc1ncccc1OCC=O 7a_100000698397_200015260668 [0,2,0,0,0,0|1,0,0]=3 6910 B12R1.121 COc1ncccc1SCC=O 62a_100000047025_200015260668 [0,2,0,0,0,0|1,0,0]=3 6911 B12R1.121 COc1ncccc1SCC=O 62a_200015260668_100000047025 [0,2,0,0,0,0|1,0,0]=3 6912 B12R1.121 COc1nccnc1SCC=O 62a_100009858322_200015260668 [0,2,0,0,0,0|2,0,0]=4 6913 B12R1.121 COc1nccnc1SCC=O 62a_200015260668_100000749998 [0,2,0,0,0,0|2,0,0]=4 6914 B12R1.121 COc1ncncc1SCC=O 62a_100000719902_200015260668 [0,2,0,0,0,0|2,0,0]=4 6915 B12R1.121 COc1ncncc1SCC=O 62a_200015260668_100000719902 [0,2,0,0,0,0|2,0,0]=4 6916 B12R1.121 CSCCc1ccccc1C=O 62a_100010186698_200000210301 [0,2,0,0,0,0|0,1,0]=3 6917 B12R1.121 CSCCc1ccccc1C=O 62a_200000210301_100010186698 [0,2,0,0,0,0|0,1,0]=3 6918 B12R1.121 CSCOc1ccccc1C#N 34a_100000211048_100011218213 [0,2,0,0,0,0|1,0,1]=4 6919 B12R1.121 CSCOc1ccccc1CN 34a_100000185550_100011218213 [0,2,0,0,0,0|1,0,1]=4 6920 B12R1.121 CSCOc1ccccc1CO 34a_100011216872_100011218213 [0,2,0,0,0,0|0,0,2]=4 6921 B12R1.121 CSCOc1ccccc1SC 34a_100011216402_100011218213 [0,2,0,0,0,0|2,0,0]=4 6922 B12R1.121 CSCSc1ccccc1C=O 62a_100000210073_100011218213 [0,2,0,0,0,0|0,1,0]=3 6923 B12R1.121 CSCSc1ccccc1C=O 62a_100011218213_100000210073 [0,2,0,0,0,0|0,1,0]=3 6924 B12R1.121 CSCSc1cccnc1C=O 62a_100011218213_100011934733 [0,2,0,0,0,0|1,1,0]=4 6925 B12R1.121 CSCSc1cccnc1C=O 62a_100011934733_100011218213 [0,2,0,0,0,0|1,1,0]=4 6926 B12R1.121 CSCSc1ccncc1C=O 62a_100000050567_100011218213 [0,2,0,0,0,0|1,1,0]=4 6927 B12R1.121 CSCSc1ccncc1C=O 62a_100011218213_100000050567 [0,2,0,0,0,0|1,1,0]=4 6928 B12R1.121 CSCSc1cnccc1C=O 62a_100011218213_100011934409 [0,2,0,0,0,0|1,1,0]=4 6929 B12R1.121 CSCSc1cnccc1C=O 62a_100011934409_100011218213 [0,2,0,0,0,0|1,1,0]=4 6930 B12R1.121 CSCSc1ncccc1C=O 62a_100009816751_100011218213 [0,2,0,0,0,0|1,1,0]=4 6931 B12R1.121 CSCSc1ncccc1C=O 62a_100011218213_100009816751 [0,2,0,0,0,0|1,1,0]=4 6932 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200000210301_200016268969 [0,2,0,0,0,0|0,1,0]=3 6933 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200016268969_200000210301 [0,2,0,0,0,0|0,1,0]=3 6934 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,2,0,0,0,0|0,1,0]=3 6935 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,2,0,0,0,0|0,1,0]=3 6936 B12R1.121 CSc1ccccc1COCF 34a_100000699167_100015361967 [0,2,0,0,0,0|2,0,0]=4 6937 B12R1.121 CSc1ccccc1NCC=O 34a_100000211160_200009817547 [0,2,0,0,0,0|0,1,0]=3 6938 B12R1.121 CSc1ccccc1OCC#N 62a_200000173881_200000210301 [0,2,0,0,0,0|2,0,0]=4 6939 B12R1.121 CSc1ccccc1OCC#N 62a_200000210301_200000173881 [0,2,0,0,0,0|2,0,0]=4 6940 B12R1.121 CSc1ccccc1OCC=O 34a_100011216402_200009817547 [0,2,0,0,0,0|0,1,0]=3 6941 B12R1.121 CSc1ccccc1OCCF 34a_100011216402_100011217306 [0,2,0,0,0,0|2,0,0]=4 6942 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [0,2,0,0,0,0|2,0,0]=4 6943 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [0,2,0,0,0,0|2,0,0]=4 6944 B12R1.121 CSc1ccccc1OCCO 34a_100011216402_100000211926 [0,2,0,0,0,0|2,0,0]=4 6945 B12R1.121 CSc1ccccc1OCCO 62a_100000230753_200000210301 [0,2,0,0,0,0|2,0,0]=4 6946 B12R1.121 CSc1ccccc1OCCO 62a_200000210301_100000230753 [0,2,0,0,0,0|2,0,0]=4 6947 B12R1.121 CSc1ccccc1SCC=O 62a_100011217816_200015260668 [0,2,0,0,0,0|0,1,0]=3 6948 B12R1.121 CSc1ccccc1SCC=O 62a_200015260668_100011217816 [0,2,0,0,0,0|0,1,0]=3 6949 B12R1.121 CSc1ncccc1SCC=O 62a_100011465278_200015260668 [0,2,0,0,0,0|1,1,0]=4 6950 B12R1.121 CSc1ncccc1SCC=O 62a_200015260668_100011465278 [0,2,0,0,0,0|1,1,0]=4 6951 B12R1.121 FCOCc1ccccc1CBr 34a_100009816955_100015361967 [0,2,0,0,0,0|1,0,1]=4 6952 B12R1.121 FCOCc1ccccc1CBr 7a_100009816955_100015361967 [0,2,0,0,0,0|1,0,1]=4 6953 B12R1.121 N#CCOc1ccccc1C#N 7a_100000211048_100011215382 [0,2,0,0,0,0|1,0,1]=4 6954 B12R1.121 N#CCSc1ccccc1C=O 62a_100000210073_100011215382 [0,2,0,0,0,0|0,1,0]=3 6955 B12R1.121 N#CCSc1ccccc1C=O 62a_100011215382_100000210073 [0,2,0,0,0,0|0,1,0]=3 6956 B12R1.121 N#CCSc1cccnc1C=O 62a_100011215382_100011934733 [0,2,0,0,0,0|1,1,0]=4 6957 B12R1.121 N#CCSc1cccnc1C=O 62a_100011934733_100011215382 [0,2,0,0,0,0|1,1,0]=4 6958 B12R1.121 N#CCSc1ccncc1C=O 62a_100000050567_100011215382 [0,2,0,0,0,0|1,1,0]=4 6959 B12R1.121 N#CCSc1ccncc1C=O 62a_100011215382_100000050567 [0,2,0,0,0,0|1,1,0]=4 6960 B12R1.121 N#CCSc1cnccc1C=O 62a_100011215382_100011934409 [0,2,0,0,0,0|1,1,0]=4 6961 B12R1.121 N#CCSc1cnccc1C=O 62a_100011934409_100011215382 [0,2,0,0,0,0|1,1,0]=4 6962 B12R1.121 N#CCSc1ncccc1C=O 62a_100009816751_100011215382 [0,2,0,0,0,0|1,1,0]=4 6963 B12R1.121 N#CCSc1ncccc1C=O 62a_100011215382_100009816751 [0,2,0,0,0,0|1,1,0]=4 6964 B12R1.121 N#Cc1ccccc1COCF 34a_200011269968_100015361967 [0,2,0,0,0,0|1,0,1]=4 6965 B12R1.121 N#Cc1ccccc1COCF 7a_200011269968_100015361967 [0,2,0,0,0,0|1,0,1]=4 6966 B12R1.121 N#Cc1ccccc1NCC=O 34a_100000211148_200009817547 [0,2,0,0,0,0|2,0,0]=4 6967 B12R1.121 N#Cc1ccccc1OCC=O 34a_100000211048_200009817547 [0,2,0,0,0,0|1,0,1]=4 6968 B12R1.121 N#Cc1ccccc1OCC=O 7a_100000211048_200015260668 [0,2,0,0,0,0|1,0,1]=4 6969 B12R1.121 N#Cc1ccccc1OCCF 34a_100000211048_100011217306 [0,2,0,0,0,0|1,0,1]=4 6970 B12R1.121 N#Cc1ccccc1OCCF 7a_100000211048_100011217306 [0,2,0,0,0,0|1,0,1]=4 6971 B12R1.121 N#Cc1ccccc1OCCO 34a_100000211048_100000211926 [0,2,0,0,0,0|1,0,1]=4 6972 B12R1.121 N#Cc1ccccc1OCCO 7a_100000211048_100000211926 [0,2,0,0,0,0|1,0,1]=4 6973 B12R1.121 N#Cc1ccccc1SCC=O 62a_200015260668_100000188569 [0,2,0,0,0,0|2,0,0]=4 6974 B12R1.121 NCc1ccccc1COCF 34a_100000743596_100015361967 [0,2,0,0,0,0|1,0,1]=4 6975 B12R1.121 NCc1ccccc1OCC=O 34a_100000185550_200009817547 [0,2,0,0,0,0|1,0,1]=4 6976 B12R1.121 NCc1ccccc1OCCF 34a_100000185550_100011217306 [0,2,0,0,0,0|1,0,1]=4 6977 B12R1.121 NCc1ccccc1OCCO 34a_100000185550_100000211926 [0,2,0,0,0,0|1,0,1]=4 6978 B12R1.121 NCc1ccccc1SCC=O 62a_100000689332_200015260668 [0,2,0,0,0,0|2,0,0]=4 6979 B12R1.121 NCc1ccccc1SCC=O 62a_200015260668_100000689332 [0,2,0,0,0,0|2,0,0]=4 6980 B12R1.121 NNc1ccccc1SCC=O 62a_100000241748_200015260668 [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.121 NNc1ccccc1SCC=O 62a_200015260668_100000241748 [0,2,0,0,0,0|2,0,0]=4 6982 B12R1.121 O=CCNc1ccccc1CO 34a_100000212039_200009817547 [0,2,0,0,0,0|2,0,0]=4 6983 B12R1.121 O=CCOc1ccccc1CO 34a_100011216872_200009817547 [0,2,0,0,0,0|0,0,2]=4 6984 B12R1.121 O=CCSc1ccccc1C=O 62a_100000210073_200015260668 [0,2,0,0,0,0|0,1,0]=3 6985 B12R1.121 O=CCSc1ccccc1C=O 62a_200015260668_100000210073 [0,2,0,0,0,0|0,1,0]=3 6986 B12R1.121 O=CCSc1ccccc1CO 62a_100000187465_200015260668 [0,2,0,0,0,0|2,0,0]=4 6987 B12R1.121 O=CCSc1ccccc1CO 62a_200015260668_100000187465 [0,2,0,0,0,0|2,0,0]=4 6988 B12R1.121 O=CCSc1cccnc1C=O 62a_100011934733_200015260668 [0,2,0,0,0,0|1,1,0]=4 6989 B12R1.121 O=CCSc1cccnc1C=O 62a_200015260668_100011934733 [0,2,0,0,0,0|1,1,0]=4 6990 B12R1.121 O=CCSc1ccncc1C=O 62a_100000050567_200015260668 [0,2,0,0,0,0|1,1,0]=4 6991 B12R1.121 O=CCSc1ccncc1C=O 62a_200015260668_100000050567 [0,2,0,0,0,0|1,1,0]=4 6992 B12R1.121 O=CCSc1cnccc1C=O 62a_100011934409_200015260668 [0,2,0,0,0,0|1,1,0]=4 6993 B12R1.121 O=CCSc1cnccc1C=O 62a_200015260668_100011934409 [0,2,0,0,0,0|1,1,0]=4 6994 B12R1.121 O=CCSc1ncccc1C=O 62a_100009816751_200015260668 [0,2,0,0,0,0|1,1,0]=4 6995 B12R1.121 O=CCSc1ncccc1C=O 62a_200015260668_100009816751 [0,2,0,0,0,0|1,1,0]=4 6996 B12R1.121 O=Cc1ccccc1CSCF 62a_100015361967_200009853537 [0,2,0,0,0,0|0,1,0]=3 6997 B12R1.121 O=Cc1ccccc1CSCF 62a_200009853537_100015361967 [0,2,0,0,0,0|0,1,0]=3 6998 B12R1.121 O=Cc1ccccc1SCCF 62a_100000210073_100011217306 [0,2,0,0,0,0|0,1,0]=3 6999 B12R1.121 O=Cc1ccccc1SCCF 62a_100011217306_100000210073 [0,2,0,0,0,0|0,1,0]=3 7000 B12R1.121 O=Cc1ccccc1SCCO 62a_100000210073_100000211926 [0,2,0,0,0,0|0,1,0]=3 7001 B12R1.121 O=Cc1ccccc1SCCO 62a_100000211926_100000210073 [0,2,0,0,0,0|0,1,0]=3 7002 B12R1.121 O=Cc1cccnc1SCCF 62a_100009816751_100011217306 [0,2,0,0,0,0|1,1,0]=4 7003 B12R1.121 O=Cc1cccnc1SCCF 62a_100011217306_100009816751 [0,2,0,0,0,0|1,1,0]=4 7004 B12R1.121 O=Cc1cccnc1SCCO 62a_100000211926_100009816751 [0,2,0,0,0,0|1,1,0]=4 7005 B12R1.121 O=Cc1cccnc1SCCO 62a_100009816751_100000211926 [0,2,0,0,0,0|1,1,0]=4 7006 B12R1.121 O=Cc1ccncc1SCCF 62a_100011217306_100011934409 [0,2,0,0,0,0|1,1,0]=4 7007 B12R1.121 O=Cc1ccncc1SCCF 62a_100011934409_100011217306 [0,2,0,0,0,0|1,1,0]=4 7008 B12R1.121 O=Cc1ccncc1SCCO 62a_100000211926_100011934409 [0,2,0,0,0,0|1,1,0]=4 7009 B12R1.121 O=Cc1ccncc1SCCO 62a_100011934409_100000211926 [0,2,0,0,0,0|1,1,0]=4 7010 B12R1.121 O=Cc1cnccc1SCCF 62a_100000050567_100011217306 [0,2,0,0,0,0|1,1,0]=4 7011 B12R1.121 O=Cc1cnccc1SCCF 62a_100011217306_100000050567 [0,2,0,0,0,0|1,1,0]=4 7012 B12R1.121 O=Cc1cnccc1SCCO 62a_100000050567_100000211926 [0,2,0,0,0,0|1,1,0]=4 7013 B12R1.121 O=Cc1cnccc1SCCO 62a_100000211926_100000050567 [0,2,0,0,0,0|1,1,0]=4 7014 B12R1.121 O=Cc1ncccc1SCCF 62a_100011217306_100011934733 [0,2,0,0,0,0|1,1,0]=4 7015 B12R1.121 O=Cc1ncccc1SCCF 62a_100011934733_100011217306 [0,2,0,0,0,0|1,1,0]=4 7016 B12R1.121 O=Cc1ncccc1SCCO 62a_100000211926_100011934733 [0,2,0,0,0,0|1,1,0]=4 7017 B12R1.121 O=Cc1ncccc1SCCO 62a_100011934733_100000211926 [0,2,0,0,0,0|1,1,0]=4 7018 B12R1.121 OCCOc1ccccc1CO 34a_100011216872_100000211926 [0,2,0,0,0,0|0,0,2]=4 7019 B12R1.121 OCc1ccccc1OCCF 34a_100011216872_100011217306 [0,2,0,0,0,0|0,0,2]=4 7020 B12R1.121 [13CH3]Nc1ccccc1OCCF 34a_100012000959_200025704644 [0,2,0,0,0,0|2,0,0]=4 7021 B12R1.121 [13CH3]Nc1ccccc1OCCO 34a_100132302172_200025704644 [0,2,0,0,0,0|2,0,0]=4 7022 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [0,2,0,0,0,0|0,0,2]=4 7023 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [0,2,0,0,0,0|0,0,2]=4 7024 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_100010186698_200025704644 [0,2,0,0,0,0|0,1,0]=3 7025 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_200025704644_100010186698 [0,2,0,0,0,0|0,1,0]=3 7026 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200016268969_200025704644 [0,2,0,0,0,0|0,1,0]=3 7027 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200025704644_200016268969 [0,2,0,0,0,0|0,1,0]=3 7028 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,2,0,0,0,0|0,1,0]=3 7029 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,2,0,0,0,0|0,1,0]=3 7030 B12R1.121 [13CH3]Sc1ccccc1OCC#N 62a_200000173881_200025704644 [0,2,0,0,0,0|2,0,0]=4 7031 B12R1.121 [13CH3]Sc1ccccc1OCC#N 62a_200025704644_200000173881 [0,2,0,0,0,0|2,0,0]=4 7032 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [0,2,0,0,0,0|2,0,0]=4 7033 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [0,2,0,0,0,0|2,0,0]=4 7034 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_100000230753_200025704644 [0,2,0,0,0,0|2,0,0]=4 7035 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_200025704644_100000230753 [0,2,0,0,0,0|2,0,0]=4 7036 B12R1.169 C/C=C/c1ccccc1OCC 34a_200000189419_100000210202 [0,2,0,0,0,0|1,0,0]=3 7037 B12R1.169 C/C=C/c1ccccc1OCC 7a_200000189419_100000210202 [0,2,0,0,0,0|1,0,0]=3 7038 B12R1.169 C/C=C/c1ccccc1OCF 34a_200000189419_100015361967 [0,2,0,0,0,0|1,0,0]=3 7039 B12R1.169 C/C=C/c1ccccc1OCF 7a_200000189419_100015361967 [0,2,0,0,0,0|1,0,0]=3 7040 B12R1.169 C=C=Cc1ccccc1CCN 271570a_100015277604_100000747383 [0,2,0,0,0,0|2,0,0]=4 7041 B12R1.169 C=C=Cc1ccccc1CCO 271570a_100015277604_100000731337 [0,2,0,0,0,0|2,0,0]=4 7042 B12R1.169 C=C=Cc1ccccc1CNC 271570a_100015277604_100000184654 [0,2,0,0,0,0|2,0,0]=4 7043 B12R1.169 C=C=Cc1ccccc1COC 271570a_100015277604_100011493684 [0,2,0,0,0,0|1,0,0]=3 7044 B12R1.169 C=C=Cc1ccccc1CSC 271570a_100015277604_100000148299 [0,2,0,0,0,0|1,1,0]=4 7045 B12R1.169 C=C=Cc1ccccc1NCC 271570a_100015277604_114873767003 [0,2,0,0,0,0|2,0,0]=4 7046 B12R1.169 C=C=Cc1ccccc1OCC 271570a_100015277604_100000230754 [0,2,0,0,0,0|1,0,0]=3 7047 B12R1.169 C=C=Cc1ccccc1SCC 271570a_100015277604_100000230856 [0,2,0,0,0,0|1,1,0]=4 7048 B12R1.169 C=C=Cc1cccnc1OCC 271570a_100015277604_100011465154 [0,2,0,0,0,0|2,0,0]=4 7049 B12R1.169 C=C=Cc1ncccc1OCC 271570a_100015277604_100011597540 [0,2,0,0,0,0|2,0,0]=4 7050 B12R1.169 C=CCc1ccccc1C=CC 271570a_100016259895_100009828059 [0,2,0,0,0,0|2,0,0]=4 7051 B12R1.169 C=CCc1ccccc1CNC 207a_100102657272_100010619294 [0,2,0,0,0,0|2,0,0]=4 7052 B12R1.169 C=CCc1ccccc1CNC 26a_100102657272_100000211836 [0,2,0,0,0,0|2,0,0]=4 7053 B12R1.169 C=CCc1ccccc1CNC 270004a_106832991635_100010619294 [0,2,0,0,0,0|2,0,0]=4 7054 B12R1.169 C=CCc1ccccc1NCC 2230a_200138433279_100000210202 [0,2,0,0,0,0|2,0,0]=4 7055 B12R1.169 C=CCc1ccccc1NCC 34a_200138433279_100000210202 [0,2,0,0,0,0|2,0,0]=4 7056 B12R1.169 C=CCc1ccccc1NCF 34a_200138433279_100015361967 [0,2,0,0,0,0|2,0,0]=4 7057 B12R1.169 C=CCc1ccccc1OCC 34a_100000211836_100000210202 [0,2,0,0,0,0|1,0,0]=3 7058 B12R1.169 C=CCc1ccccc1OCC 7a_100000211836_100000210202 [0,2,0,0,0,0|1,0,0]=3 7059 B12R1.169 C=CCc1ccccc1OCF 34a_100000211836_100015361967 [0,2,0,0,0,0|1,0,0]=3 7060 B12R1.169 C=CCc1ccccc1OCF 7a_100000211836_100015361967 [0,2,0,0,0,0|1,0,0]=3 7061 B12R1.169 C=CCc1ccccc1SCC 62a_100000210202_100009828059 [0,2,0,0,0,0|1,1,0]=4 7062 B12R1.169 C=CCc1ccccc1SCC 62a_100009828059_100000210202 [0,2,0,0,0,0|1,1,0]=4 7063 B12R1.169 C=CCc1ccccc1SCF 62a_100009828059_100015361967 [0,2,0,0,0,0|1,1,0]=4 7064 B12R1.169 C=CCc1ccccc1SCF 62a_100015361967_100009828059 [0,2,0,0,0,0|1,1,0]=4 7065 B12R1.169 CC=Cc1ccccc1CCN 271570a_100016259895_100000747383 [0,2,0,0,0,0|2,0,0]=4 7066 B12R1.169 CC=Cc1ccccc1CCO 271570a_100016259895_100000731337 [0,2,0,0,0,0|2,0,0]=4 7067 B12R1.169 CC=Cc1ccccc1CNC 271570a_100016259895_100000184654 [0,2,0,0,0,0|2,0,0]=4 7068 B12R1.169 CC=Cc1ccccc1COC 271570a_100016259895_100011493684 [0,2,0,0,0,0|1,0,0]=3 7069 B12R1.169 CC=Cc1ccccc1CSC 271570a_100016259895_100000148299 [0,2,0,0,0,0|1,1,0]=4 7070 B12R1.169 CC=Cc1ccccc1NCC 271570a_100016259895_114873767003 [0,2,0,0,0,0|2,0,0]=4 7071 B12R1.169 CC=Cc1ccccc1OCC 271570a_100016259895_100000230754 [0,2,0,0,0,0|1,0,0]=3 7072 B12R1.169 CC=Cc1ccccc1SCC 271570a_100016259895_100000230856 [0,2,0,0,0,0|1,1,0]=4 7073 B12R1.169 CC=Cc1cccnc1OCC 271570a_100016259895_100011465154 [0,2,0,0,0,0|2,0,0]=4 7074 B12R1.169 CC=Cc1ncccc1OCC 271570a_100016259895_100011597540 [0,2,0,0,0,0|2,0,0]=4 7075 B12R1.169 CCCc1ccccc1OCC 34a_100011217252_100000210202 [0,2,0,0,0,0|1,0,1]=4 7076 B12R1.169 CCCc1ccccc1OCC 7a_100011217252_100000210202 [0,2,0,0,0,0|1,0,1]=4 7077 B12R1.169 CCCc1ccccc1OCF 34a_100011217252_100015361967 [0,2,0,0,0,0|1,0,1]=4 7078 B12R1.169 CCCc1ccccc1OCF 7a_100011217252_100015361967 [0,2,0,0,0,0|1,0,1]=4 7079 B12R1.169 CCNc1ccccc1OCC 34a_100000211218_100000210202 [0,2,0,0,0,0|1,0,1]=4 7080 B12R1.169 CCNc1ccccc1OCC 34a_103624766699_100000210202 [0,2,0,0,0,0|1,0,1]=4 7081 B12R1.169 CCNc1ccccc1OCC 7a_103624766699_100000210202 [0,2,0,0,0,0|1,0,1]=4 7082 B12R1.169 CCNc1ccccc1OCF 34a_103624766699_100015361967 [0,2,0,0,0,0|1,0,1]=4 7083 B12R1.169 CCNc1ccccc1OCF 7a_103624766699_100015361967 [0,2,0,0,0,0|1,0,1]=4 7084 B12R1.169 CCOc1ccccc1CC#N 34a_100000043107_100000210202 [0,2,0,0,0,0|1,0,1]=4 7085 B12R1.169 CCOc1ccccc1CC#N 7a_100000043107_100000210202 [0,2,0,0,0,0|1,0,1]=4 7086 B12R1.169 CCOc1ccccc1CCBr 34a_100000722297_100000210202 [0,2,0,0,0,0|1,0,1]=4 7087 B12R1.169 CCOc1ccccc1CCBr 7a_100000722297_100000210202 [0,2,0,0,0,0|1,0,1]=4 7088 B12R1.169 CCOc1ccccc1CCN 34a_100011207237_100000210202 [0,2,0,0,0,0|1,0,1]=4 7089 B12R1.169 CCOc1ccccc1CCO 34a_100000719421_100000210202 [0,2,0,0,0,0|0,0,2]=4 7090 B12R1.169 CCOc1ccccc1CCO 7a_100000719421_100000210202 [0,2,0,0,0,0|0,0,2]=4 7091 B12R1.169 CCOc1ccccc1CNC 207a_100102657272_100000169843 [0,2,0,0,0,0|1,0,1]=4 7092 B12R1.169 CCOc1ccccc1CNC 270004a_106832991635_100000169843 [0,2,0,0,0,0|1,0,1]=4 7093 B12R1.169 CCOc1ccccc1CNC 34a_100015189988_100000210202 [0,2,0,0,0,0|1,0,1]=4 7094 B12R1.169 CCOc1ccccc1COC 34a_100000708577_200000210301 [0,2,0,0,0,0|0,0,2]=4 7095 B12R1.169 CCOc1ccccc1COC 34a_100011488565_100000210202 [0,2,0,0,0,0|0,0,2]=4 7096 B12R1.169 CCOc1ccccc1COC 7a_100000708577_200000210301 [0,2,0,0,0,0|0,0,2]=4 7097 B12R1.169 CCOc1ccccc1COC 7a_100011488565_100000210202 [0,2,0,0,0,0|0,0,2]=4 7098 B12R1.169 CCOc1ccccc1CO[13CH3] 34a_100000708577_200025704644 [0,2,0,0,0,0|0,0,2]=4 7099 B12R1.169 CCOc1ccccc1CO[13CH3] 7a_100000708577_200025704644 [0,2,0,0,0,0|0,0,2]=4 7100 B12R1.169 CCOc1ccccc1NCF 34a_100000211218_100015361967 [0,2,0,0,0,0|1,0,1]=4 7101 B12R1.169 CCOc1ccccc1OCC 34a_100000211404_100000210202 [0,2,0,0,0,0|1,0,1]=4 7102 B12R1.169 CCOc1ccccc1OCC 7a_100000211404_100000210202 [0,2,0,0,0,0|1,0,1]=4 7103 B12R1.169 CCOc1ccccc1OCF 34a_100000211404_100015361967 [0,2,0,0,0,0|1,0,1]=4 7104 B12R1.169 CCOc1ccccc1OCF 7a_100000211404_100015361967 [0,2,0,0,0,0|1,0,1]=4 7105 B12R1.169 CCOc1ccccc1SCC 62a_100000210202_100000230754 [0,2,0,0,0,0|1,0,1]=4 7106 B12R1.169 CCOc1ccccc1SCC 62a_100000230754_100000210202 [0,2,0,0,0,0|1,0,1]=4 7107 B12R1.169 CCOc1ccccc1SCF 62a_100000230754_100015361967 [0,2,0,0,0,0|1,0,1]=4 7108 B12R1.169 CCOc1ccccc1SCF 62a_100015361967_100000230754 [0,2,0,0,0,0|1,0,1]=4 7109 B12R1.169 CCSc1ccccc1COC 62a_100000210202_100011493684 [0,2,0,0,0,0|1,0,1]=4 7110 B12R1.169 CCSc1ccccc1COC 62a_100011493684_100000210202 [0,2,0,0,0,0|1,0,1]=4 7111 B12R1.169 CCSc1ccccc1NC=O 62a_100000210202_200020615051 [0,2,0,0,0,0|0,1,0]=3 7112 B12R1.169 CCSc1ccccc1NC=O 62a_200020615051_100000210202 [0,2,0,0,0,0|0,1,0]=3 7113 B12R1.169 CNCc1ccccc1OCF 34a_100015189988_100015361967 [0,2,0,0,0,0|1,0,1]=4 7114 B12R1.169 COCc1ccccc1OCF 34a_100011488565_100015361967 [0,2,0,0,0,0|0,0,2]=4 7115 B12R1.169 COCc1ccccc1OCF 7a_100011488565_100015361967 [0,2,0,0,0,0|0,0,2]=4 7116 B12R1.169 COCc1ccccc1SCF 62a_100011493684_100015361967 [0,2,0,0,0,0|1,0,1]=4 7117 B12R1.169 COCc1ccccc1SCF 62a_100015361967_100011493684 [0,2,0,0,0,0|1,0,1]=4 7118 B12R1.169 FCOc1ccccc1CCBr 34a_100000722297_100015361967 [0,2,0,0,0,0|1,0,1]=4 7119 B12R1.169 FCOc1ccccc1CCBr 7a_100000722297_100015361967 [0,2,0,0,0,0|1,0,1]=4 7120 B12R1.169 N#CCc1ccccc1OCF 34a_100000043107_100015361967 [0,2,0,0,0,0|1,0,1]=4 7121 B12R1.169 N#CCc1ccccc1OCF 7a_100000043107_100015361967 [0,2,0,0,0,0|1,0,1]=4 7122 B12R1.169 NCCc1ccccc1OCF 34a_100011207237_100015361967 [0,2,0,0,0,0|1,0,1]=4 7123 B12R1.169 O=CNc1ccccc1SCF 62a_100015361967_200020615051 [0,2,0,0,0,0|0,1,0]=3 7124 B12R1.169 O=CNc1ccccc1SCF 62a_200020615051_100015361967 [0,2,0,0,0,0|0,1,0]=3 7125 B12R1.169 OCCc1ccccc1OCF 34a_100000719421_100015361967 [0,2,0,0,0,0|0,0,2]=4 7126 B12R1.169 OCCc1ccccc1OCF 7a_100000719421_100015361967 [0,2,0,0,0,0|0,0,2]=4 7127 B12R1.283 C=C(C)c1ccccc1CCN 271570a_100000694244_100000747383 [0,2,0,0,0,0|2,0,0]=4 7128 B12R1.283 C=C(C)c1ccccc1CCO 271570a_100000694244_100000731337 [0,2,0,0,0,0|2,0,0]=4 7129 B12R1.283 C=C(C)c1ccccc1CNC 271570a_100000694244_100000184654 [0,2,0,0,0,0|2,0,0]=4 7130 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [0,2,0,0,0,0|1,0,0]=3 7131 B12R1.283 C=C(C)c1ccccc1CSC 271570a_100000694244_100000148299 [0,2,0,0,0,0|1,1,0]=4 7132 B12R1.283 C=C(C)c1ccccc1NCC 271570a_100000694244_114873767003 [0,2,0,0,0,0|2,0,0]=4 7133 B12R1.283 C=C(C)c1ccccc1NCC 34a_100000037685_100000210202 [0,2,0,0,0,0|2,0,0]=4 7134 B12R1.283 C=C(C)c1ccccc1NCF 34a_100000037685_100015361967 [0,2,0,0,0,0|2,0,0]=4 7135 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,2,0,0,0,0|1,0,0]=3 7136 B12R1.283 C=C(C)c1ccccc1SCC 271570a_100000694244_100000230856 [0,2,0,0,0,0|1,1,0]=4 7137 B12R1.283 C=C(C)c1cccnc1OCC 271570a_100000694244_100011465154 [0,2,0,0,0,0|2,0,0]=4 7138 B12R1.283 C=C(C)c1ncccc1OCC 271570a_100000694244_100011597540 [0,2,0,0,0,0|2,0,0]=4 7139 B12R1.283 C=C=Cc1ccccc1C(=O)C 271570a_100015277604_100000751169 [0,2,0,0,0,0|1,0,1]=4 7140 B12R1.283 C=C=Cc1ccccc1C(=O)N 271570a_100015277604_100000162227 [0,2,0,0,0,0|1,0,1]=4 7141 B12R1.283 C=C=Cc1ccccc1C(C)C 271570a_100015277604_100011218076 [0,2,0,0,0,0|2,0,0]=4 7142 B12R1.283 C=C=Cc1ccccc1C(C)N 271570a_100015277604_100000181357 [0,2,0,0,0,0|2,0,0]=4 7143 B12R1.283 C=C=Cc1ccccc1C(C)O 271570a_100015277604_100000702211 [0,2,0,0,0,0|2,0,0]=4 7144 B12R1.283 C=C=Cc1ccccc1N(C)C 271570a_100015277604_100011290883 [0,2,0,0,0,0|2,0,0]=4 7145 B12R1.283 C=C=Cc1ccccc1S(=O)C 271570a_100015277604_100000734199 [0,2,0,0,0,0|1,1,0]=4 7146 B12R1.283 C=CCc1ccccc1C(=C)C 271570a_100000694244_100009828059 [0,2,0,0,0,0|2,0,0]=4 7147 B12R1.283 CC(=O)c1ccccc1CC#N 1458a_100000010604_200000210301 [0,2,0,0,0,0|1,0,1]=4 7148 B12R1.283 CC(=O)c1ccccc1N=[N+]=[N-] 1458a_100009827904_200000210301 [0,2,0,0,0,0|2,0,0]=4 7149 B12R1.283 CC(=O)c1ccccc1SCF 62a_100000751169_100015361967 [0,2,0,0,0,0|0,1,0]=3 7150 B12R1.283 CC(=O)c1cccnc1SCF 62a_100000753718_100015361967 [0,2,0,0,0,0|1,1,0]=4 7151 B12R1.283 CC(=O)c1cccnc1SCF 62a_100015361967_100000753718 [0,2,0,0,0,0|1,1,0]=4 7152 B12R1.283 CC(=O)c1ccncc1OCF 7a_100009872882_100015361967 [0,2,0,0,0,0|1,0,0]=3 7153 B12R1.283 CC(=O)c1ccncc1SCF 62a_100009993184_100015361967 [0,2,0,0,0,0|1,1,0]=4 7154 B12R1.283 CC(=O)c1ccncc1SCF 62a_100015361967_100009993184 [0,2,0,0,0,0|1,1,0]=4 7155 B12R1.283 CC(=O)c1cnccc1SCF 62a_100015361967_100160469449 [0,2,0,0,0,0|1,1,0]=4 7156 B12R1.283 CC(=O)c1cnccc1SCF 62a_100160469449_100015361967 [0,2,0,0,0,0|1,1,0]=4 7157 B12R1.283 CC(=O)c1ncccc1OCF 34a_100000087166_100015361967 [0,2,0,0,0,0|1,0,0]=3 7158 B12R1.283 CC(=O)c1ncccc1OCF 7a_100000087166_100015361967 [0,2,0,0,0,0|1,0,0]=3 7159 B12R1.283 CC(=O)c1ncccc1SCF 62a_100012348690_100015361967 [0,2,0,0,0,0|1,1,0]=4 7160 B12R1.283 CC(=O)c1ncccc1SCF 62a_100015361967_100012348690 [0,2,0,0,0,0|1,1,0]=4 7161 B12R1.283 CC(C)c1ccccc1OCF 34a_100000211617_100015361967 [0,2,0,0,0,0|1,0,1]=4 7162 B12R1.283 CC(C)c1ccccc1OCF 7a_100000211617_100015361967 [0,2,0,0,0,0|1,0,1]=4 7163 B12R1.283 CC(O)c1ccccc1OCF 34a_200011232679_100015361967 [0,2,0,0,0,0|0,0,2]=4 7164 B12R1.283 CC(O)c1ccccc1OCF 7a_200011232679_100015361967 [0,2,0,0,0,0|0,0,2]=4 7165 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,2,0,0,0,0|1,0,0]=3 7166 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [0,2,0,0,0,0|1,0,0]=3 7167 B12R1.283 CC=Cc1ccccc1C(C)C 271570a_100016259895_100011218076 [0,2,0,0,0,0|2,0,0]=4 7168 B12R1.283 CC=Cc1ccccc1C(C)N 271570a_100016259895_100000181357 [0,2,0,0,0,0|2,0,0]=4 7169 B12R1.283 CC=Cc1ccccc1C(C)O 271570a_100016259895_100000702211 [0,2,0,0,0,0|2,0,0]=4 7170 B12R1.283 CC=Cc1ccccc1N(C)C 271570a_100016259895_100011290883 [0,2,0,0,0,0|2,0,0]=4 7171 B12R1.283 CC=Cc1ccccc1S(=O)C 271570a_100016259895_100000734199 [0,2,0,0,0,0|1,1,0]=4 7172 B12R1.283 CC=Cc1cccnc1C(=O)C 271570a_100016259895_100012348690 [0,2,0,0,0,0|2,0,0]=4 7173 B12R1.283 CC=Cc1cccnc1C(=O)N 271570a_100016259895_200012359670 [0,2,0,0,0,0|2,0,0]=4 7174 B12R1.283 CC=Cc1ccncc1C(=O)C 271570a_100016259895_100160469449 [0,2,0,0,0,0|2,0,0]=4 7175 B12R1.283 CC=Cc1ccncc1C(=O)N 271570a_100016259895_100000697804 [0,2,0,0,0,0|2,0,0]=4 7176 B12R1.283 CC=Cc1cnccc1C(=O)C 271570a_100016259895_100009993184 [0,2,0,0,0,0|2,0,0]=4 7177 B12R1.283 CC=Cc1cnccc1C(=O)N 271570a_100016259895_100010205435 [0,2,0,0,0,0|2,0,0]=4 7178 B12R1.283 CC=Cc1ncccc1C(=O)C 271570a_100016259895_100000753718 [0,2,0,0,0,0|2,0,0]=4 7179 B12R1.283 CC=Cc1ncccc1C(=O)N 271570a_100016259895_100000162199 [0,2,0,0,0,0|2,0,0]=4 7180 B12R1.283 CCNc1ccccc1C(=O)N 34a_100000185089_100000210202 [0,2,0,0,0,0|1,0,0]=3 7181 B12R1.283 CCNc1cccnc1C(=O)N 27a_100015525214_200012359670 [0,2,0,0,0,0|2,0,0]=4 7182 B12R1.283 CCNc1ccncc1C(=O)C 27a_100015525214_100160469449 [0,2,0,0,0,0|2,0,0]=4 7183 B12R1.283 CCNc1ccncc1C(=O)N 27a_100015525214_100000697804 [0,2,0,0,0,0|2,0,0]=4 7184 B12R1.283 CCNc1ncccc1C(=O)C 27a_100015525214_100009816689 [0,2,0,0,0,0|2,0,0]=4 7185 B12R1.283 CCNc1ncccc1C(=O)N 27a_100015525214_100000162199 [0,2,0,0,0,0|2,0,0]=4 7186 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,2,0,0,0,0|0,0,0]=2 7187 B12R1.283 CCOc1ccccc1C(=O)N 34a_100000192804_100000210202 [0,2,0,0,0,0|0,0,0]=2 7188 B12R1.283 CCOc1ccccc1C(=O)N 7a_100000192804_100000210202 [0,2,0,0,0,0|0,0,0]=2 7189 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,2,0,0,0,0|0,0,0]=2 7190 B12R1.283 CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210202 [0,2,0,0,0,0|0,0,0]=2 7191 B12R1.283 CCOc1ccccc1C(=S)N 7a_100000745089_100000210202 [0,2,0,0,0,0|0,1,0]=3 7192 B12R1.283 CCOc1ccccc1C(C)C 34a_100000211617_100000210202 [0,2,0,0,0,0|1,0,1]=4 7193 B12R1.283 CCOc1ccccc1C(C)C 7a_100000211617_100000210202 [0,2,0,0,0,0|1,0,1]=4 7194 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [0,2,0,0,0,0|0,0,2]=4 7195 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [0,2,0,0,0,0|0,0,2]=4 7196 B12R1.283 CCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210202 [0,2,0,0,0,0|1,0,1]=4 7197 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210202 [0,2,0,0,0,0|1,0,0]=3 7198 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210202 [0,2,0,0,0,0|1,0,0]=3 7199 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [0,2,0,0,0,0|1,0,0]=3 7200 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [0,2,0,0,0,0|1,0,0]=3 7201 B12R1.283 CCOc1cccnc1C(=O)N 34a_200011215183_100000210202 [0,2,0,0,0,0|1,0,0]=3 7202 B12R1.283 CCOc1cccnc1C(=O)N 7a_200011215183_100000210202 [0,2,0,0,0,0|1,0,0]=3 7203 B12R1.283 CCOc1cccnc1[N+](=O)[O-] 7a_100000183951_100000210202 [0,2,0,0,0,0|2,0,0]=4 7204 B12R1.283 CCOc1ccncc1C(=O)N 34a_200011998761_100000210202 [0,2,0,0,0,0|1,0,0]=3 7205 B12R1.283 CCOc1cnccc1C(=O)C 7a_100009872882_100000210202 [0,2,0,0,0,0|1,0,0]=3 7206 B12R1.283 CCOc1cnccc1C(=O)N 7a_100012022987_100000210202 [0,2,0,0,0,0|1,0,0]=3 7207 B12R1.283 CCOc1nccnc1C(=O)N 34a_100011830332_100000210202 [0,2,0,0,0,0|2,0,0]=4 7208 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [0,2,0,0,0,0|0,1,0]=3 7209 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [0,2,0,0,0,0|0,1,0]=3 7210 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000162227_100000210202 [0,2,0,0,0,0|0,1,0]=3 7211 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000210202_100000162227 [0,2,0,0,0,0|0,1,0]=3 7212 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [0,2,0,0,0,0|0,1,0]=3 7213 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [0,2,0,0,0,0|0,1,0]=3 7214 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [0,2,0,0,0,0|0,1,0]=3 7215 B12R1.283 CCSc1ccccc1S(=O)C 62a_100000734199_100000210202 [0,2,0,0,0,0|1,1,0]=4 7216 B12R1.283 CCSc1cccnc1C(=O)C 62a_100000210202_100012348690 [0,2,0,0,0,0|1,1,0]=4 7217 B12R1.283 CCSc1cccnc1C(=O)C 62a_100012348690_100000210202 [0,2,0,0,0,0|1,1,0]=4 7218 B12R1.283 CCSc1cccnc1C(=O)N 62a_100000210202_200012359670 [0,2,0,0,0,0|1,1,0]=4 7219 B12R1.283 CCSc1cccnc1C(=O)N 62a_200012359670_100000210202 [0,2,0,0,0,0|1,1,0]=4 7220 B12R1.283 CCSc1ccncc1C(=O)C 62a_100000210202_100160469449 [0,2,0,0,0,0|1,1,0]=4 7221 B12R1.283 CCSc1ccncc1C(=O)C 62a_100160469449_100000210202 [0,2,0,0,0,0|1,1,0]=4 7222 B12R1.283 CCSc1ccncc1C(=O)N 62a_100000210202_100000697804 [0,2,0,0,0,0|1,1,0]=4 7223 B12R1.283 CCSc1ccncc1C(=O)N 62a_100000697804_100000210202 [0,2,0,0,0,0|1,1,0]=4 7224 B12R1.283 CCSc1cnccc1C(=O)C 62a_100000210202_100009993184 [0,2,0,0,0,0|1,1,0]=4 7225 B12R1.283 CCSc1cnccc1C(=O)C 62a_100009993184_100000210202 [0,2,0,0,0,0|1,1,0]=4 7226 B12R1.283 CCSc1cnccc1C(=O)N 62a_100000210202_100010205435 [0,2,0,0,0,0|1,1,0]=4 7227 B12R1.283 CCSc1cnccc1C(=O)N 62a_100010205435_100000210202 [0,2,0,0,0,0|1,1,0]=4 7228 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000210202_100000753718 [0,2,0,0,0,0|1,1,0]=4 7229 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000753718_100000210202 [0,2,0,0,0,0|1,1,0]=4 7230 B12R1.283 CCSc1ncccc1C(=O)N 62a_100000162199_100000210202 [0,2,0,0,0,0|1,1,0]=4 7231 B12R1.283 CCSc1ncccc1C(=O)N 62a_100000210202_100000162199 [0,2,0,0,0,0|1,1,0]=4 7232 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [0,2,0,0,0,0|1,0,0]=3 7233 B12R1.283 CNCc1ccccc1[N+](=O)[O-] 2230a_106832991635_100000181388 [0,2,0,0,0,0|2,0,0]=4 7234 B12R1.283 CNCc1ccccc1[N+](=O)[O-] 270004a_106832991635_100000186027 [0,2,0,0,0,0|2,0,0]=4 7235 B12R1.283 CNCc1ccccc1[N+](=O)[O-] 34a_100102657272_100000181388 [0,2,0,0,0,0|2,0,0]=4 7236 B12R1.283 CNCc1ccccc1[N+](=O)[O-] 7a_106832991635_100000181388 [0,2,0,0,0,0|2,0,0]=4 7237 B12R1.283 COCc1ccccc1B(O)O 34a_100138415774_100009814197 [0,2,0,0,0,0|1,0,1]=4 7238 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [0,2,0,0,0,0|0,0,0]=2 7239 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [0,2,0,0,0,0|0,0,0]=2 7240 B12R1.283 COCc1ccccc1[N+](=O)[O-] 34a_100138415774_100000181388 [0,2,0,0,0,0|1,0,0]=3 7241 B12R1.283 COCc1ccccc1[N+](=O)[O-] 7a_100011218404_200000210301 [0,2,0,0,0,0|1,0,0]=3 7242 B12R1.283 CS(=O)c1ccccc1SCF 62a_100000734199_100015361967 [0,2,0,0,0,0|1,1,0]=4 7243 B12R1.283 CSCc1ccccc1[N+](=O)[O-] 62a_200000210301_100000181388 [0,2,0,0,0,0|1,1,0]=4 7244 B12R1.283 C[C@@H](N)c1ccccc1OCF 34a_100025703389_100015361967 [0,2,0,0,0,0|1,0,1]=4 7245 B12R1.283 NC(=O)c1ccccc1NCF 34a_100000185089_100015361967 [0,2,0,0,0,0|1,0,0]=3 7246 B12R1.283 NC(=O)c1ccccc1OCF 34a_100000192804_100015361967 [0,2,0,0,0,0|0,0,0]=2 7247 B12R1.283 NC(=O)c1ccccc1OCF 7a_100000192804_100015361967 [0,2,0,0,0,0|0,0,0]=2 7248 B12R1.283 NC(=O)c1ccccc1SCF 62a_100000162227_100015361967 [0,2,0,0,0,0|0,1,0]=3 7249 B12R1.283 NC(=O)c1ccccc1SCF 62a_100015361967_100000162227 [0,2,0,0,0,0|0,1,0]=3 7250 B12R1.283 NC(=O)c1cccnc1SCF 62a_100000162199_100015361967 [0,2,0,0,0,0|1,1,0]=4 7251 B12R1.283 NC(=O)c1cccnc1SCF 62a_100015361967_100000162199 [0,2,0,0,0,0|1,1,0]=4 7252 B12R1.283 NC(=O)c1ccncc1OCF 7a_100012022987_100015361967 [0,2,0,0,0,0|1,0,0]=3 7253 B12R1.283 NC(=O)c1ccncc1SCF 62a_100010205435_100015361967 [0,2,0,0,0,0|1,1,0]=4 7254 B12R1.283 NC(=O)c1ccncc1SCF 62a_100015361967_100010205435 [0,2,0,0,0,0|1,1,0]=4 7255 B12R1.283 NC(=O)c1cnccc1OCF 34a_200011998761_100015361967 [0,2,0,0,0,0|1,0,0]=3 7256 B12R1.283 NC(=O)c1cnccc1SCF 62a_100000697804_100015361967 [0,2,0,0,0,0|1,1,0]=4 7257 B12R1.283 NC(=O)c1cnccc1SCF 62a_100015361967_100000697804 [0,2,0,0,0,0|1,1,0]=4 7258 B12R1.283 NC(=O)c1ncccc1OCF 34a_200011215183_100015361967 [0,2,0,0,0,0|1,0,0]=3 7259 B12R1.283 NC(=O)c1ncccc1OCF 7a_200011215183_100015361967 [0,2,0,0,0,0|1,0,0]=3 7260 B12R1.283 NC(=O)c1ncccc1SCF 62a_100015361967_200012359670 [0,2,0,0,0,0|1,1,0]=4 7261 B12R1.283 NC(=O)c1ncccc1SCF 62a_200012359670_100015361967 [0,2,0,0,0,0|1,1,0]=4 7262 B12R1.283 NC(=O)c1nccnc1OCF 34a_100011830332_100015361967 [0,2,0,0,0,0|2,0,0]=4 7263 B12R1.283 NC(=S)c1ccccc1OCF 7a_100000745089_100015361967 [0,2,0,0,0,0|0,1,0]=3 7264 B12R1.283 O=C(O)c1ccccc1SCF 62a_100015361967_100000734275 [0,2,0,0,0,0|0,1,0]=3 7265 B12R1.283 O=C(O)c1ccccc1SCF 62a_202125556159_100015361967 [0,2,0,0,0,0|0,1,0]=3 7266 B12R1.283 O=C([O-])c1ccccc1OCF 7a_100015234032_100015361967 [0,2,0,0,0,0|0,0,0]=2 7267 B12R1.283 O=[N+]([O-])c1ccccc1OCF 34a_100000186319_100015361967 [0,2,0,0,0,0|1,0,0]=3 7268 B12R1.283 O=[N+]([O-])c1ccccc1OCF 7a_100000186319_100015361967 [0,2,0,0,0,0|1,0,0]=3 7269 B12R1.283 O=[N+]([O-])c1ncccc1OCF 7a_100000183951_100015361967 [0,2,0,0,0,0|2,0,0]=4 7270 B12R1.283 [13CH3]C(=O)c1ccccc1CC#N 1458a_100000010604_200025704644 [0,2,0,0,0,0|1,0,1]=4 7271 B12R1.283 [13CH3]C(=O)c1ccccc1N=[N+]=[N-] 1458a_100009827904_200025704644 [0,2,0,0,0,0|2,0,0]=4 7272 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [0,2,0,0,0,0|1,0,0]=3 7273 B12R1.283 [13CH3]OCc1ccccc1[N+](=O)[O-] 7a_100011218404_200025704644 [0,2,0,0,0,0|1,0,0]=3 7274 B12R1.283 [13CH3]SCc1ccccc1[N+](=O)[O-] 62a_200025704644_100000181388 [0,2,0,0,0,0|1,1,0]=4 7275 B12R1.542 C=C=Cc1cccc(c1C=O)C 271570a_100015277604_100000041122 [0,2,0,0,0,0|1,0,1]=4 7276 B12R1.542 C=C=Cc1cccc(c1C=O)Cl 271570a_100015277604_100010147682 [0,2,0,0,0,0|1,0,1]=4 7277 B12R1.542 C=C=Cc1cccc(c1C=O)F 271570a_100015277604_100000210083 [0,2,0,0,0,0|1,0,1]=4 7278 B12R1.542 C=C=Cc1cccc(c1C=O)N 271570a_100015277604_100010232536 [0,2,0,0,0,0|1,0,1]=4 7279 B12R1.542 C=C=Cc1cccc(c1C=O)O 271570a_100015277604_100009814793 [0,2,0,0,0,0|1,0,1]=4 7280 B12R1.542 C=C=Cc1cccc(c1NC)N 271570a_100015277604_100010510394 [0,2,0,0,0,0|2,0,0]=4 7281 B12R1.542 C=C=Cc1cccc(c1OC)Br 271570a_100015277604_100010146560 [0,2,0,0,0,0|1,0,0]=3 7282 B12R1.542 C=C=Cc1cccc(c1OC)C 271570a_100015277604_100010141385 [0,2,0,0,0,0|1,0,0]=3 7283 B12R1.542 C=C=Cc1cccc(c1OC)Cl 271570a_100015277604_100010147678 [0,2,0,0,0,0|1,0,0]=3 7284 B12R1.542 C=C=Cc1cccc(c1OC)F 271570a_100015277604_100009816759 [0,2,0,0,0,0|1,0,0]=3 7285 B12R1.542 C=C=Cc1cccc(c1OC)N 271570a_100015277604_100011935253 [0,2,0,0,0,0|1,0,0]=3 7286 B12R1.542 C=C=Cc1cccc(c1OC)O 271570a_100015277604_100010234590 [0,2,0,0,0,0|1,0,0]=3 7287 B12R1.542 C=C=Cc1cccc(c1SC)F 271570a_100015277604_200010709249 [0,2,0,0,0,0|1,1,0]=4 7288 B12R1.542 C=C=Cc1ccnc(c1OC)C 271570a_100015277604_100000685116 [0,2,0,0,0,0|2,0,0]=4 7289 B12R1.542 C=C=Cc1ccnc(c1OC)Cl 271570a_100015277604_100010068014 [0,2,0,0,0,0|2,0,0]=4 7290 B12R1.542 C=C=Cc1ccnc(c1OC)N 271570a_100015277604_100009880012 [0,2,0,0,0,0|2,0,0]=4 7291 B12R1.542 C=C=Cc1cncc(c1OC)N 271570a_100015277604_100012359933 [0,2,0,0,0,0|2,0,0]=4 7292 B12R1.542 C=C=Cc1nccc(c1OC)N 271570a_100015277604_100000104429 [0,2,0,0,0,0|2,0,0]=4 7293 B12R1.542 C=C=Cc1nccc(c1OC)O 271570a_100015277604_100000104430 [0,2,0,0,0,0|2,0,0]=4 7294 B12R1.542 C=CCc1cccc(c1OC)C 34a_200011218211_200000210301 [0,2,0,0,0,0|1,0,0]=3 7295 B12R1.542 C=CCc1cccc(c1OC)C 7a_200011218211_200000210301 [0,2,0,0,0,0|1,0,0]=3 7296 B12R1.542 C=CCc1cccc(c1O[13CH3])C 34a_200011218211_200025704644 [0,2,0,0,0,0|1,0,0]=3 7297 B12R1.542 C=CCc1cccc(c1O[13CH3])C 7a_200011218211_200025704644 [0,2,0,0,0,0|1,0,0]=3 7298 B12R1.542 CC=Cc1cccc(c1C=O)C 271570a_100016259895_100000041122 [0,2,0,0,0,0|1,0,0]=3 7299 B12R1.542 CC=Cc1cccc(c1C=O)Cl 271570a_100016259895_100010147682 [0,2,0,0,0,0|1,0,0]=3 7300 B12R1.542 CC=Cc1cccc(c1C=O)F 271570a_100016259895_100000210083 [0,2,0,0,0,0|1,0,0]=3 7301 B12R1.542 CC=Cc1cccc(c1C=O)N 271570a_100016259895_100010232536 [0,2,0,0,0,0|1,0,0]=3 7302 B12R1.542 CC=Cc1cccc(c1C=O)O 271570a_100016259895_100009814793 [0,2,0,0,0,0|1,0,0]=3 7303 B12R1.542 CC=Cc1cccc(c1NC)N 271570a_100016259895_100010510394 [0,2,0,0,0,0|2,0,0]=4 7304 B12R1.542 CC=Cc1cccc(c1OC)Br 271570a_100016259895_100010146560 [0,2,0,0,0,0|1,0,0]=3 7305 B12R1.542 CC=Cc1cccc(c1OC)C 271570a_100016259895_100010141385 [0,2,0,0,0,0|1,0,0]=3 7306 B12R1.542 CC=Cc1cccc(c1OC)Cl 271570a_100016259895_100010147678 [0,2,0,0,0,0|1,0,0]=3 7307 B12R1.542 CC=Cc1cccc(c1OC)F 271570a_100016259895_100009816759 [0,2,0,0,0,0|1,0,0]=3 7308 B12R1.542 CC=Cc1cccc(c1OC)N 271570a_100016259895_100011935253 [0,2,0,0,0,0|1,0,0]=3 7309 B12R1.542 CC=Cc1cccc(c1OC)O 271570a_100016259895_100010234590 [0,2,0,0,0,0|1,0,0]=3 7310 B12R1.542 CC=Cc1cccc(c1SC)F 271570a_100016259895_200010709249 [0,2,0,0,0,0|1,1,0]=4 7311 B12R1.542 CC=Cc1ccnc(c1C=O)Cl 271570a_100016259895_100000047006 [0,2,0,0,0,0|2,0,0]=4 7312 B12R1.542 CC=Cc1ccnc(c1C=O)F 271570a_100016259895_100009828249 [0,2,0,0,0,0|2,0,0]=4 7313 B12R1.542 CC=Cc1ccnc(c1C=O)N 271570a_100016259895_100009843235 [0,2,0,0,0,0|2,0,0]=4 7314 B12R1.542 CC=Cc1ccnc(c1OC)C 271570a_100016259895_100000685116 [0,2,0,0,0,0|2,0,0]=4 7315 B12R1.542 CC=Cc1ccnc(c1OC)Cl 271570a_100016259895_100010068014 [0,2,0,0,0,0|2,0,0]=4 7316 B12R1.542 CC=Cc1ccnc(c1OC)N 271570a_100016259895_100009880012 [0,2,0,0,0,0|2,0,0]=4 7317 B12R1.542 CC=Cc1cncc(c1C=O)F 271570a_100016259895_100010064882 [0,2,0,0,0,0|2,0,0]=4 7318 B12R1.542 CC=Cc1cncc(c1OC)N 271570a_100016259895_100012359933 [0,2,0,0,0,0|2,0,0]=4 7319 B12R1.542 CC=Cc1nccc(c1C=O)O 271570a_100016259895_200010729673 [0,2,0,0,0,0|2,0,0]=4 7320 B12R1.542 CC=Cc1nccc(c1OC)N 271570a_100016259895_100000104429 [0,2,0,0,0,0|2,0,0]=4 7321 B12R1.542 CC=Cc1nccc(c1OC)O 271570a_100016259895_100000104430 [0,2,0,0,0,0|2,0,0]=4 7322 B12R1.542 CCNc1cccc(c1OC)Br 34a_100011935253_100000210202 [0,2,0,0,0,0|1,0,1]=4 7323 B12R1.542 CCNc1cccc(c1OC)C 34a_100012017360_100000210202 [0,2,0,0,0,0|1,0,1]=4 7324 B12R1.542 CCNc1cccc(c1OC)Cl 2230a_100000743799_100000210202 [0,2,0,0,0,0|1,0,1]=4 7325 B12R1.542 CCNc1cccc(c1OC)Cl 34a_100000743799_100000210202 [0,2,0,0,0,0|1,0,1]=4 7326 B12R1.542 CCNc1cccc(c1OC)F 34a_100011215007_100000210202 [0,2,0,0,0,0|1,0,1]=4 7327 B12R1.542 CCNc1ccnc(c1C=O)F 27a_100015525214_100009877353 [0,2,0,0,0,0|2,0,0]=4 7328 B12R1.542 CCOc1cccc(c1C#N)Br 34a_100012180507_100000210202 [0,2,0,0,0,0|1,0,1]=4 7329 B12R1.542 CCOc1cccc(c1C#N)Br 7a_100012180507_100000210202 [0,2,0,0,0,0|1,0,1]=4 7330 B12R1.542 CCOc1cccc(c1C#N)C 34a_100000079363_100000210202 [0,2,0,0,0,0|1,0,1]=4 7331 B12R1.542 CCOc1cccc(c1C#N)C 7a_100000079363_100000210202 [0,2,0,0,0,0|1,0,1]=4 7332 B12R1.542 CCOc1cccc(c1C#N)Cl 34a_100000764475_100000210202 [0,2,0,0,0,0|1,0,1]=4 7333 B12R1.542 CCOc1cccc(c1C#N)Cl 7a_100000764475_100000210202 [0,2,0,0,0,0|1,0,1]=4 7334 B12R1.542 CCOc1cccc(c1C#N)F 34a_100000741147_100000210202 [0,2,0,0,0,0|1,0,1]=4 7335 B12R1.542 CCOc1cccc(c1C#N)F 7a_100000741147_100000210202 [0,2,0,0,0,0|1,0,1]=4 7336 B12R1.542 CCOc1cccc(c1CO)C 34a_200009874777_100000210202 [0,2,0,0,0,0|0,0,2]=4 7337 B12R1.542 CCOc1cccc(c1CO)C 7a_200009874777_100000210202 [0,2,0,0,0,0|0,0,2]=4 7338 B12R1.542 CCOc1cccc(c1NC)Br 34a_200103155331_200000210301 [0,2,0,0,0,0|2,0,0]=4 7339 B12R1.542 CCOc1cccc(c1NC)Cl 34a_100012284057_200000210301 [0,2,0,0,0,0|2,0,0]=4 7340 B12R1.542 CCOc1cccc(c1N[13CH3])Br 34a_200103155331_200025704644 [0,2,0,0,0,0|2,0,0]=4 7341 B12R1.542 CCOc1cccc(c1N[13CH3])Cl 34a_100012284057_200025704644 [0,2,0,0,0,0|2,0,0]=4 7342 B12R1.542 CCOc1cccc(c1OC)Br 34a_100010234590_100000210202 [0,2,0,0,0,0|1,0,1]=4 7343 B12R1.542 CCOc1cccc(c1OC)Cl 34a_200009886253_100000210202 [0,2,0,0,0,0|1,0,1]=4 7344 B12R1.542 CCOc1cccc(c1OC)Cl 7a_200009886253_100000210202 [0,2,0,0,0,0|1,0,1]=4 7345 B12R1.542 CCOc1cccc(c1SC)C 34a_200000099257_100000210202 [0,2,0,0,0,0|2,0,0]=4 7346 B12R1.542 CCOc1cccc(c1SC)C 7a_200000099257_100000210202 [0,2,0,0,0,0|2,0,0]=4 7347 B12R1.542 CCSc1cccc(c1C=O)C 62a_100000041122_100000210202 [0,2,0,0,0,0|0,1,0]=3 7348 B12R1.542 CCSc1cccc(c1C=O)C 62a_100000210202_100000041122 [0,2,0,0,0,0|0,1,0]=3 7349 B12R1.542 CCSc1cccc(c1C=O)Cl 62a_100000210202_100010147682 [0,2,0,0,0,0|0,1,0]=3 7350 B12R1.542 CCSc1cccc(c1C=O)Cl 62a_100010147682_100000210202 [0,2,0,0,0,0|0,1,0]=3 7351 B12R1.542 CCSc1cccc(c1C=O)F 62a_100000210083_100000210202 [0,2,0,0,0,0|0,1,0]=3 7352 B12R1.542 CCSc1cccc(c1C=O)F 62a_100000210202_100000210083 [0,2,0,0,0,0|0,1,0]=3 7353 B12R1.542 CCSc1cccc(c1C=O)N 62a_100010232536_100000210202 [0,2,0,0,0,0|0,1,0]=3 7354 B12R1.542 CCSc1cccc(c1C=O)O 62a_100000210202_100010193437 [0,2,0,0,0,0|0,1,0]=3 7355 B12R1.542 CCSc1cccc(c1OC)Br 62a_100000210202_100010146560 [0,2,0,0,0,0|1,0,1]=4 7356 B12R1.542 CCSc1cccc(c1OC)Br 62a_100010146560_100000210202 [0,2,0,0,0,0|1,0,1]=4 7357 B12R1.542 CCSc1cccc(c1OC)C 62a_100000210202_100010141385 [0,2,0,0,0,0|1,0,1]=4 7358 B12R1.542 CCSc1cccc(c1OC)C 62a_100010141385_100000210202 [0,2,0,0,0,0|1,0,1]=4 7359 B12R1.542 CCSc1cccc(c1OC)Cl 62a_100000210202_100010147678 [0,2,0,0,0,0|1,0,1]=4 7360 B12R1.542 CCSc1cccc(c1OC)Cl 62a_100010147678_100000210202 [0,2,0,0,0,0|1,0,1]=4 7361 B12R1.542 CCSc1cccc(c1OC)F 62a_100000210202_100009816759 [0,2,0,0,0,0|1,0,1]=4 7362 B12R1.542 CCSc1cccc(c1OC)F 62a_100009816759_100000210202 [0,2,0,0,0,0|1,0,1]=4 7363 B12R1.542 CCSc1cccc(c1OC)N 62a_100011935253_100000210202 [0,2,0,0,0,0|1,0,1]=4 7364 B12R1.542 CCSc1cccc(c1OC)O 62a_100000210202_100010234590 [0,2,0,0,0,0|1,0,1]=4 7365 B12R1.542 CCSc1ccnc(c1C=O)Cl 62a_100000047006_100000210202 [0,2,0,0,0,0|1,1,0]=4 7366 B12R1.542 CCSc1ccnc(c1C=O)Cl 62a_100000210202_100000047006 [0,2,0,0,0,0|1,1,0]=4 7367 B12R1.542 CCSc1ccnc(c1C=O)F 62a_100000210202_100009828249 [0,2,0,0,0,0|1,1,0]=4 7368 B12R1.542 CCSc1ccnc(c1C=O)F 62a_100009828249_100000210202 [0,2,0,0,0,0|1,1,0]=4 7369 B12R1.542 CCSc1ccnc(c1C=O)N 62a_100009843235_100000210202 [0,2,0,0,0,0|1,1,0]=4 7370 B12R1.542 CCSc1cncc(c1C=O)F 62a_100000210202_100010064882 [0,2,0,0,0,0|1,1,0]=4 7371 B12R1.542 CCSc1cncc(c1C=O)F 62a_100010064882_100000210202 [0,2,0,0,0,0|1,1,0]=4 7372 B12R1.542 CCSc1nccc(c1C=O)N 62a_100000050385_100000210202 [0,2,0,0,0,0|1,1,0]=4 7373 B12R1.542 CCSc1nccc(c1C=O)N 62a_100000210202_100000050385 [0,2,0,0,0,0|1,1,0]=4 7374 B12R1.542 CCSc1nccc(c1C=O)O 62a_200010729673_100000210202 [0,2,0,0,0,0|1,1,0]=4 7375 B12R1.542 CNCc1cccc(c1OC)Br 207a_100102657272_100000692592 [0,2,0,0,0,0|1,0,1]=4 7376 B12R1.542 CNCc1cccc(c1OC)Br 2230a_106832991635_100011470457 [0,2,0,0,0,0|1,0,1]=4 7377 B12R1.542 CNCc1cccc(c1OC)Br 26a_100102657272_100010234590 [0,2,0,0,0,0|1,0,1]=4 7378 B12R1.542 CNCc1cccc(c1OC)Br 270004a_106832991635_100000692592 [0,2,0,0,0,0|1,0,1]=4 7379 B12R1.542 CNCc1cccc(c1OC)Br 34a_100102657272_100011470457 [0,2,0,0,0,0|1,0,1]=4 7380 B12R1.542 CNCc1cccc(c1OC)Br 7a_106832991635_100011470457 [0,2,0,0,0,0|1,0,1]=4 7381 B12R1.542 CNCc1cccc(c1OC)C 207a_100102657272_100011361485 [0,2,0,0,0,0|1,0,1]=4 7382 B12R1.542 CNCc1cccc(c1OC)C 2230a_106832991635_100012349798 [0,2,0,0,0,0|1,0,1]=4 7383 B12R1.542 CNCc1cccc(c1OC)C 270004a_106832991635_100011361485 [0,2,0,0,0,0|1,0,1]=4 7384 B12R1.542 CNCc1cccc(c1OC)C 34a_100102657272_100012349798 [0,2,0,0,0,0|1,0,1]=4 7385 B12R1.542 CNCc1cccc(c1OC)C 7a_106832991635_100012349798 [0,2,0,0,0,0|1,0,1]=4 7386 B12R1.542 CNCc1cccc(c1OC)Cl 207a_100102657272_100011466644 [0,2,0,0,0,0|1,0,1]=4 7387 B12R1.542 CNCc1cccc(c1OC)Cl 26a_100102657272_200009886253 [0,2,0,0,0,0|1,0,1]=4 7388 B12R1.542 CNCc1cccc(c1OC)Cl 270004a_106832991635_100011466644 [0,2,0,0,0,0|1,0,1]=4 7389 B12R1.542 CNCc1cccc(c1OC)F 207a_100102657272_100011830294 [0,2,0,0,0,0|1,0,1]=4 7390 B12R1.542 CNCc1cccc(c1OC)F 270004a_106832991635_100011830294 [0,2,0,0,0,0|1,0,1]=4 7391 B12R1.542 CNCc1cccc(c1OC)F 34a_100137345168_200000210301 [0,2,0,0,0,0|1,0,1]=4 7392 B12R1.542 COCc1cccc(c1C#N)Br 34a_100138415774_200010145453 [0,2,0,0,0,0|1,0,1]=4 7393 B12R1.542 COCc1cccc(c1C#N)F 34a_100138415774_100000707650 [0,2,0,0,0,0|1,0,1]=4 7394 B12R1.542 COCc1cccc(c1OC)Br 34a_100000704359_200000210301 [0,2,0,0,0,0|0,0,2]=4 7395 B12R1.542 COCc1cccc(c1OC)Br 34a_100138415774_100011470457 [0,2,0,0,0,0|0,0,2]=4 7396 B12R1.542 COCc1cccc(c1OC)Br 7a_100000704359_200000210301 [0,2,0,0,0,0|0,0,2]=4 7397 B12R1.542 COCc1cccc(c1OC)C 34a_100012184769_200000210301 [0,2,0,0,0,0|0,0,2]=4 7398 B12R1.542 COCc1cccc(c1OC)C 34a_100138415774_100012349798 [0,2,0,0,0,0|0,0,2]=4 7399 B12R1.542 COCc1cccc(c1OC)C 7a_100012184769_200000210301 [0,2,0,0,0,0|0,0,2]=4 7400 B12R1.542 COCc1cccc(c1OC)F 34a_100011830279_200000210301 [0,2,0,0,0,0|0,0,2]=4 7401 B12R1.542 COCc1cccc(c1OC)F 7a_100011830279_200000210301 [0,2,0,0,0,0|0,0,2]=4 7402 B12R1.542 COc1c(cccc1CC#N)O 271570a_203496583355_100010146820 [0,2,0,0,0,0|1,0,1]=4 7403 B12R1.542 COc1c(cccc1CN[13CH3])F 34a_100137345168_200025704644 [0,2,0,0,0,0|1,0,1]=4 7404 B12R1.542 COc1c(cccc1CO[13CH3])Br 34a_100000704359_200025704644 [0,2,0,0,0,0|0,0,2]=4 7405 B12R1.542 COc1c(cccc1CO[13CH3])Br 7a_100000704359_200025704644 [0,2,0,0,0,0|0,0,2]=4 7406 B12R1.542 COc1c(cccc1CO[13CH3])C 34a_100012184769_200025704644 [0,2,0,0,0,0|0,0,2]=4 7407 B12R1.542 COc1c(cccc1CO[13CH3])C 7a_100012184769_200025704644 [0,2,0,0,0,0|0,0,2]=4 7408 B12R1.542 COc1c(cccc1CO[13CH3])F 34a_100011830279_200025704644 [0,2,0,0,0,0|0,0,2]=4 7409 B12R1.542 COc1c(cccc1CO[13CH3])F 7a_100011830279_200025704644 [0,2,0,0,0,0|0,0,2]=4 7410 B12R1.542 COc1c(cccc1CSC)Br 62a_100011470457_200000210301 [0,2,0,0,0,0|0,1,1]=4 7411 B12R1.542 COc1c(cccc1CSC)Br 62a_200000210301_100011470457 [0,2,0,0,0,0|0,1,1]=4 7412 B12R1.542 COc1c(cccc1CSC)C 62a_100012349798_200000210301 [0,2,0,0,0,0|0,1,1]=4 7413 B12R1.542 COc1c(cccc1CSC)C 62a_200000210301_100012349798 [0,2,0,0,0,0|0,1,1]=4 7414 B12R1.542 COc1c(cccc1CS[13CH3])Br 62a_100011470457_200025704644 [0,2,0,0,0,0|0,1,1]=4 7415 B12R1.542 COc1c(cccc1CS[13CH3])Br 62a_200025704644_100011470457 [0,2,0,0,0,0|0,1,1]=4 7416 B12R1.542 COc1c(cccc1CS[13CH3])C 62a_100012349798_200025704644 [0,2,0,0,0,0|0,1,1]=4 7417 B12R1.542 COc1c(cccc1CS[13CH3])C 62a_200025704644_100012349798 [0,2,0,0,0,0|0,1,1]=4 7418 B12R1.542 COc1c(cccc1NCF)Br 34a_100011935253_100015361967 [0,2,0,0,0,0|1,0,1]=4 7419 B12R1.542 COc1c(cccc1NCF)C 34a_100012017360_100015361967 [0,2,0,0,0,0|1,0,1]=4 7420 B12R1.542 COc1c(cccc1NCF)Cl 34a_100000743799_100015361967 [0,2,0,0,0,0|1,0,1]=4 7421 B12R1.542 COc1c(cccc1NCF)F 34a_100011215007_100015361967 [0,2,0,0,0,0|1,0,1]=4 7422 B12R1.542 COc1c(cccc1OCF)Br 34a_100010234590_100015361967 [0,2,0,0,0,0|1,0,1]=4 7423 B12R1.542 COc1c(cccc1OCF)Cl 34a_200009886253_100015361967 [0,2,0,0,0,0|1,0,1]=4 7424 B12R1.542 COc1c(cccc1OCF)Cl 7a_200009886253_100015361967 [0,2,0,0,0,0|1,0,1]=4 7425 B12R1.542 COc1c(cccc1SCF)Br 62a_100010146560_100015361967 [0,2,0,0,0,0|1,0,1]=4 7426 B12R1.542 COc1c(cccc1SCF)Br 62a_100015361967_100010146560 [0,2,0,0,0,0|1,0,1]=4 7427 B12R1.542 COc1c(cccc1SCF)C 62a_100010141385_100015361967 [0,2,0,0,0,0|1,0,1]=4 7428 B12R1.542 COc1c(cccc1SCF)C 62a_100015361967_100010141385 [0,2,0,0,0,0|1,0,1]=4 7429 B12R1.542 COc1c(cccc1SCF)Cl 62a_100010147678_100015361967 [0,2,0,0,0,0|1,0,1]=4 7430 B12R1.542 COc1c(cccc1SCF)Cl 62a_100015361967_100010147678 [0,2,0,0,0,0|1,0,1]=4 7431 B12R1.542 COc1c(cccc1SCF)F 62a_100009816759_100015361967 [0,2,0,0,0,0|1,0,1]=4 7432 B12R1.542 COc1c(cccc1SCF)F 62a_100015361967_100009816759 [0,2,0,0,0,0|1,0,1]=4 7433 B12R1.542 COc1c(cccc1SCF)N 62a_100011935253_100015361967 [0,2,0,0,0,0|1,0,1]=4 7434 B12R1.542 COc1c(cccc1SCF)O 62a_100015361967_100010234590 [0,2,0,0,0,0|1,0,1]=4 7435 B12R1.542 CSc1c(cccc1OCF)C 34a_200000099257_100015361967 [0,2,0,0,0,0|2,0,0]=4 7436 B12R1.542 CSc1c(cccc1OCF)C 7a_200000099257_100015361967 [0,2,0,0,0,0|2,0,0]=4 7437 B12R1.542 Cc1cccc(c1C#N)OCF 34a_100000079363_100015361967 [0,2,0,0,0,0|1,0,1]=4 7438 B12R1.542 Cc1cccc(c1C#N)OCF 7a_100000079363_100015361967 [0,2,0,0,0,0|1,0,1]=4 7439 B12R1.542 Cc1cccc(c1C=O)SCF 62a_100000041122_100015361967 [0,2,0,0,0,0|0,1,0]=3 7440 B12R1.542 Cc1cccc(c1C=O)SCF 62a_100015361967_100000041122 [0,2,0,0,0,0|0,1,0]=3 7441 B12R1.542 Cc1cccc(c1CO)OCF 34a_200009874777_100015361967 [0,2,0,0,0,0|0,0,2]=4 7442 B12R1.542 Cc1cccc(c1CO)OCF 7a_200009874777_100015361967 [0,2,0,0,0,0|0,0,2]=4 7443 B12R1.542 N#Cc1c(cccc1OCF)Br 34a_100012180507_100015361967 [0,2,0,0,0,0|1,0,1]=4 7444 B12R1.542 N#Cc1c(cccc1OCF)Br 7a_100012180507_100015361967 [0,2,0,0,0,0|1,0,1]=4 7445 B12R1.542 N#Cc1c(cccc1OCF)Cl 34a_100000764475_100015361967 [0,2,0,0,0,0|1,0,1]=4 7446 B12R1.542 N#Cc1c(cccc1OCF)Cl 7a_100000764475_100015361967 [0,2,0,0,0,0|1,0,1]=4 7447 B12R1.542 N#Cc1c(cccc1OCF)F 34a_100000741147_100015361967 [0,2,0,0,0,0|1,0,1]=4 7448 B12R1.542 N#Cc1c(cccc1OCF)F 7a_100000741147_100015361967 [0,2,0,0,0,0|1,0,1]=4 7449 B12R1.542 Nc1cccc(c1C=O)SCF 62a_100010232536_100015361967 [0,2,0,0,0,0|0,1,0]=3 7450 B12R1.542 Nc1ccnc(c1C=O)SCF 62a_100000050385_100015361967 [0,2,0,0,0,0|1,1,0]=4 7451 B12R1.542 Nc1ccnc(c1C=O)SCF 62a_100015361967_100000050385 [0,2,0,0,0,0|1,1,0]=4 7452 B12R1.542 Nc1nccc(c1C=O)SCF 62a_100009843235_100015361967 [0,2,0,0,0,0|1,1,0]=4 7453 B12R1.542 O=Cc1c(cccc1SCF)Cl 62a_100010147682_100015361967 [0,2,0,0,0,0|0,1,0]=3 7454 B12R1.542 O=Cc1c(cccc1SCF)Cl 62a_100015361967_100010147682 [0,2,0,0,0,0|0,1,0]=3 7455 B12R1.542 O=Cc1c(cccc1SCF)F 62a_100000210083_100015361967 [0,2,0,0,0,0|0,1,0]=3 7456 B12R1.542 O=Cc1c(cccc1SCF)F 62a_100015361967_100000210083 [0,2,0,0,0,0|0,1,0]=3 7457 B12R1.542 O=Cc1c(cccc1SCF)O 62a_100015361967_100010193437 [0,2,0,0,0,0|0,1,0]=3 7458 B12R1.542 O=Cc1c(ccnc1Cl)SCF 62a_100000047006_100015361967 [0,2,0,0,0,0|1,1,0]=4 7459 B12R1.542 O=Cc1c(ccnc1Cl)SCF 62a_100015361967_100000047006 [0,2,0,0,0,0|1,1,0]=4 7460 B12R1.542 O=Cc1c(ccnc1F)SCF 62a_100009828249_100015361967 [0,2,0,0,0,0|1,1,0]=4 7461 B12R1.542 O=Cc1c(ccnc1F)SCF 62a_100015361967_100009828249 [0,2,0,0,0,0|1,1,0]=4 7462 B12R1.542 O=Cc1c(ccnc1SCF)O 62a_200010729673_100015361967 [0,2,0,0,0,0|1,1,0]=4 7463 B12R1.542 O=Cc1c(cncc1SCF)F 62a_100010064882_100015361967 [0,2,0,0,0,0|1,1,0]=4 7464 B12R1.542 O=Cc1c(cncc1SCF)F 62a_100015361967_100010064882 [0,2,0,0,0,0|1,1,0]=4 7465 B12R1.1112 C=C=Cc1c(cccc1C=O)F 271570a_100015277604_100011998484 [0,2,0,0,0,0|1,0,1]=4 7466 B12R1.1112 C=C=Cc1c(cccc1C=O)O 271570a_100015277604_100009816417 [0,2,0,0,0,0|1,0,1]=4 7467 B12R1.1112 C=C=Cc1c(cccc1CC)C 271570a_100015277604_100000036235 [0,2,0,0,0,0|2,0,0]=4 7468 B12R1.1112 C=C=Cc1c(cccc1OC)Br 271570a_100015277604_100010131421 [0,2,0,0,0,0|1,0,0]=3 7469 B12R1.1112 C=C=Cc1c(cccc1OC)F 271570a_100015277604_100000041735 [0,2,0,0,0,0|1,0,0]=3 7470 B12R1.1112 C=C=Cc1c(cccc1OC)N 271570a_100015277604_100000703447 [0,2,0,0,0,0|1,0,0]=3 7471 B12R1.1112 C=C=Cc1c(cccc1OC)O 271570a_100015277604_100010202623 [0,2,0,0,0,0|1,0,0]=3 7472 B12R1.1112 C=C=Cc1c(ccnc1OC)C 271570a_100015277604_100012353928 [0,2,0,0,0,0|2,0,0]=4 7473 B12R1.1112 C=C=Cc1c(ccnc1OC)N 271570a_100015277604_100010243811 [0,2,0,0,0,0|2,0,0]=4 7474 B12R1.1112 C=Cc1cccc(c1CNC)F 271570a_100011290941_106744473292 [0,2,0,0,0,0|2,0,0]=4 7475 B12R1.1112 C=Cc1cccc(c1OCC)F 271570a_100011290941_100010232518 [0,2,0,0,0,0|1,0,0]=3 7476 B12R1.1112 CC=Cc1c(cccc1C=O)F 271570a_100016259895_100011998484 [0,2,0,0,0,0|1,0,0]=3 7477 B12R1.1112 CC=Cc1c(cccc1C=O)O 271570a_100016259895_100009816417 [0,2,0,0,0,0|1,0,0]=3 7478 B12R1.1112 CC=Cc1c(cccc1CC)C 271570a_100016259895_100000036235 [0,2,0,0,0,0|2,0,0]=4 7479 B12R1.1112 CC=Cc1c(cccc1OC)Br 271570a_100016259895_100010131421 [0,2,0,0,0,0|1,0,0]=3 7480 B12R1.1112 CC=Cc1c(cccc1OC)F 271570a_100016259895_100000041735 [0,2,0,0,0,0|1,0,0]=3 7481 B12R1.1112 CC=Cc1c(cccc1OC)N 271570a_100016259895_100000703447 [0,2,0,0,0,0|1,0,0]=3 7482 B12R1.1112 CC=Cc1c(cccc1OC)O 271570a_100016259895_100010202623 [0,2,0,0,0,0|1,0,0]=3 7483 B12R1.1112 CC=Cc1c(ccnc1F)C=O 271570a_100016259895_100009856171 [0,2,0,0,0,0|2,0,0]=4 7484 B12R1.1112 CC=Cc1c(ccnc1OC)C 271570a_100016259895_100012353928 [0,2,0,0,0,0|2,0,0]=4 7485 B12R1.1112 CC=Cc1c(ccnc1OC)N 271570a_100016259895_100010243811 [0,2,0,0,0,0|2,0,0]=4 7486 B12R1.1112 CCNc1c(cccc1OC)Br 34a_100000708083_100000210202 [0,2,0,0,0,0|1,0,1]=4 7487 B12R1.1112 CCNc1c(cccc1OC)C 2230a_100000758225_100000210202 [0,2,0,0,0,0|1,0,1]=4 7488 B12R1.1112 CCNc1c(cccc1OC)C 34a_100000758225_100000210202 [0,2,0,0,0,0|1,0,1]=4 7489 B12R1.1112 CCNc1c(cccc1OC)Cl 34a_100011309317_100000210202 [0,2,0,0,0,0|1,0,1]=4 7490 B12R1.1112 CCNc1c(cccc1OC)F 34a_100000686744_100000210202 [0,2,0,0,0,0|1,0,1]=4 7491 B12R1.1112 CCNc1c(cccc1OC)O 34a_100012022766_100000210202 [0,2,0,0,0,0|1,0,1]=4 7492 B12R1.1112 CCOc1c(cccc1C#N)Br 34a_100009817103_100000210202 [0,2,0,0,0,0|1,0,1]=4 7493 B12R1.1112 CCOc1c(cccc1C#N)C 34a_100011659161_100000210202 [0,2,0,0,0,0|1,0,1]=4 7494 B12R1.1112 CCOc1c(cccc1C#N)C 7a_100011659161_100000210202 [0,2,0,0,0,0|1,0,1]=4 7495 B12R1.1112 CCOc1c(cccc1C#N)Cl 34a_100009866432_100000210202 [0,2,0,0,0,0|1,0,1]=4 7496 B12R1.1112 CCOc1c(cccc1C#N)Cl 7a_100009866432_100000210202 [0,2,0,0,0,0|1,0,1]=4 7497 B12R1.1112 CCOc1c(cccc1C#N)F 34a_100000117915_100000210202 [0,2,0,0,0,0|1,0,1]=4 7498 B12R1.1112 CCOc1c(cccc1C#N)F 7a_100000117915_100000210202 [0,2,0,0,0,0|1,0,1]=4 7499 B12R1.1112 CCOc1c(cccc1CC)Br 34a_200010001580_100000210202 [0,2,0,0,0,0|1,0,1]=4 7500 B12R1.1112 CCOc1c(cccc1CC)Br 7a_200010001580_100000210202 [0,2,0,0,0,0|1,0,1]=4 7501 B12R1.1112 CCOc1c(cccc1CC)C 34a_100000034007_100000210202 [0,2,0,0,0,0|1,0,1]=4 7502 B12R1.1112 CCOc1c(cccc1CC)C 7a_100000034007_100000210202 [0,2,0,0,0,0|1,0,1]=4 7503 B12R1.1112 CCOc1c(cccc1CN)C 34a_100020639391_100000210202 [0,2,0,0,0,0|1,0,1]=4 7504 B12R1.1112 CCOc1c(cccc1CO)F 34a_100011997349_100000210202 [0,2,0,0,0,0|0,0,2]=4 7505 B12R1.1112 CCOc1c(cccc1CO)F 7a_100011997349_100000210202 [0,2,0,0,0,0|0,0,2]=4 7506 B12R1.1112 CCOc1c(cccc1NC)Cl 2230a_100000744310_200000210301 [0,2,0,0,0,0|2,0,0]=4 7507 B12R1.1112 CCOc1c(cccc1NC)Cl 34a_100000744310_200000210301 [0,2,0,0,0,0|2,0,0]=4 7508 B12R1.1112 CCOc1c(cccc1N[13CH3])Cl 2230a_100000744310_200025704644 [0,2,0,0,0,0|2,0,0]=4 7509 B12R1.1112 CCOc1c(cccc1N[13CH3])Cl 34a_100000744310_200025704644 [0,2,0,0,0,0|2,0,0]=4 7510 B12R1.1112 CCOc1c(cccc1OC)Br 34a_100000686866_100000210202 [0,2,0,0,0,0|1,0,1]=4 7511 B12R1.1112 CCOc1c(cccc1OC)C 34a_100011219253_100000210202 [0,2,0,0,0,0|1,0,1]=4 7512 B12R1.1112 CCOc1c(cccc1OC)C 7a_100011219253_100000210202 [0,2,0,0,0,0|1,0,1]=4 7513 B12R1.1112 CCOc1c(cccc1OC)Cl 34a_100009851661_100000210202 [0,2,0,0,0,0|1,0,1]=4 7514 B12R1.1112 CCOc1c(cccc1OC)Cl 7a_100009851661_100000210202 [0,2,0,0,0,0|1,0,1]=4 7515 B12R1.1112 CCOc1c(cccc1OC)F 34a_100000036725_100000210202 [0,2,0,0,0,0|1,0,1]=4 7516 B12R1.1112 CCOc1c(cccc1OC)F 7a_100000036725_100000210202 [0,2,0,0,0,0|1,0,1]=4 7517 B12R1.1112 CCOc1c(cccc1OC)N 34a_100000123586_100000210202 [0,2,0,0,0,0|1,0,1]=4 7518 B12R1.1112 CCOc1c(cccc1SC)F 62a_100010232518_200000210301 [0,2,0,0,0,0|2,0,0]=4 7519 B12R1.1112 CCOc1c(cccc1SC)F 62a_200000210301_100010232518 [0,2,0,0,0,0|2,0,0]=4 7520 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_100010232518_200025704644 [0,2,0,0,0,0|2,0,0]=4 7521 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_200025704644_100010232518 [0,2,0,0,0,0|2,0,0]=4 7522 B12R1.1112 CCSc1c(cccc1C=O)C 62a_100000210202_100012186367 [0,2,0,0,0,0|0,1,0]=3 7523 B12R1.1112 CCSc1c(cccc1C=O)C 62a_100012186367_100000210202 [0,2,0,0,0,0|0,1,0]=3 7524 B12R1.1112 CCSc1c(cccc1C=O)F 62a_100000210202_100011934749 [0,2,0,0,0,0|0,1,0]=3 7525 B12R1.1112 CCSc1c(cccc1C=O)F 62a_100011934749_100000210202 [0,2,0,0,0,0|0,1,0]=3 7526 B12R1.1112 CCSc1c(cccc1C=O)O 62a_100000210202_100009816417 [0,2,0,0,0,0|0,1,0]=3 7527 B12R1.1112 CCSc1c(cccc1C=O)O 62a_100009816417_100000210202 [0,2,0,0,0,0|0,1,0]=3 7528 B12R1.1112 CCSc1c(cccc1OC)Br 62a_100000210202_100010131421 [0,2,0,0,0,0|1,0,1]=4 7529 B12R1.1112 CCSc1c(cccc1OC)Br 62a_100010131421_100000210202 [0,2,0,0,0,0|1,0,1]=4 7530 B12R1.1112 CCSc1c(cccc1OC)C 62a_100000210202_100010191535 [0,2,0,0,0,0|1,0,1]=4 7531 B12R1.1112 CCSc1c(cccc1OC)C 62a_100010191535_100000210202 [0,2,0,0,0,0|1,0,1]=4 7532 B12R1.1112 CCSc1c(cccc1OC)F 62a_100000210202_100000703912 [0,2,0,0,0,0|1,0,1]=4 7533 B12R1.1112 CCSc1c(cccc1OC)F 62a_100000703912_100000210202 [0,2,0,0,0,0|1,0,1]=4 7534 B12R1.1112 CCSc1c(cccc1OC)N 62a_100000210202_100000703447 [0,2,0,0,0,0|1,0,1]=4 7535 B12R1.1112 CCSc1c(cccc1OC)N 62a_100000703447_100000210202 [0,2,0,0,0,0|1,0,1]=4 7536 B12R1.1112 CCSc1c(cccc1OC)O 62a_100000210202_100010202623 [0,2,0,0,0,0|1,0,1]=4 7537 B12R1.1112 CCSc1c(ccnc1F)C=O 62a_100000210202_100009856171 [0,2,0,0,0,0|1,1,0]=4 7538 B12R1.1112 CCSc1c(ccnc1F)C=O 62a_100009856171_100000210202 [0,2,0,0,0,0|1,1,0]=4 7539 B12R1.1112 CCc1cccc(c1OCF)Br 34a_200010001580_100015361967 [0,2,0,0,0,0|1,0,1]=4 7540 B12R1.1112 CCc1cccc(c1OCF)Br 7a_200010001580_100015361967 [0,2,0,0,0,0|1,0,1]=4 7541 B12R1.1112 CCc1cccc(c1OCF)C 34a_100000034007_100015361967 [0,2,0,0,0,0|1,0,1]=4 7542 B12R1.1112 CCc1cccc(c1OCF)C 7a_100000034007_100015361967 [0,2,0,0,0,0|1,0,1]=4 7543 B12R1.1112 CNCc1c(cccc1C=O)F 2230a_106832991635_100010132767 [0,2,0,0,0,0|1,0,0]=3 7544 B12R1.1112 CNCc1c(cccc1C=O)F 34a_100102657272_100010132767 [0,2,0,0,0,0|1,0,0]=3 7545 B12R1.1112 CNCc1c(cccc1C=O)F 7a_106832991635_100010132767 [0,2,0,0,0,0|1,0,0]=3 7546 B12R1.1112 CNCc1c(cccc1OC)Br 207a_100102657272_100009814803 [0,2,0,0,0,0|1,0,1]=4 7547 B12R1.1112 CNCc1c(cccc1OC)Br 26a_100102657272_100000686866 [0,2,0,0,0,0|1,0,1]=4 7548 B12R1.1112 CNCc1c(cccc1OC)Br 270004a_106832991635_100009814803 [0,2,0,0,0,0|1,0,1]=4 7549 B12R1.1112 CNCc1c(cccc1OC)C 207a_100102657272_100000050978 [0,2,0,0,0,0|1,0,1]=4 7550 B12R1.1112 CNCc1c(cccc1OC)C 270004a_106832991635_100000050978 [0,2,0,0,0,0|1,0,1]=4 7551 B12R1.1112 CNCc1c(cccc1OC)Cl 207a_100102657272_100000757644 [0,2,0,0,0,0|1,0,1]=4 7552 B12R1.1112 CNCc1c(cccc1OC)Cl 2230a_106832991635_100012349678 [0,2,0,0,0,0|1,0,1]=4 7553 B12R1.1112 CNCc1c(cccc1OC)Cl 270004a_106832991635_100000757644 [0,2,0,0,0,0|1,0,1]=4 7554 B12R1.1112 CNCc1c(cccc1OC)Cl 34a_100102657272_100012349678 [0,2,0,0,0,0|1,0,1]=4 7555 B12R1.1112 CNCc1c(cccc1OC)Cl 7a_106832991635_100012349678 [0,2,0,0,0,0|1,0,1]=4 7556 B12R1.1112 CNCc1c(cccc1OC)F 207a_100102657272_100011216730 [0,2,0,0,0,0|1,0,1]=4 7557 B12R1.1112 CNCc1c(cccc1OC)F 2230a_106832991635_100011216731 [0,2,0,0,0,0|1,0,1]=4 7558 B12R1.1112 CNCc1c(cccc1OC)F 270004a_106832991635_100011216730 [0,2,0,0,0,0|1,0,1]=4 7559 B12R1.1112 CNCc1c(cccc1OC)F 34a_100016992011_200000210301 [0,2,0,0,0,0|1,0,1]=4 7560 B12R1.1112 CNCc1c(cccc1OC)F 34a_100102657272_100011216731 [0,2,0,0,0,0|1,0,1]=4 7561 B12R1.1112 CNCc1c(cccc1OC)F 7a_106832991635_100011216731 [0,2,0,0,0,0|1,0,1]=4 7562 B12R1.1112 COCc1c(cccc1C#N)Br 34a_100138415774_100010145454 [0,2,0,0,0,0|1,0,1]=4 7563 B12R1.1112 COCc1c(cccc1C#N)Cl 34a_100138415774_100010254528 [0,2,0,0,0,0|1,0,1]=4 7564 B12R1.1112 COCc1c(cccc1C#N)F 34a_100138415774_100010254529 [0,2,0,0,0,0|1,0,1]=4 7565 B12R1.1112 COCc1c(cccc1C=O)F 34a_100138415774_100010132767 [0,2,0,0,0,0|0,0,0]=2 7566 B12R1.1112 COCc1c(cccc1OC)Cl 34a_100138415774_100012349678 [0,2,0,0,0,0|0,0,2]=4 7567 B12R1.1112 COCc1c(cccc1OC)F 34a_100011216733_200000210301 [0,2,0,0,0,0|0,0,2]=4 7568 B12R1.1112 COCc1c(cccc1OC)F 34a_100138415774_100011216731 [0,2,0,0,0,0|0,0,2]=4 7569 B12R1.1112 COCc1c(cccc1OC)F 7a_100011216733_200000210301 [0,2,0,0,0,0|0,0,2]=4 7570 B12R1.1112 COc1cccc(c1CN[13CH3])F 34a_100016992011_200025704644 [0,2,0,0,0,0|1,0,1]=4 7571 B12R1.1112 COc1cccc(c1CO[13CH3])F 34a_100011216733_200025704644 [0,2,0,0,0,0|0,0,2]=4 7572 B12R1.1112 COc1cccc(c1CO[13CH3])F 7a_100011216733_200025704644 [0,2,0,0,0,0|0,0,2]=4 7573 B12R1.1112 COc1cccc(c1CSC)Cl 62a_100012349678_200000210301 [0,2,0,0,0,0|0,1,1]=4 7574 B12R1.1112 COc1cccc(c1CSC)Cl 62a_200000210301_100012349678 [0,2,0,0,0,0|0,1,1]=4 7575 B12R1.1112 COc1cccc(c1CSC)F 62a_100011216731_200000210301 [0,2,0,0,0,0|0,1,1]=4 7576 B12R1.1112 COc1cccc(c1CSC)F 62a_200000210301_100011216731 [0,2,0,0,0,0|0,1,1]=4 7577 B12R1.1112 COc1cccc(c1CS[13CH3])Cl 62a_100012349678_200025704644 [0,2,0,0,0,0|0,1,1]=4 7578 B12R1.1112 COc1cccc(c1CS[13CH3])Cl 62a_200025704644_100012349678 [0,2,0,0,0,0|0,1,1]=4 7579 B12R1.1112 COc1cccc(c1CS[13CH3])F 62a_100011216731_200025704644 [0,2,0,0,0,0|0,1,1]=4 7580 B12R1.1112 COc1cccc(c1CS[13CH3])F 62a_200025704644_100011216731 [0,2,0,0,0,0|0,1,1]=4 7581 B12R1.1112 COc1cccc(c1NCF)Br 34a_100000708083_100015361967 [0,2,0,0,0,0|1,0,1]=4 7582 B12R1.1112 COc1cccc(c1NCF)C 34a_100000758225_100015361967 [0,2,0,0,0,0|1,0,1]=4 7583 B12R1.1112 COc1cccc(c1NCF)Cl 34a_100011309317_100015361967 [0,2,0,0,0,0|1,0,1]=4 7584 B12R1.1112 COc1cccc(c1NCF)F 34a_100000686744_100015361967 [0,2,0,0,0,0|1,0,1]=4 7585 B12R1.1112 COc1cccc(c1NCF)O 34a_100012022766_100015361967 [0,2,0,0,0,0|1,0,1]=4 7586 B12R1.1112 COc1cccc(c1OCF)Br 34a_100000686866_100015361967 [0,2,0,0,0,0|1,0,1]=4 7587 B12R1.1112 COc1cccc(c1OCF)C 34a_100011219253_100015361967 [0,2,0,0,0,0|1,0,1]=4 7588 B12R1.1112 COc1cccc(c1OCF)C 7a_100011219253_100015361967 [0,2,0,0,0,0|1,0,1]=4 7589 B12R1.1112 COc1cccc(c1OCF)Cl 34a_100009851661_100015361967 [0,2,0,0,0,0|1,0,1]=4 7590 B12R1.1112 COc1cccc(c1OCF)Cl 7a_100009851661_100015361967 [0,2,0,0,0,0|1,0,1]=4 7591 B12R1.1112 COc1cccc(c1OCF)F 34a_100000036725_100015361967 [0,2,0,0,0,0|1,0,1]=4 7592 B12R1.1112 COc1cccc(c1OCF)F 7a_100000036725_100015361967 [0,2,0,0,0,0|1,0,1]=4 7593 B12R1.1112 COc1cccc(c1OCF)N 34a_100000123586_100015361967 [0,2,0,0,0,0|1,0,1]=4 7594 B12R1.1112 COc1cccc(c1SCF)Br 62a_100010131421_100015361967 [0,2,0,0,0,0|1,0,1]=4 7595 B12R1.1112 COc1cccc(c1SCF)Br 62a_100015361967_100010131421 [0,2,0,0,0,0|1,0,1]=4 7596 B12R1.1112 COc1cccc(c1SCF)C 62a_100010191535_100015361967 [0,2,0,0,0,0|1,0,1]=4 7597 B12R1.1112 COc1cccc(c1SCF)C 62a_100015361967_100010191535 [0,2,0,0,0,0|1,0,1]=4 7598 B12R1.1112 COc1cccc(c1SCF)F 62a_100000703912_100015361967 [0,2,0,0,0,0|1,0,1]=4 7599 B12R1.1112 COc1cccc(c1SCF)F 62a_100015361967_100000703912 [0,2,0,0,0,0|1,0,1]=4 7600 B12R1.1112 COc1cccc(c1SCF)N 62a_100000703447_100015361967 [0,2,0,0,0,0|1,0,1]=4 7601 B12R1.1112 COc1cccc(c1SCF)N 62a_100015361967_100000703447 [0,2,0,0,0,0|1,0,1]=4 7602 B12R1.1112 COc1cccc(c1SCF)O 62a_100015361967_100010202623 [0,2,0,0,0,0|1,0,1]=4 7603 B12R1.1112 CSCc1c(cccc1C=O)F 62a_100010132767_200000210301 [0,2,0,0,0,0|0,1,0]=3 7604 B12R1.1112 CSCc1c(cccc1C=O)F 62a_200000210301_100010132767 [0,2,0,0,0,0|0,1,0]=3 7605 B12R1.1112 Cc1cccc(c1OCF)C#N 34a_100011659161_100015361967 [0,2,0,0,0,0|1,0,1]=4 7606 B12R1.1112 Cc1cccc(c1OCF)C#N 7a_100011659161_100015361967 [0,2,0,0,0,0|1,0,1]=4 7607 B12R1.1112 Cc1cccc(c1OCF)CN 34a_100020639391_100015361967 [0,2,0,0,0,0|1,0,1]=4 7608 B12R1.1112 Cc1cccc(c1SCF)C=O 62a_100012186367_100015361967 [0,2,0,0,0,0|0,1,0]=3 7609 B12R1.1112 Cc1cccc(c1SCF)C=O 62a_100015361967_100012186367 [0,2,0,0,0,0|0,1,0]=3 7610 B12R1.1112 N#Cc1cccc(c1OCF)Br 34a_100009817103_100015361967 [0,2,0,0,0,0|1,0,1]=4 7611 B12R1.1112 N#Cc1cccc(c1OCF)Cl 34a_100009866432_100015361967 [0,2,0,0,0,0|1,0,1]=4 7612 B12R1.1112 N#Cc1cccc(c1OCF)Cl 7a_100009866432_100015361967 [0,2,0,0,0,0|1,0,1]=4 7613 B12R1.1112 N#Cc1cccc(c1OCF)F 34a_100000117915_100015361967 [0,2,0,0,0,0|1,0,1]=4 7614 B12R1.1112 N#Cc1cccc(c1OCF)F 7a_100000117915_100015361967 [0,2,0,0,0,0|1,0,1]=4 7615 B12R1.1112 O=Cc1cccc(c1SCF)F 62a_100011934749_100015361967 [0,2,0,0,0,0|0,1,0]=3 7616 B12R1.1112 O=Cc1cccc(c1SCF)F 62a_100015361967_100011934749 [0,2,0,0,0,0|0,1,0]=3 7617 B12R1.1112 O=Cc1cccc(c1SCF)O 62a_100009816417_100015361967 [0,2,0,0,0,0|0,1,0]=3 7618 B12R1.1112 O=Cc1cccc(c1SCF)O 62a_100015361967_100009816417 [0,2,0,0,0,0|0,1,0]=3 7619 B12R1.1112 O=Cc1ccnc(c1SCF)F 62a_100009856171_100015361967 [0,2,0,0,0,0|1,1,0]=4 7620 B12R1.1112 O=Cc1ccnc(c1SCF)F 62a_100015361967_100009856171 [0,2,0,0,0,0|1,1,0]=4 7621 B12R1.1112 OCc1cccc(c1OCF)F 34a_100011997349_100015361967 [0,2,0,0,0,0|0,0,2]=4 7622 B12R1.1112 OCc1cccc(c1OCF)F 7a_100011997349_100015361967 [0,2,0,0,0,0|0,0,2]=4 7623 B12R1.1112 [13CH3]SCc1c(cccc1C=O)F 62a_100010132767_200025704644 [0,2,0,0,0,0|0,1,0]=3 7624 B12R1.1112 [13CH3]SCc1c(cccc1C=O)F 62a_200025704644_100010132767 [0,2,0,0,0,0|0,1,0]=3 7625 B12R1.76 C=Cc1ccccc1C(C)(C)C 271570a_100011290941_100012339570 [0,2,0,0,0,0|2,0,0]=4 7626 B12R1.76 C=Cc1ccccc1C(C)(C)N 271570a_100011290941_100020606264 [0,2,0,0,0,0|2,0,0]=4 7627 B12R1.76 C=Cc1ccccc1C(C)(C)O 271570a_100011290941_100011346021 [0,2,0,0,0,0|2,0,0]=4 7628 B12R1.76 C=Cc1ccccc1C(C)(F)F 271570a_100011290941_100010220483 [0,2,0,0,0,0|2,0,0]=4 7629 B12R1.76 C=Cc1ccccc1S(=O)(=O)C 271570a_100011290941_100000751929 [0,2,0,0,0,0|1,1,0]=4 7630 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 34a_100000211619_200025704644 [0,2,0,0,0,0|1,0,1]=4 7631 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 7a_100000211619_200025704644 [0,2,0,0,0,0|1,0,1]=4 7632 B12R1.76 CNc1ccccc1P(=O)(C)C 2230a_100010749338_200000210301 [0,2,0,0,0,0|2,0,0]=4 7633 B12R1.76 CNc1ccccc1P(=O)(C)C 34a_100010749338_200000210301 [0,2,0,0,0,0|2,0,0]=4 7634 B12R1.76 CNc1ccccc1S(=O)(=O)C 34a_100000241000_200000210301 [0,2,0,0,0,0|2,0,0]=4 7635 B12R1.76 CNc1ccccc1S(=O)(=O)C 7a_100000241000_200000210301 [0,2,0,0,0,0|2,0,0]=4 7636 B12R1.76 CNc1ccccc1S(=O)(=O)N 34a_100011204920_200000210301 [0,2,0,0,0,0|2,0,0]=4 7637 B12R1.76 COc1ccccc1C(C)(C)C 34a_100000211619_200000210301 [0,2,0,0,0,0|1,0,1]=4 7638 B12R1.76 COc1ccccc1C(C)(C)C 7a_100000211619_200000210301 [0,2,0,0,0,0|1,0,1]=4 7639 B12R1.76 COc1ccccc1C(F)(F)F 34a_100000236976_200000210301 [0,2,0,0,0,0|1,0,1]=4 7640 B12R1.76 COc1ccccc1C(F)(F)F 7a_100000236976_200000210301 [0,2,0,0,0,0|1,0,1]=4 7641 B12R1.76 COc1ccccc1S(=O)(=O)C 34a_100000054562_200000210301 [0,2,0,0,0,0|1,0,0]=3 7642 B12R1.76 COc1ccccc1S(=O)(=O)C 7a_100000054562_200000210301 [0,2,0,0,0,0|1,0,0]=3 7643 B12R1.76 COc1ccccc1[Si](C)(C)C 7a_100000095915_200000210301 [0,2,0,0,0,0|1,1,0]=4 7644 B12R1.76 CP(=O)(C)c1ccccc1N[13CH3] 2230a_100010749338_200025704644 [0,2,0,0,0,0|2,0,0]=4 7645 B12R1.76 CP(=O)(C)c1ccccc1N[13CH3] 34a_100010749338_200025704644 [0,2,0,0,0,0|2,0,0]=4 7646 B12R1.76 CS(=O)(=O)c1ccccc1N[13CH3] 34a_100000241000_200025704644 [0,2,0,0,0,0|2,0,0]=4 7647 B12R1.76 CS(=O)(=O)c1ccccc1N[13CH3] 7a_100000241000_200025704644 [0,2,0,0,0,0|2,0,0]=4 7648 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 34a_100000054562_200025704644 [0,2,0,0,0,0|1,0,0]=3 7649 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 7a_100000054562_200025704644 [0,2,0,0,0,0|1,0,0]=3 7650 B12R1.76 CS(=O)(=O)c1ccccc1S[13CH3] 62a_100000751929_200025704644 [0,2,0,0,0,0|1,1,0]=4 7651 B12R1.76 CS(=O)(=O)c1ccccc1S[13CH3] 62a_200025704644_100000751929 [0,2,0,0,0,0|1,1,0]=4 7652 B12R1.76 CSc1ccccc1S(=O)(=O)C 62a_100000751929_200000210301 [0,2,0,0,0,0|1,1,0]=4 7653 B12R1.76 CSc1ccccc1S(=O)(=O)C 62a_200000210301_100000751929 [0,2,0,0,0,0|1,1,0]=4 7654 B12R1.76 CSc1ccccc1S(=O)(=O)N 62a_100000164562_200000210301 [0,2,0,0,0,0|1,1,0]=4 7655 B12R1.76 C[Si](C)(C)c1ccccc1O[13CH3] 7a_100000095915_200025704644 [0,2,0,0,0,0|1,1,0]=4 7656 B12R1.76 [13CH3]Nc1ccccc1S(=O)(=O)N 34a_100011204920_200025704644 [0,2,0,0,0,0|2,0,0]=4 7657 B12R1.76 [13CH3]Oc1ccccc1C(F)(F)F 34a_100000236976_200025704644 [0,2,0,0,0,0|1,0,1]=4 7658 B12R1.76 [13CH3]Oc1ccccc1C(F)(F)F 7a_100000236976_200025704644 [0,2,0,0,0,0|1,0,1]=4 7659 B12R1.76 [13CH3]Sc1ccccc1S(=O)(=O)N 62a_100000164562_200025704644 [0,2,0,0,0,0|1,1,0]=4 7660 B12R1.87 C=C(C)c1cccc(c1C=O)C 271570a_100000694244_100000041122 [0,2,0,0,0,0|1,0,0]=3 7661 B12R1.87 C=C(C)c1cccc(c1C=O)Cl 271570a_100000694244_100010147682 [0,2,0,0,0,0|1,0,0]=3 7662 B12R1.87 C=C(C)c1cccc(c1C=O)F 271570a_100000694244_100000210083 [0,2,0,0,0,0|1,0,0]=3 7663 B12R1.87 C=C(C)c1cccc(c1C=O)N 271570a_100000694244_100010232536 [0,2,0,0,0,0|1,0,0]=3 7664 B12R1.87 C=C(C)c1cccc(c1C=O)O 271570a_100000694244_100009814793 [0,2,0,0,0,0|1,0,0]=3 7665 B12R1.87 C=C(C)c1cccc(c1NC)N 271570a_100000694244_100010510394 [0,2,0,0,0,0|2,0,0]=4 7666 B12R1.87 C=C(C)c1cccc(c1OC)Br 271570a_100000694244_100010146560 [0,2,0,0,0,0|1,0,0]=3 7667 B12R1.87 C=C(C)c1cccc(c1OC)C 271570a_100000694244_100010141385 [0,2,0,0,0,0|1,0,0]=3 7668 B12R1.87 C=C(C)c1cccc(c1OC)Cl 271570a_100000694244_100010147678 [0,2,0,0,0,0|1,0,0]=3 7669 B12R1.87 C=C(C)c1cccc(c1OC)F 271570a_100000694244_100009816759 [0,2,0,0,0,0|1,0,0]=3 7670 B12R1.87 C=C(C)c1cccc(c1OC)N 271570a_100000694244_100011935253 [0,2,0,0,0,0|1,0,0]=3 7671 B12R1.87 C=C(C)c1cccc(c1OC)O 271570a_100000694244_100010234590 [0,2,0,0,0,0|1,0,0]=3 7672 B12R1.87 C=C(C)c1cccc(c1SC)F 271570a_100000694244_200010709249 [0,2,0,0,0,0|1,1,0]=4 7673 B12R1.87 C=C(C)c1ccnc(c1C=O)Cl 271570a_100000694244_100000047006 [0,2,0,0,0,0|2,0,0]=4 7674 B12R1.87 C=C(C)c1ccnc(c1C=O)F 271570a_100000694244_100009828249 [0,2,0,0,0,0|2,0,0]=4 7675 B12R1.87 C=C(C)c1ccnc(c1C=O)N 271570a_100000694244_100009843235 [0,2,0,0,0,0|2,0,0]=4 7676 B12R1.87 C=C(C)c1ccnc(c1OC)C 271570a_100000694244_100000685116 [0,2,0,0,0,0|2,0,0]=4 7677 B12R1.87 C=C(C)c1ccnc(c1OC)Cl 271570a_100000694244_100010068014 [0,2,0,0,0,0|2,0,0]=4 7678 B12R1.87 C=C(C)c1ccnc(c1OC)N 271570a_100000694244_100009880012 [0,2,0,0,0,0|2,0,0]=4 7679 B12R1.87 C=C(C)c1cncc(c1C=O)F 271570a_100000694244_100010064882 [0,2,0,0,0,0|2,0,0]=4 7680 B12R1.87 C=C(C)c1cncc(c1OC)N 271570a_100000694244_100012359933 [0,2,0,0,0,0|2,0,0]=4 7681 B12R1.87 C=C(C)c1nccc(c1C=O)O 271570a_100000694244_200010729673 [0,2,0,0,0,0|2,0,0]=4 7682 B12R1.87 C=C(C)c1nccc(c1OC)N 271570a_100000694244_100000104429 [0,2,0,0,0,0|2,0,0]=4 7683 B12R1.87 C=C(C)c1nccc(c1OC)O 271570a_100000694244_100000104430 [0,2,0,0,0,0|2,0,0]=4 7684 B12R1.87 C=Cc1c(cccc1C(=O)C)F 271570a_100011290941_100012362612 [0,2,0,0,0,0|1,0,1]=4 7685 B12R1.87 C=Cc1c(cccc1C(=O)N)C 271570a_100011290941_200011409216 [0,2,0,0,0,0|1,0,1]=4 7686 B12R1.87 C=Cc1c(cccc1C(=O)N)F 271570a_100011290941_200012351544 [0,2,0,0,0,0|1,0,1]=4 7687 B12R1.87 CC(=O)c1cccc(c1C#N)F 1458a_100000702252_200000210301 [0,2,0,0,0,0|2,0,0]=4 7688 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,2,0,0,0,0|0,0,0]=2 7689 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,2,0,0,0,0|0,0,0]=2 7690 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [0,2,0,0,0,0|0,0,0]=2 7691 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [0,2,0,0,0,0|0,0,0]=2 7692 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [0,2,0,0,0,0|0,0,0]=2 7693 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [0,2,0,0,0,0|0,0,0]=2 7694 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_100012362612_200025704644 [0,2,0,0,0,0|0,1,0]=3 7695 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012362612 [0,2,0,0,0,0|0,1,0]=3 7696 B12R1.87 CCc1c(cccc1C(=O)C)Br 1458a_100010125490_200000210301 [0,2,0,0,0,0|1,0,0]=3 7697 B12R1.87 CCc1c(cccc1C(=O)[13CH3])Br 1458a_100010125490_200025704644 [0,2,0,0,0,0|1,0,0]=3 7698 B12R1.87 CN(C)c1cccc(c1C=O)O 271570a_203496583355_100010365569 [0,2,0,0,0,0|1,0,0]=3 7699 B12R1.87 CN(C)c1ccnc(c1C=O)F 27a_100102631434_100009877353 [0,2,0,0,0,0|2,0,0]=4 7700 B12R1.87 CN(C)c1ccnc(c1C=O)O 271570a_203496583355_100021167687 [0,2,0,0,0,0|2,0,0]=4 7701 B12R1.87 CN(C)c1nccc(c1C=O)O 271570a_203496583355_100000070258 [0,2,0,0,0,0|2,0,0]=4 7702 B12R1.87 CNc1c(cccc1C(=O)N)C 34a_100000223273_200000210301 [0,2,0,0,0,0|1,0,0]=3 7703 B12R1.87 CNc1c(cccc1C(=O)N)Cl 34a_200011997947_200000210301 [0,2,0,0,0,0|1,0,0]=3 7704 B12R1.87 CNc1c(cccc1C(=O)N)F 34a_100011722151_200000210301 [0,2,0,0,0,0|1,0,0]=3 7705 B12R1.87 CNc1c(cccc1[N+](=O)[O-])F 34a_100000687224_200000210301 [0,2,0,0,0,0|2,0,0]=4 7706 B12R1.87 COc1c(cccc1B(O)O)O 271570a_203496583355_100010078571 [0,2,0,0,0,0|1,0,1]=4 7707 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [0,2,0,0,0,0|0,0,0]=2 7708 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,2,0,0,0,0|0,0,0]=2 7709 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,2,0,0,0,0|0,0,0]=2 7710 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,2,0,0,0,0|0,0,0]=2 7711 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [0,2,0,0,0,0|0,0,0]=2 7712 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [0,2,0,0,0,0|0,0,0]=2 7713 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [0,2,0,0,0,0|0,0,0]=2 7714 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [0,2,0,0,0,0|0,0,0]=2 7715 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [0,2,0,0,0,0|0,0,0]=2 7716 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [0,2,0,0,0,0|0,0,0]=2 7717 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [0,2,0,0,0,0|0,0,0]=2 7718 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [0,2,0,0,0,0|0,0,0]=2 7719 B12R1.87 COc1c(cccc1C(=O)N)Cl 34a_100009868166_200000210301 [0,2,0,0,0,0|0,0,0]=2 7720 B12R1.87 COc1c(cccc1C(=O)N)Cl 7a_100009868166_200000210301 [0,2,0,0,0,0|0,0,0]=2 7721 B12R1.87 COc1c(cccc1C(=O)N)F 34a_100009886295_200000210301 [0,2,0,0,0,0|0,0,0]=2 7722 B12R1.87 COc1c(cccc1C(=O)N)F 7a_100009886295_200000210301 [0,2,0,0,0,0|0,0,0]=2 7723 B12R1.87 COc1c(cccc1C(=O)N)O 271570a_203496583355_100010146779 [0,2,0,0,0,0|0,0,0]=2 7724 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [0,2,0,0,0,0|0,0,0]=2 7725 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,2,0,0,0,0|0,0,0]=2 7726 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [0,2,0,0,0,0|0,0,0]=2 7727 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [0,2,0,0,0,0|0,0,0]=2 7728 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [0,2,0,0,0,0|0,0,0]=2 7729 B12R1.87 COc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200000210301 [0,2,0,0,0,0|1,0,0]=3 7730 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 34a_100000763257_200000210301 [0,2,0,0,0,0|1,0,0]=3 7731 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 7a_100000763257_200000210301 [0,2,0,0,0,0|1,0,0]=3 7732 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200000210301 [0,2,0,0,0,0|1,0,0]=3 7733 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200000210301 [0,2,0,0,0,0|1,0,0]=3 7734 B12R1.87 COc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200000210301 [0,2,0,0,0,0|1,0,0]=3 7735 B12R1.87 COc1c(ccnc1C)[N+](=O)[O-] 34a_200000144590_200000210301 [0,2,0,0,0,0|2,0,0]=4 7736 B12R1.87 COc1c(ccnc1C)[N+](=O)[O-] 7a_200000144590_200000210301 [0,2,0,0,0,0|2,0,0]=4 7737 B12R1.87 COc1c(ccnc1Cl)[N+](=O)[O-] 34a_100009852515_200000210301 [0,2,0,0,0,0|2,0,0]=4 7738 B12R1.87 COc1c(ccnc1Cl)[N+](=O)[O-] 7a_100009852515_200000210301 [0,2,0,0,0,0|2,0,0]=4 7739 B12R1.87 COc1c(ccnc1[N+](=O)[O-])C 7a_100009875811_200000210301 [0,2,0,0,0,0|2,0,0]=4 7740 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_100012362612_200000210301 [0,2,0,0,0,0|0,1,0]=3 7741 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_200000210301_100012362612 [0,2,0,0,0,0|0,1,0]=3 7742 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200000210301_200011409216 [0,2,0,0,0,0|0,1,0]=3 7743 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200011409216_200000210301 [0,2,0,0,0,0|0,1,0]=3 7744 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200000210301_200012351544 [0,2,0,0,0,0|0,1,0]=3 7745 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200012351544_200000210301 [0,2,0,0,0,0|0,1,0]=3 7746 B12R1.87 Cc1cccc(c1N[13CH3])C(=O)N 34a_100000223273_200025704644 [0,2,0,0,0,0|1,0,0]=3 7747 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 34a_100000763257_200025704644 [0,2,0,0,0,0|1,0,0]=3 7748 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 7a_100000763257_200025704644 [0,2,0,0,0,0|1,0,0]=3 7749 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200011409216_200025704644 [0,2,0,0,0,0|0,1,0]=3 7750 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200025704644_200011409216 [0,2,0,0,0,0|0,1,0]=3 7751 B12R1.87 Cc1ccnc(c1O[13CH3])[N+](=O)[O-] 7a_100009875811_200025704644 [0,2,0,0,0,0|2,0,0]=4 7752 B12R1.87 Cc1nccc(c1O[13CH3])[N+](=O)[O-] 34a_200000144590_200025704644 [0,2,0,0,0,0|2,0,0]=4 7753 B12R1.87 Cc1nccc(c1O[13CH3])[N+](=O)[O-] 7a_200000144590_200025704644 [0,2,0,0,0,0|2,0,0]=4 7754 B12R1.87 O=Cc1c(cccc1B(O)O)O 271570a_203496583355_100009861587 [0,2,0,0,0,0|2,0,0]=4 7755 B12R1.87 [13CH3]C(=O)c1cccc(c1C#N)F 1458a_100000702252_200025704644 [0,2,0,0,0,0|2,0,0]=4 7756 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)Cl 34a_200011997947_200025704644 [0,2,0,0,0,0|1,0,0]=3 7757 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)F 34a_100011722151_200025704644 [0,2,0,0,0,0|1,0,0]=3 7758 B12R1.87 [13CH3]Nc1c(cccc1[N+](=O)[O-])F 34a_100000687224_200025704644 [0,2,0,0,0,0|2,0,0]=4 7759 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 34a_100009868166_200025704644 [0,2,0,0,0,0|0,0,0]=2 7760 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 7a_100009868166_200025704644 [0,2,0,0,0,0|0,0,0]=2 7761 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 34a_100009886295_200025704644 [0,2,0,0,0,0|0,0,0]=2 7762 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 7a_100009886295_200025704644 [0,2,0,0,0,0|0,0,0]=2 7763 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200025704644 [0,2,0,0,0,0|1,0,0]=3 7764 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200025704644 [0,2,0,0,0,0|1,0,0]=3 7765 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200025704644 [0,2,0,0,0,0|1,0,0]=3 7766 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200025704644 [0,2,0,0,0,0|1,0,0]=3 7767 B12R1.87 [13CH3]Oc1c(ccnc1Cl)[N+](=O)[O-] 34a_100009852515_200025704644 [0,2,0,0,0,0|2,0,0]=4 7768 B12R1.87 [13CH3]Oc1c(ccnc1Cl)[N+](=O)[O-] 7a_100009852515_200025704644 [0,2,0,0,0,0|2,0,0]=4 7769 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200012351544_200025704644 [0,2,0,0,0,0|0,1,0]=3 7770 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200025704644_200012351544 [0,2,0,0,0,0|0,1,0]=3 7771 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [0,2,0,0,0,0|1,0,0]=3 7772 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [0,2,0,0,0,0|1,0,0]=3 7773 B12R1.261 C=C(C)c1ccccc1C(C)C 271570a_100000694244_100011218076 [0,2,0,0,0,0|2,0,0]=4 7774 B12R1.261 C=C(C)c1ccccc1C(C)N 271570a_100000694244_100000181357 [0,2,0,0,0,0|2,0,0]=4 7775 B12R1.261 C=C(C)c1ccccc1C(C)O 271570a_100000694244_100000702211 [0,2,0,0,0,0|2,0,0]=4 7776 B12R1.261 C=C(C)c1ccccc1N(C)C 271570a_100000694244_100011290883 [0,2,0,0,0,0|2,0,0]=4 7777 B12R1.261 C=C(C)c1ccccc1S(=O)C 271570a_100000694244_100000734199 [0,2,0,0,0,0|1,1,0]=4 7778 B12R1.261 C=C(C)c1cccnc1C(=O)C 271570a_100000694244_100012348690 [0,2,0,0,0,0|2,0,0]=4 7779 B12R1.261 C=C(C)c1cccnc1C(=O)N 271570a_100000694244_200012359670 [0,2,0,0,0,0|2,0,0]=4 7780 B12R1.261 C=C(C)c1ccncc1C(=O)C 271570a_100000694244_100160469449 [0,2,0,0,0,0|2,0,0]=4 7781 B12R1.261 C=C(C)c1ccncc1C(=O)N 271570a_100000694244_100000697804 [0,2,0,0,0,0|2,0,0]=4 7782 B12R1.261 C=C(C)c1cnccc1C(=O)C 271570a_100000694244_100009993184 [0,2,0,0,0,0|2,0,0]=4 7783 B12R1.261 C=C(C)c1cnccc1C(=O)N 271570a_100000694244_100010205435 [0,2,0,0,0,0|2,0,0]=4 7784 B12R1.261 C=C(C)c1ncccc1C(=O)C 271570a_100000694244_100000753718 [0,2,0,0,0,0|2,0,0]=4 7785 B12R1.261 C=C(C)c1ncccc1C(=O)N 271570a_100000694244_100000162199 [0,2,0,0,0,0|2,0,0]=4 7786 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [0,2,0,0,0,0|1,0,0]=3 7787 B12R1.261 CC(=O)c1ccccc1C(F)F 1458a_100009872251_200000210301 [0,2,0,0,0,0|2,0,0]=4 7788 B12R1.261 CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_200000210301 [0,2,0,0,0,0|2,0,0]=4 7789 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [0,2,0,0,0,0|1,0,0]=3 7790 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [0,2,0,0,0,0|0,1,0]=3 7791 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200000210301 [0,2,0,0,0,0|2,0,0]=4 7792 B12R1.261 CC(=O)c1cccnc1N(C)C 27a_100102631434_100009816689 [0,2,0,0,0,0|2,0,0]=4 7793 B12R1.261 CC(=O)c1cnccc1N(C)C 27a_100102631434_100160469449 [0,2,0,0,0,0|2,0,0]=4 7794 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [0,2,0,0,0,0|1,0,0]=3 7795 B12R1.261 CN(C)c1ccccc1C(=O)N 269982a_100000184419_200000210301 [0,2,0,0,0,0|1,0,0]=3 7796 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [0,2,0,0,0,0|1,0,0]=3 7797 B12R1.261 CN(C)c1ccccc1[N+](=O)[O-] 2230a_100000156515_200000210301 [0,2,0,0,0,0|2,0,0]=4 7798 B12R1.261 CN(C)c1ccccc1[N+](=O)[O-] 269982a_100000156515_200000210301 [0,2,0,0,0,0|2,0,0]=4 7799 B12R1.261 CN(C)c1cccnc1C(=O)N 27a_100102631434_200012359670 [0,2,0,0,0,0|2,0,0]=4 7800 B12R1.261 CN(C)c1ccncc1C(=O)N 27a_100102631434_100000697804 [0,2,0,0,0,0|2,0,0]=4 7801 B12R1.261 CN(C)c1ncccc1C(=O)N 27a_100102631434_100000162199 [0,2,0,0,0,0|2,0,0]=4 7802 B12R1.261 CN([13CH3])c1ccccc1C(=O)N 269982a_100000184419_200025704644 [0,2,0,0,0,0|1,0,0]=3 7803 B12R1.261 CN([13CH3])c1ccccc1[N+](=O)[O-] 2230a_100000156515_200025704644 [0,2,0,0,0,0|2,0,0]=4 7804 B12R1.261 CN([13CH3])c1ccccc1[N+](=O)[O-] 269982a_100000156515_200025704644 [0,2,0,0,0,0|2,0,0]=4 7805 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [0,2,0,0,0,0|0,1,0]=3 7806 B12R1.261 [13CH3]C(=O)c1ccccc1C(F)F 1458a_100009872251_200025704644 [0,2,0,0,0,0|2,0,0]=4 7807 B12R1.261 [13CH3]C(=O)c1ccccc1I(=O)=O 1458a_100000061294_200025704644 [0,2,0,0,0,0|2,0,0]=4 7808 B12R1.261 [13CH3]C(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200025704644 [0,2,0,0,0,0|2,0,0]=4 7809 B12R1.437 C=C(C)c1c(cccc1C=O)F 271570a_100000694244_100011998484 [0,2,0,0,0,0|1,0,0]=3 7810 B12R1.437 C=C(C)c1c(cccc1C=O)O 271570a_100000694244_100009816417 [0,2,0,0,0,0|1,0,0]=3 7811 B12R1.437 C=C(C)c1c(cccc1CC)C 271570a_100000694244_100000036235 [0,2,0,0,0,0|2,0,0]=4 7812 B12R1.437 C=C(C)c1c(cccc1OC)Br 271570a_100000694244_100010131421 [0,2,0,0,0,0|1,0,0]=3 7813 B12R1.437 C=C(C)c1c(cccc1OC)F 271570a_100000694244_100000041735 [0,2,0,0,0,0|1,0,0]=3 7814 B12R1.437 C=C(C)c1c(cccc1OC)N 271570a_100000694244_100000703447 [0,2,0,0,0,0|1,0,0]=3 7815 B12R1.437 C=C(C)c1c(cccc1OC)O 271570a_100000694244_100010202623 [0,2,0,0,0,0|1,0,0]=3 7816 B12R1.437 C=C(C)c1c(ccnc1F)C=O 271570a_100000694244_100009856171 [0,2,0,0,0,0|2,0,0]=4 7817 B12R1.437 C=C(C)c1c(ccnc1OC)C 271570a_100000694244_100012353928 [0,2,0,0,0,0|2,0,0]=4 7818 B12R1.437 C=C(C)c1c(ccnc1OC)N 271570a_100000694244_100010243811 [0,2,0,0,0,0|2,0,0]=4 7819 B12R1.437 C=Cc1cccc(c1C(=O)C)F 271570a_100011290941_100012351873 [0,2,0,0,0,0|1,0,1]=4 7820 B12R1.437 C=Cc1cccc(c1C(=O)C)O 271570a_100011290941_100010174959 [0,2,0,0,0,0|1,0,1]=4 7821 B12R1.437 C=Cc1cccc(c1C(=O)N)Cl 271570a_100011290941_100010147686 [0,2,0,0,0,0|1,0,1]=4 7822 B12R1.437 C=Cc1cccc(c1C(=O)N)F 271570a_100011290941_100011219063 [0,2,0,0,0,0|1,0,1]=4 7823 B12R1.437 C=Cc1cccc(c1C(C)O)F 271570a_100011290941_100013085324 [0,2,0,0,0,0|2,0,0]=4 7824 B12R1.437 CC(=O)c1c(cccc1C#N)Br 1458a_200010145881_200000210301 [0,2,0,0,0,0|2,0,0]=4 7825 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 34a_100010174959_200025704644 [0,2,0,0,0,0|0,0,0]=2 7826 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 7a_100010174959_200025704644 [0,2,0,0,0,0|0,0,0]=2 7827 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 34a_100009860897_200025704644 [0,2,0,0,0,0|0,0,0]=2 7828 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 7a_100009860897_200025704644 [0,2,0,0,0,0|0,0,0]=2 7829 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 34a_100000730630_200025704644 [0,2,0,0,0,0|0,0,0]=2 7830 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 7a_100000730630_200025704644 [0,2,0,0,0,0|0,0,0]=2 7831 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 34a_100011216272_200025704644 [0,2,0,0,0,0|0,0,0]=2 7832 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 7a_100011216272_200025704644 [0,2,0,0,0,0|0,0,0]=2 7833 B12R1.437 CC(=O)c1c(cccc1S[13CH3])F 62a_100012351873_200025704644 [0,2,0,0,0,0|0,1,0]=3 7834 B12R1.437 CC(=O)c1c(ccnc1S[13CH3])N 62a_200010729368_200025704644 [0,2,0,0,0,0|1,1,0]=4 7835 B12R1.437 CC(=O)c1c(ccnc1S[13CH3])N 62a_200025704644_200010729368 [0,2,0,0,0,0|1,1,0]=4 7836 B12R1.437 CNc1cccc(c1C(=O)N)C 34a_100102558177_200000210301 [0,2,0,0,0,0|1,0,0]=3 7837 B12R1.437 CNc1cccc(c1C(=O)N)C 7a_100102558177_200000210301 [0,2,0,0,0,0|1,0,0]=3 7838 B12R1.437 CNc1cccc(c1C(=O)N)Cl 34a_100000764435_200000210301 [0,2,0,0,0,0|1,0,0]=3 7839 B12R1.437 CNc1cccc(c1C(=O)N)Cl 7a_100000764435_200000210301 [0,2,0,0,0,0|1,0,0]=3 7840 B12R1.437 CNc1cccc(c1C(=O)N)F 27a_100102657272_100011219063 [0,2,0,0,0,0|1,0,0]=3 7841 B12R1.437 CNc1cccc(c1C(=O)N)F 34a_100000036109_200000210301 [0,2,0,0,0,0|1,0,0]=3 7842 B12R1.437 CNc1cccc(c1C(=O)N)F 7a_100000036109_200000210301 [0,2,0,0,0,0|1,0,0]=3 7843 B12R1.437 CNc1cccc(c1[N+](=O)[O-])C 34a_100011424894_200000210301 [0,2,0,0,0,0|2,0,0]=4 7844 B12R1.437 CNc1cccc(c1[N+](=O)[O-])F 34a_100011219493_200000210301 [0,2,0,0,0,0|2,0,0]=4 7845 B12R1.437 COc1cccc(c1C(=O)C)Br 1458a_100011593405_200000210301 [0,2,0,0,0,0|0,0,0]=2 7846 B12R1.437 COc1cccc(c1C(=O)C)Br 34a_100010174959_200000210301 [0,2,0,0,0,0|0,0,0]=2 7847 B12R1.437 COc1cccc(c1C(=O)C)Br 7a_100010174959_200000210301 [0,2,0,0,0,0|0,0,0]=2 7848 B12R1.437 COc1cccc(c1C(=O)C)C 1458a_100000066212_200000210301 [0,2,0,0,0,0|0,0,0]=2 7849 B12R1.437 COc1cccc(c1C(=O)C)C 34a_100009860897_200000210301 [0,2,0,0,0,0|0,0,0]=2 7850 B12R1.437 COc1cccc(c1C(=O)C)C 7a_100009860897_200000210301 [0,2,0,0,0,0|0,0,0]=2 7851 B12R1.437 COc1cccc(c1C(=O)C)Cl 1458a_100000743539_200000210301 [0,2,0,0,0,0|0,0,0]=2 7852 B12R1.437 COc1cccc(c1C(=O)C)Cl 34a_100000730630_200000210301 [0,2,0,0,0,0|0,0,0]=2 7853 B12R1.437 COc1cccc(c1C(=O)C)Cl 7a_100000730630_200000210301 [0,2,0,0,0,0|0,0,0]=2 7854 B12R1.437 COc1cccc(c1C(=O)C)F 1458a_100000759380_200000210301 [0,2,0,0,0,0|0,0,0]=2 7855 B12R1.437 COc1cccc(c1C(=O)C)F 34a_100011216272_200000210301 [0,2,0,0,0,0|0,0,0]=2 7856 B12R1.437 COc1cccc(c1C(=O)C)F 7a_100011216272_200000210301 [0,2,0,0,0,0|0,0,0]=2 7857 B12R1.437 COc1cccc(c1C(=O)C)I 1458a_100010179659_200000210301 [0,2,0,0,0,0|0,0,0]=2 7858 B12R1.437 COc1cccc(c1C(=O)C)O 1458a_100000043310_200000210301 [0,2,0,0,0,0|0,0,0]=2 7859 B12R1.437 COc1cccc(c1C(=O)C)O 271570a_203496583355_100010725609 [0,2,0,0,0,0|0,0,0]=2 7860 B12R1.437 COc1cccc(c1C(=O)N)F 34a_100000701607_200000210301 [0,2,0,0,0,0|0,0,0]=2 7861 B12R1.437 COc1cccc(c1C(=O)N)F 7a_100000701607_200000210301 [0,2,0,0,0,0|0,0,0]=2 7862 B12R1.437 COc1cccc(c1C(=O)N)O 271570a_203496583355_200010146778 [0,2,0,0,0,0|0,0,0]=2 7863 B12R1.437 COc1cccc(c1C(=O)[13CH3])Br 1458a_100011593405_200025704644 [0,2,0,0,0,0|0,0,0]=2 7864 B12R1.437 COc1cccc(c1C(=O)[13CH3])C 1458a_100000066212_200025704644 [0,2,0,0,0,0|0,0,0]=2 7865 B12R1.437 COc1cccc(c1C(=O)[13CH3])Cl 1458a_100000743539_200025704644 [0,2,0,0,0,0|0,0,0]=2 7866 B12R1.437 COc1cccc(c1C(=O)[13CH3])F 1458a_100000759380_200025704644 [0,2,0,0,0,0|0,0,0]=2 7867 B12R1.437 COc1cccc(c1C(=O)[13CH3])I 1458a_100010179659_200025704644 [0,2,0,0,0,0|0,0,0]=2 7868 B12R1.437 COc1cccc(c1C(=O)[13CH3])O 1458a_100000043310_200025704644 [0,2,0,0,0,0|0,0,0]=2 7869 B12R1.437 COc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_200000210301 [0,2,0,0,0,0|1,0,0]=3 7870 B12R1.437 COc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_200000210301 [0,2,0,0,0,0|1,0,0]=3 7871 B12R1.437 COc1cccc(c1[N+](=O)[O-])C 34a_100000740142_200000210301 [0,2,0,0,0,0|1,0,0]=3 7872 B12R1.437 COc1cccc(c1[N+](=O)[O-])C 7a_100000740142_200000210301 [0,2,0,0,0,0|1,0,0]=3 7873 B12R1.437 COc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_200000210301 [0,2,0,0,0,0|1,0,0]=3 7874 B12R1.437 COc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_200000210301 [0,2,0,0,0,0|1,0,0]=3 7875 B12R1.437 COc1cccc(c1[N+](=O)[O-])F 34a_100011217962_200000210301 [0,2,0,0,0,0|1,0,0]=3 7876 B12R1.437 COc1cccc(c1[N+](=O)[O-])F 7a_100011217962_200000210301 [0,2,0,0,0,0|1,0,0]=3 7877 B12R1.437 COc1cccc(c1[N+](=O)[O-])I 7a_100010150324_200000210301 [0,2,0,0,0,0|1,0,0]=3 7878 B12R1.437 CSc1cccc(c1C(=O)C)F 62a_100012351873_200000210301 [0,2,0,0,0,0|0,1,0]=3 7879 B12R1.437 CSc1cccc(c1C(=O)N)Cl 62a_100010147686_200000210301 [0,2,0,0,0,0|0,1,0]=3 7880 B12R1.437 CSc1cccc(c1C(=O)N)F 62a_100011219063_200000210301 [0,2,0,0,0,0|0,1,0]=3 7881 B12R1.437 CSc1cncc(c1C(=O)N)F 62a_100010271514_200000210301 [0,2,0,0,0,0|1,1,0]=4 7882 B12R1.437 CSc1cncc(c1C(=O)N)F 62a_200000210301_100010271514 [0,2,0,0,0,0|1,1,0]=4 7883 B12R1.437 CSc1nccc(c1C(=O)C)N 62a_200000210301_200010729368 [0,2,0,0,0,0|1,1,0]=4 7884 B12R1.437 CSc1nccc(c1C(=O)C)N 62a_200010729368_200000210301 [0,2,0,0,0,0|1,1,0]=4 7885 B12R1.437 Cc1cccc(c1C(=O)N)N[13CH3] 34a_100102558177_200025704644 [0,2,0,0,0,0|1,0,0]=3 7886 B12R1.437 Cc1cccc(c1C(=O)N)N[13CH3] 7a_100102558177_200025704644 [0,2,0,0,0,0|1,0,0]=3 7887 B12R1.437 Cc1cccc(c1[N+](=O)[O-])N[13CH3] 34a_100011424894_200025704644 [0,2,0,0,0,0|2,0,0]=4 7888 B12R1.437 Cc1cccc(c1[N+](=O)[O-])O[13CH3] 34a_100000740142_200025704644 [0,2,0,0,0,0|1,0,0]=3 7889 B12R1.437 Cc1cccc(c1[N+](=O)[O-])O[13CH3] 7a_100000740142_200025704644 [0,2,0,0,0,0|1,0,0]=3 7890 B12R1.437 [13CH3]C(=O)c1c(cccc1C#N)Br 1458a_200010145881_200025704644 [0,2,0,0,0,0|2,0,0]=4 7891 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)Cl 34a_100000764435_200025704644 [0,2,0,0,0,0|1,0,0]=3 7892 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)Cl 7a_100000764435_200025704644 [0,2,0,0,0,0|1,0,0]=3 7893 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)F 34a_100000036109_200025704644 [0,2,0,0,0,0|1,0,0]=3 7894 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)F 7a_100000036109_200025704644 [0,2,0,0,0,0|1,0,0]=3 7895 B12R1.437 [13CH3]Nc1cccc(c1[N+](=O)[O-])F 34a_100011219493_200025704644 [0,2,0,0,0,0|2,0,0]=4 7896 B12R1.437 [13CH3]Oc1cccc(c1C(=O)N)F 34a_100000701607_200025704644 [0,2,0,0,0,0|0,0,0]=2 7897 B12R1.437 [13CH3]Oc1cccc(c1C(=O)N)F 7a_100000701607_200025704644 [0,2,0,0,0,0|0,0,0]=2 7898 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_200025704644 [0,2,0,0,0,0|1,0,0]=3 7899 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_200025704644 [0,2,0,0,0,0|1,0,0]=3 7900 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_200025704644 [0,2,0,0,0,0|1,0,0]=3 7901 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_200025704644 [0,2,0,0,0,0|1,0,0]=3 7902 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])F 34a_100011217962_200025704644 [0,2,0,0,0,0|1,0,0]=3 7903 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])F 7a_100011217962_200025704644 [0,2,0,0,0,0|1,0,0]=3 7904 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])I 7a_100010150324_200025704644 [0,2,0,0,0,0|1,0,0]=3 7905 B12R1.437 [13CH3]Sc1cccc(c1C(=O)N)Cl 62a_100010147686_200025704644 [0,2,0,0,0,0|0,1,0]=3 7906 B12R1.437 [13CH3]Sc1cccc(c1C(=O)N)F 62a_100011219063_200025704644 [0,2,0,0,0,0|0,1,0]=3 7907 B12R1.437 [13CH3]Sc1cncc(c1C(=O)N)F 62a_100010271514_200025704644 [0,2,0,0,0,0|1,1,0]=4 7908 B12R1.437 [13CH3]Sc1cncc(c1C(=O)N)F 62a_200025704644_100010271514 [0,2,0,0,0,0|1,1,0]=4 7909 B12R1.741 C=Cc1c(ccc(c1C=O)F)C 271570a_100011290941_100000033498 [0,2,0,0,0,0|1,0,1]=4 7910 B12R1.741 C=Cc1c(ccc(c1C=O)F)F 271570a_100011290941_100000034233 [0,2,0,0,0,0|1,0,1]=4 7911 B12R1.741 C=Cc1c(ccc(c1C=O)O)F 271570a_100011290941_100010762561 [0,2,0,0,0,0|1,0,1]=4 7912 B12R1.741 C=Cc1c(ccc(c1C=O)O)O 271570a_100011290941_100010184888 [0,2,0,0,0,0|1,0,1]=4 7913 B12R1.741 C=Cc1c(ccc(c1OC)Br)F 271570a_100011290941_200034458476 [0,2,0,0,0,0|1,0,0]=3 7914 B12R1.741 C=Cc1c(ccc(c1OC)F)F 271570a_100011290941_100010254772 [0,2,0,0,0,0|1,0,0]=3 7915 B12R1.741 C=Cc1c(ccc(c1OC)N)F 271570a_100011290941_102516457224 [0,2,0,0,0,0|1,0,0]=3 7916 B12R1.741 CNc1c(ccc(c1OC)F)F 34a_100009873038_200000210301 [0,2,0,0,0,0|2,0,0]=4 7917 B12R1.741 COc1c(ccc(c1C=O)F)O 271570a_203496583355_100010204292 [0,2,0,0,0,0|0,0,0]=2 7918 B12R1.741 COc1c(ccc(c1N[13CH3])F)F 34a_100009873038_200025704644 [0,2,0,0,0,0|2,0,0]=4 7919 B12R1.741 COc1c(ccc(c1OC)Br)F 34a_200010167157_200000210301 [0,2,0,0,0,0|2,0,0]=4 7920 B12R1.741 COc1c(ccc(c1OC)F)F 34a_100000118042_200000210301 [0,2,0,0,0,0|2,0,0]=4 7921 B12R1.741 COc1c(ccc(c1OC)F)F 7a_100000118042_200000210301 [0,2,0,0,0,0|2,0,0]=4 7922 B12R1.741 COc1c(ccc(c1O[13CH3])F)Br 34a_200010167157_200025704644 [0,2,0,0,0,0|2,0,0]=4 7923 B12R1.741 COc1c(ccc(c1O[13CH3])F)F 34a_100000118042_200025704644 [0,2,0,0,0,0|2,0,0]=4 7924 B12R1.741 COc1c(ccc(c1O[13CH3])F)F 7a_100000118042_200025704644 [0,2,0,0,0,0|2,0,0]=4 7925 B12R1.741 COc1c(ccc(c1SC)F)Br 62a_200000210301_200034458476 [0,2,0,0,0,0|2,0,0]=4 7926 B12R1.741 COc1c(ccc(c1SC)F)Br 62a_200034458476_200000210301 [0,2,0,0,0,0|2,0,0]=4 7927 B12R1.741 COc1c(ccc(c1SC)F)F 62a_100010254772_200000210301 [0,2,0,0,0,0|2,0,0]=4 7928 B12R1.741 COc1c(ccc(c1SC)F)F 62a_200000210301_100010254772 [0,2,0,0,0,0|2,0,0]=4 7929 B12R1.741 COc1c(ccc(c1SC)F)N 62a_102516457224_200000210301 [0,2,0,0,0,0|2,0,0]=4 7930 B12R1.741 COc1c(ccc(c1SC)F)N 62a_200000210301_102516457224 [0,2,0,0,0,0|2,0,0]=4 7931 B12R1.741 COc1c(ccc(c1S[13CH3])F)Br 62a_200025704644_200034458476 [0,2,0,0,0,0|2,0,0]=4 7932 B12R1.741 COc1c(ccc(c1S[13CH3])F)Br 62a_200034458476_200025704644 [0,2,0,0,0,0|2,0,0]=4 7933 B12R1.741 COc1c(ccc(c1S[13CH3])F)F 62a_100010254772_200025704644 [0,2,0,0,0,0|2,0,0]=4 7934 B12R1.741 COc1c(ccc(c1S[13CH3])F)F 62a_200025704644_100010254772 [0,2,0,0,0,0|2,0,0]=4 7935 B12R1.741 COc1c(ccc(c1S[13CH3])F)N 62a_102516457224_200025704644 [0,2,0,0,0,0|2,0,0]=4 7936 B12R1.741 COc1c(ccc(c1S[13CH3])F)N 62a_200025704644_102516457224 [0,2,0,0,0,0|2,0,0]=4 7937 B12R1.741 CSc1c(ccc(c1C=O)F)C 62a_100000033498_200000210301 [0,2,0,0,0,0|0,1,0]=3 7938 B12R1.741 CSc1c(ccc(c1C=O)F)C 62a_200000210301_100000033498 [0,2,0,0,0,0|0,1,0]=3 7939 B12R1.741 CSc1c(ccc(c1C=O)F)F 62a_100000034233_200000210301 [0,2,0,0,0,0|0,1,0]=3 7940 B12R1.741 CSc1c(ccc(c1C=O)F)F 62a_200000210301_100000034233 [0,2,0,0,0,0|0,1,0]=3 7941 B12R1.741 CSc1c(ccc(c1C=O)O)F 62a_200000210301_100010762561 [0,2,0,0,0,0|0,1,0]=3 7942 B12R1.741 CSc1c(ccc(c1C=O)O)O 62a_200000210301_100010184888 [0,2,0,0,0,0|0,1,0]=3 7943 B12R1.741 Cc1ccc(c(c1S[13CH3])C=O)F 62a_100000033498_200025704644 [0,2,0,0,0,0|0,1,0]=3 7944 B12R1.741 Cc1ccc(c(c1S[13CH3])C=O)F 62a_200025704644_100000033498 [0,2,0,0,0,0|0,1,0]=3 7945 B12R1.741 [13CH3]Sc1c(ccc(c1C=O)F)F 62a_100000034233_200025704644 [0,2,0,0,0,0|0,1,0]=3 7946 B12R1.741 [13CH3]Sc1c(ccc(c1C=O)F)F 62a_200025704644_100000034233 [0,2,0,0,0,0|0,1,0]=3 7947 B12R1.741 [13CH3]Sc1c(ccc(c1C=O)O)F 62a_200025704644_100010762561 [0,2,0,0,0,0|0,1,0]=3 7948 B12R1.741 [13CH3]Sc1c(ccc(c1C=O)O)O 62a_200025704644_100010184888 [0,2,0,0,0,0|0,1,0]=3 7949 B12R1.1879 C=Cc1c(cccc1C=O)C#N 271570a_100011290941_100010133059 [0,2,0,0,0,0|1,0,1]=4 7950 B12R1.1879 C=Cc1c(cccc1CC)CC 271570a_100011290941_100010212195 [0,2,0,0,0,0|2,0,0]=4 7951 B12R1.1879 C=Cc1c(cccc1OC)CO 271570a_100011290941_100010236476 [0,2,0,0,0,0|1,0,0]=3 7952 B12R1.1879 C=Cc1c(cccc1OC)OC 271570a_100011290941_100000050062 [0,2,0,0,0,0|1,0,0]=3 7953 B12R1.1879 C=Cc1c(ccnc1OC)C#N 271570a_100011290941_200000050020 [0,2,0,0,0,0|2,0,0]=4 7954 B12R1.1879 C=Cc1c(ccnc1OC)OC 271570a_100011290941_100010114374 [0,2,0,0,0,0|2,0,0]=4 7955 B12R1.1879 C=Cc1c(cncc1OC)OC 271570a_100011290941_200010191558 [0,2,0,0,0,0|2,0,0]=4 7956 B12R1.1879 C=Cc1cccc(c1C#N)C=O 271570a_100011290941_100000100183 [0,2,0,0,0,0|2,0,0]=4 7957 B12R1.1879 C=Cc1cccc(c1C#N)OC 271570a_100011290941_100012356440 [0,2,0,0,0,0|1,0,1]=4 7958 B12R1.1879 C=Cc1cccc(c1C=O)OC 271570a_100011290941_100009814803 [0,2,0,0,0,0|0,0,0]=2 7959 B12R1.1879 C=Cc1cccc(c1OC)C#N 271570a_100011290941_100009817008 [0,2,0,0,0,0|1,0,0]=3 7960 B12R1.1879 C=Cc1cccc(c1OC)C=O 271570a_100011290941_100000692592 [0,2,0,0,0,0|0,0,0]=2 7961 B12R1.1879 C=Cc1cccc(c1OC)CO 271570a_100011290941_100000704359 [0,2,0,0,0,0|1,0,0]=3 7962 B12R1.1879 C=Cc1cccc(c1OC)OC 271570a_100011290941_100009815961 [0,2,0,0,0,0|1,0,0]=3 7963 B12R1.1879 C=Cc1ccnc(c1C=O)OC 271570a_100011290941_100010160771 [0,2,0,0,0,0|1,0,0]=3 7964 B12R1.1879 C=Cc1ccnc(c1OC)CO 271570a_100011290941_100009869429 [0,2,0,0,0,0|2,0,0]=4 7965 B12R1.1879 C=Cc1cncc(c1OC)C#N 271570a_100011290941_100016142170 [0,2,0,0,0,0|2,0,0]=4 7966 B12R1.1879 C=Cc1cncc(c1OC)C=O 271570a_100011290941_100015834815 [0,2,0,0,0,0|1,0,0]=3 7967 B12R1.1879 C=Cc1nccc(c1C=O)OC 271570a_100011290941_100009860067 [0,2,0,0,0,0|1,0,0]=3 7968 B12R1.1879 C=Cc1nccc(c1OC)C=O 271570a_100011290941_200009814792 [0,2,0,0,0,0|1,0,0]=3 7969 B12R1.1879 CCc1cccc(c1OC)CC 34a_100000078057_200000210301 [0,2,0,0,0,0|1,0,1]=4 7970 B12R1.1879 CCc1cccc(c1OC)CC 7a_100000078057_200000210301 [0,2,0,0,0,0|1,0,1]=4 7971 B12R1.1879 CCc1cccc(c1O[13CH3])CC 34a_100000078057_200025704644 [0,2,0,0,0,0|1,0,1]=4 7972 B12R1.1879 CCc1cccc(c1O[13CH3])CC 7a_100000078057_200025704644 [0,2,0,0,0,0|1,0,1]=4 7973 B12R1.1879 CNc1c(cccc1OC)C#N 2230a_100000722693_200000210301 [0,2,0,0,0,0|2,0,0]=4 7974 B12R1.1879 CNc1c(cccc1OC)CO 34a_100011999522_200000210301 [0,2,0,0,0,0|2,0,0]=4 7975 B12R1.1879 CNc1c(cccc1OC)OC 2230a_100011218430_200000210301 [0,2,0,0,0,0|2,0,0]=4 7976 B12R1.1879 CNc1c(cccc1OC)OC 34a_100011218430_200000210301 [0,2,0,0,0,0|2,0,0]=4 7977 B12R1.1879 CNc1c(cccc1SC)OC 2230a_200012283368_200000210301 [0,2,0,0,0,0|2,0,0]=4 7978 B12R1.1879 CNc1c(cccc1SC)OC 34a_200012283368_200000210301 [0,2,0,0,0,0|2,0,0]=4 7979 B12R1.1879 CNc1cccc(c1OC)C#N 34a_100000128487_200000210301 [0,2,0,0,0,0|1,0,1]=4 7980 B12R1.1879 CNc1cccc(c1OC)OC 34a_100011217386_200000210301 [0,2,0,0,0,0|2,0,0]=4 7981 B12R1.1879 COc1c(cccc1N[13CH3])C#N 34a_100000128487_200025704644 [0,2,0,0,0,0|1,0,1]=4 7982 B12R1.1879 COc1c(cccc1O[13CH3])C#N 34a_200009874251_200025704644 [0,2,0,0,0,0|1,0,1]=4 7983 B12R1.1879 COc1c(cccc1SC)C#N 62a_200000210301_100009817008 [0,2,0,0,0,0|1,0,1]=4 7984 B12R1.1879 COc1c(cccc1SC)C=O 62a_100000692592_200000210301 [0,2,0,0,0,0|0,0,0]=2 7985 B12R1.1879 COc1c(cccc1SC)C=O 62a_200000210301_100000692592 [0,2,0,0,0,0|0,0,0]=2 7986 B12R1.1879 COc1c(cccc1SC)CO 62a_100000704359_200000210301 [0,2,0,0,0,0|0,0,2]=4 7987 B12R1.1879 COc1c(cccc1SC)CO 62a_200000210301_100000704359 [0,2,0,0,0,0|0,0,2]=4 7988 B12R1.1879 COc1c(cccc1S[13CH3])C#N 62a_200025704644_100009817008 [0,2,0,0,0,0|1,0,1]=4 7989 B12R1.1879 COc1c(cccc1S[13CH3])C=O 62a_100000692592_200025704644 [0,2,0,0,0,0|0,0,0]=2 7990 B12R1.1879 COc1c(cccc1S[13CH3])C=O 62a_200025704644_100000692592 [0,2,0,0,0,0|0,0,0]=2 7991 B12R1.1879 COc1c(cccc1S[13CH3])CO 62a_100000704359_200025704644 [0,2,0,0,0,0|0,0,2]=4 7992 B12R1.1879 COc1c(cccc1S[13CH3])CO 62a_200025704644_100000704359 [0,2,0,0,0,0|0,0,2]=4 7993 B12R1.1879 COc1c(ccnc1SC)C=O 62a_200000210301_100009863717 [0,2,0,0,0,0|1,0,0]=3 7994 B12R1.1879 COc1c(ccnc1SC)C=O 62a_200009814792_200000210301 [0,2,0,0,0,0|1,0,0]=3 7995 B12R1.1879 COc1c(ccnc1S[13CH3])C=O 62a_200009814792_200025704644 [0,2,0,0,0,0|1,0,0]=3 7996 B12R1.1879 COc1c(ccnc1S[13CH3])C=O 62a_200025704644_100009863717 [0,2,0,0,0,0|1,0,0]=3 7997 B12R1.1879 COc1c(cncc1SC)C=O 62a_100015834815_200000210301 [0,2,0,0,0,0|1,0,0]=3 7998 B12R1.1879 COc1c(cncc1SC)C=O 62a_200000210301_100015834815 [0,2,0,0,0,0|1,0,0]=3 7999 B12R1.1879 COc1c(cncc1S[13CH3])C=O 62a_100015834815_200025704644 [0,2,0,0,0,0|1,0,0]=3 8000 B12R1.1879 COc1c(cncc1S[13CH3])C=O 62a_200025704644_100015834815 [0,2,0,0,0,0|1,0,0]=3 8001 B12R1.1879 COc1cccc(c1C#N)SC 62a_200000210301_100012356440 [0,2,0,0,0,0|1,0,1]=4 8002 B12R1.1879 COc1cccc(c1C#N)S[13CH3] 62a_200025704644_100012356440 [0,2,0,0,0,0|1,0,1]=4 8003 B12R1.1879 COc1cccc(c1C=O)SC 62a_100009814803_200000210301 [0,2,0,0,0,0|0,0,0]=2 8004 B12R1.1879 COc1cccc(c1C=O)S[13CH3] 62a_100009814803_200025704644 [0,2,0,0,0,0|0,0,0]=2 8005 B12R1.1879 COc1cccc(c1N[13CH3])C#N 2230a_100000722693_200025704644 [0,2,0,0,0,0|2,0,0]=4 8006 B12R1.1879 COc1cccc(c1N[13CH3])CO 34a_100011999522_200025704644 [0,2,0,0,0,0|2,0,0]=4 8007 B12R1.1879 COc1cccc(c1N[13CH3])OC 2230a_100011218430_200025704644 [0,2,0,0,0,0|2,0,0]=4 8008 B12R1.1879 COc1cccc(c1N[13CH3])OC 34a_100011218430_200025704644 [0,2,0,0,0,0|2,0,0]=4 8009 B12R1.1879 COc1cccc(c1N[13CH3])SC 2230a_200012283368_200025704644 [0,2,0,0,0,0|2,0,0]=4 8010 B12R1.1879 COc1cccc(c1N[13CH3])SC 34a_200012283368_200025704644 [0,2,0,0,0,0|2,0,0]=4 8011 B12R1.1879 COc1cccc(c1OC)C#N 34a_100011934230_200000210301 [0,2,0,0,0,0|1,0,1]=4 8012 B12R1.1879 COc1cccc(c1OC)C#N 34a_200009874251_200000210301 [0,2,0,0,0,0|1,0,1]=4 8013 B12R1.1879 COc1cccc(c1OC)CO 34a_100011218668_200000210301 [0,2,0,0,0,0|0,0,2]=4 8014 B12R1.1879 COc1cccc(c1OC)N[13CH3] 34a_100011217386_200025704644 [0,2,0,0,0,0|2,0,0]=4 8015 B12R1.1879 COc1cccc(c1OC)OC 34a_100000032319_200000210301 [0,2,0,0,0,0|2,0,0]=4 8016 B12R1.1879 COc1cccc(c1OC)OC 34a_100000211025_200000210301 [0,2,0,0,0,0|2,0,0]=4 8017 B12R1.1879 COc1cccc(c1OC)O[13CH3] 34a_100000032319_200025704644 [0,2,0,0,0,0|2,0,0]=4 8018 B12R1.1879 COc1cccc(c1OC)SC 62a_200000210301_100010163134 [0,2,0,0,0,0|2,0,0]=4 8019 B12R1.1879 COc1cccc(c1OC)S[13CH3] 62a_200025704644_100010163134 [0,2,0,0,0,0|2,0,0]=4 8020 B12R1.1879 COc1cccc(c1O[13CH3])C#N 34a_100011934230_200025704644 [0,2,0,0,0,0|1,0,1]=4 8021 B12R1.1879 COc1cccc(c1O[13CH3])CO 34a_100011218668_200025704644 [0,2,0,0,0,0|0,0,2]=4 8022 B12R1.1879 COc1cccc(c1O[13CH3])OC 34a_100000211025_200025704644 [0,2,0,0,0,0|2,0,0]=4 8023 B12R1.1879 COc1cccc(c1SC)C=O 62a_100010209554_200000210301 [0,2,0,0,0,0|0,1,0]=3 8024 B12R1.1879 COc1cccc(c1SC)C=O 62a_200000210301_100010209554 [0,2,0,0,0,0|0,1,0]=3 8025 B12R1.1879 COc1cccc(c1SC)CO 62a_100010236476_200000210301 [0,2,0,0,0,0|2,0,0]=4 8026 B12R1.1879 COc1cccc(c1SC)CO 62a_200000210301_100010236476 [0,2,0,0,0,0|2,0,0]=4 8027 B12R1.1879 COc1cccc(c1SC)OC 62a_100000690108_200000210301 [0,2,0,0,0,0|2,0,0]=4 8028 B12R1.1879 COc1cccc(c1SC)OC 62a_200000210301_100000690108 [0,2,0,0,0,0|2,0,0]=4 8029 B12R1.1879 COc1cccc(c1S[13CH3])C=O 62a_100010209554_200025704644 [0,2,0,0,0,0|0,1,0]=3 8030 B12R1.1879 COc1cccc(c1S[13CH3])C=O 62a_200025704644_100010209554 [0,2,0,0,0,0|0,1,0]=3 8031 B12R1.1879 COc1cccc(c1S[13CH3])CO 62a_100010236476_200025704644 [0,2,0,0,0,0|2,0,0]=4 8032 B12R1.1879 COc1cccc(c1S[13CH3])CO 62a_200025704644_100010236476 [0,2,0,0,0,0|2,0,0]=4 8033 B12R1.1879 COc1cccc(c1S[13CH3])OC 62a_100000690108_200025704644 [0,2,0,0,0,0|2,0,0]=4 8034 B12R1.1879 COc1cccc(c1S[13CH3])OC 62a_200025704644_100000690108 [0,2,0,0,0,0|2,0,0]=4 8035 B12R1.1879 COc1ccnc(c1C=O)SC 62a_200000210301_100009860067 [0,2,0,0,0,0|1,0,0]=3 8036 B12R1.1879 COc1ccnc(c1C=O)S[13CH3] 62a_200025704644_100009860067 [0,2,0,0,0,0|1,0,0]=3 8037 B12R1.1879 COc1nccc(c1C=O)SC 62a_100010160771_200000210301 [0,2,0,0,0,0|1,0,0]=3 8038 B12R1.1879 COc1nccc(c1C=O)SC 62a_200000210301_100010160771 [0,2,0,0,0,0|1,0,0]=3 8039 B12R1.1879 COc1nccc(c1C=O)S[13CH3] 62a_100010160771_200025704644 [0,2,0,0,0,0|1,0,0]=3 8040 B12R1.1879 COc1nccc(c1C=O)S[13CH3] 62a_200025704644_100010160771 [0,2,0,0,0,0|1,0,0]=3 8041 B12R1.1879 CSc1c(cccc1C=O)C#N 62a_200000210301_100010133059 [0,2,0,0,0,0|0,1,0]=3 8042 B12R1.1879 CSc1c(cccc1C=O)C=O 62a_100010196191_200000210301 [0,2,0,0,0,0|0,1,0]=3 8043 B12R1.1879 CSc1c(cccc1C=O)C=O 62a_200000210301_100010196191 [0,2,0,0,0,0|0,1,0]=3 8044 B12R1.1879 CSc1cccc(c1C#N)C=O 62a_200000210301_100000100183 [0,2,0,0,0,0|2,0,0]=4 8045 B12R1.1879 [13CH3]Sc1c(cccc1C=O)C#N 62a_200025704644_100010133059 [0,2,0,0,0,0|0,1,0]=3 8046 B12R1.1879 [13CH3]Sc1c(cccc1C=O)C=O 62a_100010196191_200025704644 [0,2,0,0,0,0|0,1,0]=3 8047 B12R1.1879 [13CH3]Sc1c(cccc1C=O)C=O 62a_200025704644_100010196191 [0,2,0,0,0,0|0,1,0]=3 8048 B12R1.1879 [13CH3]Sc1cccc(c1C#N)C=O 62a_200025704644_100000100183 [0,2,0,0,0,0|2,0,0]=4 8049 B10R1.19 COc1cccccc1=O 34a_100000036025_200000210301 [0,0,1,1,0,0|2,0,0]=4 8050 B10R1.19 COc1cccccc1=O 7a_100000036025_200000210301 [0,0,1,1,0,0|2,0,0]=4 8051 B10R1.19 [13CH3]Oc1cccccc1=O 34a_100000036025_200025704644 [0,0,1,1,0,0|2,0,0]=4 8052 B10R1.19 [13CH3]Oc1cccccc1=O 7a_100000036025_200025704644 [0,0,1,1,0,0|2,0,0]=4 8053 B10R1.35 C=Cc1cc(sc1C)C=O 271570a_100011290941_100000708457 [0,0,1,1,0,0|2,0,0]=4 8054 B10R1.35 C=Cc1sc(cc1C)C=O 271570a_100011290941_100000761930 [0,0,1,1,0,0|2,0,0]=4 8055 B10R1.172 C=Cc1cc(ccn1)C=O 271570a_100011290941_100011290808 [0,0,1,1,0,0|2,0,0]=4 8056 B10R1.172 C=Cc1cc(ccn1)CC 271570a_100011290941_100009817561 [0,0,1,1,0,0|2,0,0]=4 8057 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [0,0,1,1,0,0|2,0,0]=4 8058 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [0,0,1,1,0,0|1,0,0]=3 8059 B10R1.172 C=Cc1cc(ccn1)SC 271570a_100011290941_100010883326 [0,0,1,1,0,0|1,1,0]=4 8060 B10R1.172 C=Cc1cc(ccn1)SC 62a_100009845566_200000210301 [0,0,1,1,0,0|1,1,0]=4 8061 B10R1.172 C=Cc1cc(ccn1)SC 62a_200000210301_100009845566 [0,0,1,1,0,0|1,1,0]=4 8062 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_100009845566_200025704644 [0,0,1,1,0,0|1,1,0]=4 8063 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_200025704644_100009845566 [0,0,1,1,0,0|1,1,0]=4 8064 B10R1.172 C=Cc1cc(cnn1)OC 271570a_100011290941_100000087634 [0,0,1,1,0,0|2,0,0]=4 8065 B10R1.172 C=Cc1cc(ncn1)OC 271570a_100011290941_100012187182 [0,0,1,1,0,0|2,0,0]=4 8066 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [0,0,1,1,0,0|1,0,1]=4 8067 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [0,0,1,1,0,0|2,0,0]=4 8068 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [0,0,1,1,0,0|2,0,0]=4 8069 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [0,0,1,1,0,0|2,0,0]=4 8070 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [0,0,1,1,0,0|2,0,0]=4 8071 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [0,0,1,1,0,0|1,0,0]=3 8072 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [0,0,1,1,0,0|1,0,0]=3 8073 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [0,0,1,1,0,0|1,0,0]=3 8074 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [0,0,1,1,0,0|1,0,0]=3 8075 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [0,0,1,1,0,0|1,0,0]=3 8076 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [0,0,1,1,0,0|1,1,0]=4 8077 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [0,0,1,1,0,0|1,1,0]=4 8078 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [0,0,1,1,0,0|1,1,0]=4 8079 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [0,0,1,1,0,0|1,1,0]=4 8080 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [0,0,1,1,0,0|1,1,0]=4 8081 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [0,0,1,1,0,0|2,0,0]=4 8082 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [0,0,1,1,0,0|2,0,0]=4 8083 B10R1.172 C=Cc1cncc(c1)C=O 271570a_100011290941_100000687066 [0,0,1,1,0,0|1,0,1]=4 8084 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [0,0,1,1,0,0|2,0,0]=4 8085 B10R1.172 C=Cc1nccc(n1)OC 271570a_100011290941_100000182009 [0,0,1,1,0,0|2,0,0]=4 8086 B10R1.176 COc1ccc(c(c1)Br)C 34a_100011380479_200000210301 [0,0,1,1,0,0|1,0,1]=4 8087 B10R1.176 COc1ccc(c(c1)Br)C 7a_100011380479_200000210301 [0,0,1,1,0,0|1,0,1]=4 8088 B10R1.176 COc1ccc(c(c1)Br)Cl 34a_100011933957_200000210301 [0,0,1,1,0,0|2,0,0]=4 8089 B10R1.176 COc1ccc(c(c1)Br)Cl 7a_100011933957_200000210301 [0,0,1,1,0,0|2,0,0]=4 8090 B10R1.176 COc1ccc(c(c1)Br)F 34a_100000693481_200000210301 [0,0,1,1,0,0|2,0,0]=4 8091 B10R1.176 COc1ccc(c(c1)Br)F 7a_100000693481_200000210301 [0,0,1,1,0,0|2,0,0]=4 8092 B10R1.176 COc1ccc(c(c1)Br)I 34a_100000701344_200000210301 [0,0,1,1,0,0|2,0,0]=4 8093 B10R1.176 COc1ccc(c(c1)Br)I 7a_100000701344_200000210301 [0,0,1,1,0,0|2,0,0]=4 8094 B10R1.176 COc1ccc(c(c1)Br)N 34a_100012001276_200000210301 [0,0,1,1,0,0|2,0,0]=4 8095 B10R1.176 COc1ccc(c(c1)Br)N 7a_100012001276_200000210301 [0,0,1,1,0,0|2,0,0]=4 8096 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [0,0,1,1,0,0|2,0,0]=4 8097 B10R1.176 COc1ccc(c(c1)C)Br 34a_100000690111_200000210301 [0,0,1,1,0,0|2,0,0]=4 8098 B10R1.176 COc1ccc(c(c1)C)Br 7a_100000690111_200000210301 [0,0,1,1,0,0|2,0,0]=4 8099 B10R1.176 COc1ccc(c(c1)C)C 34a_100000210932_200000210301 [0,0,1,1,0,0|1,0,1]=4 8100 B10R1.176 COc1ccc(c(c1)C)C 7a_100000210932_200000210301 [0,0,1,1,0,0|1,0,1]=4 8101 B10R1.176 COc1ccc(c(c1)C)Cl 34a_100000211092_200000210301 [0,0,1,1,0,0|2,0,0]=4 8102 B10R1.176 COc1ccc(c(c1)C)Cl 7a_100000211092_200000210301 [0,0,1,1,0,0|2,0,0]=4 8103 B10R1.176 COc1ccc(c(c1)C)F 34a_100000751312_200000210301 [0,0,1,1,0,0|2,0,0]=4 8104 B10R1.176 COc1ccc(c(c1)C)F 7a_100000751312_200000210301 [0,0,1,1,0,0|2,0,0]=4 8105 B10R1.176 COc1ccc(c(c1)C)I 34a_100000729255_200000210301 [0,0,1,1,0,0|2,0,0]=4 8106 B10R1.176 COc1ccc(c(c1)C)I 7a_100000729255_200000210301 [0,0,1,1,0,0|2,0,0]=4 8107 B10R1.176 COc1ccc(c(c1)C)N 34a_100000756630_200000210301 [0,0,1,1,0,0|2,0,0]=4 8108 B10R1.176 COc1ccc(c(c1)C)N 7a_100000756630_200000210301 [0,0,1,1,0,0|2,0,0]=4 8109 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [0,0,1,1,0,0|2,0,0]=4 8110 B10R1.176 COc1ccc(c(c1)Cl)Br 34a_100011215161_200000210301 [0,0,1,1,0,0|2,0,0]=4 8111 B10R1.176 COc1ccc(c(c1)Cl)Br 7a_100011215161_200000210301 [0,0,1,1,0,0|2,0,0]=4 8112 B10R1.176 COc1ccc(c(c1)Cl)C 34a_100011265682_200000210301 [0,0,1,1,0,0|1,0,1]=4 8113 B10R1.176 COc1ccc(c(c1)Cl)C 7a_100011265682_200000210301 [0,0,1,1,0,0|1,0,1]=4 8114 B10R1.176 COc1ccc(c(c1)Cl)Cl 34a_100000211054_200000210301 [0,0,1,1,0,0|2,0,0]=4 8115 B10R1.176 COc1ccc(c(c1)Cl)Cl 7a_100000211054_200000210301 [0,0,1,1,0,0|2,0,0]=4 8116 B10R1.176 COc1ccc(c(c1)Cl)F 34a_100000211030_200000210301 [0,0,1,1,0,0|2,0,0]=4 8117 B10R1.176 COc1ccc(c(c1)Cl)F 7a_100000211030_200000210301 [0,0,1,1,0,0|2,0,0]=4 8118 B10R1.176 COc1ccc(c(c1)Cl)I 34a_100000047559_200000210301 [0,0,1,1,0,0|2,0,0]=4 8119 B10R1.176 COc1ccc(c(c1)Cl)I 7a_100000047559_200000210301 [0,0,1,1,0,0|2,0,0]=4 8120 B10R1.176 COc1ccc(c(c1)Cl)N 34a_100011215599_200000210301 [0,0,1,1,0,0|2,0,0]=4 8121 B10R1.176 COc1ccc(c(c1)Cl)N 7a_100011215599_200000210301 [0,0,1,1,0,0|2,0,0]=4 8122 B10R1.176 COc1ccc(c(c1)F)Br 34a_100000755031_200000210301 [0,0,1,1,0,0|2,0,0]=4 8123 B10R1.176 COc1ccc(c(c1)F)Br 7a_100000755031_200000210301 [0,0,1,1,0,0|2,0,0]=4 8124 B10R1.176 COc1ccc(c(c1)F)C 34a_100000722560_200000210301 [0,0,1,1,0,0|1,0,1]=4 8125 B10R1.176 COc1ccc(c(c1)F)C 7a_100000722560_200000210301 [0,0,1,1,0,0|1,0,1]=4 8126 B10R1.176 COc1ccc(c(c1)F)Cl 34a_100000691581_200000210301 [0,0,1,1,0,0|2,0,0]=4 8127 B10R1.176 COc1ccc(c(c1)F)Cl 7a_100000691581_200000210301 [0,0,1,1,0,0|2,0,0]=4 8128 B10R1.176 COc1ccc(c(c1)F)F 34a_100000181275_200000210301 [0,0,1,1,0,0|2,0,0]=4 8129 B10R1.176 COc1ccc(c(c1)F)F 7a_100000181275_200000210301 [0,0,1,1,0,0|2,0,0]=4 8130 B10R1.176 COc1ccc(c(c1)F)I 34a_100009990212_200000210301 [0,0,1,1,0,0|2,0,0]=4 8131 B10R1.176 COc1ccc(c(c1)F)I 7a_100009990212_200000210301 [0,0,1,1,0,0|2,0,0]=4 8132 B10R1.176 COc1ccc(c(c1)F)N 34a_100000759473_200000210301 [0,0,1,1,0,0|2,0,0]=4 8133 B10R1.176 COc1ccc(c(c1)F)N 7a_100000759473_200000210301 [0,0,1,1,0,0|2,0,0]=4 8134 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [0,0,1,1,0,0|2,0,0]=4 8135 B10R1.176 COc1ccc(c(c1)I)Br 34a_100012339312_200000210301 [0,0,1,1,0,0|2,0,0]=4 8136 B10R1.176 COc1ccc(c(c1)I)Br 7a_100012339312_200000210301 [0,0,1,1,0,0|2,0,0]=4 8137 B10R1.176 COc1ccc(c(c1)I)Cl 34a_100000049588_200000210301 [0,0,1,1,0,0|2,0,0]=4 8138 B10R1.176 COc1ccc(c(c1)I)Cl 7a_100000049588_200000210301 [0,0,1,1,0,0|2,0,0]=4 8139 B10R1.176 COc1ccc(c(c1)I)N 34a_100010084370_200000210301 [0,0,1,1,0,0|2,0,0]=4 8140 B10R1.176 COc1ccc(c(c1)I)N 7a_100010084370_200000210301 [0,0,1,1,0,0|2,0,0]=4 8141 B10R1.176 COc1ccc(c(c1)N)Br 34a_100011999798_200000210301 [0,0,1,1,0,0|2,0,0]=4 8142 B10R1.176 COc1ccc(c(c1)N)Br 7a_100011999798_200000210301 [0,0,1,1,0,0|2,0,0]=4 8143 B10R1.176 COc1ccc(c(c1)N)C 34a_100011216113_200000210301 [0,0,1,1,0,0|1,0,1]=4 8144 B10R1.176 COc1ccc(c(c1)N)C 7a_100011216113_200000210301 [0,0,1,1,0,0|1,0,1]=4 8145 B10R1.176 COc1ccc(c(c1)N)Cl 34a_100011934297_200000210301 [0,0,1,1,0,0|2,0,0]=4 8146 B10R1.176 COc1ccc(c(c1)N)F 34a_100012017239_200000210301 [0,0,1,1,0,0|2,0,0]=4 8147 B10R1.176 COc1ccc(c(c1)N)F 7a_100012017239_200000210301 [0,0,1,1,0,0|2,0,0]=4 8148 B10R1.176 COc1ccc(c(c1)N)N 34a_100025771000_200000210301 [0,0,1,1,0,0|2,0,0]=4 8149 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [0,0,1,1,0,0|2,0,0]=4 8150 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [0,0,1,1,0,0|1,0,1]=4 8151 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [0,0,1,1,0,0|0,0,2]=4 8152 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [0,0,1,1,0,0|1,0,1]=4 8153 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [0,0,1,1,0,0|1,0,1]=4 8154 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [0,0,1,1,0,0|1,0,1]=4 8155 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [0,0,1,1,0,0|1,0,1]=4 8156 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [0,0,1,1,0,0|1,0,1]=4 8157 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 34a_100000690111_200025704644 [0,0,1,1,0,0|2,0,0]=4 8158 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 7a_100000690111_200025704644 [0,0,1,1,0,0|2,0,0]=4 8159 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 34a_100000211092_200025704644 [0,0,1,1,0,0|2,0,0]=4 8160 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 7a_100000211092_200025704644 [0,0,1,1,0,0|2,0,0]=4 8161 B10R1.176 Cc1cc(ccc1F)O[13CH3] 34a_100000751312_200025704644 [0,0,1,1,0,0|2,0,0]=4 8162 B10R1.176 Cc1cc(ccc1F)O[13CH3] 7a_100000751312_200025704644 [0,0,1,1,0,0|2,0,0]=4 8163 B10R1.176 Cc1cc(ccc1I)O[13CH3] 34a_100000729255_200025704644 [0,0,1,1,0,0|2,0,0]=4 8164 B10R1.176 Cc1cc(ccc1I)O[13CH3] 7a_100000729255_200025704644 [0,0,1,1,0,0|2,0,0]=4 8165 B10R1.176 Cc1cc(ccc1N)O[13CH3] 34a_100000756630_200025704644 [0,0,1,1,0,0|2,0,0]=4 8166 B10R1.176 Cc1cc(ccc1N)O[13CH3] 7a_100000756630_200025704644 [0,0,1,1,0,0|2,0,0]=4 8167 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [0,0,1,1,0,0|2,0,0]=4 8168 B10R1.176 Cc1ccc(cc1Br)O[13CH3] 34a_100011380479_200025704644 [0,0,1,1,0,0|1,0,1]=4 8169 B10R1.176 Cc1ccc(cc1Br)O[13CH3] 7a_100011380479_200025704644 [0,0,1,1,0,0|1,0,1]=4 8170 B10R1.176 Cc1ccc(cc1C)O[13CH3] 34a_100000210932_200025704644 [0,0,1,1,0,0|1,0,1]=4 8171 B10R1.176 Cc1ccc(cc1C)O[13CH3] 7a_100000210932_200025704644 [0,0,1,1,0,0|1,0,1]=4 8172 B10R1.176 Cc1ccc(cc1Cl)O[13CH3] 34a_100011265682_200025704644 [0,0,1,1,0,0|1,0,1]=4 8173 B10R1.176 Cc1ccc(cc1Cl)O[13CH3] 7a_100011265682_200025704644 [0,0,1,1,0,0|1,0,1]=4 8174 B10R1.176 Cc1ccc(cc1F)O[13CH3] 34a_100000722560_200025704644 [0,0,1,1,0,0|1,0,1]=4 8175 B10R1.176 Cc1ccc(cc1F)O[13CH3] 7a_100000722560_200025704644 [0,0,1,1,0,0|1,0,1]=4 8176 B10R1.176 Cc1ccc(cc1N)O[13CH3] 34a_100011216113_200025704644 [0,0,1,1,0,0|1,0,1]=4 8177 B10R1.176 Cc1ccc(cc1N)O[13CH3] 7a_100011216113_200025704644 [0,0,1,1,0,0|1,0,1]=4 8178 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)Cl 34a_100011933957_200025704644 [0,0,1,1,0,0|2,0,0]=4 8179 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)Cl 7a_100011933957_200025704644 [0,0,1,1,0,0|2,0,0]=4 8180 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)F 34a_100000693481_200025704644 [0,0,1,1,0,0|2,0,0]=4 8181 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)F 7a_100000693481_200025704644 [0,0,1,1,0,0|2,0,0]=4 8182 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)I 34a_100000701344_200025704644 [0,0,1,1,0,0|2,0,0]=4 8183 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)I 7a_100000701344_200025704644 [0,0,1,1,0,0|2,0,0]=4 8184 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)N 34a_100012001276_200025704644 [0,0,1,1,0,0|2,0,0]=4 8185 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)N 7a_100012001276_200025704644 [0,0,1,1,0,0|2,0,0]=4 8186 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Br 34a_100011215161_200025704644 [0,0,1,1,0,0|2,0,0]=4 8187 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Br 7a_100011215161_200025704644 [0,0,1,1,0,0|2,0,0]=4 8188 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Cl 34a_100000211054_200025704644 [0,0,1,1,0,0|2,0,0]=4 8189 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Cl 7a_100000211054_200025704644 [0,0,1,1,0,0|2,0,0]=4 8190 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)F 34a_100000211030_200025704644 [0,0,1,1,0,0|2,0,0]=4 8191 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)F 7a_100000211030_200025704644 [0,0,1,1,0,0|2,0,0]=4 8192 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)I 34a_100000047559_200025704644 [0,0,1,1,0,0|2,0,0]=4 8193 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)I 7a_100000047559_200025704644 [0,0,1,1,0,0|2,0,0]=4 8194 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)N 34a_100011215599_200025704644 [0,0,1,1,0,0|2,0,0]=4 8195 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)N 7a_100011215599_200025704644 [0,0,1,1,0,0|2,0,0]=4 8196 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Br 34a_100000755031_200025704644 [0,0,1,1,0,0|2,0,0]=4 8197 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Br 7a_100000755031_200025704644 [0,0,1,1,0,0|2,0,0]=4 8198 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Cl 34a_100000691581_200025704644 [0,0,1,1,0,0|2,0,0]=4 8199 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Cl 7a_100000691581_200025704644 [0,0,1,1,0,0|2,0,0]=4 8200 B10R1.176 [13CH3]Oc1ccc(c(c1)F)F 34a_100000181275_200025704644 [0,0,1,1,0,0|2,0,0]=4 8201 B10R1.176 [13CH3]Oc1ccc(c(c1)F)F 7a_100000181275_200025704644 [0,0,1,1,0,0|2,0,0]=4 8202 B10R1.176 [13CH3]Oc1ccc(c(c1)F)I 34a_100009990212_200025704644 [0,0,1,1,0,0|2,0,0]=4 8203 B10R1.176 [13CH3]Oc1ccc(c(c1)F)I 7a_100009990212_200025704644 [0,0,1,1,0,0|2,0,0]=4 8204 B10R1.176 [13CH3]Oc1ccc(c(c1)F)N 34a_100000759473_200025704644 [0,0,1,1,0,0|2,0,0]=4 8205 B10R1.176 [13CH3]Oc1ccc(c(c1)F)N 7a_100000759473_200025704644 [0,0,1,1,0,0|2,0,0]=4 8206 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Br 34a_100012339312_200025704644 [0,0,1,1,0,0|2,0,0]=4 8207 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Br 7a_100012339312_200025704644 [0,0,1,1,0,0|2,0,0]=4 8208 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Cl 34a_100000049588_200025704644 [0,0,1,1,0,0|2,0,0]=4 8209 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Cl 7a_100000049588_200025704644 [0,0,1,1,0,0|2,0,0]=4 8210 B10R1.176 [13CH3]Oc1ccc(c(c1)I)N 34a_100010084370_200025704644 [0,0,1,1,0,0|2,0,0]=4 8211 B10R1.176 [13CH3]Oc1ccc(c(c1)I)N 7a_100010084370_200025704644 [0,0,1,1,0,0|2,0,0]=4 8212 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Br 34a_100011999798_200025704644 [0,0,1,1,0,0|2,0,0]=4 8213 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Br 7a_100011999798_200025704644 [0,0,1,1,0,0|2,0,0]=4 8214 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Cl 34a_100011934297_200025704644 [0,0,1,1,0,0|2,0,0]=4 8215 B10R1.176 [13CH3]Oc1ccc(c(c1)N)F 34a_100012017239_200025704644 [0,0,1,1,0,0|2,0,0]=4 8216 B10R1.176 [13CH3]Oc1ccc(c(c1)N)F 7a_100012017239_200025704644 [0,0,1,1,0,0|2,0,0]=4 8217 B10R1.176 [13CH3]Oc1ccc(c(c1)N)N 34a_100025771000_200025704644 [0,0,1,1,0,0|2,0,0]=4 8218 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [0,0,1,1,0,0|0,0,2]=4 8219 B10R1.21 COCC=Cc1cccs1 271570a_100016286323_100011215356 [0,0,1,1,0,0|0,1,1]=4 8220 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [0,1,0,1,0,0|1,0,1]=4 8221 B12R2.24 Oc1ccc2c(c1)NCCO2 271570a_203496583355_100000708519 [0,1,0,1,0,0|2,0,0]=4 8222 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [0,1,0,1,0,0|1,0,1]=4 8223 B12R2.24 Oc1ccc2c(c1)OCCN2 271570a_203496583355_100012355470 [0,1,0,1,0,0|2,0,0]=4 8224 B12R2.24 Oc1ccc2c(c1)OCCO2 271570a_203496583355_100000184379 [0,1,0,1,0,0|2,0,0]=4 8225 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|1,0,1]=4 8226 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,1,0,1,0,0|2,0,0]=4 8227 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [0,1,0,1,0,0|2,0,0]=4 8228 B12R2.132 Cn1ncc2c1cc(cc2)O 271570a_203496583355_100009817177 [0,1,0,1,0,0|2,0,0]=4 8229 B12R2.132 Nc1noc2c1cc(cc2)O 271570a_203496583355_100012356444 [0,1,0,1,0,0|2,0,0]=4 8230 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|1,0,0]=3 8231 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,1,0,1,0,0|2,0,0]=4 8232 B12R2.132 O=C1CCc2c1nc(cc2)O 271570a_203496583355_100000701527 [0,1,0,1,0,0|2,0,0]=4 8233 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|0,0,0]=2 8234 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,1,0,1,0,0|2,0,0]=4 8235 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,1,0,1,0,0|2,0,0]=4 8236 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,1,0,1,0,0|2,0,0]=4 8237 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|1,0,0]=3 8238 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,1,0,0|1,0,1]=4 8239 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,1,0,1,0,0|2,0,0]=4 8240 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [0,1,0,1,0,0|2,0,0]=4 8241 B12R2.612 Cn1ncc2c1ccc(c2)O 271570a_203496583355_100009817176 [0,1,0,1,0,0|2,0,0]=4 8242 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,1,0,1,0,0|1,0,1]=4 8243 B12R2.612 Nc1noc2c1ccc(c2)O 271570a_203496583355_100012356334 [0,1,0,1,0,0|2,0,0]=4 8244 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,1,0,1,0,0|1,0,1]=4 8245 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|1,0,0]=3 8246 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|0,0,0]=2 8247 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,1,0,1,0,0|2,0,0]=4 8248 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,1,0,1,0,0|2,0,0]=4 8249 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,1,0,1,0,0|2,0,0]=4 8250 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [0,1,0,1,0,0|1,0,1]=4 8251 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [0,1,0,1,0,0|1,0,1]=4 8252 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,1,0,0|1,0,1]=4 8253 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,1,0,1,0,0|1,0,1]=4 8254 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,1,0,1,0,0|1,0,1]=4 8255 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,1,0,1,0,0|2,0,0]=4 8256 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,1,0,1,0,0|2,0,0]=4 8257 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,1,0,0|0,1,1]=4 8258 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [0,1,0,1,0,0|1,1,0]=4 8259 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [0,1,0,1,0,0|1,1,0]=4 8260 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,1,0,0|1,0,1]=4 8261 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,1,0,1,0,0|1,0,1]=4 8262 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,1,0,1,0,0|1,0,1]=4 8263 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,1,0,1,0,0|2,0,0]=4 8264 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,1,0,1,0,0|2,0,0]=4 8265 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,1,0,0|0,1,1]=4 8266 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [0,1,0,1,0,0|1,1,0]=4 8267 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [0,1,0,1,0,0|1,1,0]=4 8268 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,1,0,1,0,0|1,0,1]=4 8269 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,1,0,0|0,0,1]=3 8270 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,1,0,1,0,0|0,1,1]=4 8271 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,1,0,1,0,0|1,0,1]=4 8272 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,1,0,1,0,0|1,0,1]=4 8273 B12R2.315 C=Cc1cccc2c1CCC2 271570a_100011290941_100010343934 [0,1,0,1,0,0|2,0,0]=4 8274 B12R2.315 C=Cc1cccc2c1CCN2 271570a_100011290941_100009817896 [0,1,0,1,0,0|2,0,0]=4 8275 B12R2.315 C=Cc1cccc2c1CCO2 271570a_100011290941_100009819624 [0,1,0,1,0,0|2,0,0]=4 8276 B12R2.315 C=Cc1cccc2c1CNC2 271570a_100011290941_100000703859 [0,1,0,1,0,0|2,0,0]=4 8277 B12R2.315 C=Cc1cccc2c1COC2 271570a_100011290941_100010384907 [0,1,0,1,0,0|1,0,0]=3 8278 B12R2.315 C=Cc1cccc2c1NCC2 271570a_100011290941_100016995435 [0,1,0,1,0,0|2,0,0]=4 8279 B12R2.315 C=Cc1cccc2c1OCC2 271570a_100011290941_100009818991 [0,1,0,1,0,0|1,0,0]=3 8280 B12R2.315 C=Cc1cccc2c1OCO2 271570a_100011290941_100009814252 [0,1,0,1,0,0|1,0,0]=3 8281 B12R2.315 C=Cc1cccc2c1non2 271570a_100011290941_100009820244 [0,1,0,1,0,0|2,0,0]=4 8282 B12R2.315 C=Cc1cccc2c1occ2 271570a_100011290941_100011935138 [0,1,0,1,0,0|1,0,1]=4 8283 B12R2.315 C=Cc1cccc2c1ocn2 271570a_100011290941_100000728214 [0,1,0,1,0,0|1,0,1]=4 8284 B12R2.315 C=Cc1cccc2c1onc2 271570a_100011290941_100000765530 [0,1,0,1,0,0|1,0,1]=4 8285 B12R2.315 CNc1cccc2c1COC2 2230a_100000125316_200000210301 [0,1,0,1,0,0|2,0,0]=4 8286 B12R2.315 CNc1cccc2c1COC2 34a_100000125316_200000210301 [0,1,0,1,0,0|2,0,0]=4 8287 B12R2.315 CNc1cccc2c1OCC2 2230a_100000102157_200000210301 [0,1,0,1,0,0|2,0,0]=4 8288 B12R2.315 CNc1cccc2c1OCC2 34a_100000102157_200000210301 [0,1,0,1,0,0|2,0,0]=4 8289 B12R2.315 CNc1cccc2c1OCO2 2230a_100000699912_200000210301 [0,1,0,1,0,0|2,0,0]=4 8290 B12R2.315 CNc1cccc2c1OCO2 34a_100000699912_200000210301 [0,1,0,1,0,0|2,0,0]=4 8291 B12R2.315 CNc1cccc2c1ccs2 34a_100020628958_200000210301 [0,1,0,1,0,0|1,1,0]=4 8292 B12R2.315 CNc1cccc2c1nco2 34a_100000717946_200000210301 [0,1,0,1,0,0|1,0,1]=4 8293 B12R2.315 CNc1cccc2c1scn2 34a_100000099145_200000210301 [0,1,0,1,0,0|2,0,0]=4 8294 B12R2.315 COc1cccc2c1CCC2 34a_100000074356_200000210301 [0,1,0,1,0,0|1,0,1]=4 8295 B12R2.315 COc1cccc2c1CCC2 7a_100000074356_200000210301 [0,1,0,1,0,0|1,0,1]=4 8296 B12R2.315 COc1cccc2c1CCN2 34a_100000703684_200000210301 [0,1,0,1,0,0|1,0,1]=4 8297 B12R2.315 COc1cccc2c1CCO2 34a_100000090053_200000210301 [0,1,0,1,0,0|0,0,2]=4 8298 B12R2.315 COc1cccc2c1CCO2 7a_100000090053_200000210301 [0,1,0,1,0,0|0,0,2]=4 8299 B12R2.315 COc1cccc2c1CNC2 34a_100015191671_200000210301 [0,1,0,1,0,0|1,0,1]=4 8300 B12R2.315 COc1cccc2c1OCO2 34a_100000046630_200000210301 [0,1,0,1,0,0|0,0,2]=4 8301 B12R2.315 COc1cccc2c1OCO2 7a_100000046630_200000210301 [0,1,0,1,0,0|0,0,2]=4 8302 B12R2.315 COc1cccc2c1cc[nH]2 34a_100000763377_200000210301 [0,1,0,1,0,0|1,0,0]=3 8303 B12R2.315 COc1cccc2c1ccs2 34a_100000077759_200000210301 [0,1,0,1,0,0|0,1,0]=3 8304 B12R2.315 COc1cccc2c1ccs2 7a_100000077759_200000210301 [0,1,0,1,0,0|0,1,0]=3 8305 B12R2.315 COc1cccc2c1ncs2 34a_100000101385_200000210301 [0,1,0,1,0,0|0,1,0]=3 8306 B12R2.315 COc1cccc2c1ncs2 7a_100000101385_200000210301 [0,1,0,1,0,0|0,1,0]=3 8307 B12R2.315 COc1cccn2c1ncc2 34a_100000068405_200000210301 [0,1,0,1,0,0|2,0,0]=4 8308 B12R2.315 COc1cccn2c1ncc2 7a_100000068405_200000210301 [0,1,0,1,0,0|2,0,0]=4 8309 B12R2.315 COc1ccnc2c1scc2 34a_100000759877_200000210301 [0,1,0,1,0,0|2,0,0]=4 8310 B12R2.315 CSc1cccc2c1CC=C2 62a_100009844718_200000210301 [0,1,0,1,0,0|1,1,0]=4 8311 B12R2.315 CSc1cccc2c1CC=C2 62a_200000210301_100009844718 [0,1,0,1,0,0|1,1,0]=4 8312 B12R2.315 CSc1cccc2c1COC2 62a_100010384907_200000210301 [0,1,0,1,0,0|2,0,0]=4 8313 B12R2.315 CSc1cccc2c1COC2 62a_200000210301_100010384907 [0,1,0,1,0,0|2,0,0]=4 8314 B12R2.315 CSc1cccc2c1OCC2 62a_100009818991_200000210301 [0,1,0,1,0,0|2,0,0]=4 8315 B12R2.315 CSc1cccc2c1OCC2 62a_200000210301_100009818991 [0,1,0,1,0,0|2,0,0]=4 8316 B12R2.315 CSc1cccc2c1[nH]cc2 62a_200000210301_100009813418 [0,1,0,1,0,0|1,1,0]=4 8317 B12R2.315 CSc1cccc2c1cc[nH]2 62a_200000210301_100000685724 [0,1,0,1,0,0|1,1,0]=4 8318 B12R2.315 CSc1cccc2c1cco2 62a_200000210301_100000756496 [0,1,0,1,0,0|0,1,1]=4 8319 B12R2.315 CSc1cccc2c1ccs2 62a_200000210301_100009816950 [0,1,0,1,0,0|0,2,0]=4 8320 B12R2.315 CSc1cccc2c1cn[nH]2 62a_200000210301_100000753301 [0,1,0,1,0,0|1,1,0]=4 8321 B12R2.315 CSc1cccc2c1cno2 62a_200000210301_100009818589 [0,1,0,1,0,0|0,1,1]=4 8322 B12R2.315 CSc1cccc2c1nc[nH]2 62a_200000210301_100011935113 [0,1,0,1,0,0|1,1,0]=4 8323 B12R2.315 CSc1cccc2c1nco2 62a_200000210301_100009816834 [0,1,0,1,0,0|0,1,1]=4 8324 B12R2.315 CSc1cccc2c1ncs2 62a_200000210301_100000726125 [0,1,0,1,0,0|0,2,0]=4 8325 B12R2.315 CSc1cccc2c1occ2 62a_200000210301_100011935138 [0,1,0,1,0,0|1,1,0]=4 8326 B12R2.315 CSc1cccc2c1ocn2 62a_200000210301_100000728214 [0,1,0,1,0,0|1,1,0]=4 8327 B12R2.315 CSc1cccc2c1scc2 62a_200000210301_100000766737 [0,1,0,1,0,0|1,1,0]=4 8328 B12R2.315 CSc1cccc2c1scn2 62a_200000210301_100010246326 [0,1,0,1,0,0|1,1,0]=4 8329 B12R2.315 [13CH3]Nc1cccc2c1COC2 2230a_100000125316_200025704644 [0,1,0,1,0,0|2,0,0]=4 8330 B12R2.315 [13CH3]Nc1cccc2c1COC2 34a_100000125316_200025704644 [0,1,0,1,0,0|2,0,0]=4 8331 B12R2.315 [13CH3]Nc1cccc2c1OCC2 2230a_100000102157_200025704644 [0,1,0,1,0,0|2,0,0]=4 8332 B12R2.315 [13CH3]Nc1cccc2c1OCC2 34a_100000102157_200025704644 [0,1,0,1,0,0|2,0,0]=4 8333 B12R2.315 [13CH3]Nc1cccc2c1OCO2 2230a_100000699912_200025704644 [0,1,0,1,0,0|2,0,0]=4 8334 B12R2.315 [13CH3]Nc1cccc2c1OCO2 34a_100000699912_200025704644 [0,1,0,1,0,0|2,0,0]=4 8335 B12R2.315 [13CH3]Nc1cccc2c1ccs2 34a_100020628958_200025704644 [0,1,0,1,0,0|1,1,0]=4 8336 B12R2.315 [13CH3]Nc1cccc2c1nco2 34a_100000717946_200025704644 [0,1,0,1,0,0|1,0,1]=4 8337 B12R2.315 [13CH3]Nc1cccc2c1scn2 34a_100000099145_200025704644 [0,1,0,1,0,0|2,0,0]=4 8338 B12R2.315 [13CH3]Oc1cccc2c1CCC2 34a_100000074356_200025704644 [0,1,0,1,0,0|1,0,1]=4 8339 B12R2.315 [13CH3]Oc1cccc2c1CCC2 7a_100000074356_200025704644 [0,1,0,1,0,0|1,0,1]=4 8340 B12R2.315 [13CH3]Oc1cccc2c1CCN2 34a_100000703684_200025704644 [0,1,0,1,0,0|1,0,1]=4 8341 B12R2.315 [13CH3]Oc1cccc2c1CCO2 34a_100000090053_200025704644 [0,1,0,1,0,0|0,0,2]=4 8342 B12R2.315 [13CH3]Oc1cccc2c1CCO2 7a_100000090053_200025704644 [0,1,0,1,0,0|0,0,2]=4 8343 B12R2.315 [13CH3]Oc1cccc2c1CNC2 34a_100015191671_200025704644 [0,1,0,1,0,0|1,0,1]=4 8344 B12R2.315 [13CH3]Oc1cccc2c1OCO2 34a_100000046630_200025704644 [0,1,0,1,0,0|0,0,2]=4 8345 B12R2.315 [13CH3]Oc1cccc2c1OCO2 7a_100000046630_200025704644 [0,1,0,1,0,0|0,0,2]=4 8346 B12R2.315 [13CH3]Oc1cccc2c1cc[nH]2 34a_100000763377_200025704644 [0,1,0,1,0,0|1,0,0]=3 8347 B12R2.315 [13CH3]Oc1cccc2c1ccs2 34a_100000077759_200025704644 [0,1,0,1,0,0|0,1,0]=3 8348 B12R2.315 [13CH3]Oc1cccc2c1ccs2 7a_100000077759_200025704644 [0,1,0,1,0,0|0,1,0]=3 8349 B12R2.315 [13CH3]Oc1cccc2c1ncs2 34a_100000101385_200025704644 [0,1,0,1,0,0|0,1,0]=3 8350 B12R2.315 [13CH3]Oc1cccc2c1ncs2 7a_100000101385_200025704644 [0,1,0,1,0,0|0,1,0]=3 8351 B12R2.315 [13CH3]Oc1cccn2c1ncc2 34a_100000068405_200025704644 [0,1,0,1,0,0|2,0,0]=4 8352 B12R2.315 [13CH3]Oc1cccn2c1ncc2 7a_100000068405_200025704644 [0,1,0,1,0,0|2,0,0]=4 8353 B12R2.315 [13CH3]Oc1ccnc2c1scc2 34a_100000759877_200025704644 [0,1,0,1,0,0|2,0,0]=4 8354 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_100009844718_200025704644 [0,1,0,1,0,0|1,1,0]=4 8355 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_200025704644_100009844718 [0,1,0,1,0,0|1,1,0]=4 8356 B12R2.315 [13CH3]Sc1cccc2c1COC2 62a_100010384907_200025704644 [0,1,0,1,0,0|2,0,0]=4 8357 B12R2.315 [13CH3]Sc1cccc2c1COC2 62a_200025704644_100010384907 [0,1,0,1,0,0|2,0,0]=4 8358 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_100009818991_200025704644 [0,1,0,1,0,0|2,0,0]=4 8359 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_200025704644_100009818991 [0,1,0,1,0,0|2,0,0]=4 8360 B12R2.315 [13CH3]Sc1cccc2c1[nH]cc2 62a_200025704644_100009813418 [0,1,0,1,0,0|1,1,0]=4 8361 B12R2.315 [13CH3]Sc1cccc2c1cc[nH]2 62a_200025704644_100000685724 [0,1,0,1,0,0|1,1,0]=4 8362 B12R2.315 [13CH3]Sc1cccc2c1cco2 62a_200025704644_100000756496 [0,1,0,1,0,0|0,1,1]=4 8363 B12R2.315 [13CH3]Sc1cccc2c1ccs2 62a_200025704644_100009816950 [0,1,0,1,0,0|0,2,0]=4 8364 B12R2.315 [13CH3]Sc1cccc2c1cn[nH]2 62a_200025704644_100000753301 [0,1,0,1,0,0|1,1,0]=4 8365 B12R2.315 [13CH3]Sc1cccc2c1cno2 62a_200025704644_100009818589 [0,1,0,1,0,0|0,1,1]=4 8366 B12R2.315 [13CH3]Sc1cccc2c1nc[nH]2 62a_200025704644_100011935113 [0,1,0,1,0,0|1,1,0]=4 8367 B12R2.315 [13CH3]Sc1cccc2c1nco2 62a_200025704644_100009816834 [0,1,0,1,0,0|0,1,1]=4 8368 B12R2.315 [13CH3]Sc1cccc2c1ncs2 62a_200025704644_100000726125 [0,1,0,1,0,0|0,2,0]=4 8369 B12R2.315 [13CH3]Sc1cccc2c1occ2 62a_200025704644_100011935138 [0,1,0,1,0,0|1,1,0]=4 8370 B12R2.315 [13CH3]Sc1cccc2c1ocn2 62a_200025704644_100000728214 [0,1,0,1,0,0|1,1,0]=4 8371 B12R2.315 [13CH3]Sc1cccc2c1scc2 62a_200025704644_100000766737 [0,1,0,1,0,0|1,1,0]=4 8372 B12R2.315 [13CH3]Sc1cccc2c1scn2 62a_200025704644_100010246326 [0,1,0,1,0,0|1,1,0]=4 8373 B12R2.1081 Oc1cccc2c1CCCO2 271570a_203496583355_100010188023 [0,1,0,1,0,0|1,0,1]=4 8374 B12R2.1081 Oc1cccc2c1CCN=C2 271570a_203496583355_100010982778 [0,1,0,1,0,0|2,0,0]=4 8375 B12R2.1081 Oc1cccc2c1NCCO2 271570a_203496583355_100015018771 [0,1,0,1,0,0|2,0,0]=4 8376 B12R2.1081 Oc1cccc2c1OCCC2 271570a_203496583355_100010204675 [0,1,0,1,0,0|1,0,1]=4 8377 B12R2.1081 Oc1cccc2c1OCCN2 271570a_203496583355_100000726803 [0,1,0,1,0,0|2,0,0]=4 8378 B12R2.1081 Oc1cccc2c1OCCO2 271570a_203496583355_100009815980 [0,1,0,1,0,0|2,0,0]=4 8379 B12R2.2048 C=Cc1ccccc1C2CC2 271570a_100011290941_100009819954 [0,1,0,1,0,0|2,0,0]=4 8380 B12R2.2048 COc1ccccc1C2CC2 271570a_100011220607_100000174000 [0,1,0,1,0,0|1,0,1]=4 8381 B12R2.2048 O=Cc1ccccc1C2CC2 271570a_100011220607_100000211189 [0,1,0,1,0,0|1,0,0]=3 8382 B12R2.2048 O=Cc1cccnc1C2CC2 271570a_100011220607_100009816751 [0,1,0,1,0,0|2,0,0]=4 8383 B12R2.2048 O=Cc1ccncc1C2CC2 271570a_100011220607_100011934409 [0,1,0,1,0,0|2,0,0]=4 8384 B12R2.2048 O=Cc1cnccc1C2CC2 271570a_100011220607_100000050567 [0,1,0,1,0,0|2,0,0]=4 8385 B12R2.2048 O=Cc1ncccc1C2CC2 271570a_100011220607_100011934733 [0,1,0,1,0,0|2,0,0]=4 8386 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [0,1,0,1,0,0|1,0,1]=4 8387 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [0,1,0,1,0,0|2,0,0]=4 8388 B12R2.196 Cn1ncc2c1cccc2O 271570a_203496583355_100009817161 [0,1,0,1,0,0|2,0,0]=4 8389 B12R2.196 NC1COc2c1cccc2O 271570a_203496583355_100025715106 [0,1,0,1,0,0|1,0,1]=4 8390 B12R2.196 Nc1noc2c1cccc2O 271570a_203496583355_100010069758 [0,1,0,1,0,0|2,0,0]=4 8391 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|1,0,0]=3 8392 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|0,0,0]=2 8393 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,1,0,1,0,0|2,0,0]=4 8394 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,1,0,1,0,0|2,0,0]=4 8395 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,1,0,1,0,0|2,0,0]=4 8396 B12R2.203 Cn1ccc2c1c(ccc2)O 271570a_203496583355_100009817156 [0,1,0,1,0,0|2,0,0]=4 8397 B12R2.203 Cn1ncc2c1c(ccc2)O 271570a_203496583355_100009817178 [0,1,0,1,0,0|2,0,0]=4 8398 B12R2.203 Nc1noc2c1c(ccc2)O 271570a_203496583355_100012361266 [0,1,0,1,0,0|2,0,0]=4 8399 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|1,0,0]=3 8400 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,1,0,1,0,0|0,0,0]=2 8401 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [0,1,0,1,0,0|2,0,0]=4 8402 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [0,1,0,1,0,0|2,0,0]=4 8403 B12R2.203 O=c1[nH][nH]c2c1c(ccc2)O 271570a_203496583355_100010170957 [0,1,0,1,0,0|2,0,0]=4 8404 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [1,0,0,0,1,0|2,0,0]=4 8405 B8R1.11 C=Cc1cscc1C 271570a_100011290941_100000759966 [1,0,0,0,1,0|2,0,0]=4 8406 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [1,0,0,0,1,0|2,0,0]=4 8407 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [1,0,0,0,1,0|1,0,0]=3 8408 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [1,0,0,0,1,0|1,0,0]=3 8409 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,0,0,0,1,0|1,0,0]=3 8410 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [1,0,0,0,1,0|1,0,0]=3