0 B11R1.41 C#Cc1ccccc1CNC 34a_100020634229_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.41 C#Cc1ccccc1CN[13CH3] 34a_100020634229_200025704644 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.41 C#Cc1ccccc1COC 34a_100000054652_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.41 C#Cc1ccccc1COC 7a_100000054652_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.41 C#Cc1ccccc1CO[13CH3] 34a_100000054652_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.41 C#Cc1ccccc1CO[13CH3] 7a_100000054652_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.41 C#Cc1ccccc1NCC 34a_100011470550_100000210202 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.41 C#Cc1ccccc1NCF 34a_100011470550_100015361967 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.41 C#Cc1ccccc1OCC 34a_200011470546_100000210202 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.41 C#Cc1ccccc1OCC 7a_200011470546_100000210202 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.41 C#Cc1ccccc1OCF 34a_200011470546_100015361967 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.41 C#Cc1ccccc1OCF 7a_200011470546_100015361967 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [0,0,0,0,0,0|1,0,2]=3 15 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [0,0,0,0,0,0|1,0,2]=3 16 B11R1.41 C=C=Cc1ccccc1CC 271570a_100015277604_100011215823 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.41 C=C=Cc1ccccc1NC 271570a_100015277604_100020606079 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.41 C=C=Cc1ccccc1OC 271570a_100015277604_100000174000 [0,0,0,0,0,0|1,0,2]=3 19 B11R1.41 C=C=Cc1ccccc1SC 271570a_100015277604_100011217816 [0,0,0,0,0,0|1,1,2]=4 20 B11R1.41 C=C=Cc1cccnc1OC 271570a_100015277604_100000047025 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.41 C=C=Cc1ccncc1OC 271570a_100015277604_100016988167 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.41 C=C=Cc1cnccc1OC 271570a_100015277604_100011997281 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.41 C=C=Cc1ncccc1OC 271570a_100015277604_100000690851 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.41 C=CCc1ccccc1NC 2230a_200138433279_200000210301 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.41 C=CCc1ccccc1NC 34a_200138433279_200000210301 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.41 C=CCc1ccccc1N[13CH3] 2230a_200138433279_200025704644 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.41 C=CCc1ccccc1N[13CH3] 34a_200138433279_200025704644 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.41 C=CCc1ccccc1OC 34a_100000211836_200000210301 [0,0,0,0,0,0|1,0,1]=2 30 B11R1.41 C=CCc1ccccc1OC 7a_100000211836_200000210301 [0,0,0,0,0,0|1,0,1]=2 31 B11R1.41 C=CCc1ccccc1O[13CH3] 34a_100000211836_200025704644 [0,0,0,0,0,0|1,0,1]=2 32 B11R1.41 C=CCc1ccccc1O[13CH3] 7a_100000211836_200025704644 [0,0,0,0,0,0|1,0,1]=2 33 B11R1.41 C=CCc1ccccc1SC 62a_100009828059_200000210301 [0,0,0,0,0,0|1,1,1]=3 34 B11R1.41 C=CCc1ccccc1SC 62a_200000210301_100009828059 [0,0,0,0,0,0|1,1,1]=3 35 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_100009828059_200025704644 [0,0,0,0,0,0|1,1,1]=3 36 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_200025704644_100009828059 [0,0,0,0,0,0|1,1,1]=3 37 B11R1.41 C=Cc1ccccc1CC#N 271570a_100011290941_100000033512 [0,0,0,0,0,0|1,0,3]=4 38 B11R1.41 C=Cc1ccccc1CCN 271570a_100011290941_100000747383 [0,0,0,0,0,0|1,0,1]=2 39 B11R1.41 C=Cc1ccccc1CCO 271570a_100011290941_100000731337 [0,0,0,0,0,0|2,0,1]=3 40 B11R1.41 C=Cc1ccccc1CNC 271570a_100011290941_100000184654 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.41 C=Cc1ccccc1CNN 271570a_100011290941_200016993956 [0,0,0,0,0,0|2,0,1]=3 42 B11R1.41 C=Cc1ccccc1COC 271570a_100011290941_100011493684 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.41 C=Cc1ccccc1COC 34a_200010883148_200000210301 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.41 C=Cc1ccccc1COC 7a_200010883148_200000210301 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.41 C=Cc1ccccc1CO[13CH3] 34a_200010883148_200025704644 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.41 C=Cc1ccccc1CO[13CH3] 7a_200010883148_200025704644 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.41 C=Cc1ccccc1CSC 271570a_100011290941_100000148299 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.41 C=Cc1ccccc1NCF 34a_100012022501_100015361967 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.41 C=Cc1ccccc1SCC 271570a_100011290941_100000230856 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.41 C=Cc1ccccc1SCC 62a_100000210202_100011218376 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.41 C=Cc1ccccc1SCC 62a_100011218376_100000210202 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.41 C=Cc1ccccc1SCF 62a_100011218376_100015361967 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.41 C=Cc1ccccc1SCF 62a_100015361967_100011218376 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [0,0,0,0,0,0|2,0,2]=4 58 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [0,0,0,0,0,0|2,0,2]=4 59 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [0,0,0,0,0,0|1,0,2]=3 60 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [0,0,0,0,0,0|1,1,2]=4 61 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [0,0,0,0,0,0|2,0,2]=4 62 B11R1.41 CC=Cc1ccncc1OC 271570a_100016259895_100016988167 [0,0,0,0,0,0|2,0,2]=4 63 B11R1.41 CC=Cc1cnccc1OC 271570a_100016259895_100011997281 [0,0,0,0,0,0|2,0,2]=4 64 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [0,0,0,0,0,0|2,0,2]=4 65 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [0,0,0,0,0,0|2,0,0]=2 66 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [0,0,0,0,0,0|2,0,0]=2 67 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [0,0,0,0,0,0|2,0,0]=2 68 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [0,0,0,0,0,0|2,0,0]=2 69 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [0,0,0,0,0,0|2,0,0]=2 70 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [0,0,0,0,0,0|2,0,0]=2 71 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [0,0,0,0,0,0|1,0,0]=1 72 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [0,0,0,0,0,0|1,0,0]=1 73 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [0,0,0,0,0,0|1,0,0]=1 74 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [0,0,0,0,0,0|1,0,0]=1 75 B11R1.41 CCCc1ncncc1NC 27a_100102657272_100009816987 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.41 CCCc1ncncc1SC 62a_100009816987_200000210301 [0,0,0,0,0,0|3,1,0]=4 77 B11R1.41 CCCc1ncncc1SC 62a_200000210301_100009816987 [0,0,0,0,0,0|3,1,0]=4 78 B11R1.41 CCCc1ncncc1S[13CH3] 62a_100009816987_200025704644 [0,0,0,0,0,0|3,1,0]=4 79 B11R1.41 CCCc1ncncc1S[13CH3] 62a_200025704644_100009816987 [0,0,0,0,0,0|3,1,0]=4 80 B11R1.41 CCNc1ccccc1C#N 34a_100000211148_100000210202 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.41 CCNc1ccccc1CC 2230a_100000212081_100000210202 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.41 CCNc1ccccc1CC 34a_100000212081_100000210202 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.41 CCNc1ccccc1CC 7a_100000212081_100000210202 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.41 CCNc1ccccc1CO 34a_100000212039_100000210202 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [0,0,0,0,0,0|2,0,0]=2 86 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [0,0,0,0,0,0|2,0,0]=2 87 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [0,0,0,0,0,0|2,0,0]=2 88 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [0,0,0,0,0,0|2,0,0]=2 89 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [0,0,0,0,0,0|2,0,0]=2 90 B11R1.41 CCNc1ccccc1SC 34a_100000211160_100000210202 [0,0,0,0,0,0|2,1,0]=3 91 B11R1.41 CCNc1ccccc1SC 62a_114873767003_200000210301 [0,0,0,0,0,0|2,1,0]=3 92 B11R1.41 CCNc1ccccc1SC 62a_200000210301_114873767003 [0,0,0,0,0,0|2,1,0]=3 93 B11R1.41 CCNc1ccccc1S[13CH3] 62a_114873767003_200025704644 [0,0,0,0,0,0|2,1,0]=3 94 B11R1.41 CCNc1ccccc1S[13CH3] 62a_200025704644_114873767003 [0,0,0,0,0,0|2,1,0]=3 95 B11R1.41 CCNc1nccnc1OC 27a_100015525214_100009858322 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.41 CCNc1ncncc1OC 27a_100015525214_100012001275 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.41 CCOc1ccccc1C#N 34a_100000211048_100000210202 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.41 CCOc1ccccc1C#N 7a_100000211048_100000210202 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [0,0,0,0,0,0|3,0,0]=3 100 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.41 CCOc1ccccc1CN 34a_100000185550_100000210202 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.41 CCOc1ccccc1NC 34a_100000033821_100000210202 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.41 CCOc1ccccc1NC 34a_100000211218_200000210301 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.41 CCOc1ccccc1N[13CH3] 34a_100000211218_200025704644 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [0,0,0,0,0,0|2,0,0]=2 107 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [0,0,0,0,0,0|2,0,0]=2 108 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [0,0,0,0,0,0|2,0,0]=2 109 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [0,0,0,0,0,0|2,0,0]=2 110 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [0,0,0,0,0,0|2,0,0]=2 111 B11R1.41 CCOc1ccccc1SC 34a_100011216402_100000210202 [0,0,0,0,0,0|2,1,0]=3 112 B11R1.41 CCOc1ccccc1SC 62a_100000230754_200000210301 [0,0,0,0,0,0|2,1,0]=3 113 B11R1.41 CCOc1ccccc1SC 62a_200000210301_100000230754 [0,0,0,0,0,0|2,1,0]=3 114 B11R1.41 CCOc1ccccc1S[13CH3] 62a_100000230754_200025704644 [0,0,0,0,0,0|2,1,0]=3 115 B11R1.41 CCOc1ccccc1S[13CH3] 62a_200025704644_100000230754 [0,0,0,0,0,0|2,1,0]=3 116 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [0,0,0,0,0,0|3,0,0]=3 117 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [0,0,0,0,0,0|3,1,0]=4 119 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [0,0,0,0,0,0|3,1,0]=4 120 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [0,0,0,0,0,0|3,1,0]=4 121 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [0,0,0,0,0,0|3,1,0]=4 122 B11R1.41 CCOc1cnccc1OC 34a_100000101186_100000210202 [0,0,0,0,0,0|3,0,0]=3 123 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [0,0,0,0,0,0|3,0,0]=3 124 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [0,0,0,0,0,0|3,0,0]=3 125 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [0,0,0,0,0,0|3,0,0]=3 126 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [0,0,0,0,0,0|3,1,0]=4 127 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [0,0,0,0,0,0|3,1,0]=4 128 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [0,0,0,0,0,0|3,1,0]=4 129 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [0,0,0,0,0,0|3,1,0]=4 130 B11R1.41 CCSc1ccccc1C#N 62a_100000210202_100000188569 [0,0,0,0,0,0|4,0,0]=4 131 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [0,0,0,0,0,0|4,0,0]=4 132 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [0,0,0,0,0,0|4,0,0]=4 133 B11R1.41 CCSc1ccccc1CC 62a_100000210202_100011215823 [0,0,0,0,0,0|3,0,0]=3 134 B11R1.41 CCSc1ccccc1CC 62a_100011215823_100000210202 [0,0,0,0,0,0|3,0,0]=3 135 B11R1.41 CCSc1ccccc1CN 62a_100000210202_100000689332 [0,0,0,0,0,0|4,0,0]=4 136 B11R1.41 CCSc1ccccc1CN 62a_100000689332_100000210202 [0,0,0,0,0,0|4,0,0]=4 137 B11R1.41 CCSc1ccccc1CO 62a_100000187465_100000210202 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.41 CCSc1ccccc1CO 62a_100000210202_100000187465 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.41 CCSc1ccccc1NC 34a_100011223125_200000210301 [0,0,0,0,0,0|3,0,0]=3 140 B11R1.41 CCSc1ccccc1NC 62a_100000210202_100020606079 [0,0,0,0,0,0|3,0,0]=3 141 B11R1.41 CCSc1ccccc1NC 62a_100020606079_100000210202 [0,0,0,0,0,0|3,0,0]=3 142 B11R1.41 CCSc1ccccc1NN 62a_100000210202_100000241748 [0,0,0,0,0,0|4,0,0]=4 143 B11R1.41 CCSc1ccccc1NN 62a_100000241748_100000210202 [0,0,0,0,0,0|4,0,0]=4 144 B11R1.41 CCSc1ccccc1N[13CH3] 34a_100011223125_200025704644 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [0,0,0,0,0,0|2,0,0]=2 146 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [0,0,0,0,0,0|2,0,0]=2 147 B11R1.41 CCSc1ccccc1SC 62a_100000210202_100011217816 [0,0,0,0,0,0|2,1,0]=3 148 B11R1.41 CCSc1ccccc1SC 62a_100000230856_200000210301 [0,0,0,0,0,0|2,1,0]=3 149 B11R1.41 CCSc1ccccc1SC 62a_100011217816_100000210202 [0,0,0,0,0,0|2,1,0]=3 150 B11R1.41 CCSc1ccccc1SC 62a_200000210301_100000230856 [0,0,0,0,0,0|2,1,0]=3 151 B11R1.41 CCSc1ccccc1S[13CH3] 62a_100000230856_200025704644 [0,0,0,0,0,0|2,1,0]=3 152 B11R1.41 CCSc1ccccc1S[13CH3] 62a_200025704644_100000230856 [0,0,0,0,0,0|2,1,0]=3 153 B11R1.41 CCSc1cccnc1CC 62a_100000210202_100009877225 [0,0,0,0,0,0|4,0,0]=4 154 B11R1.41 CCSc1cccnc1CC 62a_100009877225_100000210202 [0,0,0,0,0,0|4,0,0]=4 155 B11R1.41 CCSc1cccnc1NC 62a_100000210202_100000700899 [0,0,0,0,0,0|4,0,0]=4 156 B11R1.41 CCSc1cccnc1NC 62a_100000700899_100000210202 [0,0,0,0,0,0|4,0,0]=4 157 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [0,0,0,0,0,0|3,0,0]=3 158 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [0,0,0,0,0,0|3,0,0]=3 159 B11R1.41 CCSc1cccnc1SC 62a_100000210202_100011465278 [0,0,0,0,0,0|3,1,0]=4 160 B11R1.41 CCSc1cccnc1SC 62a_100011465278_100000210202 [0,0,0,0,0,0|3,1,0]=4 161 B11R1.41 CCSc1ccncc1CC 62a_100000210202_100025704421 [0,0,0,0,0,0|4,0,0]=4 162 B11R1.41 CCSc1ccncc1CC 62a_100025704421_100000210202 [0,0,0,0,0,0|4,0,0]=4 163 B11R1.41 CCSc1ccncc1OC 62a_100000210202_100016988167 [0,0,0,0,0,0|3,0,0]=3 164 B11R1.41 CCSc1ccncc1OC 62a_100016988167_100000210202 [0,0,0,0,0,0|3,0,0]=3 165 B11R1.41 CCSc1cnccc1CC 62a_100000210202_100009819861 [0,0,0,0,0,0|4,0,0]=4 166 B11R1.41 CCSc1cnccc1CC 62a_100009819861_100000210202 [0,0,0,0,0,0|4,0,0]=4 167 B11R1.41 CCSc1cnccc1NC 62a_100000210202_100010069531 [0,0,0,0,0,0|4,0,0]=4 168 B11R1.41 CCSc1cnccc1NC 62a_100010069531_100000210202 [0,0,0,0,0,0|4,0,0]=4 169 B11R1.41 CCSc1cnccc1OC 62a_100000210202_100011997281 [0,0,0,0,0,0|3,0,0]=3 170 B11R1.41 CCSc1cnccc1OC 62a_100011997281_100000210202 [0,0,0,0,0,0|3,0,0]=3 171 B11R1.41 CCSc1cncnc1OC 62a_100000210202_100000719902 [0,0,0,0,0,0|4,0,0]=4 172 B11R1.41 CCSc1cncnc1OC 62a_100000719902_100000210202 [0,0,0,0,0,0|4,0,0]=4 173 B11R1.41 CCSc1ncccc1NC 62a_100000210202_200011806188 [0,0,0,0,0,0|4,0,0]=4 174 B11R1.41 CCSc1ncccc1OC 62a_100000210202_100000690851 [0,0,0,0,0,0|3,0,0]=3 175 B11R1.41 CCSc1ncccc1OC 62a_100000767102_100000210202 [0,0,0,0,0,0|3,0,0]=3 176 B11R1.41 CCSc1nccnc1OC 62a_100000210202_100000749998 [0,0,0,0,0,0|4,0,0]=4 177 B11R1.41 CCSc1nccnc1OC 62a_100009858322_100000210202 [0,0,0,0,0,0|4,0,0]=4 178 B11R1.41 CCSc1ncncc1OC 62a_100000210202_100012001275 [0,0,0,0,0,0|4,0,0]=4 179 B11R1.41 CCSc1ncncc1OC 62a_100012001275_100000210202 [0,0,0,0,0,0|4,0,0]=4 180 B11R1.41 CCc1ccccc1CNC 207a_100102657272_100011219594 [0,0,0,0,0,0|3,0,0]=3 181 B11R1.41 CCc1ccccc1CNC 270004a_106832991635_100011219594 [0,0,0,0,0,0|3,0,0]=3 182 B11R1.41 CCc1ccccc1COC 34a_100011663872_200000210301 [0,0,0,0,0,0|3,0,0]=3 183 B11R1.41 CCc1ccccc1COC 7a_100011663872_200000210301 [0,0,0,0,0,0|3,0,0]=3 184 B11R1.41 CCc1ccccc1CO[13CH3] 34a_100011663872_200025704644 [0,0,0,0,0,0|3,0,0]=3 185 B11R1.41 CCc1ccccc1CO[13CH3] 7a_100011663872_200025704644 [0,0,0,0,0,0|3,0,0]=3 186 B11R1.41 CCc1ccccc1NCF 34a_100000212081_100015361967 [0,0,0,0,0,0|3,0,0]=3 187 B11R1.41 CCc1ccccc1NCF 7a_100000212081_100015361967 [0,0,0,0,0,0|3,0,0]=3 188 B11R1.41 CCc1ccccc1OCF 34a_100000210936_100015361967 [0,0,0,0,0,0|3,0,0]=3 189 B11R1.41 CCc1ccccc1OCF 7a_100000210936_100015361967 [0,0,0,0,0,0|3,0,0]=3 190 B11R1.41 CCc1ccccc1SCF 62a_100011215823_100015361967 [0,0,0,0,0,0|3,0,0]=3 191 B11R1.41 CCc1ccccc1SCF 62a_100015361967_100011215823 [0,0,0,0,0,0|3,0,0]=3 192 B11R1.41 CCc1ccncc1SCF 62a_100009819861_100015361967 [0,0,0,0,0,0|4,0,0]=4 193 B11R1.41 CCc1ccncc1SCF 62a_100015361967_100009819861 [0,0,0,0,0,0|4,0,0]=4 194 B11R1.41 CCc1cnccc1SCF 62a_100015361967_100025704421 [0,0,0,0,0,0|4,0,0]=4 195 B11R1.41 CCc1cnccc1SCF 62a_100025704421_100015361967 [0,0,0,0,0,0|4,0,0]=4 196 B11R1.41 CCc1ncccc1SCF 62a_100009877225_100015361967 [0,0,0,0,0,0|4,0,0]=4 197 B11R1.41 CCc1ncccc1SCF 62a_100015361967_100009877225 [0,0,0,0,0,0|4,0,0]=4 198 B11R1.41 CNCc1ccccc1C#N 2230a_106832991635_100000181865 [0,0,0,0,0,0|4,0,0]=4 199 B11R1.41 CNCc1ccccc1C#N 34a_100016989011_200000210301 [0,0,0,0,0,0|4,0,0]=4 200 B11R1.41 CNCc1ccccc1C#N 34a_100102657272_100000181865 [0,0,0,0,0,0|4,0,0]=4 201 B11R1.41 CNCc1ccccc1C#N 7a_106832991635_100000181865 [0,0,0,0,0,0|4,0,0]=4 202 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [0,0,0,0,0,0|4,0,0]=4 203 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [0,0,0,0,0,0|4,0,0]=4 204 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [0,0,0,0,0,0|4,0,0]=4 205 B11R1.41 CNCc1ccccc1CO 2230a_106832991635_100009816955 [0,0,0,0,0,0|4,0,0]=4 206 B11R1.41 CNCc1ccccc1CO 34a_100102657272_100009816955 [0,0,0,0,0,0|4,0,0]=4 207 B11R1.41 CNCc1ccccc1CO 7a_106832991635_100009816955 [0,0,0,0,0,0|4,0,0]=4 208 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [0,0,0,0,0,0|2,0,0]=2 209 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [0,0,0,0,0,0|2,0,0]=2 210 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [0,0,0,0,0,0|2,0,0]=2 211 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [0,0,0,0,0,0|2,0,0]=2 212 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [0,0,0,0,0,0|2,0,0]=2 213 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [0,0,0,0,0,0|2,0,0]=2 214 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [0,0,0,0,0,0|2,0,0]=2 215 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [0,0,0,0,0,0|2,0,0]=2 216 B11R1.41 CNCc1ccccc1SC 207a_100102657272_100011217347 [0,0,0,0,0,0|2,1,0]=3 217 B11R1.41 CNCc1ccccc1SC 2230a_106832991635_100000699184 [0,0,0,0,0,0|2,1,0]=3 218 B11R1.41 CNCc1ccccc1SC 270004a_106832991635_100011217347 [0,0,0,0,0,0|2,1,0]=3 219 B11R1.41 CNCc1ccccc1SC 34a_100102657272_100000699184 [0,0,0,0,0,0|2,1,0]=3 220 B11R1.41 CNCc1ccccc1SC 34a_102495365025_200000210301 [0,0,0,0,0,0|2,1,0]=3 221 B11R1.41 CNCc1ccccc1SC 62a_100000184654_200000210301 [0,0,0,0,0,0|2,1,0]=3 222 B11R1.41 CNCc1ccccc1SC 62a_200000210301_100000184654 [0,0,0,0,0,0|2,1,0]=3 223 B11R1.41 CNCc1ccccc1SC 7a_106832991635_100000699184 [0,0,0,0,0,0|2,1,0]=3 224 B11R1.41 CNCc1ccccc1S[13CH3] 62a_100000184654_200025704644 [0,0,0,0,0,0|2,1,0]=3 225 B11R1.41 CNCc1ccccc1S[13CH3] 62a_200025704644_100000184654 [0,0,0,0,0,0|2,1,0]=3 226 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [0,0,0,0,0,0|3,0,0]=3 227 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [0,0,0,0,0,0|3,0,0]=3 228 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [0,0,0,0,0,0|3,0,0]=3 229 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [0,0,0,0,0,0|3,0,0]=3 230 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [0,0,0,0,0,0|3,0,0]=3 231 B11R1.41 CNCc1cccnc1SC 62a_103496529121_200000210301 [0,0,0,0,0,0|3,1,0]=4 232 B11R1.41 CNCc1cccnc1SC 62a_200000210301_103496529121 [0,0,0,0,0,0|3,1,0]=4 233 B11R1.41 CNCc1cccnc1S[13CH3] 62a_103496529121_200025704644 [0,0,0,0,0,0|3,1,0]=4 234 B11R1.41 CNCc1cccnc1S[13CH3] 62a_200025704644_103496529121 [0,0,0,0,0,0|3,1,0]=4 235 B11R1.41 CNCc1ccncc1OC 207a_100102657272_100011361505 [0,0,0,0,0,0|3,0,0]=3 236 B11R1.41 CNCc1ccncc1OC 2230a_106832991635_100020635607 [0,0,0,0,0,0|3,0,0]=3 237 B11R1.41 CNCc1ccncc1OC 270004a_106832991635_100011361505 [0,0,0,0,0,0|3,0,0]=3 238 B11R1.41 CNCc1ccncc1OC 7a_106832991635_100020635607 [0,0,0,0,0,0|3,0,0]=3 239 B11R1.41 CNCc1cnccc1OC 207a_100102657272_200011997045 [0,0,0,0,0,0|3,0,0]=3 240 B11R1.41 CNCc1cnccc1OC 270004a_106832991635_200011997045 [0,0,0,0,0,0|3,0,0]=3 241 B11R1.41 CNCc1ncccc1OC 207a_100102657272_100011912573 [0,0,0,0,0,0|3,0,0]=3 242 B11R1.41 CNCc1ncccc1OC 270004a_106832991635_100011912573 [0,0,0,0,0,0|3,0,0]=3 243 B11R1.41 CNc1ccccc1CCO 2230a_100011215289_200000210301 [0,0,0,0,0,0|2,0,0]=2 244 B11R1.41 CNc1ccccc1CCO 34a_100011215289_200000210301 [0,0,0,0,0,0|2,0,0]=2 245 B11R1.41 CNc1ccccc1OCF 34a_100000033821_100015361967 [0,0,0,0,0,0|3,0,0]=3 246 B11R1.41 CNc1ccccc1SCF 62a_100015361967_100020606079 [0,0,0,0,0,0|3,0,0]=3 247 B11R1.41 CNc1ccccc1SCF 62a_100020606079_100015361967 [0,0,0,0,0,0|3,0,0]=3 248 B11R1.41 CNc1cccnc1SCF 62a_100015361967_200011806188 [0,0,0,0,0,0|4,0,0]=4 249 B11R1.41 CNc1ccncc1SCF 62a_100010069531_100015361967 [0,0,0,0,0,0|4,0,0]=4 250 B11R1.41 CNc1ccncc1SCF 62a_100015361967_100010069531 [0,0,0,0,0,0|4,0,0]=4 251 B11R1.41 CNc1ncccc1SCF 62a_100000700899_100015361967 [0,0,0,0,0,0|4,0,0]=4 252 B11R1.41 CNc1ncccc1SCF 62a_100015361967_100000700899 [0,0,0,0,0,0|4,0,0]=4 253 B11R1.41 COCc1ccccc1C#N 34a_100138415774_100000181865 [0,0,0,0,0,0|4,0,0]=4 254 B11R1.41 COCc1ccccc1C#N 34a_200011269968_200000210301 [0,0,0,0,0,0|4,0,0]=4 255 B11R1.41 COCc1ccccc1C#N 7a_200011269968_200000210301 [0,0,0,0,0,0|4,0,0]=4 256 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [0,0,0,0,0,0|4,0,0]=4 257 B11R1.41 COCc1ccccc1CBr 34a_100009816955_200000210301 [0,0,0,0,0,0|4,0,0]=4 258 B11R1.41 COCc1ccccc1CBr 7a_100009816955_200000210301 [0,0,0,0,0,0|4,0,0]=4 259 B11R1.41 COCc1ccccc1CN 34a_100000743596_200000210301 [0,0,0,0,0,0|4,0,0]=4 260 B11R1.41 COCc1ccccc1CO 34a_100138415774_100009816955 [0,0,0,0,0,0|4,0,0]=4 261 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [0,0,0,0,0,0|2,0,0]=2 262 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [0,0,0,0,0,0|2,0,0]=2 263 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [0,0,0,0,0,0|2,0,0]=2 264 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [0,0,0,0,0,0|2,0,0]=2 265 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [0,0,0,0,0,0|2,0,0]=2 266 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [0,0,0,0,0,0|2,0,0]=2 267 B11R1.41 COCc1ccccc1SC 34a_100000699167_200000210301 [0,0,0,0,0,0|2,1,0]=3 268 B11R1.41 COCc1ccccc1SC 34a_100138415774_100000699184 [0,0,0,0,0,0|2,1,0]=3 269 B11R1.41 COCc1ccccc1SC 62a_100011493684_200000210301 [0,0,0,0,0,0|2,1,0]=3 270 B11R1.41 COCc1ccccc1SC 62a_200000210301_100011493684 [0,0,0,0,0,0|2,1,0]=3 271 B11R1.41 COCc1ccccc1S[13CH3] 62a_100011493684_200025704644 [0,0,0,0,0,0|2,1,0]=3 272 B11R1.41 COCc1ccccc1S[13CH3] 62a_200025704644_100011493684 [0,0,0,0,0,0|2,1,0]=3 273 B11R1.41 COCc1cccnc1OC 34a_100000717863_200000210301 [0,0,0,0,0,0|3,0,0]=3 274 B11R1.41 COCc1cccnc1OC 34a_100138415774_100020631285 [0,0,0,0,0,0|3,0,0]=3 275 B11R1.41 COCc1ncccc1OC 34a_100011998681_200000210301 [0,0,0,0,0,0|3,0,0]=3 276 B11R1.41 COc1ccccc1CC#N 34a_100000043107_200000210301 [0,0,0,0,0,0|0,0,2]=2 277 B11R1.41 COc1ccccc1CC#N 7a_100000043107_200000210301 [0,0,0,0,0,0|0,0,2]=2 278 B11R1.41 COc1ccccc1CCBr 34a_100000722297_200000210301 [0,0,0,0,0,0|1,0,0]=1 279 B11R1.41 COc1ccccc1CCBr 7a_100000722297_200000210301 [0,0,0,0,0,0|1,0,0]=1 280 B11R1.41 COc1ccccc1CCN 34a_100011207237_200000210301 [0,0,0,0,0,0|0,0,0]=0 281 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [0,0,0,0,0,0|1,0,0]=1 282 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [0,0,0,0,0,0|1,0,0]=1 283 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [0,0,0,0,0,0|2,0,0]=2 284 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [0,0,0,0,0,0|2,0,0]=2 285 B11R1.41 COc1ccccc1CSC 62a_100000210004_200000210301 [0,0,0,0,0,0|2,0,0]=2 286 B11R1.41 COc1ccccc1CSC 62a_200000210301_100000210004 [0,0,0,0,0,0|2,0,0]=2 287 B11R1.41 COc1ccccc1CS[13CH3] 62a_100000210004_200025704644 [0,0,0,0,0,0|2,0,0]=2 288 B11R1.41 COc1ccccc1CS[13CH3] 62a_200025704644_100000210004 [0,0,0,0,0,0|2,0,0]=2 289 B11R1.41 COc1ccccc1NCF 34a_100000210025_100015361967 [0,0,0,0,0,0|2,0,0]=2 290 B11R1.41 COc1ccccc1OCF 34a_100000210385_100015361967 [0,0,0,0,0,0|2,0,0]=2 291 B11R1.41 COc1ccccc1SCF 62a_100000210334_100015361967 [0,0,0,0,0,0|2,0,0]=2 292 B11R1.41 COc1ccccc1SCF 62a_100015361967_100000210334 [0,0,0,0,0,0|2,0,0]=2 293 B11R1.41 COc1cccnc1CO[13CH3] 34a_100011998681_200025704644 [0,0,0,0,0,0|3,0,0]=3 294 B11R1.41 COc1cccnc1OCF 34a_100025773188_100015361967 [0,0,0,0,0,0|3,0,0]=3 295 B11R1.41 COc1cccnc1SCF 62a_100000767102_100015361967 [0,0,0,0,0,0|3,0,0]=3 296 B11R1.41 COc1cccnc1SCF 62a_100015361967_100000690851 [0,0,0,0,0,0|3,0,0]=3 297 B11R1.41 COc1ccncc1OCF 34a_100000101186_100015361967 [0,0,0,0,0,0|3,0,0]=3 298 B11R1.41 COc1ccncc1SCF 62a_100011997281_100015361967 [0,0,0,0,0,0|3,0,0]=3 299 B11R1.41 COc1ccncc1SCF 62a_100015361967_100011997281 [0,0,0,0,0,0|3,0,0]=3 300 B11R1.41 COc1cnccc1CSC 62a_100020635607_200000210301 [0,0,0,0,0,0|3,0,0]=3 301 B11R1.41 COc1cnccc1CSC 62a_200000210301_100020635607 [0,0,0,0,0,0|3,0,0]=3 302 B11R1.41 COc1cnccc1CS[13CH3] 62a_100020635607_200025704644 [0,0,0,0,0,0|3,0,0]=3 303 B11R1.41 COc1cnccc1CS[13CH3] 62a_200025704644_100020635607 [0,0,0,0,0,0|3,0,0]=3 304 B11R1.41 COc1cnccc1SCF 62a_100015361967_100016988167 [0,0,0,0,0,0|3,0,0]=3 305 B11R1.41 COc1cnccc1SCF 62a_100016988167_100015361967 [0,0,0,0,0,0|3,0,0]=3 306 B11R1.41 COc1cncnc1SCF 62a_100012001275_100015361967 [0,0,0,0,0,0|4,0,0]=4 307 B11R1.41 COc1cncnc1SCF 62a_100015361967_100012001275 [0,0,0,0,0,0|4,0,0]=4 308 B11R1.41 COc1ncccc1CO[13CH3] 34a_100000717863_200025704644 [0,0,0,0,0,0|3,0,0]=3 309 B11R1.41 COc1ncccc1CSC 62a_100020631285_200000210301 [0,0,0,0,0,0|3,0,0]=3 310 B11R1.41 COc1ncccc1CSC 62a_200000210301_100020631285 [0,0,0,0,0,0|3,0,0]=3 311 B11R1.41 COc1ncccc1CS[13CH3] 62a_100020631285_200025704644 [0,0,0,0,0,0|3,0,0]=3 312 B11R1.41 COc1ncccc1CS[13CH3] 62a_200025704644_100020631285 [0,0,0,0,0,0|3,0,0]=3 313 B11R1.41 COc1ncccc1OCF 34a_100000698397_100015361967 [0,0,0,0,0,0|3,0,0]=3 314 B11R1.41 COc1ncccc1OCF 7a_100000698397_100015361967 [0,0,0,0,0,0|3,0,0]=3 315 B11R1.41 COc1ncccc1SCF 62a_100000047025_100015361967 [0,0,0,0,0,0|3,0,0]=3 316 B11R1.41 COc1ncccc1SCF 62a_100015361967_100000047025 [0,0,0,0,0,0|3,0,0]=3 317 B11R1.41 COc1nccnc1SCF 62a_100009858322_100015361967 [0,0,0,0,0,0|4,0,0]=4 318 B11R1.41 COc1nccnc1SCF 62a_100015361967_100000749998 [0,0,0,0,0,0|4,0,0]=4 319 B11R1.41 COc1ncncc1SCF 62a_100000719902_100015361967 [0,0,0,0,0,0|4,0,0]=4 320 B11R1.41 COc1ncncc1SCF 62a_100015361967_100000719902 [0,0,0,0,0,0|4,0,0]=4 321 B11R1.41 CSCc1ccccc1C#N 62a_100000186380_200000210301 [0,0,0,0,0,0|4,0,0]=4 322 B11R1.41 CSCc1ccccc1C#N 62a_200000210301_100000181865 [0,0,0,0,0,0|4,0,0]=4 323 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [0,0,0,0,0,0|4,0,0]=4 324 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [0,0,0,0,0,0|4,0,0]=4 325 B11R1.41 CSCc1ccccc1CO 62a_100009816955_200000210301 [0,0,0,0,0,0|4,0,0]=4 326 B11R1.41 CSCc1ccccc1CO 62a_200000210301_100009816955 [0,0,0,0,0,0|4,0,0]=4 327 B11R1.41 CSCc1ccccc1SC 62a_100000148299_200000210301 [0,0,0,0,0,0|2,1,0]=3 328 B11R1.41 CSCc1ccccc1SC 62a_100000699184_200000210301 [0,0,0,0,0,0|2,1,0]=3 329 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000148299 [0,0,0,0,0,0|2,1,0]=3 330 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000699184 [0,0,0,0,0,0|2,1,0]=3 331 B11R1.41 CSCc1ccccc1S[13CH3] 62a_100000148299_200025704644 [0,0,0,0,0,0|2,1,0]=3 332 B11R1.41 CSCc1ccccc1S[13CH3] 62a_200025704644_100000148299 [0,0,0,0,0,0|2,1,0]=3 333 B11R1.41 CSc1ccccc1CC#N 62a_100000033512_200000210301 [0,0,0,0,0,0|0,1,2]=3 334 B11R1.41 CSc1ccccc1CC#N 62a_200000210301_100000033512 [0,0,0,0,0,0|0,1,2]=3 335 B11R1.41 CSc1ccccc1CCN 62a_100000747383_200000210301 [0,0,0,0,0,0|0,1,0]=1 336 B11R1.41 CSc1ccccc1CCN 62a_200000210301_100000747383 [0,0,0,0,0,0|0,1,0]=1 337 B11R1.41 CSc1ccccc1CCO 62a_100000731337_200000210301 [0,0,0,0,0,0|1,1,0]=2 338 B11R1.41 CSc1ccccc1CCO 62a_200000210301_100000731337 [0,0,0,0,0,0|1,1,0]=2 339 B11R1.41 CSc1ccccc1CNN 62a_200000210301_200016993956 [0,0,0,0,0,0|1,1,0]=2 340 B11R1.41 CSc1ccccc1CNN 62a_200016993956_200000210301 [0,0,0,0,0,0|1,1,0]=2 341 B11R1.41 CSc1ccccc1CN[13CH3] 34a_102495365025_200025704644 [0,0,0,0,0,0|2,1,0]=3 342 B11R1.41 CSc1ccccc1CO[13CH3] 34a_100000699167_200025704644 [0,0,0,0,0,0|2,1,0]=3 343 B11R1.41 CSc1ccccc1CS[13CH3] 62a_100000699184_200025704644 [0,0,0,0,0,0|2,1,0]=3 344 B11R1.41 CSc1ccccc1CS[13CH3] 62a_200025704644_100000699184 [0,0,0,0,0,0|2,1,0]=3 345 B11R1.41 CSc1ccccc1N=[N+]=[N-] 62a_200000210301_100000762926 [0,0,0,0,0,0|2,1,1]=4 346 B11R1.41 CSc1ccccc1NC#N 62a_200000210301_100011685340 [0,0,0,0,0,0|1,1,2]=4 347 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [0,0,0,0,0,0|2,1,1]=4 348 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [0,0,0,0,0,0|2,1,1]=4 349 B11R1.41 CSc1ccccc1NCF 34a_100000211160_100015361967 [0,0,0,0,0,0|2,1,0]=3 350 B11R1.41 CSc1ccccc1OCF 34a_100011216402_100015361967 [0,0,0,0,0,0|2,1,0]=3 351 B11R1.41 CSc1ccccc1SCF 62a_100011217816_100015361967 [0,0,0,0,0,0|2,1,0]=3 352 B11R1.41 CSc1ccccc1SCF 62a_100015361967_100011217816 [0,0,0,0,0,0|2,1,0]=3 353 B11R1.41 CSc1cccnc1CC#N 62a_100011824415_200000210301 [0,0,0,0,0,0|1,1,2]=4 354 B11R1.41 CSc1cccnc1CC#N 62a_200000210301_100011824415 [0,0,0,0,0,0|1,1,2]=4 355 B11R1.41 CSc1ncccc1CC#N 62a_100000096391_200000210301 [0,0,0,0,0,0|1,1,2]=4 356 B11R1.41 CSc1ncccc1CC#N 62a_200000210301_100000096391 [0,0,0,0,0,0|1,1,2]=4 357 B11R1.41 CSc1ncccc1SCF 62a_100011465278_100015361967 [0,0,0,0,0,0|3,1,0]=4 358 B11R1.41 CSc1ncccc1SCF 62a_100015361967_100011465278 [0,0,0,0,0,0|3,1,0]=4 359 B11R1.41 N#Cc1ccccc1NCF 34a_100000211148_100015361967 [0,0,0,0,0,0|4,0,0]=4 360 B11R1.41 N#Cc1ccccc1OCF 34a_100000211048_100015361967 [0,0,0,0,0,0|4,0,0]=4 361 B11R1.41 N#Cc1ccccc1OCF 7a_100000211048_100015361967 [0,0,0,0,0,0|4,0,0]=4 362 B11R1.41 N#Cc1ccccc1SCF 62a_100015361967_100000188569 [0,0,0,0,0,0|4,0,0]=4 363 B11R1.41 NCc1ccccc1OCF 34a_100000185550_100015361967 [0,0,0,0,0,0|4,0,0]=4 364 B11R1.41 NCc1ccccc1SCF 62a_100000689332_100015361967 [0,0,0,0,0,0|4,0,0]=4 365 B11R1.41 NCc1ccccc1SCF 62a_100015361967_100000689332 [0,0,0,0,0,0|4,0,0]=4 366 B11R1.41 NNc1ccccc1SCF 62a_100000241748_100015361967 [0,0,0,0,0,0|4,0,0]=4 367 B11R1.41 NNc1ccccc1SCF 62a_100015361967_100000241748 [0,0,0,0,0,0|4,0,0]=4 368 B11R1.41 O=Cc1ccccc1SCF 62a_100000210073_100015361967 [0,0,0,0,0,0|4,0,0]=4 369 B11R1.41 O=Cc1ccccc1SCF 62a_100015361967_100000210073 [0,0,0,0,0,0|4,0,0]=4 370 B11R1.41 OCc1ccccc1NCF 34a_100000212039_100015361967 [0,0,0,0,0,0|4,0,0]=4 371 B11R1.41 OCc1ccccc1OCF 34a_100011216872_100015361967 [0,0,0,0,0,0|4,0,0]=4 372 B11R1.41 OCc1ccccc1SCF 62a_100000187465_100015361967 [0,0,0,0,0,0|4,0,0]=4 373 B11R1.41 OCc1ccccc1SCF 62a_100015361967_100000187465 [0,0,0,0,0,0|4,0,0]=4 374 B11R1.41 [13CH3]NCc1ccccc1C#N 34a_100016989011_200025704644 [0,0,0,0,0,0|4,0,0]=4 375 B11R1.41 [13CH3]Nc1ccccc1CCO 2230a_100011215289_200025704644 [0,0,0,0,0,0|2,0,0]=2 376 B11R1.41 [13CH3]Nc1ccccc1CCO 34a_100011215289_200025704644 [0,0,0,0,0,0|2,0,0]=2 377 B11R1.41 [13CH3]OCc1ccccc1C#N 34a_200011269968_200025704644 [0,0,0,0,0,0|4,0,0]=4 378 B11R1.41 [13CH3]OCc1ccccc1C#N 7a_200011269968_200025704644 [0,0,0,0,0,0|4,0,0]=4 379 B11R1.41 [13CH3]OCc1ccccc1CBr 34a_100009816955_200025704644 [0,0,0,0,0,0|4,0,0]=4 380 B11R1.41 [13CH3]OCc1ccccc1CBr 7a_100009816955_200025704644 [0,0,0,0,0,0|4,0,0]=4 381 B11R1.41 [13CH3]OCc1ccccc1CN 34a_100000743596_200025704644 [0,0,0,0,0,0|4,0,0]=4 382 B11R1.41 [13CH3]Oc1ccccc1CC#N 34a_100000043107_200025704644 [0,0,0,0,0,0|0,0,2]=2 383 B11R1.41 [13CH3]Oc1ccccc1CC#N 7a_100000043107_200025704644 [0,0,0,0,0,0|0,0,2]=2 384 B11R1.41 [13CH3]Oc1ccccc1CCBr 34a_100000722297_200025704644 [0,0,0,0,0,0|1,0,0]=1 385 B11R1.41 [13CH3]Oc1ccccc1CCBr 7a_100000722297_200025704644 [0,0,0,0,0,0|1,0,0]=1 386 B11R1.41 [13CH3]Oc1ccccc1CCN 34a_100011207237_200025704644 [0,0,0,0,0,0|0,0,0]=0 387 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [0,0,0,0,0,0|1,0,0]=1 388 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [0,0,0,0,0,0|1,0,0]=1 389 B11R1.41 [13CH3]SCc1ccccc1C#N 62a_100000186380_200025704644 [0,0,0,0,0,0|4,0,0]=4 390 B11R1.41 [13CH3]SCc1ccccc1C#N 62a_200025704644_100000181865 [0,0,0,0,0,0|4,0,0]=4 391 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [0,0,0,0,0,0|4,0,0]=4 392 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [0,0,0,0,0,0|4,0,0]=4 393 B11R1.41 [13CH3]SCc1ccccc1CO 62a_100009816955_200025704644 [0,0,0,0,0,0|4,0,0]=4 394 B11R1.41 [13CH3]SCc1ccccc1CO 62a_200025704644_100009816955 [0,0,0,0,0,0|4,0,0]=4 395 B11R1.41 [13CH3]Sc1ccccc1CC#N 62a_100000033512_200025704644 [0,0,0,0,0,0|0,1,2]=3 396 B11R1.41 [13CH3]Sc1ccccc1CC#N 62a_200025704644_100000033512 [0,0,0,0,0,0|0,1,2]=3 397 B11R1.41 [13CH3]Sc1ccccc1CCN 62a_100000747383_200025704644 [0,0,0,0,0,0|0,1,0]=1 398 B11R1.41 [13CH3]Sc1ccccc1CCN 62a_200025704644_100000747383 [0,0,0,0,0,0|0,1,0]=1 399 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_100000731337_200025704644 [0,0,0,0,0,0|1,1,0]=2 400 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_200025704644_100000731337 [0,0,0,0,0,0|1,1,0]=2 401 B11R1.41 [13CH3]Sc1ccccc1CNN 62a_200016993956_200025704644 [0,0,0,0,0,0|1,1,0]=2 402 B11R1.41 [13CH3]Sc1ccccc1CNN 62a_200025704644_200016993956 [0,0,0,0,0,0|1,1,0]=2 403 B11R1.41 [13CH3]Sc1ccccc1N=[N+]=[N-] 62a_200025704644_100000762926 [0,0,0,0,0,0|2,1,1]=4 404 B11R1.41 [13CH3]Sc1ccccc1NC#N 62a_200025704644_100011685340 [0,0,0,0,0,0|1,1,2]=4 405 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [0,0,0,0,0,0|2,1,1]=4 406 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [0,0,0,0,0,0|2,1,1]=4 407 B11R1.41 [13CH3]Sc1cccnc1CC#N 62a_100011824415_200025704644 [0,0,0,0,0,0|1,1,2]=4 408 B11R1.41 [13CH3]Sc1cccnc1CC#N 62a_200025704644_100011824415 [0,0,0,0,0,0|1,1,2]=4 409 B11R1.41 [13CH3]Sc1ncccc1CC#N 62a_100000096391_200025704644 [0,0,0,0,0,0|1,1,2]=4 410 B11R1.41 [13CH3]Sc1ncccc1CC#N 62a_200025704644_100000096391 [0,0,0,0,0,0|1,1,2]=4 411 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,0,0,0,0,0|1,0,2]=4 412 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,0,0,0,0,0|1,0,2]=4 413 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,0,0,0,0,0|1,0,1]=3 414 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,0,0,0,0,0|1,0,2]=4 415 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,0,0,0,0,0|1,0,2]=4 416 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [1,0,0,0,0,0|3,0,0]=4 417 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,0,0,0,0,0|3,0,0]=4 418 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,0,0,0,0,0|2,0,0]=3 419 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,0,0,0,0,0|3,0,0]=4 420 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,0,0,0,0,0|3,0,0]=4 421 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,0,0,0,0,0|3,0,0]=4 422 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,0,0,0,0,0|2,0,0]=3 423 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,0,0,0,0,0|2,0,0]=3 424 B10R1.4 CCNc1ccncc1C 27a_100015525214_100000765111 [1,0,0,0,0,0|3,0,0]=4 425 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,0,0,0,0,0|3,0,0]=4 426 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,0,0,0,0,0|3,0,0]=4 427 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,0,0,0,0,0|2,0,0]=3 428 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,0,0,0,0,0|2,0,0]=3 429 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,0,0,0,0,0|3,0,0]=4 430 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,0,0,0,0,0|3,0,0]=4 431 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,0,0,0,0,0|3,0,0]=4 432 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,0,0,0,0,0|3,0,0]=4 433 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,0,0,0,0,0|3,0,0]=4 434 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,0,0,0,0,0|3,0,0]=4 435 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,0,0,0,0,0|3,0,0]=4 436 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,0,0,0,0,0|3,0,0]=4 437 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,0,0,0,0,0|2,0,0]=3 438 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,0,0,0,0,0|3,0,0]=4 439 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,0,0,0,0,0|3,0,0]=4 440 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,0,0,0,0,0|3,0,0]=4 441 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [1,0,0,0,0,0|3,0,0]=4 442 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,0,0,0,0,0|3,0,0]=4 443 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,0,0,0,0,0|3,0,0]=4 444 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,0,0,0,0,0|3,0,0]=4 445 B10R1.4 CCSc1cccc[n+]1C 62a_100000210202_100000212160 [1,0,0,0,0,0|3,0,0]=4 446 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,0,0,0,0,0|3,0,0]=4 447 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,0,0,0,0,0|3,0,0]=4 448 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,0,0,0,0,0|2,0,0]=3 449 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,0,0,0,0,0|2,0,0]=3 450 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,0,0,0,0,0|3,0,0]=4 451 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,0,0,0,0,0|3,0,0]=4 452 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,0,0,0,0,0|3,0,0]=4 453 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,0,0,0,0,0|3,0,0]=4 454 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,0,0,0,0,0|3,0,0]=4 455 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,0,0,0,0,0|3,0,0]=4 456 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,0,0,0,0,0|2,0,0]=3 457 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,0,0,0,0,0|2,0,0]=3 458 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,0,0,0,0,0|2,0,0]=3 459 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [1,0,0,0,0,0|3,0,0]=4 460 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [1,0,0,0,0,0|3,0,0]=4 461 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [1,0,0,0,0,0|3,0,0]=4 462 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [1,0,0,0,0,0|3,0,0]=4 463 B10R1.4 CCSc1ccncc1C 62a_100000210202_100000765111 [1,0,0,0,0,0|3,0,0]=4 464 B10R1.4 CCSc1ccncc1C 62a_100000765111_100000210202 [1,0,0,0,0,0|3,0,0]=4 465 B10R1.4 CCSc1ccncc1O 62a_100000210202_100009817591 [1,0,0,0,0,0|3,0,0]=4 466 B10R1.4 CCSc1ccncc1O 62a_100009817591_100000210202 [1,0,0,0,0,0|3,0,0]=4 467 B10R1.4 CCSc1cnccc1C 62a_100000210202_100000761580 [1,0,0,0,0,0|3,0,0]=4 468 B10R1.4 CCSc1cnccc1C 62a_100000761580_100000210202 [1,0,0,0,0,0|3,0,0]=4 469 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,0,0,0,0,0|3,0,0]=4 470 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,0,0,0,0,0|3,0,0]=4 471 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [1,0,0,0,0,0|3,0,0]=4 472 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [1,0,0,0,0,0|3,0,0]=4 473 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,0,0,0,0,0|3,0,0]=4 474 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,0,0,0,0,0|3,0,0]=4 475 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,0,0,0,0,0|3,0,0]=4 476 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,0,0,0,0,0|3,0,0]=4 477 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,0,0,0,0,0|3,0,0]=4 478 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,0,0,0,0,0|3,0,0]=4 479 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,0,0,0,0,0|3,0,0]=4 480 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,0,0,0,0,0|3,0,0]=4 481 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,0,0,0,0,0|2,0,0]=3 482 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,0,0,0,0,0|2,0,0]=3 483 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,0,0,0,0,0|2,0,0]=3 484 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,0,0,0,0,0|2,0,0]=3 485 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,0,0,0,0,0|2,0,0]=3 486 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,0,0,0,0,0|2,0,0]=3 487 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,0,0,0,0,0|3,0,0]=4 488 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,0,0,0,0,0|3,0,0]=4 489 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,0,0,0,0,0|3,0,0]=4 490 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,0,0,0,0,0|3,0,0]=4 491 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,0,0,0,0,0|3,0,0]=4 492 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,0,0,0,0,0|3,0,0]=4 493 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,0,0,0,0,0|3,0,0]=4 494 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,0,0,0,0,0|3,0,0]=4 495 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,0,0,0,0,0|3,0,0]=4 496 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,0,0,0,0,0|3,0,0]=4 497 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,0,0,0,0,0|3,0,0]=4 498 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,0,0,0,0,0|3,0,0]=4 499 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,0,0,0,0,0|3,0,0]=4 500 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,0,0,0,0,0|3,0,0]=4 501 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,0,0,0,0,0|3,0,0]=4 502 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,0,0,0,0,0|3,0,0]=4 503 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,0,0,0,0,0|3,0,0]=4 504 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,0,0,0,0,0|3,0,0]=4 505 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,0,0,0,0,0|3,0,0]=4 506 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,0,0,0,0,0|2,0,0]=3 507 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,0,0,0,0,0|2,0,0]=3 508 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,0,0,0,0,0|3,0,0]=4 509 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,0,0,0,0,0|3,0,0]=4 510 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,0,0,0,0,0|3,0,0]=4 511 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,0,0,0,0,0|3,0,0]=4 512 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,0,0,0,0,0|3,0,0]=4 513 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,0,0,0,0,0|3,0,0]=4 514 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,0,0,0,0,0|3,0,0]=4 515 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,0,0,0,0,0|3,0,0]=4 516 B10R1.4 CNCc1ccncc1C 2230a_106832991635_100020672808 [1,0,0,0,0,0|3,0,0]=4 517 B10R1.4 CNCc1ccncc1C 34a_100102657272_100020672809 [1,0,0,0,0,0|3,0,0]=4 518 B10R1.4 CNCc1ccncc1C 7a_106832991635_100020672808 [1,0,0,0,0,0|3,0,0]=4 519 B10R1.4 CNCc1cnccc1C 207a_100102657272_100000685662 [1,0,0,0,0,0|3,0,0]=4 520 B10R1.4 CNCc1cnccc1C 2230a_106832991635_100000690890 [1,0,0,0,0,0|3,0,0]=4 521 B10R1.4 CNCc1cnccc1C 270004a_106832991635_100000685662 [1,0,0,0,0,0|3,0,0]=4 522 B10R1.4 CNCc1cnccc1C 34a_100102657272_100000690890 [1,0,0,0,0,0|3,0,0]=4 523 B10R1.4 CNCc1cnccc1C 7a_106832991635_100000690890 [1,0,0,0,0,0|3,0,0]=4 524 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,0,0,0,0,0|3,0,0]=4 525 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,0,0,0,0,0|3,0,0]=4 526 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,0,0,0,0,0|3,0,0]=4 527 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,0,0,0,0,0|3,0,0]=4 528 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,0,0,0,0,0|3,0,0]=4 529 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,0,0,0,0,0|3,0,0]=4 530 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,0,0,0,0,0|3,0,0]=4 531 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,0,0,0,0,0|3,0,0]=4 532 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,0,0,0,0,0|3,0,0]=4 533 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,0,0,0,0,0|3,0,0]=4 534 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,0,0,0,0,0|3,0,0]=4 535 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,0,0,0,0,0|2,0,0]=3 536 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,0,0,0,0,0|2,0,0]=3 537 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,0,0,0,0,0|2,0,0]=3 538 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,0,0,0,0,0|3,0,0]=4 539 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,0,0,0,0,0|3,0,0]=4 540 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,0,0,0,0,0|3,0,0]=4 541 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,0,0,0,0,0|3,0,0]=4 542 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,0,0,0,0,0|3,0,0]=4 543 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,0,0,0,0,0|3,0,0]=4 544 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,0,0,0,0,0|3,0,0]=4 545 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,0,0,0,0,0|3,0,0]=4 546 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,0,0,0,0,0|3,0,0]=4 547 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,0,0,0,0,0|3,0,0]=4 548 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,0,0,0,0,0|2,0,0]=3 549 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [1,0,0,0,0,0|3,0,0]=4 550 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [1,0,0,0,0,0|3,0,0]=4 551 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [1,0,0,0,0,0|3,0,0]=4 552 B10R1.4 COCc1ccncc1C 34a_100011997032_200000210301 [1,0,0,0,0,0|3,0,0]=4 553 B10R1.4 COCc1ccncc1C 34a_100138415774_100020672809 [1,0,0,0,0,0|3,0,0]=4 554 B10R1.4 COCc1cnccc1C 34a_100011996381_200000210301 [1,0,0,0,0,0|3,0,0]=4 555 B10R1.4 COCc1cnccc1C 34a_100138415774_100000690890 [1,0,0,0,0,0|3,0,0]=4 556 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,0,0,0,0,0|3,0,0]=4 557 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,0,0,0,0,0|3,0,0]=4 558 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,0,0,0,0,0|3,0,0]=4 559 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,0,0,0,0,0|3,0,0]=4 560 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,0,0,0,0,0|3,0,0]=4 561 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,0,0,0,0,0|2,0,0]=3 562 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,0,0,0,0,0|2,0,0]=3 563 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,0,0,0,0,0|3,0,0]=4 564 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,0,0,0,0,0|3,0,0]=4 565 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,0,0,0,0,0|3,0,0]=4 566 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,0,0,0,0,0|3,0,0]=4 567 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,0,0,0,0,0|3,0,0]=4 568 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,0,0,0,0,0|3,0,0]=4 569 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,0,0,0,0,0|2,0,0]=3 570 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [1,0,0,0,0,0|3,0,0]=4 571 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [1,0,0,0,0,0|3,0,0]=4 572 B10R1.4 CSCc1ccncc1C 62a_100020672808_200000210301 [1,0,0,0,0,0|3,0,0]=4 573 B10R1.4 CSCc1ccncc1C 62a_200000210301_100020672808 [1,0,0,0,0,0|3,0,0]=4 574 B10R1.4 CSCc1cnccc1C 62a_100000690890_200000210301 [1,0,0,0,0,0|3,0,0]=4 575 B10R1.4 CSCc1cnccc1C 62a_200000210301_100000690890 [1,0,0,0,0,0|3,0,0]=4 576 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [1,0,0,0,0,0|3,0,0]=4 577 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [1,0,0,0,0,0|3,0,0]=4 578 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [1,0,0,0,0,0|3,0,0]=4 579 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [1,0,0,0,0,0|3,0,0]=4 580 B10R1.4 C[n+]1ccccc1SCF 62a_100015361967_100000212160 [1,0,0,0,0,0|3,0,0]=4 581 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,0,0,0,0,0|2,0,0]=3 582 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,0,0,0,0,0|2,0,0]=3 583 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,0,0,0,0,0|2,0,0]=3 584 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,0,0,0,0,0|2,0,0]=3 585 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,0,0,0,0,0|2,0,0]=3 586 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [1,0,0,0,0,0|2,0,0]=3 587 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,0,0,0,0,0|2,0,0]=3 588 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,0,0,0,0,0|2,0,0]=3 589 B10R1.4 Cc1ccccc1SCF 62a_100000210755_100015361967 [1,0,0,0,0,0|2,0,0]=3 590 B10R1.4 Cc1ccccc1SCF 62a_100015361967_100000210755 [1,0,0,0,0,0|2,0,0]=3 591 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,0,0,0,0,0|3,0,0]=4 592 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,0,0,0,0,0|3,0,0]=4 593 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [1,0,0,0,0,0|3,0,0]=4 594 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [1,0,0,0,0,0|3,0,0]=4 595 B10R1.4 Cc1cccnc1SCF 62a_100000751373_100015361967 [1,0,0,0,0,0|3,0,0]=4 596 B10R1.4 Cc1cccnc1SCF 62a_100015361967_100000751373 [1,0,0,0,0,0|3,0,0]=4 597 B10R1.4 Cc1ccncc1CO[13CH3] 34a_100011996381_200025704644 [1,0,0,0,0,0|3,0,0]=4 598 B10R1.4 Cc1ccncc1CS[13CH3] 62a_100000690890_200025704644 [1,0,0,0,0,0|3,0,0]=4 599 B10R1.4 Cc1ccncc1CS[13CH3] 62a_200025704644_100000690890 [1,0,0,0,0,0|3,0,0]=4 600 B10R1.4 Cc1ccncc1OCF 34a_100011997053_100015361967 [1,0,0,0,0,0|3,0,0]=4 601 B10R1.4 Cc1ccncc1OCF 7a_100011997053_100015361967 [1,0,0,0,0,0|3,0,0]=4 602 B10R1.4 Cc1ccncc1SCF 62a_100000761580_100015361967 [1,0,0,0,0,0|3,0,0]=4 603 B10R1.4 Cc1ccncc1SCF 62a_100015361967_100000761580 [1,0,0,0,0,0|3,0,0]=4 604 B10R1.4 Cc1cnccc1CO[13CH3] 34a_100011997032_200025704644 [1,0,0,0,0,0|3,0,0]=4 605 B10R1.4 Cc1cnccc1CS[13CH3] 62a_100020672808_200025704644 [1,0,0,0,0,0|3,0,0]=4 606 B10R1.4 Cc1cnccc1CS[13CH3] 62a_200025704644_100020672808 [1,0,0,0,0,0|3,0,0]=4 607 B10R1.4 Cc1cnccc1OCF 34a_100000694293_100015361967 [1,0,0,0,0,0|3,0,0]=4 608 B10R1.4 Cc1cnccc1SCF 62a_100000765111_100015361967 [1,0,0,0,0,0|3,0,0]=4 609 B10R1.4 Cc1cnccc1SCF 62a_100015361967_100000765111 [1,0,0,0,0,0|3,0,0]=4 610 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [1,0,0,0,0,0|3,0,0]=4 611 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [1,0,0,0,0,0|3,0,0]=4 612 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [1,0,0,0,0,0|3,0,0]=4 613 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [1,0,0,0,0,0|3,0,0]=4 614 B10R1.4 Cc1ncccc1OCF 34a_100000745507_100015361967 [1,0,0,0,0,0|3,0,0]=4 615 B10R1.4 Cc1ncccc1OCF 7a_100000745507_100015361967 [1,0,0,0,0,0|3,0,0]=4 616 B10R1.4 Cc1ncccc1SCF 62a_100000751574_100015361967 [1,0,0,0,0,0|3,0,0]=4 617 B10R1.4 Cc1ncccc1SCF 62a_100015361967_100000751574 [1,0,0,0,0,0|3,0,0]=4 618 B10R1.4 FCNc1ccccc1Br 34a_100000210017_100015361967 [1,0,0,0,0,0|3,0,0]=4 619 B10R1.4 FCNc1ccccc1Cl 34a_100000185783_100015361967 [1,0,0,0,0,0|3,0,0]=4 620 B10R1.4 FCNc1ccccc1F 34a_100000210422_100015361967 [1,0,0,0,0,0|3,0,0]=4 621 B10R1.4 FCNc1ccccc1I 34a_100000210053_100015361967 [1,0,0,0,0,0|3,0,0]=4 622 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [1,0,0,0,0,0|3,0,0]=4 623 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [1,0,0,0,0,0|3,0,0]=4 624 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [1,0,0,0,0,0|3,0,0]=4 625 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [1,0,0,0,0,0|3,0,0]=4 626 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [1,0,0,0,0,0|3,0,0]=4 627 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [1,0,0,0,0,0|3,0,0]=4 628 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [1,0,0,0,0,0|3,0,0]=4 629 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [1,0,0,0,0,0|3,0,0]=4 630 B10R1.4 FCSc1ccccc1Br 62a_100000695589_100015361967 [1,0,0,0,0,0|3,0,0]=4 631 B10R1.4 FCSc1ccccc1Br 62a_100015361967_100000695589 [1,0,0,0,0,0|3,0,0]=4 632 B10R1.4 FCSc1ccccc1Cl 62a_100000764095_100015361967 [1,0,0,0,0,0|3,0,0]=4 633 B10R1.4 FCSc1ccccc1Cl 62a_100015361967_100000764095 [1,0,0,0,0,0|3,0,0]=4 634 B10R1.4 FCSc1ccccc1F 62a_100011215700_100015361967 [1,0,0,0,0,0|3,0,0]=4 635 B10R1.4 FCSc1ccccc1F 62a_100015361967_100011215700 [1,0,0,0,0,0|3,0,0]=4 636 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,0,0,0,0,0|0,0,2]=3 637 B10R1.4 N#CCc1cccnc1O 271570a_203496583355_100000096391 [1,0,0,0,0,0|1,0,2]=4 638 B10R1.4 N#CCc1ncccc1O 271570a_203496583355_100011824415 [1,0,0,0,0,0|1,0,2]=4 639 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,0,0,0,0,0|0,0,0]=1 640 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,0,0,0,0,0|1,0,0]=2 641 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [1,0,0,0,0,0|3,0,0]=4 642 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [1,0,0,0,0,0|3,0,0]=4 643 B10R1.4 Nc1ccccc1SCF 62a_100000210017_100015361967 [1,0,0,0,0,0|3,0,0]=4 644 B10R1.4 Nc1ccccc1SCF 62a_100015361967_100000210017 [1,0,0,0,0,0|3,0,0]=4 645 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,0,0,0,0,0|1,0,0]=2 646 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,0,0,0,0,0|2,0,0]=3 647 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,0,0,0,0,0|2,0,0]=3 648 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,0,0,0,0,0|2,0,0]=3 649 B10R1.4 Oc1cccnc1SCF 62a_100000034122_100015361967 [1,0,0,0,0,0|3,0,0]=4 650 B10R1.4 Oc1cccnc1SCF 62a_100015361967_100000034122 [1,0,0,0,0,0|3,0,0]=4 651 B10R1.4 Oc1cnccc1SCF 62a_100009817591_100015361967 [1,0,0,0,0,0|3,0,0]=4 652 B10R1.4 Oc1cnccc1SCF 62a_100015361967_100009817591 [1,0,0,0,0,0|3,0,0]=4 653 B10R1.4 Oc1ncccc1SCF 62a_100000760158_100015361967 [1,0,0,0,0,0|3,0,0]=4 654 B10R1.4 Oc1ncccc1SCF 62a_100015361967_100000760158 [1,0,0,0,0,0|3,0,0]=4 655 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,0,0,0,0,0|3,0,0]=4 656 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,0,0,0,0,0|3,0,0]=4 657 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,0,0,0,0,0|3,0,0]=4 658 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,0,0,0,0,0|3,0,0]=4 659 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,0,0,0,0,0|3,0,0]=4 660 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,0,0,0,0,0|2,0,0]=3 661 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,0,0,0,0,0|3,0,0]=4 662 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,0,0,0,0,0|3,0,0]=4 663 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,0,0,0,0,0|3,0,0]=4 664 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,0,0,0,0,0|3,0,0]=4 665 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,0,0,0,0,0|3,0,0]=4 666 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,0,0,0,0,0|3,0,0]=4 667 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,0,0,0,0,0|3,0,0]=4 668 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,0,0,0,0,0|3,0,0]=4 669 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,0,0,0,0,0|3,0,0]=4 670 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,0,0,0,0,0|3,0,0]=4 671 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,0,0,0,0,0|3,0,0]=4 672 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,0,0,0,0,0|3,0,0]=4 673 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,0,0,0,0,0|3,0,0]=4 674 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,0,0,0,0,0|3,0,0]=4 675 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,0,0,0,0,0|3,0,0]=4 676 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,0,0,0,0,0|3,0,0]=4 677 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,0,0,0,0,0|3,0,0]=4 678 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [1,0,0,0,0,0|3,0,0]=4 679 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [1,0,0,0,0,0|3,0,0]=4 680 B10R1.4 [N-]=[N+]=Nc1ccccc1O 271570a_203496583355_100000762926 [1,0,0,0,0,0|2,0,1]=4 681 B10R1.20 C#Cc1ccccc1NC 34a_100011470550_200000210301 [1,0,0,0,0,0|1,0,2]=4 682 B10R1.20 C#Cc1ccccc1N[13CH3] 34a_100011470550_200025704644 [1,0,0,0,0,0|1,0,2]=4 683 B10R1.20 C#Cc1ccccc1OC 34a_200011470546_200000210301 [1,0,0,0,0,0|0,0,2]=3 684 B10R1.20 C#Cc1ccccc1OC 7a_200011470546_200000210301 [1,0,0,0,0,0|0,0,2]=3 685 B10R1.20 C#Cc1ccccc1O[13CH3] 34a_200011470546_200025704644 [1,0,0,0,0,0|0,0,2]=3 686 B10R1.20 C#Cc1ccccc1O[13CH3] 7a_200011470546_200025704644 [1,0,0,0,0,0|0,0,2]=3 687 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [1,0,0,0,0,0|1,0,1]=3 688 B10R1.20 C=Cc1ccccc1CN 271570a_100011290941_100000689332 [1,0,0,0,0,0|1,0,1]=3 689 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [1,0,0,0,0,0|2,0,1]=4 690 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [1,0,0,0,0,0|1,0,2]=4 691 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [1,0,0,0,0,0|1,0,2]=4 692 B10R1.20 C=Cc1ccccc1NN 271570a_100011290941_100000241748 [1,0,0,0,0,0|2,0,1]=4 693 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [1,0,0,0,0,0|1,0,2]=4 694 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [1,0,0,0,0,0|0,0,2]=3 695 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [1,0,0,0,0,0|0,1,2]=4 696 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [1,0,0,0,0,0|0,1,2]=4 697 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [1,0,0,0,0,0|0,1,2]=4 698 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [1,0,0,0,0,0|0,1,2]=4 699 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [1,0,0,0,0,0|0,1,2]=4 700 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [1,0,0,0,0,0|2,0,1]=4 701 B10R1.20 C=Cc1cccnc1CN 271570a_100011290941_100020591323 [1,0,0,0,0,0|2,0,1]=4 702 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [1,0,0,0,0,0|1,0,2]=4 703 B10R1.20 C=Cc1ccncc1CC 271570a_100011290941_100025704421 [1,0,0,0,0,0|2,0,1]=4 704 B10R1.20 C=Cc1ccncc1OC 271570a_100011290941_100016988167 [1,0,0,0,0,0|1,0,2]=4 705 B10R1.20 C=Cc1cnccc1CC 271570a_100011290941_100009819861 [1,0,0,0,0,0|2,0,1]=4 706 B10R1.20 C=Cc1cnccc1CN 271570a_100011290941_100020640021 [1,0,0,0,0,0|2,0,1]=4 707 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [1,0,0,0,0,0|1,0,2]=4 708 B10R1.20 C=Cc1ncccc1CN 271570a_100011290941_100015189234 [1,0,0,0,0,0|2,0,1]=4 709 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [1,0,0,0,0,0|1,0,2]=4 710 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [1,0,0,0,0,0|1,0,0]=2 711 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [1,0,0,0,0,0|1,0,0]=2 712 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [1,0,0,0,0,0|1,0,0]=2 713 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [1,0,0,0,0,0|1,0,0]=2 714 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [1,0,0,0,0,0|1,0,0]=2 715 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [1,0,0,0,0,0|1,0,0]=2 716 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [1,0,0,0,0,0|0,0,0]=1 717 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [1,0,0,0,0,0|0,0,0]=1 718 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [1,0,0,0,0,0|0,0,0]=1 719 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [1,0,0,0,0,0|0,0,0]=1 720 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [1,0,0,0,0,0|0,1,0]=2 721 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [1,0,0,0,0,0|0,1,0]=2 722 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [1,0,0,0,0,0|0,1,0]=2 723 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [1,0,0,0,0,0|0,1,0]=2 724 B10R1.20 CCc1ccncc1SC 62a_100009819861_200000210301 [1,0,0,0,0,0|1,1,0]=3 725 B10R1.20 CCc1ccncc1SC 62a_200000210301_100009819861 [1,0,0,0,0,0|1,1,0]=3 726 B10R1.20 CCc1ccncc1S[13CH3] 62a_100009819861_200025704644 [1,0,0,0,0,0|1,1,0]=3 727 B10R1.20 CCc1ccncc1S[13CH3] 62a_200025704644_100009819861 [1,0,0,0,0,0|1,1,0]=3 728 B10R1.20 CCc1cnccc1SC 62a_100025704421_200000210301 [1,0,0,0,0,0|1,1,0]=3 729 B10R1.20 CCc1cnccc1SC 62a_200000210301_100025704421 [1,0,0,0,0,0|1,1,0]=3 730 B10R1.20 CCc1cnccc1S[13CH3] 62a_100025704421_200025704644 [1,0,0,0,0,0|1,1,0]=3 731 B10R1.20 CCc1cnccc1S[13CH3] 62a_200025704644_100025704421 [1,0,0,0,0,0|1,1,0]=3 732 B10R1.20 CCc1cncnc1NC 27a_100102657272_200000100055 [1,0,0,0,0,0|3,0,0]=4 733 B10R1.20 CCc1cncnc1SC 62a_200000100055_200000210301 [1,0,0,0,0,0|2,1,0]=4 734 B10R1.20 CCc1cncnc1SC 62a_200000210301_200000100055 [1,0,0,0,0,0|2,1,0]=4 735 B10R1.20 CCc1cncnc1S[13CH3] 62a_200000100055_200025704644 [1,0,0,0,0,0|2,1,0]=4 736 B10R1.20 CCc1cncnc1S[13CH3] 62a_200025704644_200000100055 [1,0,0,0,0,0|2,1,0]=4 737 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [1,0,0,0,0,0|1,1,0]=3 738 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [1,0,0,0,0,0|1,1,0]=3 739 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [1,0,0,0,0,0|1,1,0]=3 740 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [1,0,0,0,0,0|1,1,0]=3 741 B10R1.20 CCc1nccnc1NC 27a_100102657272_100011995844 [1,0,0,0,0,0|3,0,0]=4 742 B10R1.20 CCc1nccnc1SC 62a_100011995844_200000210301 [1,0,0,0,0,0|2,1,0]=4 743 B10R1.20 CCc1nccnc1SC 62a_200000210301_100011995844 [1,0,0,0,0,0|2,1,0]=4 744 B10R1.20 CCc1nccnc1S[13CH3] 62a_100011995844_200025704644 [1,0,0,0,0,0|2,1,0]=4 745 B10R1.20 CCc1nccnc1S[13CH3] 62a_200025704644_100011995844 [1,0,0,0,0,0|2,1,0]=4 746 B10R1.20 CCc1ncncc1NC 27a_100102657272_100009816992 [1,0,0,0,0,0|3,0,0]=4 747 B10R1.20 CCc1ncncc1SC 62a_100009816992_200000210301 [1,0,0,0,0,0|2,1,0]=4 748 B10R1.20 CCc1ncncc1SC 62a_200000210301_100009816992 [1,0,0,0,0,0|2,1,0]=4 749 B10R1.20 CCc1ncncc1S[13CH3] 62a_100009816992_200025704644 [1,0,0,0,0,0|2,1,0]=4 750 B10R1.20 CCc1ncncc1S[13CH3] 62a_200025704644_100009816992 [1,0,0,0,0,0|2,1,0]=4 751 B10R1.20 CNc1ccccc1C#N 34a_100000211148_200000210301 [1,0,0,0,0,0|1,0,2]=4 752 B10R1.20 CNc1ccccc1CO 34a_100000212039_200000210301 [1,0,0,0,0,0|2,0,0]=3 753 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [1,0,0,0,0,0|1,0,0]=2 754 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [1,0,0,0,0,0|1,0,0]=2 755 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [1,0,0,0,0,0|1,0,0]=2 756 B10R1.20 CNc1ccccc1SC 34a_100000211160_200000210301 [1,0,0,0,0,0|1,1,0]=3 757 B10R1.20 CNc1ccccc1SC 62a_100020606079_200000210301 [1,0,0,0,0,0|1,1,0]=3 758 B10R1.20 CNc1ccccc1SC 62a_200000210301_100020606079 [1,0,0,0,0,0|1,1,0]=3 759 B10R1.20 CNc1ccccc1S[13CH3] 62a_100020606079_200025704644 [1,0,0,0,0,0|1,1,0]=3 760 B10R1.20 CNc1ccccc1S[13CH3] 62a_200025704644_100020606079 [1,0,0,0,0,0|1,1,0]=3 761 B10R1.20 CNc1cccnc1SC 62a_200000210301_200011806188 [1,0,0,0,0,0|2,1,0]=4 762 B10R1.20 CNc1cccnc1S[13CH3] 62a_200025704644_200011806188 [1,0,0,0,0,0|2,1,0]=4 763 B10R1.20 CNc1ccncc1CO 27a_100102657272_100000117392 [1,0,0,0,0,0|3,0,0]=4 764 B10R1.20 CNc1ccncc1SC 62a_100010069531_200000210301 [1,0,0,0,0,0|2,1,0]=4 765 B10R1.20 CNc1ccncc1SC 62a_200000210301_100010069531 [1,0,0,0,0,0|2,1,0]=4 766 B10R1.20 CNc1ccncc1S[13CH3] 62a_100010069531_200025704644 [1,0,0,0,0,0|2,1,0]=4 767 B10R1.20 CNc1ccncc1S[13CH3] 62a_200025704644_100010069531 [1,0,0,0,0,0|2,1,0]=4 768 B10R1.20 CNc1ncccc1SC 62a_100000700899_200000210301 [1,0,0,0,0,0|2,1,0]=4 769 B10R1.20 CNc1ncccc1SC 62a_200000210301_100000700899 [1,0,0,0,0,0|2,1,0]=4 770 B10R1.20 CNc1ncccc1S[13CH3] 62a_100000700899_200025704644 [1,0,0,0,0,0|2,1,0]=4 771 B10R1.20 CNc1ncccc1S[13CH3] 62a_200025704644_100000700899 [1,0,0,0,0,0|2,1,0]=4 772 B10R1.20 CNc1nccnc1OC 27a_100102657272_100009858322 [1,0,0,0,0,0|3,0,0]=4 773 B10R1.20 CNc1ncncc1OC 27a_100102657272_100012001275 [1,0,0,0,0,0|3,0,0]=4 774 B10R1.20 COc1ccccc1C#N 34a_100000211048_200000210301 [1,0,0,0,0,0|0,0,2]=3 775 B10R1.20 COc1ccccc1C#N 7a_100000211048_200000210301 [1,0,0,0,0,0|0,0,2]=3 776 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [1,0,0,0,0,0|0,0,0]=1 777 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [1,0,0,0,0,0|1,0,0]=2 778 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [1,0,0,0,0,0|1,0,0]=2 779 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [1,0,0,0,0,0|1,0,0]=2 780 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [1,0,0,0,0,0|1,0,0]=2 781 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [1,0,0,0,0,0|1,0,0]=2 782 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [1,0,0,0,0,0|1,0,0]=2 783 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [1,0,0,0,0,0|1,0,0]=2 784 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [1,0,0,0,0,0|1,0,0]=2 785 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [1,0,0,0,0,0|1,0,0]=2 786 B10R1.20 COc1cccnc1C#N 34a_100000722750_200000210301 [1,0,0,0,0,0|1,0,2]=4 787 B10R1.20 COc1cccnc1C#N 7a_100000722750_200000210301 [1,0,0,0,0,0|1,0,2]=4 788 B10R1.20 COc1cccnc1CBr 34a_200020655725_200000210301 [1,0,0,0,0,0|2,0,0]=3 789 B10R1.20 COc1cccnc1CBr 7a_200020655725_200000210301 [1,0,0,0,0,0|2,0,0]=3 790 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [1,0,0,0,0,0|2,0,0]=3 791 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [1,0,0,0,0,0|2,0,0]=3 792 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [1,0,0,0,0,0|2,0,0]=3 793 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [1,0,0,0,0,0|2,0,0]=3 794 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [1,0,0,0,0,0|2,0,0]=3 795 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [1,0,0,0,0,0|2,0,0]=3 796 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [1,0,0,0,0,0|2,0,0]=3 797 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [1,0,0,0,0,0|2,0,0]=3 798 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [1,0,0,0,0,0|2,0,0]=3 799 B10R1.20 COc1ccncc1OC 34a_100000101186_200000210301 [1,0,0,0,0,0|2,0,0]=3 800 B10R1.20 COc1ccncc1O[13CH3] 34a_100000101186_200025704644 [1,0,0,0,0,0|2,0,0]=3 801 B10R1.20 COc1ccncc1SC 62a_100011997281_200000210301 [1,0,0,0,0,0|2,0,0]=3 802 B10R1.20 COc1ccncc1SC 62a_200000210301_100011997281 [1,0,0,0,0,0|2,0,0]=3 803 B10R1.20 COc1ccncc1S[13CH3] 62a_100011997281_200025704644 [1,0,0,0,0,0|2,0,0]=3 804 B10R1.20 COc1ccncc1S[13CH3] 62a_200025704644_100011997281 [1,0,0,0,0,0|2,0,0]=3 805 B10R1.20 COc1cnccc1C#N 7a_100012181322_200000210301 [1,0,0,0,0,0|1,0,2]=4 806 B10R1.20 COc1cnccc1CO 34a_100000078615_200000210301 [1,0,0,0,0,0|2,0,0]=3 807 B10R1.20 COc1cnccc1SC 62a_100016988167_200000210301 [1,0,0,0,0,0|2,0,0]=3 808 B10R1.20 COc1cnccc1SC 62a_200000210301_100016988167 [1,0,0,0,0,0|2,0,0]=3 809 B10R1.20 COc1cnccc1S[13CH3] 62a_100016988167_200025704644 [1,0,0,0,0,0|2,0,0]=3 810 B10R1.20 COc1cnccc1S[13CH3] 62a_200025704644_100016988167 [1,0,0,0,0,0|2,0,0]=3 811 B10R1.20 COc1cncnc1SC 62a_100012001275_200000210301 [1,0,0,0,0,0|3,0,0]=4 812 B10R1.20 COc1cncnc1SC 62a_200000210301_100012001275 [1,0,0,0,0,0|3,0,0]=4 813 B10R1.20 COc1cncnc1S[13CH3] 62a_100012001275_200025704644 [1,0,0,0,0,0|3,0,0]=4 814 B10R1.20 COc1cncnc1S[13CH3] 62a_200025704644_100012001275 [1,0,0,0,0,0|3,0,0]=4 815 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [1,0,0,0,0,0|2,0,0]=3 816 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [1,0,0,0,0,0|2,0,0]=3 817 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [1,0,0,0,0,0|2,0,0]=3 818 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [1,0,0,0,0,0|2,0,0]=3 819 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [1,0,0,0,0,0|2,0,0]=3 820 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [1,0,0,0,0,0|2,0,0]=3 821 B10R1.20 COc1nccnc1SC 62a_100009858322_200000210301 [1,0,0,0,0,0|3,0,0]=4 822 B10R1.20 COc1nccnc1SC 62a_200000210301_100000749998 [1,0,0,0,0,0|3,0,0]=4 823 B10R1.20 COc1nccnc1S[13CH3] 62a_100009858322_200025704644 [1,0,0,0,0,0|3,0,0]=4 824 B10R1.20 COc1nccnc1S[13CH3] 62a_200025704644_100000749998 [1,0,0,0,0,0|3,0,0]=4 825 B10R1.20 COc1ncncc1SC 62a_100000719902_200000210301 [1,0,0,0,0,0|3,0,0]=4 826 B10R1.20 COc1ncncc1SC 62a_200000210301_100000719902 [1,0,0,0,0,0|3,0,0]=4 827 B10R1.20 COc1ncncc1S[13CH3] 62a_100000719902_200025704644 [1,0,0,0,0,0|3,0,0]=4 828 B10R1.20 COc1ncncc1S[13CH3] 62a_200025704644_100000719902 [1,0,0,0,0,0|3,0,0]=4 829 B10R1.20 CSc1ccccc1C#N 62a_200000210301_100000188569 [1,0,0,0,0,0|0,1,2]=4 830 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [1,0,0,0,0,0|1,1,1]=4 831 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [1,0,0,0,0,0|1,1,1]=4 832 B10R1.20 CSc1ccccc1CN 62a_100000689332_200000210301 [1,0,0,0,0,0|0,1,0]=2 833 B10R1.20 CSc1ccccc1CN 62a_200000210301_100000689332 [1,0,0,0,0,0|0,1,0]=2 834 B10R1.20 CSc1ccccc1CO 62a_100000187465_200000210301 [1,0,0,0,0,0|1,1,0]=3 835 B10R1.20 CSc1ccccc1CO 62a_200000210301_100000187465 [1,0,0,0,0,0|1,1,0]=3 836 B10R1.20 CSc1ccccc1NN 62a_100000241748_200000210301 [1,0,0,0,0,0|1,1,0]=3 837 B10R1.20 CSc1ccccc1NN 62a_200000210301_100000241748 [1,0,0,0,0,0|1,1,0]=3 838 B10R1.20 CSc1ccccc1N[13CH3] 34a_100000211160_200025704644 [1,0,0,0,0,0|1,1,0]=3 839 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [1,0,0,0,0,0|1,0,0]=2 840 B10R1.20 CSc1ccccc1SC 62a_100011217816_200000210301 [1,0,0,0,0,0|1,1,0]=3 841 B10R1.20 CSc1ccccc1SC 62a_200000210301_100011217816 [1,0,0,0,0,0|1,1,0]=3 842 B10R1.20 CSc1ccccc1S[13CH3] 62a_100011217816_200025704644 [1,0,0,0,0,0|1,1,0]=3 843 B10R1.20 CSc1ccccc1S[13CH3] 62a_200025704644_100011217816 [1,0,0,0,0,0|1,1,0]=3 844 B10R1.20 CSc1cccnc1CN 62a_100020591323_200000210301 [1,0,0,0,0,0|1,1,0]=3 845 B10R1.20 CSc1cccnc1CN 62a_200000210301_100020591323 [1,0,0,0,0,0|1,1,0]=3 846 B10R1.20 CSc1cccnc1CO 62a_100011996772_200000210301 [1,0,0,0,0,0|2,1,0]=4 847 B10R1.20 CSc1cccnc1CO 62a_200000210301_100011996772 [1,0,0,0,0,0|2,1,0]=4 848 B10R1.20 CSc1cccnc1NN 62a_100011464834_200000210301 [1,0,0,0,0,0|2,1,0]=4 849 B10R1.20 CSc1cccnc1NN 62a_200000210301_100011464834 [1,0,0,0,0,0|2,1,0]=4 850 B10R1.20 CSc1cccnc1SC 62a_100011465278_200000210301 [1,0,0,0,0,0|2,1,0]=4 851 B10R1.20 CSc1cccnc1SC 62a_200000210301_100011465278 [1,0,0,0,0,0|2,1,0]=4 852 B10R1.20 CSc1ccncc1CO 62a_100000117392_200000210301 [1,0,0,0,0,0|2,1,0]=4 853 B10R1.20 CSc1ccncc1CO 62a_200000210301_100000117392 [1,0,0,0,0,0|2,1,0]=4 854 B10R1.20 CSc1cnccc1CN 62a_100020640021_200000210301 [1,0,0,0,0,0|1,1,0]=3 855 B10R1.20 CSc1cnccc1CN 62a_200000210301_100020640021 [1,0,0,0,0,0|1,1,0]=3 856 B10R1.20 CSc1cnccc1CO 62a_100009873359_200000210301 [1,0,0,0,0,0|2,1,0]=4 857 B10R1.20 CSc1cnccc1CO 62a_200000210301_100009873359 [1,0,0,0,0,0|2,1,0]=4 858 B10R1.20 CSc1cnccc1NN 62a_100013404636_200000210301 [1,0,0,0,0,0|2,1,0]=4 859 B10R1.20 CSc1cnccc1NN 62a_200000210301_100013404636 [1,0,0,0,0,0|2,1,0]=4 860 B10R1.20 CSc1ncccc1CN 62a_100015189234_200000210301 [1,0,0,0,0,0|1,1,0]=3 861 B10R1.20 CSc1ncccc1CN 62a_200000210301_100015189234 [1,0,0,0,0,0|1,1,0]=3 862 B10R1.20 CSc1ncccc1CO 62a_100000748726_200000210301 [1,0,0,0,0,0|2,1,0]=4 863 B10R1.20 CSc1ncccc1CO 62a_200000210301_100000748726 [1,0,0,0,0,0|2,1,0]=4 864 B10R1.20 CSc1ncccc1S[13CH3] 62a_100011465278_200025704644 [1,0,0,0,0,0|2,1,0]=4 865 B10R1.20 CSc1ncccc1S[13CH3] 62a_200025704644_100011465278 [1,0,0,0,0,0|2,1,0]=4 866 B10R1.20 CSc1nccnc1CN 62a_100000729963_200000210301 [1,0,0,0,0,0|2,1,0]=4 867 B10R1.20 CSc1nccnc1CN 62a_200000210301_100000729963 [1,0,0,0,0,0|2,1,0]=4 868 B10R1.20 [13CH3]Nc1ccccc1C#N 34a_100000211148_200025704644 [1,0,0,0,0,0|1,0,2]=4 869 B10R1.20 [13CH3]Nc1ccccc1CO 34a_100000212039_200025704644 [1,0,0,0,0,0|2,0,0]=3 870 B10R1.20 [13CH3]Oc1ccccc1C#N 34a_100000211048_200025704644 [1,0,0,0,0,0|0,0,2]=3 871 B10R1.20 [13CH3]Oc1ccccc1C#N 7a_100000211048_200025704644 [1,0,0,0,0,0|0,0,2]=3 872 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [1,0,0,0,0,0|0,0,0]=1 873 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [1,0,0,0,0,0|1,0,0]=2 874 B10R1.20 [13CH3]Oc1cccnc1C#N 34a_100000722750_200025704644 [1,0,0,0,0,0|1,0,2]=4 875 B10R1.20 [13CH3]Oc1cccnc1C#N 7a_100000722750_200025704644 [1,0,0,0,0,0|1,0,2]=4 876 B10R1.20 [13CH3]Oc1cccnc1CBr 34a_200020655725_200025704644 [1,0,0,0,0,0|2,0,0]=3 877 B10R1.20 [13CH3]Oc1cccnc1CBr 7a_200020655725_200025704644 [1,0,0,0,0,0|2,0,0]=3 878 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [1,0,0,0,0,0|2,0,0]=3 879 B10R1.20 [13CH3]Oc1cnccc1C#N 7a_100012181322_200025704644 [1,0,0,0,0,0|1,0,2]=4 880 B10R1.20 [13CH3]Oc1cnccc1CO 34a_100000078615_200025704644 [1,0,0,0,0,0|2,0,0]=3 881 B10R1.20 [13CH3]Sc1ccccc1C#N 62a_200025704644_100000188569 [1,0,0,0,0,0|0,1,2]=4 882 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [1,0,0,0,0,0|1,1,1]=4 883 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [1,0,0,0,0,0|1,1,1]=4 884 B10R1.20 [13CH3]Sc1ccccc1CN 62a_100000689332_200025704644 [1,0,0,0,0,0|0,1,0]=2 885 B10R1.20 [13CH3]Sc1ccccc1CN 62a_200025704644_100000689332 [1,0,0,0,0,0|0,1,0]=2 886 B10R1.20 [13CH3]Sc1ccccc1CO 62a_100000187465_200025704644 [1,0,0,0,0,0|1,1,0]=3 887 B10R1.20 [13CH3]Sc1ccccc1CO 62a_200025704644_100000187465 [1,0,0,0,0,0|1,1,0]=3 888 B10R1.20 [13CH3]Sc1ccccc1NN 62a_100000241748_200025704644 [1,0,0,0,0,0|1,1,0]=3 889 B10R1.20 [13CH3]Sc1ccccc1NN 62a_200025704644_100000241748 [1,0,0,0,0,0|1,1,0]=3 890 B10R1.20 [13CH3]Sc1cccnc1CN 62a_100020591323_200025704644 [1,0,0,0,0,0|1,1,0]=3 891 B10R1.20 [13CH3]Sc1cccnc1CN 62a_200025704644_100020591323 [1,0,0,0,0,0|1,1,0]=3 892 B10R1.20 [13CH3]Sc1cccnc1CO 62a_100011996772_200025704644 [1,0,0,0,0,0|2,1,0]=4 893 B10R1.20 [13CH3]Sc1cccnc1CO 62a_200025704644_100011996772 [1,0,0,0,0,0|2,1,0]=4 894 B10R1.20 [13CH3]Sc1cccnc1NN 62a_100011464834_200025704644 [1,0,0,0,0,0|2,1,0]=4 895 B10R1.20 [13CH3]Sc1cccnc1NN 62a_200025704644_100011464834 [1,0,0,0,0,0|2,1,0]=4 896 B10R1.20 [13CH3]Sc1ccncc1CO 62a_100000117392_200025704644 [1,0,0,0,0,0|2,1,0]=4 897 B10R1.20 [13CH3]Sc1ccncc1CO 62a_200025704644_100000117392 [1,0,0,0,0,0|2,1,0]=4 898 B10R1.20 [13CH3]Sc1cnccc1CN 62a_100020640021_200025704644 [1,0,0,0,0,0|1,1,0]=3 899 B10R1.20 [13CH3]Sc1cnccc1CN 62a_200025704644_100020640021 [1,0,0,0,0,0|1,1,0]=3 900 B10R1.20 [13CH3]Sc1cnccc1CO 62a_100009873359_200025704644 [1,0,0,0,0,0|2,1,0]=4 901 B10R1.20 [13CH3]Sc1cnccc1CO 62a_200025704644_100009873359 [1,0,0,0,0,0|2,1,0]=4 902 B10R1.20 [13CH3]Sc1cnccc1NN 62a_100013404636_200025704644 [1,0,0,0,0,0|2,1,0]=4 903 B10R1.20 [13CH3]Sc1cnccc1NN 62a_200025704644_100013404636 [1,0,0,0,0,0|2,1,0]=4 904 B10R1.20 [13CH3]Sc1ncccc1CN 62a_100015189234_200025704644 [1,0,0,0,0,0|1,1,0]=3 905 B10R1.20 [13CH3]Sc1ncccc1CN 62a_200025704644_100015189234 [1,0,0,0,0,0|1,1,0]=3 906 B10R1.20 [13CH3]Sc1ncccc1CO 62a_100000748726_200025704644 [1,0,0,0,0,0|2,1,0]=4 907 B10R1.20 [13CH3]Sc1ncccc1CO 62a_200025704644_100000748726 [1,0,0,0,0,0|2,1,0]=4 908 B10R1.20 [13CH3]Sc1nccnc1CN 62a_100000729963_200025704644 [1,0,0,0,0,0|2,1,0]=4 909 B10R1.20 [13CH3]Sc1nccnc1CN 62a_200025704644_100000729963 [1,0,0,0,0,0|2,1,0]=4 910 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,1,0,0,0,0|1,0,2]=4 911 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,1,0,0,0,0|1,1,1]=4 912 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,1,0,0,0,0|1,1,1]=4 913 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,1,0,0,0,0|2,0,1]=4 914 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,1,0,0,0,0|2,0,1]=4 915 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_100000219599_200025704644 [0,1,0,0,0,0|2,1,0]=4 916 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_200025704644_100000219599 [0,1,0,0,0,0|2,1,0]=4 917 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [0,1,0,0,0,0|2,0,0]=3 920 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [0,1,0,0,0,0|2,0,0]=3 921 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [0,1,0,0,0,0|2,1,0]=4 922 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [0,1,0,0,0,0|2,1,0]=4 923 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 2230a_100000688217_200025704644 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 34a_100000688217_200025704644 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.75 CCc1ccccc1CN(C)C 270004a_100102631434_100011219594 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.75 CCc1ccccc1NC(C)C 2230a_100000212081_100000210206 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.75 CCc1ccccc1NC(C)C 34a_100000212081_100000210206 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.75 CCc1ccccc1NC(C)C 7a_100000212081_100000210206 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.75 CCc1ccccc1SC(C)C 62a_100000210206_100011215823 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.75 CCc1ccccc1SC(C)C 62a_100011215823_100000210206 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_100000174758_200025704644 [0,1,0,0,0,0|2,1,0]=4 934 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_200025704644_100000174758 [0,1,0,0,0,0|2,1,0]=4 935 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [0,1,0,0,0,0|3,0,0]=4 937 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [0,1,0,0,0,0|3,0,0]=4 938 B12R1.75 CNc1ccccc1OC(F)F 2230a_100000182466_200000210301 [0,1,0,0,0,0|3,0,0]=4 939 B12R1.75 CNc1ccccc1OC(F)F 34a_100000182466_200000210301 [0,1,0,0,0,0|3,0,0]=4 940 B12R1.75 CNc1ccccc1SC(C)C 2230a_100000688217_200000210301 [0,1,0,0,0,0|3,0,0]=4 941 B12R1.75 CNc1ccccc1SC(C)C 34a_100000688217_200000210301 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.75 CNc1ccccc1SC(C)C 62a_100000210206_100020606079 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.75 CNc1ccccc1SC(C)C 62a_100020606079_100000210206 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [0,1,0,0,0,0|1,0,2]=4 945 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,1,0,0,0,0|1,0,1]=3 946 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,1,0,0,0,0|1,0,1]=3 947 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,1,0,0,0,0|1,0,1]=3 948 B12R1.75 COc1ccccc1CN(C)C 2230a_100000184376_200000210301 [0,1,0,0,0,0|2,0,0]=3 949 B12R1.75 COc1ccccc1CN(C)C 2230a_100102631434_100000210004 [0,1,0,0,0,0|2,0,0]=3 950 B12R1.75 COc1ccccc1CN(C)C 269982a_100000184376_200000210301 [0,1,0,0,0,0|2,0,0]=3 951 B12R1.75 COc1ccccc1CN(C)C 269982a_100102631434_100000210004 [0,1,0,0,0,0|2,0,0]=3 952 B12R1.75 COc1ccccc1CN(C)C 270004a_100102631434_100000169842 [0,1,0,0,0,0|2,0,0]=3 953 B12R1.75 COc1ccccc1CN(C)[13CH3] 2230a_100000184376_200025704644 [0,1,0,0,0,0|2,0,0]=3 954 B12R1.75 COc1ccccc1CN(C)[13CH3] 269982a_100000184376_200025704644 [0,1,0,0,0,0|2,0,0]=3 955 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,1,0,0,0,0|2,0,1]=4 956 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,1,0,0,0,0|2,0,1]=4 957 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,1,0,0,0,0|2,0,1]=4 958 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,1,0,0,0,0|2,0,1]=4 959 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,1,0,0,0,0|2,0,1]=4 960 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,1,0,0,0,0|2,0,1]=4 961 B12R1.75 COc1ccccc1NC(=S)N 7a_200000011649_200000210301 [0,1,0,0,0,0|1,0,1]=3 962 B12R1.75 COc1ccccc1NC(C)C 34a_100000210025_100000210206 [0,1,0,0,0,0|2,0,0]=3 963 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [0,1,0,0,0,0|2,0,0]=3 964 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [0,1,0,0,0,0|2,0,0]=3 965 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [0,1,0,0,0,0|2,0,0]=3 966 B12R1.75 COc1ccccc1OC(F)F 34a_100000752575_200000210301 [0,1,0,0,0,0|2,0,0]=3 967 B12R1.75 COc1ccccc1OC(F)F 7a_100000752575_200000210301 [0,1,0,0,0,0|2,0,0]=3 968 B12R1.75 COc1ccccc1SC(C)C 62a_100000210206_100000210334 [0,1,0,0,0,0|2,0,0]=3 969 B12R1.75 COc1ccccc1SC(C)C 62a_100000210334_100000210206 [0,1,0,0,0,0|2,0,0]=3 970 B12R1.75 COc1cccnc1CN(C)C 270004a_100102631434_100011912573 [0,1,0,0,0,0|3,0,0]=4 971 B12R1.75 COc1cccnc1OC(C)C 34a_100025773188_100000210206 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.75 COc1cccnc1SC(C)C 62a_100000210206_100000690851 [0,1,0,0,0,0|3,0,0]=4 973 B12R1.75 COc1cccnc1SC(C)C 62a_100000767102_100000210206 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.75 COc1ccncc1CN(C)C 270004a_100102631434_200011997045 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.75 COc1ccncc1OC(C)C 34a_100000101186_100000210206 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.75 COc1ccncc1SC(C)C 62a_100000210206_100011997281 [0,1,0,0,0,0|3,0,0]=4 977 B12R1.75 COc1ccncc1SC(C)C 62a_100011997281_100000210206 [0,1,0,0,0,0|3,0,0]=4 978 B12R1.75 COc1cnccc1CC(=O)C 1458a_100000070787_100020635607 [0,1,0,0,0,0|2,0,1]=4 979 B12R1.75 COc1cnccc1CN(C)C 2230a_100102631434_100020635607 [0,1,0,0,0,0|3,0,0]=4 980 B12R1.75 COc1cnccc1CN(C)C 270004a_100102631434_100011361505 [0,1,0,0,0,0|3,0,0]=4 981 B12R1.75 COc1cnccc1SC(C)C 62a_100000210206_100016988167 [0,1,0,0,0,0|3,0,0]=4 982 B12R1.75 COc1cnccc1SC(C)C 62a_100016988167_100000210206 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,1,0,0,0,0|2,0,1]=4 984 B12R1.75 COc1ncccc1CN(C)C 2230a_100102631434_100020631285 [0,1,0,0,0,0|3,0,0]=4 985 B12R1.75 COc1ncccc1CN(C)C 270004a_100102631434_100011290804 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.75 COc1ncccc1OC(C)C 34a_100000698397_100000210206 [0,1,0,0,0,0|3,0,0]=4 987 B12R1.75 COc1ncccc1OC(C)C 7a_100000698397_100000210206 [0,1,0,0,0,0|3,0,0]=4 988 B12R1.75 COc1ncccc1SC(C)C 62a_100000047025_100000210206 [0,1,0,0,0,0|3,0,0]=4 989 B12R1.75 COc1ncccc1SC(C)C 62a_100000210206_100000047025 [0,1,0,0,0,0|3,0,0]=4 990 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,1,0,0,0,0|1,1,1]=4 991 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,1,0,0,0,0|1,1,1]=4 992 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,1,0,0,0,0|1,1,1]=4 993 B12R1.75 CSc1ccccc1CC(=O)N 62a_200000210301_200009814924 [0,1,0,0,0,0|0,1,1]=3 994 B12R1.75 CSc1ccccc1CC(=O)N 62a_200009814924_200000210301 [0,1,0,0,0,0|0,1,1]=3 995 B12R1.75 CSc1ccccc1CN(C)C 2230a_100102631434_100000699184 [0,1,0,0,0,0|2,1,0]=4 996 B12R1.75 CSc1ccccc1CN(C)C 269982a_100102631434_100000699184 [0,1,0,0,0,0|2,1,0]=4 997 B12R1.75 CSc1ccccc1CN(C)C 270004a_100102631434_100011217347 [0,1,0,0,0,0|2,1,0]=4 998 B12R1.75 CSc1ccccc1CN(C)C 62a_100000174758_200000210301 [0,1,0,0,0,0|2,1,0]=4 999 B12R1.75 CSc1ccccc1CN(C)C 62a_200000210301_100000174758 [0,1,0,0,0,0|2,1,0]=4 1000 B12R1.75 CSc1ccccc1NC(=O)N 62a_200000210301_100000742221 [0,1,0,0,0,0|1,1,1]=4 1001 B12R1.75 CSc1ccccc1NC(C)C 34a_100000211160_100000210206 [0,1,0,0,0,0|2,1,0]=4 1002 B12R1.75 CSc1ccccc1NC(C)C 62a_100000219599_200000210301 [0,1,0,0,0,0|2,1,0]=4 1003 B12R1.75 CSc1ccccc1NC(C)C 62a_200000210301_100000219599 [0,1,0,0,0,0|2,1,0]=4 1004 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [0,1,0,0,0,0|2,1,0]=4 1005 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [0,1,0,0,0,0|2,1,0]=4 1006 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [0,1,0,0,0,0|2,1,0]=4 1007 B12R1.75 CSc1ccccc1OC(F)F 62a_100011263859_200000210301 [0,1,0,0,0,0|2,1,0]=4 1008 B12R1.75 CSc1ccccc1OC(F)F 62a_200000210301_100011263859 [0,1,0,0,0,0|2,1,0]=4 1009 B12R1.75 CSc1ccccc1SC(C)C 62a_100000210206_100011217816 [0,1,0,0,0,0|2,1,0]=4 1010 B12R1.75 CSc1ccccc1SC(C)C 62a_100011217816_100000210206 [0,1,0,0,0,0|2,1,0]=4 1011 B12R1.75 [13CH3]Nc1ccccc1OC(F)F 2230a_100000182466_200025704644 [0,1,0,0,0,0|3,0,0]=4 1012 B12R1.75 [13CH3]Nc1ccccc1OC(F)F 34a_100000182466_200025704644 [0,1,0,0,0,0|3,0,0]=4 1013 B12R1.75 [13CH3]Oc1ccccc1NC(=S)N 7a_200000011649_200025704644 [0,1,0,0,0,0|1,0,1]=3 1014 B12R1.75 [13CH3]Oc1ccccc1OC(F)F 34a_100000752575_200025704644 [0,1,0,0,0,0|2,0,0]=3 1015 B12R1.75 [13CH3]Oc1ccccc1OC(F)F 7a_100000752575_200025704644 [0,1,0,0,0,0|2,0,0]=3 1016 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200009814924_200025704644 [0,1,0,0,0,0|0,1,1]=3 1017 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200025704644_200009814924 [0,1,0,0,0,0|0,1,1]=3 1018 B12R1.75 [13CH3]Sc1ccccc1NC(=O)N 62a_200025704644_100000742221 [0,1,0,0,0,0|1,1,1]=4 1019 B12R1.75 [13CH3]Sc1ccccc1OC(F)F 62a_100011263859_200025704644 [0,1,0,0,0,0|2,1,0]=4 1020 B12R1.75 [13CH3]Sc1ccccc1OC(F)F 62a_200025704644_100011263859 [0,1,0,0,0,0|2,1,0]=4 1021 B12R1.77 C=Cc1ccccc1C(O)CN 271570a_100011290941_100011236429 [0,1,0,0,0,0|1,0,1]=3 1022 B12R1.77 C=Cc1ccccc1[C@H](N)CO 271570a_100011290941_100161155918 [0,1,0,0,0,0|2,0,1]=4 1023 B12R1.77 CC(=NO)c1ccccc1O[13CH3] 34a_100000164216_200025704644 [0,1,0,0,0,0|2,0,1]=4 1024 B12R1.77 CC(C#N)c1ccccc1S[13CH3] 62a_200010232107_200025704644 [0,1,0,0,0,0|0,1,2]=4 1025 B12R1.77 CC(C#N)c1ccccc1S[13CH3] 62a_200025704644_200010232107 [0,1,0,0,0,0|0,1,2]=4 1026 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,1,0,0,0,0|2,0,1]=4 1027 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,1,0,0,0,0|1,0,1]=3 1028 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,1,0,0,0,0|1,0,1]=3 1029 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,1,0,0,0,0|1,0,1]=3 1030 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,1,0,0,0,0|1,1,1]=4 1031 B12R1.77 CCC(C)c1ccccc1NC 2230a_200000211393_200000210301 [0,1,0,0,0,0|2,0,0]=3 1032 B12R1.77 CCC(C)c1ccccc1NC 7a_200000211393_200000210301 [0,1,0,0,0,0|2,0,0]=3 1033 B12R1.77 CCC(C)c1ccccc1N[13CH3] 2230a_200000211393_200025704644 [0,1,0,0,0,0|2,0,0]=3 1034 B12R1.77 CCC(C)c1ccccc1N[13CH3] 7a_200000211393_200025704644 [0,1,0,0,0,0|2,0,0]=3 1035 B12R1.77 CCC(C)c1ccccc1OC 7a_100000211618_200000210301 [0,1,0,0,0,0|1,0,0]=2 1036 B12R1.77 CCC(C)c1ccccc1O[13CH3] 7a_100000211618_200025704644 [0,1,0,0,0,0|1,0,0]=2 1037 B12R1.77 CCN(C)c1ccccc1OC 2230a_100000219746_100000210202 [0,1,0,0,0,0|2,0,0]=3 1038 B12R1.77 CCN(C)c1ccccc1OC 2230a_100020603010_200000210301 [0,1,0,0,0,0|2,0,0]=3 1039 B12R1.77 CCN(C)c1ccccc1OC 269982a_100000219746_100000204670 [0,1,0,0,0,0|2,0,0]=3 1040 B12R1.77 CCN(C)c1ccccc1OC 269982a_100020603010_200000210301 [0,1,0,0,0,0|2,0,0]=3 1041 B12R1.77 CCN(C)c1ccccc1OC 34a_100000219746_100000210202 [0,1,0,0,0,0|2,0,0]=3 1042 B12R1.77 CCN([13CH3])c1ccccc1OC 2230a_100020603010_200025704644 [0,1,0,0,0,0|2,0,0]=3 1043 B12R1.77 CCN([13CH3])c1ccccc1OC 269982a_100020603010_200025704644 [0,1,0,0,0,0|2,0,0]=3 1044 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [0,1,0,0,0,0|2,0,1]=4 1045 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,1,0,0,0,0|2,0,1]=4 1046 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,1,0,0,0,0|2,0,1]=4 1047 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,1,0,0,0,0|2,0,1]=4 1048 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,1,0,0,0,0|2,0,1]=4 1049 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,1,0,0,0,0|2,0,1]=4 1050 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,1,0,0,0,0|2,0,1]=4 1051 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,1,0,0,0,0|2,0,1]=4 1052 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,1,0,0,0,0|2,0,1]=4 1053 B12R1.77 CNC(C)c1ccccc1OC 2230a_100000185323_200000210301 [0,1,0,0,0,0|2,0,0]=3 1054 B12R1.77 CNC(C)c1ccccc1OC 269862a_106832991636_100000173324 [0,1,0,0,0,0|2,0,0]=3 1055 B12R1.77 CNC(C)c1ccccc1SC 62a_100000692418_200000210301 [0,1,0,0,0,0|2,1,0]=4 1056 B12R1.77 CNC(C)c1ccccc1SC 62a_200000210301_100000692418 [0,1,0,0,0,0|2,1,0]=4 1057 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_100000692418_200025704644 [0,1,0,0,0,0|2,1,0]=4 1058 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_200025704644_100000692418 [0,1,0,0,0,0|2,1,0]=4 1059 B12R1.77 CNC(C)c1cccnc1OC 269862a_106832991636_100012184464 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.77 CNC(C)c1ncccc1OC 269862a_106832991636_100012185210 [0,1,0,0,0,0|3,0,0]=4 1061 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,1,0,0,0,0|2,0,1]=4 1062 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,1,0,0,0,0|2,0,1]=4 1063 B12R1.77 COc1ccccc1C(=NO)C 34a_100000164216_200000210301 [0,1,0,0,0,0|2,0,1]=4 1064 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,1,0,0,0,0|1,0,1]=3 1065 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,1,0,0,0,0|1,0,1]=3 1066 B12R1.77 COc1ccccc1C(=O)NN 34a_100000186518_200000210301 [0,1,0,0,0,0|1,0,1]=3 1067 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [0,1,0,0,0,0|2,0,1]=4 1068 B12R1.77 COc1ccccc1C(C)N[13CH3] 2230a_100000185323_200025704644 [0,1,0,0,0,0|2,0,0]=3 1069 B12R1.77 COc1ccccc1C(C)OC 7a_100000742714_200000210301 [0,1,0,0,0,0|2,0,0]=3 1070 B12R1.77 COc1ccccc1C(C)O[13CH3] 7a_100000742714_200025704644 [0,1,0,0,0,0|2,0,0]=3 1071 B12R1.77 COc1ccccc1N(C)CF 269982a_100000219746_100015361967 [0,1,0,0,0,0|2,0,0]=3 1072 B12R1.77 COc1ccccc1N(C)CF 34a_100000219746_100015361967 [0,1,0,0,0,0|2,0,0]=3 1073 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [0,1,0,0,0,0|1,1,1]=4 1074 B12R1.77 CSc1ccccc1C(=O)NN 62a_100000190081_200000210301 [0,1,0,0,0,0|1,1,1]=4 1075 B12R1.77 CSc1ccccc1C(=O)NN 62a_200000210301_100000190081 [0,1,0,0,0,0|1,1,1]=4 1076 B12R1.77 CSc1ccccc1C(C)C#N 62a_200000210301_200010232107 [0,1,0,0,0,0|0,1,2]=4 1077 B12R1.77 CSc1ccccc1C(C)C#N 62a_200010232107_200000210301 [0,1,0,0,0,0|0,1,2]=4 1078 B12R1.77 CSc1ccccc1C(O)CN 62a_100011236429_200000210301 [0,1,0,0,0,0|0,1,0]=2 1079 B12R1.77 CSc1ccccc1C(O)CN 62a_200000210301_100011236429 [0,1,0,0,0,0|0,1,0]=2 1080 B12R1.77 CSc1ccccc1[C@H](N)CO 62a_100161155918_200000210301 [0,1,0,0,0,0|1,1,0]=3 1081 B12R1.77 CSc1ccccc1[C@H](N)CO 62a_200000210301_100161155918 [0,1,0,0,0,0|1,1,0]=3 1082 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,1,0,0,0,0|1,0,1]=3 1083 B12R1.77 [13CH3]Oc1ccccc1C(=O)NN 34a_100000186518_200025704644 [0,1,0,0,0,0|1,0,1]=3 1084 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [0,1,0,0,0,0|2,0,1]=4 1085 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_100000190081_200025704644 [0,1,0,0,0,0|1,1,1]=4 1086 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_200025704644_100000190081 [0,1,0,0,0,0|1,1,1]=4 1087 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_100011236429_200025704644 [0,1,0,0,0,0|0,1,0]=2 1088 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_200025704644_100011236429 [0,1,0,0,0,0|0,1,0]=2 1089 B12R1.77 [13CH3]Sc1ccccc1[C@H](N)CO 62a_100161155918_200025704644 [0,1,0,0,0,0|1,1,0]=3 1090 B12R1.77 [13CH3]Sc1ccccc1[C@H](N)CO 62a_200025704644_100161155918 [0,1,0,0,0,0|1,1,0]=3 1091 B12R1.112 C=C=Cc1ccc(cc1OC)Br 271570a_100015277604_100010245111 [0,1,0,0,0,0|1,0,2]=4 1092 B12R1.112 C=C=Cc1ccc(cc1OC)C 271570a_100015277604_100010200004 [0,1,0,0,0,0|1,0,2]=4 1093 B12R1.112 C=C=Cc1ccc(cc1OC)Cl 271570a_100015277604_100000050115 [0,1,0,0,0,0|1,0,2]=4 1094 B12R1.112 C=C=Cc1ccc(cc1OC)F 271570a_100015277604_100000757151 [0,1,0,0,0,0|1,0,2]=4 1095 B12R1.112 C=C=Cc1ccc(cc1OC)N 271570a_100015277604_100000765947 [0,1,0,0,0,0|1,0,2]=4 1096 B12R1.112 C=C=Cc1ccc(cc1OC)O 271570a_100015277604_100011827694 [0,1,0,0,0,0|1,0,2]=4 1097 B12R1.112 CC=Cc1ccc(cc1OC)Br 271570a_100016259895_100010245111 [0,1,0,0,0,0|1,0,2]=4 1098 B12R1.112 CC=Cc1ccc(cc1OC)C 271570a_100016259895_100010200004 [0,1,0,0,0,0|1,0,2]=4 1099 B12R1.112 CC=Cc1ccc(cc1OC)Cl 271570a_100016259895_100000050115 [0,1,0,0,0,0|1,0,2]=4 1100 B12R1.112 CC=Cc1ccc(cc1OC)F 271570a_100016259895_100000757151 [0,1,0,0,0,0|1,0,2]=4 1101 B12R1.112 CC=Cc1ccc(cc1OC)N 271570a_100016259895_100000765947 [0,1,0,0,0,0|1,0,2]=4 1102 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [0,1,0,0,0,0|1,0,2]=4 1103 B12R1.112 CCNc1ccc(cc1CC)Br 2230a_100000686106_100000210202 [0,1,0,0,0,0|3,0,0]=4 1104 B12R1.112 CCNc1ccc(cc1CC)Br 34a_100000686106_100000210202 [0,1,0,0,0,0|3,0,0]=4 1105 B12R1.112 CCNc1ccc(cc1CC)Br 7a_100000686106_100000210202 [0,1,0,0,0,0|3,0,0]=4 1106 B12R1.112 CCNc1ccc(cc1CC)Cl 2230a_100012017146_100000210202 [0,1,0,0,0,0|3,0,0]=4 1107 B12R1.112 CCNc1ccc(cc1CC)Cl 34a_100012017146_100000210202 [0,1,0,0,0,0|3,0,0]=4 1108 B12R1.112 CCNc1ccc(cc1CC)Cl 7a_100012017146_100000210202 [0,1,0,0,0,0|3,0,0]=4 1109 B12R1.112 CCNc1ccc(cc1CC)I 2230a_100000014069_100000210202 [0,1,0,0,0,0|3,0,0]=4 1110 B12R1.112 CCNc1ccc(cc1CC)I 34a_100000014069_100000210202 [0,1,0,0,0,0|3,0,0]=4 1111 B12R1.112 CCNc1ccc(cc1CC)I 7a_100000014069_100000210202 [0,1,0,0,0,0|3,0,0]=4 1112 B12R1.112 CCNc1ccc(cc1OC)Br 34a_100011279103_100000210202 [0,1,0,0,0,0|2,0,0]=3 1113 B12R1.112 CCNc1ccc(cc1OC)C 2230a_100000746441_100000210202 [0,1,0,0,0,0|2,0,0]=3 1114 B12R1.112 CCNc1ccc(cc1OC)C 34a_100000746441_100000210202 [0,1,0,0,0,0|2,0,0]=3 1115 B12R1.112 CCNc1ccc(cc1OC)Cl 34a_100000707585_100000210202 [0,1,0,0,0,0|2,0,0]=3 1116 B12R1.112 CCNc1ccc(cc1OC)F 34a_100000737216_100000210202 [0,1,0,0,0,0|2,0,0]=3 1117 B12R1.112 CCNc1ccc(cc1OC)I 34a_100015196925_100000210202 [0,1,0,0,0,0|2,0,0]=3 1118 B12R1.112 CCNc1ccc(cc1OC)O 34a_100015326901_100000210202 [0,1,0,0,0,0|2,0,0]=3 1119 B12R1.112 CCOc1ccc(cc1CC)Br 34a_100012338938_100000210202 [0,1,0,0,0,0|3,0,0]=4 1120 B12R1.112 CCOc1ccc(cc1CC)Br 7a_100012338938_100000210202 [0,1,0,0,0,0|3,0,0]=4 1121 B12R1.112 CCOc1ccc(cc1CC)C 34a_100009844793_100000210202 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.112 CCOc1ccc(cc1CC)C 7a_100009844793_100000210202 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.112 CCOc1ccc(cc1CC)F 34a_200000035566_100000210202 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.112 CCOc1ccc(cc1CC)F 7a_200000035566_100000210202 [0,1,0,0,0,0|3,0,0]=4 1125 B12R1.112 CCOc1ccc(cc1CC)O 271570a_203496583355_200010070707 [0,1,0,0,0,0|3,0,0]=4 1126 B12R1.112 CCOc1ccc(cc1NC)Br 2230a_100000751366_200000210301 [0,1,0,0,0,0|3,0,0]=4 1127 B12R1.112 CCOc1ccc(cc1NC)Br 34a_100000751366_200000210301 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.112 CCOc1ccc(cc1NC)C 2230a_100011202655_200000210301 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.112 CCOc1ccc(cc1NC)C 34a_100011202655_200000210301 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.112 CCOc1ccc(cc1NC)Cl 2230a_100000742605_200000210301 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.112 CCOc1ccc(cc1NC)Cl 34a_100000742605_200000210301 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 2230a_100000751366_200025704644 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 34a_100000751366_200025704644 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.112 CCOc1ccc(cc1N[13CH3])C 2230a_100011202655_200025704644 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.112 CCOc1ccc(cc1N[13CH3])C 34a_100011202655_200025704644 [0,1,0,0,0,0|3,0,0]=4 1136 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 2230a_100000742605_200025704644 [0,1,0,0,0,0|3,0,0]=4 1137 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 34a_100000742605_200025704644 [0,1,0,0,0,0|3,0,0]=4 1138 B12R1.112 CCOc1ccc(cc1OC)Br 34a_100000694246_100000210202 [0,1,0,0,0,0|2,0,0]=3 1139 B12R1.112 CCOc1ccc(cc1OC)Br 7a_100000694246_100000210202 [0,1,0,0,0,0|2,0,0]=3 1140 B12R1.112 CCOc1ccc(cc1OC)C 34a_100000186466_100000210202 [0,1,0,0,0,0|2,0,0]=3 1141 B12R1.112 CCOc1ccc(cc1OC)Cl 34a_100000033002_100000210202 [0,1,0,0,0,0|2,0,0]=3 1142 B12R1.112 CCOc1ccc(cc1OC)F 34a_100000036057_100000210202 [0,1,0,0,0,0|2,0,0]=3 1143 B12R1.112 CCOc1ccc(cc1OC)F 7a_100000036057_100000210202 [0,1,0,0,0,0|2,0,0]=3 1144 B12R1.112 CCOc1ccc(cc1OC)I 34a_100000049635_100000210202 [0,1,0,0,0,0|2,0,0]=3 1145 B12R1.112 CCOc1ccc(cc1OC)N 34a_100000726020_100000210202 [0,1,0,0,0,0|2,0,0]=3 1146 B12R1.112 CCOc1ccc(cc1OC)O 271570a_203496583355_200012344064 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000210301_200000230997 [0,1,0,0,0,0|2,1,0]=4 1148 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000230997_200000210301 [0,1,0,0,0,0|2,1,0]=4 1149 B12R1.112 CCOc1ccc(cc1SC)F 62a_100000171695_200000210301 [0,1,0,0,0,0|2,1,0]=4 1150 B12R1.112 CCOc1ccc(cc1SC)F 62a_200000210301_100000171695 [0,1,0,0,0,0|2,1,0]=4 1151 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200000230997_200025704644 [0,1,0,0,0,0|2,1,0]=4 1152 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200025704644_200000230997 [0,1,0,0,0,0|2,1,0]=4 1153 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_100000171695_200025704644 [0,1,0,0,0,0|2,1,0]=4 1154 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_200025704644_100000171695 [0,1,0,0,0,0|2,1,0]=4 1155 B12R1.112 CCOc1ccc(nc1OC)Br 34a_100010893133_100000210202 [0,1,0,0,0,0|3,0,0]=4 1156 B12R1.112 CCOc1ncc(cc1OC)Cl 34a_200009845368_100000210202 [0,1,0,0,0,0|3,0,0]=4 1157 B12R1.112 CCOc1ncc(cc1OC)O 271570a_203496583355_200010116856 [0,1,0,0,0,0|3,0,0]=4 1158 B12R1.112 CCSc1ccc(cc1CC)Br 62a_100000210202_100011216195 [0,1,0,0,0,0|3,0,0]=4 1159 B12R1.112 CCSc1ccc(cc1CC)Br 62a_100011216195_100000210202 [0,1,0,0,0,0|3,0,0]=4 1160 B12R1.112 CCSc1ccc(cc1CC)N 62a_100000210202_100010109747 [0,1,0,0,0,0|3,0,0]=4 1161 B12R1.112 CCSc1ccc(cc1CC)N 62a_100010109747_100000210202 [0,1,0,0,0,0|3,0,0]=4 1162 B12R1.112 CCSc1ccc(cc1NC)Cl 34a_100000752208_200000210301 [0,1,0,0,0,0|3,0,0]=4 1163 B12R1.112 CCSc1ccc(cc1NC)F 62a_100000210202_100020633008 [0,1,0,0,0,0|3,0,0]=4 1164 B12R1.112 CCSc1ccc(cc1NC)F 62a_100020633008_100000210202 [0,1,0,0,0,0|3,0,0]=4 1165 B12R1.112 CCSc1ccc(cc1N[13CH3])Cl 34a_100000752208_200025704644 [0,1,0,0,0,0|3,0,0]=4 1166 B12R1.112 CCSc1ccc(cc1OC)Br 62a_100000210202_100010245111 [0,1,0,0,0,0|2,0,0]=3 1167 B12R1.112 CCSc1ccc(cc1OC)Br 62a_100010245111_100000210202 [0,1,0,0,0,0|2,0,0]=3 1168 B12R1.112 CCSc1ccc(cc1OC)C 62a_100000210202_100010200004 [0,1,0,0,0,0|2,0,0]=3 1169 B12R1.112 CCSc1ccc(cc1OC)C 62a_100010200004_100000210202 [0,1,0,0,0,0|2,0,0]=3 1170 B12R1.112 CCSc1ccc(cc1OC)Cl 62a_100000050115_100000210202 [0,1,0,0,0,0|2,0,0]=3 1171 B12R1.112 CCSc1ccc(cc1OC)Cl 62a_100000210202_100000050115 [0,1,0,0,0,0|2,0,0]=3 1172 B12R1.112 CCSc1ccc(cc1OC)F 62a_100000210202_100000757151 [0,1,0,0,0,0|2,0,0]=3 1173 B12R1.112 CCSc1ccc(cc1OC)F 62a_100000757151_100000210202 [0,1,0,0,0,0|2,0,0]=3 1174 B12R1.112 CCSc1ccc(cc1OC)N 62a_100000210202_100000765947 [0,1,0,0,0,0|2,0,0]=3 1175 B12R1.112 CCSc1ccc(cc1OC)N 62a_100000765947_100000210202 [0,1,0,0,0,0|2,0,0]=3 1176 B12R1.112 CCSc1ccc(cc1OC)O 62a_100000210202_100011827694 [0,1,0,0,0,0|2,0,0]=3 1177 B12R1.112 CCSc1ccc(cc1SC)C 62a_100000210202_200010709736 [0,1,0,0,0,0|2,1,0]=4 1178 B12R1.112 CCSc1ccc(cc1SC)C 62a_200010709736_100000210202 [0,1,0,0,0,0|2,1,0]=4 1179 B12R1.112 CCSc1ccc(nc1OC)C 62a_100000210202_100010138632 [0,1,0,0,0,0|3,0,0]=4 1180 B12R1.112 CCSc1ccc(nc1OC)C 62a_100010138632_100000210202 [0,1,0,0,0,0|3,0,0]=4 1181 B12R1.112 CCSc1ccc(nc1OC)N 62a_100000210202_100010187630 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.112 CCSc1ccc(nc1OC)N 62a_100010187630_100000210202 [0,1,0,0,0,0|3,0,0]=4 1183 B12R1.112 CCSc1cnc(cc1OC)C 62a_100000210202_100000717771 [0,1,0,0,0,0|3,0,0]=4 1184 B12R1.112 CCSc1cnc(cc1OC)C 62a_100000717771_100000210202 [0,1,0,0,0,0|3,0,0]=4 1185 B12R1.112 CCSc1cnc(cc1OC)Cl 62a_100000210202_100010154656 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.112 CCSc1cnc(cc1OC)Cl 62a_100010154656_100000210202 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.112 CCSc1cnc(cc1OC)F 62a_100000210202_100010135560 [0,1,0,0,0,0|3,0,0]=4 1188 B12R1.112 CCSc1cnc(cc1OC)F 62a_100010135560_100000210202 [0,1,0,0,0,0|3,0,0]=4 1189 B12R1.112 CCSc1cnc(cc1OC)N 62a_100000210202_100015506990 [0,1,0,0,0,0|3,0,0]=4 1190 B12R1.112 CCSc1cnc(cc1OC)N 62a_100015506990_100000210202 [0,1,0,0,0,0|3,0,0]=4 1191 B12R1.112 CCSc1ncc(cc1OC)C 62a_100000210202_200000118316 [0,1,0,0,0,0|3,0,0]=4 1192 B12R1.112 CCSc1ncc(cc1OC)F 62a_100000210202_100009867738 [0,1,0,0,0,0|3,0,0]=4 1193 B12R1.112 CCSc1ncc(cc1OC)F 62a_100010136273_100000210202 [0,1,0,0,0,0|3,0,0]=4 1194 B12R1.112 CCSc1ncc(cc1OC)N 62a_100000210202_100000097218 [0,1,0,0,0,0|3,0,0]=4 1195 B12R1.112 CCSc1ncc(cc1OC)N 62a_200010291755_100000210202 [0,1,0,0,0,0|3,0,0]=4 1196 B12R1.112 CCc1cc(ccc1CNC)Br 207a_100102657272_100010209654 [0,1,0,0,0,0|3,0,0]=4 1197 B12R1.112 CCc1cc(ccc1CNC)Br 269862a_106832991636_100010209654 [0,1,0,0,0,0|3,0,0]=4 1198 B12R1.112 CCc1cc(ccc1CNC)Br 26a_100102657272_100012338938 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.112 CCc1cc(ccc1CNC)Br 270004a_106832991635_100010209654 [0,1,0,0,0,0|3,0,0]=4 1200 B12R1.112 CCc1cc(ccc1NCF)Br 34a_100000686106_100015361967 [0,1,0,0,0,0|3,0,0]=4 1201 B12R1.112 CCc1cc(ccc1NCF)Br 7a_100000686106_100015361967 [0,1,0,0,0,0|3,0,0]=4 1202 B12R1.112 CCc1cc(ccc1NCF)Cl 34a_100012017146_100015361967 [0,1,0,0,0,0|3,0,0]=4 1203 B12R1.112 CCc1cc(ccc1NCF)Cl 7a_100012017146_100015361967 [0,1,0,0,0,0|3,0,0]=4 1204 B12R1.112 CCc1cc(ccc1NCF)I 34a_100000014069_100015361967 [0,1,0,0,0,0|3,0,0]=4 1205 B12R1.112 CCc1cc(ccc1NCF)I 7a_100000014069_100015361967 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.112 CCc1cc(ccc1OCF)Br 34a_100012338938_100015361967 [0,1,0,0,0,0|3,0,0]=4 1207 B12R1.112 CCc1cc(ccc1OCF)Br 7a_100012338938_100015361967 [0,1,0,0,0,0|3,0,0]=4 1208 B12R1.112 CCc1cc(ccc1OCF)C 34a_100009844793_100015361967 [0,1,0,0,0,0|3,0,0]=4 1209 B12R1.112 CCc1cc(ccc1OCF)C 7a_100009844793_100015361967 [0,1,0,0,0,0|3,0,0]=4 1210 B12R1.112 CCc1cc(ccc1OCF)F 34a_200000035566_100015361967 [0,1,0,0,0,0|3,0,0]=4 1211 B12R1.112 CCc1cc(ccc1OCF)F 7a_200000035566_100015361967 [0,1,0,0,0,0|3,0,0]=4 1212 B12R1.112 CCc1cc(ccc1SCF)Br 62a_100011216195_100015361967 [0,1,0,0,0,0|3,0,0]=4 1213 B12R1.112 CCc1cc(ccc1SCF)Br 62a_100015361967_100011216195 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.112 CCc1cc(ccc1SCF)N 62a_100010109747_100015361967 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.112 CCc1cc(ccc1SCF)N 62a_100015361967_100010109747 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.112 CNCc1ccc(cc1OC)Br 207a_100102657272_100000697075 [0,1,0,0,0,0|2,0,0]=3 1217 B12R1.112 CNCc1ccc(cc1OC)Br 2230a_106832991635_100012359436 [0,1,0,0,0,0|2,0,0]=3 1218 B12R1.112 CNCc1ccc(cc1OC)Br 26a_100102657272_100000694246 [0,1,0,0,0,0|2,0,0]=3 1219 B12R1.112 CNCc1ccc(cc1OC)Br 270004a_106832991635_100000697075 [0,1,0,0,0,0|2,0,0]=3 1220 B12R1.112 CNCc1ccc(cc1OC)Br 34a_100102657272_100012359436 [0,1,0,0,0,0|2,0,0]=3 1221 B12R1.112 CNCc1ccc(cc1OC)Br 7a_106832991635_100012359436 [0,1,0,0,0,0|2,0,0]=3 1222 B12R1.112 CNCc1ccc(cc1OC)C 207a_100102657272_100000689369 [0,1,0,0,0,0|2,0,0]=3 1223 B12R1.112 CNCc1ccc(cc1OC)C 270004a_106832991635_100000689369 [0,1,0,0,0,0|2,0,0]=3 1224 B12R1.112 CNCc1ccc(cc1OC)Cl 207a_100102657272_100000235374 [0,1,0,0,0,0|2,0,0]=3 1225 B12R1.112 CNCc1ccc(cc1OC)Cl 270004a_106832991635_100000235374 [0,1,0,0,0,0|2,0,0]=3 1226 B12R1.112 CNCc1ccc(cc1OC)F 207a_100102657272_100000042785 [0,1,0,0,0,0|2,0,0]=3 1227 B12R1.112 CNCc1ccc(cc1OC)F 2230a_106832991635_200010171551 [0,1,0,0,0,0|2,0,0]=3 1228 B12R1.112 CNCc1ccc(cc1OC)F 270004a_106832991635_100000042785 [0,1,0,0,0,0|2,0,0]=3 1229 B12R1.112 CNCc1ccc(cc1OC)F 34a_100000062129_200000210301 [0,1,0,0,0,0|2,0,0]=3 1230 B12R1.112 CNCc1ccc(cc1OC)F 34a_100102657272_200010171551 [0,1,0,0,0,0|2,0,0]=3 1231 B12R1.112 CNCc1ccc(cc1OC)F 7a_106832991635_200010171551 [0,1,0,0,0,0|2,0,0]=3 1232 B12R1.112 CNCc1ccc(cc1OC)I 207a_100102657272_100010290300 [0,1,0,0,0,0|2,0,0]=3 1233 B12R1.112 CNCc1ccc(cc1SC)F 62a_200000210301_200011192132 [0,1,0,0,0,0|2,1,0]=4 1234 B12R1.112 CNCc1ccc(cc1SC)F 62a_200011192132_200000210301 [0,1,0,0,0,0|2,1,0]=4 1235 B12R1.112 CNCc1ccc(cc1S[13CH3])F 62a_200011192132_200025704644 [0,1,0,0,0,0|2,1,0]=4 1236 B12R1.112 CNCc1ccc(cc1S[13CH3])F 62a_200025704644_200011192132 [0,1,0,0,0,0|2,1,0]=4 1237 B12R1.112 CNCc1ccc(nc1OC)Br 2230a_106832991635_100016029037 [0,1,0,0,0,0|3,0,0]=4 1238 B12R1.112 CNCc1ccc(nc1OC)Br 34a_100102657272_100016029037 [0,1,0,0,0,0|3,0,0]=4 1239 B12R1.112 CNCc1ccc(nc1OC)Br 7a_106832991635_100016029037 [0,1,0,0,0,0|3,0,0]=4 1240 B12R1.112 CNCc1ccc(nc1OC)Cl 2230a_100015687481_200000210301 [0,1,0,0,0,0|3,0,0]=4 1241 B12R1.112 CNCc1ccc(nc1OC)Cl 34a_100015687481_200000210301 [0,1,0,0,0,0|3,0,0]=4 1242 B12R1.112 CNCc1ncc(cc1OC)Br 207a_100102657272_100010246152 [0,1,0,0,0,0|3,0,0]=4 1243 B12R1.112 CNCc1ncc(cc1OC)Br 270004a_106832991635_100010246152 [0,1,0,0,0,0|3,0,0]=4 1244 B12R1.112 CNc1cc(ccc1COC)Br 34a_100013084866_200000210301 [0,1,0,0,0,0|3,0,0]=4 1245 B12R1.112 CNc1cc(ccc1COC)Br 7a_100013084866_200000210301 [0,1,0,0,0,0|3,0,0]=4 1246 B12R1.112 CNc1cc(ccc1SCF)F 62a_100015361967_100020633008 [0,1,0,0,0,0|3,0,0]=4 1247 B12R1.112 CNc1cc(ccc1SCF)F 62a_100020633008_100015361967 [0,1,0,0,0,0|3,0,0]=4 1248 B12R1.112 COCc1ccc(cc1N[13CH3])Br 34a_100013084866_200025704644 [0,1,0,0,0,0|3,0,0]=4 1249 B12R1.112 COCc1ccc(cc1N[13CH3])Br 7a_100013084866_200025704644 [0,1,0,0,0,0|3,0,0]=4 1250 B12R1.112 COCc1ccc(cc1OC)Br 34a_100011277633_200000210301 [0,1,0,0,0,0|2,0,0]=3 1251 B12R1.112 COCc1ccc(cc1OC)Br 34a_100138415774_100012359436 [0,1,0,0,0,0|2,0,0]=3 1252 B12R1.112 COCc1ccc(cc1OC)Br 7a_100011277633_200000210301 [0,1,0,0,0,0|2,0,0]=3 1253 B12R1.112 COCc1ccc(cc1OC)C 34a_200012017176_200000210301 [0,1,0,0,0,0|2,0,0]=3 1254 B12R1.112 COCc1ccc(cc1OC)C 7a_200012017176_200000210301 [0,1,0,0,0,0|2,0,0]=3 1255 B12R1.112 COCc1ccc(cc1OC)Cl 34a_200011215853_200000210301 [0,1,0,0,0,0|2,0,0]=3 1256 B12R1.112 COCc1ccc(cc1OC)Cl 7a_200011215853_200000210301 [0,1,0,0,0,0|2,0,0]=3 1257 B12R1.112 COCc1ccc(cc1OC)F 34a_100000117171_200000210301 [0,1,0,0,0,0|2,0,0]=3 1258 B12R1.112 COCc1ccc(cc1OC)F 34a_100138415774_200010171551 [0,1,0,0,0,0|2,0,0]=3 1259 B12R1.112 COCc1ccc(cc1OC)F 7a_100000117171_200000210301 [0,1,0,0,0,0|2,0,0]=3 1260 B12R1.112 COCc1ccc(cc1OC)I 34a_100010233823_200000210301 [0,1,0,0,0,0|2,0,0]=3 1261 B12R1.112 COCc1ccc(cc1OC)I 7a_100010233823_200000210301 [0,1,0,0,0,0|2,0,0]=3 1262 B12R1.112 COCc1ccc(cc1OC)N 34a_100012183141_200000210301 [0,1,0,0,0,0|2,0,0]=3 1263 B12R1.112 COCc1ccc(nc1OC)Br 34a_100010988397_200000210301 [0,1,0,0,0,0|3,0,0]=4 1264 B12R1.112 COCc1ccc(nc1OC)Br 34a_100138415774_100016029037 [0,1,0,0,0,0|3,0,0]=4 1265 B12R1.112 COCc1ccc(nc1OC)Cl 34a_200009869906_200000210301 [0,1,0,0,0,0|3,0,0]=4 1266 B12R1.112 COCc1cnc(cc1OC)Cl 34a_100010714672_200000210301 [0,1,0,0,0,0|3,0,0]=4 1267 B12R1.112 COCc1ncc(cc1OC)Br 34a_200010246159_200000210301 [0,1,0,0,0,0|3,0,0]=4 1268 B12R1.112 COCc1ncc(cc1OC)Br 7a_200010246159_200000210301 [0,1,0,0,0,0|3,0,0]=4 1269 B12R1.112 COc1cc(ccc1CC#N)O 271570a_203496583355_100010245117 [0,1,0,0,0,0|0,0,2]=3 1270 B12R1.112 COc1cc(ccc1CN[13CH3])F 34a_100000062129_200025704644 [0,1,0,0,0,0|2,0,0]=3 1271 B12R1.112 COc1cc(ccc1CO[13CH3])Br 34a_100011277633_200025704644 [0,1,0,0,0,0|2,0,0]=3 1272 B12R1.112 COc1cc(ccc1CO[13CH3])Br 7a_100011277633_200025704644 [0,1,0,0,0,0|2,0,0]=3 1273 B12R1.112 COc1cc(ccc1CO[13CH3])C 34a_200012017176_200025704644 [0,1,0,0,0,0|2,0,0]=3 1274 B12R1.112 COc1cc(ccc1CO[13CH3])C 7a_200012017176_200025704644 [0,1,0,0,0,0|2,0,0]=3 1275 B12R1.112 COc1cc(ccc1CO[13CH3])Cl 34a_200011215853_200025704644 [0,1,0,0,0,0|2,0,0]=3 1276 B12R1.112 COc1cc(ccc1CO[13CH3])Cl 7a_200011215853_200025704644 [0,1,0,0,0,0|2,0,0]=3 1277 B12R1.112 COc1cc(ccc1CO[13CH3])F 34a_100000117171_200025704644 [0,1,0,0,0,0|2,0,0]=3 1278 B12R1.112 COc1cc(ccc1CO[13CH3])F 7a_100000117171_200025704644 [0,1,0,0,0,0|2,0,0]=3 1279 B12R1.112 COc1cc(ccc1CO[13CH3])I 34a_100010233823_200025704644 [0,1,0,0,0,0|2,0,0]=3 1280 B12R1.112 COc1cc(ccc1CO[13CH3])I 7a_100010233823_200025704644 [0,1,0,0,0,0|2,0,0]=3 1281 B12R1.112 COc1cc(ccc1CO[13CH3])N 34a_100012183141_200025704644 [0,1,0,0,0,0|2,0,0]=3 1282 B12R1.112 COc1cc(ccc1CSC)Br 62a_100012359436_200000210301 [0,1,0,0,0,0|2,0,0]=3 1283 B12R1.112 COc1cc(ccc1CSC)Br 62a_200000210301_100012359436 [0,1,0,0,0,0|2,0,0]=3 1284 B12R1.112 COc1cc(ccc1CSC)F 62a_200000210301_200010171551 [0,1,0,0,0,0|2,0,0]=3 1285 B12R1.112 COc1cc(ccc1CSC)F 62a_200010171551_200000210301 [0,1,0,0,0,0|2,0,0]=3 1286 B12R1.112 COc1cc(ccc1CS[13CH3])Br 62a_100012359436_200025704644 [0,1,0,0,0,0|2,0,0]=3 1287 B12R1.112 COc1cc(ccc1CS[13CH3])Br 62a_200025704644_100012359436 [0,1,0,0,0,0|2,0,0]=3 1288 B12R1.112 COc1cc(ccc1CS[13CH3])F 62a_200010171551_200025704644 [0,1,0,0,0,0|2,0,0]=3 1289 B12R1.112 COc1cc(ccc1CS[13CH3])F 62a_200025704644_200010171551 [0,1,0,0,0,0|2,0,0]=3 1290 B12R1.112 COc1cc(ccc1NCF)Br 34a_100011279103_100015361967 [0,1,0,0,0,0|2,0,0]=3 1291 B12R1.112 COc1cc(ccc1NCF)C 34a_100000746441_100015361967 [0,1,0,0,0,0|2,0,0]=3 1292 B12R1.112 COc1cc(ccc1NCF)Cl 34a_100000707585_100015361967 [0,1,0,0,0,0|2,0,0]=3 1293 B12R1.112 COc1cc(ccc1NCF)F 34a_100000737216_100015361967 [0,1,0,0,0,0|2,0,0]=3 1294 B12R1.112 COc1cc(ccc1NCF)I 34a_100015196925_100015361967 [0,1,0,0,0,0|2,0,0]=3 1295 B12R1.112 COc1cc(ccc1NCF)O 34a_100015326901_100015361967 [0,1,0,0,0,0|2,0,0]=3 1296 B12R1.112 COc1cc(ccc1OCF)Br 34a_100000694246_100015361967 [0,1,0,0,0,0|2,0,0]=3 1297 B12R1.112 COc1cc(ccc1OCF)Br 7a_100000694246_100015361967 [0,1,0,0,0,0|2,0,0]=3 1298 B12R1.112 COc1cc(ccc1OCF)C 34a_100000186466_100015361967 [0,1,0,0,0,0|2,0,0]=3 1299 B12R1.112 COc1cc(ccc1OCF)Cl 34a_100000033002_100015361967 [0,1,0,0,0,0|2,0,0]=3 1300 B12R1.112 COc1cc(ccc1OCF)F 34a_100000036057_100015361967 [0,1,0,0,0,0|2,0,0]=3 1301 B12R1.112 COc1cc(ccc1OCF)F 7a_100000036057_100015361967 [0,1,0,0,0,0|2,0,0]=3 1302 B12R1.112 COc1cc(ccc1OCF)I 34a_100000049635_100015361967 [0,1,0,0,0,0|2,0,0]=3 1303 B12R1.112 COc1cc(ccc1OCF)N 34a_100000726020_100015361967 [0,1,0,0,0,0|2,0,0]=3 1304 B12R1.112 COc1cc(ccc1SCF)Br 62a_100010245111_100015361967 [0,1,0,0,0,0|2,0,0]=3 1305 B12R1.112 COc1cc(ccc1SCF)Br 62a_100015361967_100010245111 [0,1,0,0,0,0|2,0,0]=3 1306 B12R1.112 COc1cc(ccc1SCF)C 62a_100010200004_100015361967 [0,1,0,0,0,0|2,0,0]=3 1307 B12R1.112 COc1cc(ccc1SCF)C 62a_100015361967_100010200004 [0,1,0,0,0,0|2,0,0]=3 1308 B12R1.112 COc1cc(ccc1SCF)Cl 62a_100000050115_100015361967 [0,1,0,0,0,0|2,0,0]=3 1309 B12R1.112 COc1cc(ccc1SCF)Cl 62a_100015361967_100000050115 [0,1,0,0,0,0|2,0,0]=3 1310 B12R1.112 COc1cc(ccc1SCF)F 62a_100000757151_100015361967 [0,1,0,0,0,0|2,0,0]=3 1311 B12R1.112 COc1cc(ccc1SCF)F 62a_100015361967_100000757151 [0,1,0,0,0,0|2,0,0]=3 1312 B12R1.112 COc1cc(ccc1SCF)N 62a_100000765947_100015361967 [0,1,0,0,0,0|2,0,0]=3 1313 B12R1.112 COc1cc(ccc1SCF)N 62a_100015361967_100000765947 [0,1,0,0,0,0|2,0,0]=3 1314 B12R1.112 COc1cc(ccc1SCF)O 62a_100015361967_100011827694 [0,1,0,0,0,0|2,0,0]=3 1315 B12R1.112 COc1cc(cnc1CO[13CH3])Br 34a_200010246159_200025704644 [0,1,0,0,0,0|3,0,0]=4 1316 B12R1.112 COc1cc(cnc1CO[13CH3])Br 7a_200010246159_200025704644 [0,1,0,0,0,0|3,0,0]=4 1317 B12R1.112 COc1cc(cnc1OCF)Cl 34a_200009845368_100015361967 [0,1,0,0,0,0|3,0,0]=4 1318 B12R1.112 COc1cc(cnc1SCF)C 62a_100015361967_200000118316 [0,1,0,0,0,0|3,0,0]=4 1319 B12R1.112 COc1cc(cnc1SCF)F 62a_100010136273_100015361967 [0,1,0,0,0,0|3,0,0]=4 1320 B12R1.112 COc1cc(cnc1SCF)F 62a_100015361967_100009867738 [0,1,0,0,0,0|3,0,0]=4 1321 B12R1.112 COc1cc(cnc1SCF)N 62a_100015361967_100000097218 [0,1,0,0,0,0|3,0,0]=4 1322 B12R1.112 COc1cc(cnc1SCF)N 62a_200010291755_100015361967 [0,1,0,0,0,0|3,0,0]=4 1323 B12R1.112 COc1cc(ncc1CO[13CH3])Cl 34a_100010714672_200025704644 [0,1,0,0,0,0|3,0,0]=4 1324 B12R1.112 COc1cc(ncc1SCF)C 62a_100000717771_100015361967 [0,1,0,0,0,0|3,0,0]=4 1325 B12R1.112 COc1cc(ncc1SCF)C 62a_100015361967_100000717771 [0,1,0,0,0,0|3,0,0]=4 1326 B12R1.112 COc1cc(ncc1SCF)Cl 62a_100010154656_100015361967 [0,1,0,0,0,0|3,0,0]=4 1327 B12R1.112 COc1cc(ncc1SCF)Cl 62a_100015361967_100010154656 [0,1,0,0,0,0|3,0,0]=4 1328 B12R1.112 COc1cc(ncc1SCF)F 62a_100010135560_100015361967 [0,1,0,0,0,0|3,0,0]=4 1329 B12R1.112 COc1cc(ncc1SCF)F 62a_100015361967_100010135560 [0,1,0,0,0,0|3,0,0]=4 1330 B12R1.112 COc1cc(ncc1SCF)N 62a_100015361967_100015506990 [0,1,0,0,0,0|3,0,0]=4 1331 B12R1.112 COc1cc(ncc1SCF)N 62a_100015506990_100015361967 [0,1,0,0,0,0|3,0,0]=4 1332 B12R1.112 COc1nc(ccc1CN[13CH3])Cl 2230a_100015687481_200025704644 [0,1,0,0,0,0|3,0,0]=4 1333 B12R1.112 COc1nc(ccc1CN[13CH3])Cl 34a_100015687481_200025704644 [0,1,0,0,0,0|3,0,0]=4 1334 B12R1.112 COc1nc(ccc1CO[13CH3])Br 34a_100010988397_200025704644 [0,1,0,0,0,0|3,0,0]=4 1335 B12R1.112 COc1nc(ccc1CO[13CH3])Cl 34a_200009869906_200025704644 [0,1,0,0,0,0|3,0,0]=4 1336 B12R1.112 COc1nc(ccc1CSC)Br 62a_100016029037_200000210301 [0,1,0,0,0,0|3,0,0]=4 1337 B12R1.112 COc1nc(ccc1CSC)Br 62a_200000210301_100016029037 [0,1,0,0,0,0|3,0,0]=4 1338 B12R1.112 COc1nc(ccc1CS[13CH3])Br 62a_100016029037_200025704644 [0,1,0,0,0,0|3,0,0]=4 1339 B12R1.112 COc1nc(ccc1CS[13CH3])Br 62a_200025704644_100016029037 [0,1,0,0,0,0|3,0,0]=4 1340 B12R1.112 COc1nc(ccc1OCF)Br 34a_100010893133_100015361967 [0,1,0,0,0,0|3,0,0]=4 1341 B12R1.112 COc1nc(ccc1SCF)C 62a_100010138632_100015361967 [0,1,0,0,0,0|3,0,0]=4 1342 B12R1.112 COc1nc(ccc1SCF)C 62a_100015361967_100010138632 [0,1,0,0,0,0|3,0,0]=4 1343 B12R1.112 COc1nc(ccc1SCF)N 62a_100010187630_100015361967 [0,1,0,0,0,0|3,0,0]=4 1344 B12R1.112 COc1nc(ccc1SCF)N 62a_100015361967_100010187630 [0,1,0,0,0,0|3,0,0]=4 1345 B12R1.112 CSc1cc(ccc1CC#N)F 62a_100011207962_200000210301 [0,1,0,0,0,0|0,1,2]=4 1346 B12R1.112 CSc1cc(ccc1CC#N)F 62a_200000210301_100011207962 [0,1,0,0,0,0|0,1,2]=4 1347 B12R1.112 CSc1cc(ccc1SCF)C 62a_100015361967_200010709736 [0,1,0,0,0,0|2,1,0]=4 1348 B12R1.112 CSc1cc(ccc1SCF)C 62a_200010709736_100015361967 [0,1,0,0,0,0|2,1,0]=4 1349 B12R1.112 [13CH3]Sc1cc(ccc1CC#N)F 62a_100011207962_200025704644 [0,1,0,0,0,0|0,1,2]=4 1350 B12R1.112 [13CH3]Sc1cc(ccc1CC#N)F 62a_200025704644_100011207962 [0,1,0,0,0,0|0,1,2]=4 1351 B12R1.121 C#CCNc1ccccc1CC 2230a_100000212081_100000038162 [0,1,0,0,0,0|2,0,1]=4 1352 B12R1.121 C#CCNc1ccccc1CC 34a_100000212081_100000184674 [0,1,0,0,0,0|2,0,1]=4 1353 B12R1.121 C#CCNc1ccccc1CC 7a_100000212081_100000038162 [0,1,0,0,0,0|2,0,1]=4 1354 B12R1.121 C#CCNc1ccccc1OC 34a_100000210025_100000184674 [0,1,0,0,0,0|1,0,1]=3 1355 B12R1.121 C#CCNc1ccccc1SC 34a_100000211160_100000184674 [0,1,0,0,0,0|1,1,1]=4 1356 B12R1.121 C#CCOc1ccccc1CC 34a_100000210936_100000184674 [0,1,0,0,0,0|2,0,1]=4 1357 B12R1.121 C#CCOc1ccccc1CC 7a_100000210936_100000038162 [0,1,0,0,0,0|2,0,1]=4 1358 B12R1.121 C#CCOc1ccccc1NC 34a_100000033821_100000184674 [0,1,0,0,0,0|2,0,1]=4 1359 B12R1.121 C#CCOc1ccccc1NC 34a_100000707309_200000210301 [0,1,0,0,0,0|2,0,1]=4 1360 B12R1.121 C#CCOc1ccccc1N[13CH3] 34a_100000707309_200025704644 [0,1,0,0,0,0|2,0,1]=4 1361 B12R1.121 C#CCOc1ccccc1OC 34a_100000210385_100000184674 [0,1,0,0,0,0|1,0,1]=3 1362 B12R1.121 C#CCOc1ccccc1SC 34a_100011216402_100000184674 [0,1,0,0,0,0|1,1,1]=4 1363 B12R1.121 C#CCOc1cccnc1OC 34a_100000698397_100000184674 [0,1,0,0,0,0|2,0,1]=4 1364 B12R1.121 C#CCOc1cccnc1OC 7a_100000698397_100000038162 [0,1,0,0,0,0|2,0,1]=4 1365 B12R1.121 C#CCOc1cnccc1OC 34a_100000101186_100000184674 [0,1,0,0,0,0|2,0,1]=4 1366 B12R1.121 C#CCOc1ncccc1OC 34a_100025773188_100000184674 [0,1,0,0,0,0|2,0,1]=4 1367 B12R1.121 C#CCSc1ccccc1CC 62a_100000038162_100011215823 [0,1,0,0,0,0|2,0,1]=4 1368 B12R1.121 C#CCSc1ccccc1NC 62a_100000038162_100020606079 [0,1,0,0,0,0|2,0,1]=4 1369 B12R1.121 C#CCSc1ccccc1OC 62a_100000038162_100000210334 [0,1,0,0,0,0|1,0,1]=3 1370 B12R1.121 C#CCSc1ccccc1SC 62a_100000038162_100011217816 [0,1,0,0,0,0|1,1,1]=4 1371 B12R1.121 C#CCSc1cccnc1OC 62a_100000038162_100000047025 [0,1,0,0,0,0|2,0,1]=4 1372 B12R1.121 C#CCSc1ccncc1OC 62a_100000038162_100016988167 [0,1,0,0,0,0|2,0,1]=4 1373 B12R1.121 C#CCSc1cnccc1OC 62a_100000038162_100011997281 [0,1,0,0,0,0|2,0,1]=4 1374 B12R1.121 C#CCSc1ncccc1OC 62a_100000038162_100000690851 [0,1,0,0,0,0|2,0,1]=4 1375 B12R1.121 C#Cc1ccccc1CNCC 34a_100020634229_100000210202 [0,1,0,0,0,0|2,0,1]=4 1376 B12R1.121 C#Cc1ccccc1CNCF 34a_100020634229_100015361967 [0,1,0,0,0,0|2,0,1]=4 1377 B12R1.121 C#Cc1ccccc1COCC 34a_100000054652_100000210202 [0,1,0,0,0,0|2,0,1]=4 1378 B12R1.121 C#Cc1ccccc1COCC 7a_100000054652_100000210202 [0,1,0,0,0,0|2,0,1]=4 1379 B12R1.121 C#Cc1ccccc1COCF 34a_100000054652_100015361967 [0,1,0,0,0,0|2,0,1]=4 1380 B12R1.121 C#Cc1ccccc1COCF 7a_100000054652_100015361967 [0,1,0,0,0,0|2,0,1]=4 1381 B12R1.121 C#Cc1ccccc1NCCC 34a_100011470550_100000210303 [0,1,0,0,0,0|2,0,1]=4 1382 B12R1.121 C#Cc1ccccc1NCCF 34a_100011470550_100011217306 [0,1,0,0,0,0|2,0,1]=4 1383 B12R1.121 C#Cc1ccccc1NCCO 34a_100011470550_100000211926 [0,1,0,0,0,0|2,0,1]=4 1384 B12R1.121 C#Cc1ccccc1OCCC 34a_200011470546_100000210303 [0,1,0,0,0,0|2,0,1]=4 1385 B12R1.121 C#Cc1ccccc1OCCC 7a_200011470546_100000210303 [0,1,0,0,0,0|2,0,1]=4 1386 B12R1.121 C#Cc1ccccc1OCCF 34a_200011470546_100011217306 [0,1,0,0,0,0|2,0,1]=4 1387 B12R1.121 C#Cc1ccccc1OCCF 7a_200011470546_100011217306 [0,1,0,0,0,0|2,0,1]=4 1388 B12R1.121 C#Cc1ccccc1OCCO 34a_200011470546_100000211926 [0,1,0,0,0,0|2,0,1]=4 1389 B12R1.121 C#Cc1ccccc1OCCO 7a_200011470546_100000211926 [0,1,0,0,0,0|2,0,1]=4 1390 B12R1.121 C=CCNc1ccccc1CC 2230a_100000212081_100000210623 [0,1,0,0,0,0|2,0,1]=4 1391 B12R1.121 C=CCNc1ccccc1CC 34a_100000212081_100015514636 [0,1,0,0,0,0|2,0,1]=4 1392 B12R1.121 C=CCNc1ccccc1CC 7a_100000212081_100015514636 [0,1,0,0,0,0|2,0,1]=4 1393 B12R1.121 C=CCNc1ccccc1OC 34a_100000210025_100015514636 [0,1,0,0,0,0|1,0,1]=3 1394 B12R1.121 C=CCNc1ccccc1SC 34a_100000211160_100015514636 [0,1,0,0,0,0|1,1,1]=4 1395 B12R1.121 C=CCOc1ccccc1CC 34a_100000210936_100015514636 [0,1,0,0,0,0|2,0,1]=4 1396 B12R1.121 C=CCOc1ccccc1CC 7a_100000210936_100015514636 [0,1,0,0,0,0|2,0,1]=4 1397 B12R1.121 C=CCOc1ccccc1NC 34a_100000033821_100015514636 [0,1,0,0,0,0|2,0,1]=4 1398 B12R1.121 C=CCOc1ccccc1OC 34a_100000210385_100015514636 [0,1,0,0,0,0|1,0,1]=3 1399 B12R1.121 C=CCOc1ccccc1OC 34a_200011262142_200000210301 [0,1,0,0,0,0|1,0,1]=3 1400 B12R1.121 C=CCOc1ccccc1OC 7a_200011262142_200000210301 [0,1,0,0,0,0|1,0,1]=3 1401 B12R1.121 C=CCOc1ccccc1O[13CH3] 34a_200011262142_200025704644 [0,1,0,0,0,0|1,0,1]=3 1402 B12R1.121 C=CCOc1ccccc1O[13CH3] 7a_200011262142_200025704644 [0,1,0,0,0,0|1,0,1]=3 1403 B12R1.121 C=CCOc1ccccc1SC 34a_100011216402_100015514636 [0,1,0,0,0,0|1,1,1]=4 1404 B12R1.121 C=CCOc1cccnc1OC 34a_100000698397_100015514636 [0,1,0,0,0,0|2,0,1]=4 1405 B12R1.121 C=CCOc1cccnc1OC 7a_100000698397_100015514636 [0,1,0,0,0,0|2,0,1]=4 1406 B12R1.121 C=CCOc1cnccc1OC 34a_100000101186_100015514636 [0,1,0,0,0,0|2,0,1]=4 1407 B12R1.121 C=CCOc1ncccc1OC 34a_100025773188_100015514636 [0,1,0,0,0,0|2,0,1]=4 1408 B12R1.121 C=CCSc1ccccc1CC 62a_100000210623_100011215823 [0,1,0,0,0,0|2,0,1]=4 1409 B12R1.121 C=CCSc1ccccc1CC 62a_100011215823_100000210623 [0,1,0,0,0,0|2,0,1]=4 1410 B12R1.121 C=CCSc1ccccc1NC 2230a_100000198565_200000210301 [0,1,0,0,0,0|2,0,1]=4 1411 B12R1.121 C=CCSc1ccccc1NC 62a_100000210623_100020606079 [0,1,0,0,0,0|2,0,1]=4 1412 B12R1.121 C=CCSc1ccccc1NC 62a_100020606079_100000210623 [0,1,0,0,0,0|2,0,1]=4 1413 B12R1.121 C=CCSc1ccccc1NC 7a_100000198565_200000210301 [0,1,0,0,0,0|2,0,1]=4 1414 B12R1.121 C=CCSc1ccccc1N[13CH3] 2230a_100000198565_200025704644 [0,1,0,0,0,0|2,0,1]=4 1415 B12R1.121 C=CCSc1ccccc1N[13CH3] 7a_100000198565_200025704644 [0,1,0,0,0,0|2,0,1]=4 1416 B12R1.121 C=CCSc1ccccc1OC 62a_100000210334_100000210623 [0,1,0,0,0,0|1,0,1]=3 1417 B12R1.121 C=CCSc1ccccc1OC 62a_100000210623_100000210334 [0,1,0,0,0,0|1,0,1]=3 1418 B12R1.121 C=CCSc1ccccc1SC 62a_100000210623_100011217816 [0,1,0,0,0,0|1,1,1]=4 1419 B12R1.121 C=CCSc1ccccc1SC 62a_100011217816_100000210623 [0,1,0,0,0,0|1,1,1]=4 1420 B12R1.121 C=CCSc1cccnc1OC 62a_100000047025_100000210623 [0,1,0,0,0,0|2,0,1]=4 1421 B12R1.121 C=CCSc1cccnc1OC 62a_100000210623_100000047025 [0,1,0,0,0,0|2,0,1]=4 1422 B12R1.121 C=CCSc1ccncc1OC 62a_100000210623_100016988167 [0,1,0,0,0,0|2,0,1]=4 1423 B12R1.121 C=CCSc1ccncc1OC 62a_100016988167_100000210623 [0,1,0,0,0,0|2,0,1]=4 1424 B12R1.121 C=CCSc1cnccc1OC 62a_100000210623_100011997281 [0,1,0,0,0,0|2,0,1]=4 1425 B12R1.121 C=CCSc1cnccc1OC 62a_100011997281_100000210623 [0,1,0,0,0,0|2,0,1]=4 1426 B12R1.121 C=CCSc1ncccc1OC 62a_100000210623_100000690851 [0,1,0,0,0,0|2,0,1]=4 1427 B12R1.121 C=CCSc1ncccc1OC 62a_100000767102_100000210623 [0,1,0,0,0,0|2,0,1]=4 1428 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,1,0,0,0,0|2,0,1]=4 1429 B12R1.121 C=Cc1ccccc1CCCO 271570a_100011290941_100000699526 [0,1,0,0,0,0|2,0,1]=4 1430 B12R1.121 C=Cc1ccccc1COCC 271570a_100011290941_200011493690 [0,1,0,0,0,0|2,0,1]=4 1431 B12R1.121 C=Cc1ccccc1COCC 34a_200010883148_100000210202 [0,1,0,0,0,0|2,0,1]=4 1432 B12R1.121 C=Cc1ccccc1COCC 7a_200010883148_100000210202 [0,1,0,0,0,0|2,0,1]=4 1433 B12R1.121 C=Cc1ccccc1COCF 34a_200010883148_100015361967 [0,1,0,0,0,0|2,0,1]=4 1434 B12R1.121 C=Cc1ccccc1COCF 7a_200010883148_100015361967 [0,1,0,0,0,0|2,0,1]=4 1435 B12R1.121 C=Cc1ccccc1CSCC 271570a_100011290941_200000173030 [0,1,0,0,0,0|2,0,1]=4 1436 B12R1.121 C=Cc1ccccc1NCCC 34a_100012022501_100000210303 [0,1,0,0,0,0|2,0,1]=4 1437 B12R1.121 C=Cc1ccccc1NCCF 34a_100012022501_100011217306 [0,1,0,0,0,0|2,0,1]=4 1438 B12R1.121 C=Cc1ccccc1NCCO 34a_100012022501_100000211926 [0,1,0,0,0,0|2,0,1]=4 1439 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [0,1,0,0,0,0|2,0,1]=4 1440 B12R1.121 C=Cc1ccccc1OCCN 271570a_100011290941_100000744007 [0,1,0,0,0,0|1,0,1]=3 1441 B12R1.121 C=Cc1ccccc1OCCO 271570a_100011290941_100000230753 [0,1,0,0,0,0|2,0,1]=4 1442 B12R1.121 C=Cc1ccccc1SCCC 62a_100000210303_100011218376 [0,1,0,0,0,0|2,0,1]=4 1443 B12R1.121 C=Cc1ccccc1SCCC 62a_100011218376_100000210303 [0,1,0,0,0,0|2,0,1]=4 1444 B12R1.121 C=Cc1ccccc1SCCF 62a_100011217306_100011218376 [0,1,0,0,0,0|2,0,1]=4 1445 B12R1.121 C=Cc1ccccc1SCCF 62a_100011218376_100011217306 [0,1,0,0,0,0|2,0,1]=4 1446 B12R1.121 C=Cc1ccccc1SCCO 271570a_100011290941_200000230852 [0,1,0,0,0,0|2,0,1]=4 1447 B12R1.121 C=Cc1ccccc1SCCO 62a_100000211926_100011218376 [0,1,0,0,0,0|2,0,1]=4 1448 B12R1.121 C=Cc1ccccc1SCCO 62a_100011218376_100000211926 [0,1,0,0,0,0|2,0,1]=4 1449 B12R1.121 CC=NNc1ccccc1OC 4a_100000751209_200000210099 [0,1,0,0,0,0|2,0,1]=4 1450 B12R1.121 CCCCc1ccccc1C#N 271570a_100020621405_100000188569 [0,1,0,0,0,0|3,0,0]=4 1451 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [0,1,0,0,0,0|3,0,0]=4 1452 B12R1.121 CCCCc1ccccc1CC 271570a_100020621405_100011215823 [0,1,0,0,0,0|2,0,0]=3 1453 B12R1.121 CCCCc1ccccc1CN 271570a_100020621405_100000689332 [0,1,0,0,0,0|3,0,0]=4 1454 B12R1.121 CCCCc1ccccc1CO 271570a_100020621405_100000187465 [0,1,0,0,0,0|3,0,0]=4 1455 B12R1.121 CCCCc1ccccc1NC 2230a_200011217597_200000210301 [0,1,0,0,0,0|2,0,0]=3 1456 B12R1.121 CCCCc1ccccc1NC 271570a_100020621405_100020606079 [0,1,0,0,0,0|2,0,0]=3 1457 B12R1.121 CCCCc1ccccc1NC 34a_200011217597_200000210301 [0,1,0,0,0,0|2,0,0]=3 1458 B12R1.121 CCCCc1ccccc1NC 7a_200011217597_200000210301 [0,1,0,0,0,0|2,0,0]=3 1459 B12R1.121 CCCCc1ccccc1NN 271570a_100020621405_100000241748 [0,1,0,0,0,0|3,0,0]=4 1460 B12R1.121 CCCCc1ccccc1N[13CH3] 2230a_200011217597_200025704644 [0,1,0,0,0,0|2,0,0]=3 1461 B12R1.121 CCCCc1ccccc1N[13CH3] 34a_200011217597_200025704644 [0,1,0,0,0,0|2,0,0]=3 1462 B12R1.121 CCCCc1ccccc1N[13CH3] 7a_200011217597_200025704644 [0,1,0,0,0,0|2,0,0]=3 1463 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [0,1,0,0,0,0|1,0,0]=2 1464 B12R1.121 CCCCc1ccccc1SC 271570a_100020621405_100011217816 [0,1,0,0,0,0|1,1,0]=3 1465 B12R1.121 CCCCc1cccnc1CC 271570a_100020621405_100009877225 [0,1,0,0,0,0|3,0,0]=4 1466 B12R1.121 CCCCc1cccnc1NC 271570a_100020621405_100000700899 [0,1,0,0,0,0|3,0,0]=4 1467 B12R1.121 CCCCc1cccnc1OC 271570a_100020621405_100000047025 [0,1,0,0,0,0|2,0,0]=3 1468 B12R1.121 CCCCc1cccnc1SC 271570a_100020621405_100011465278 [0,1,0,0,0,0|2,1,0]=4 1469 B12R1.121 CCCCc1ccncc1CC 271570a_100020621405_100025704421 [0,1,0,0,0,0|3,0,0]=4 1470 B12R1.121 CCCCc1ccncc1OC 271570a_100020621405_100016988167 [0,1,0,0,0,0|2,0,0]=3 1471 B12R1.121 CCCCc1cnccc1CC 271570a_100020621405_100009819861 [0,1,0,0,0,0|3,0,0]=4 1472 B12R1.121 CCCCc1cnccc1NC 271570a_100020621405_100010069531 [0,1,0,0,0,0|3,0,0]=4 1473 B12R1.121 CCCCc1cnccc1OC 271570a_100020621405_100011997281 [0,1,0,0,0,0|2,0,0]=3 1474 B12R1.121 CCCCc1cncnc1OC 271570a_100020621405_100000719902 [0,1,0,0,0,0|3,0,0]=4 1475 B12R1.121 CCCCc1ncccc1NC 271570a_100020621405_200011806188 [0,1,0,0,0,0|3,0,0]=4 1476 B12R1.121 CCCCc1ncccc1OC 271570a_100020621405_100000690851 [0,1,0,0,0,0|2,0,0]=3 1477 B12R1.121 CCCCc1nccnc1OC 271570a_100020621405_100000749998 [0,1,0,0,0,0|3,0,0]=4 1478 B12R1.121 CCCCc1ncncc1OC 271570a_100020621405_100012001275 [0,1,0,0,0,0|3,0,0]=4 1479 B12R1.121 CCCNc1ccccc1C#N 34a_100000211148_100000210303 [0,1,0,0,0,0|3,0,0]=4 1480 B12R1.121 CCCNc1ccccc1CC 2230a_100000212081_100000210303 [0,1,0,0,0,0|2,0,0]=3 1481 B12R1.121 CCCNc1ccccc1CC 34a_100000212081_100000210303 [0,1,0,0,0,0|2,0,0]=3 1482 B12R1.121 CCCNc1ccccc1CC 7a_100000212081_100000210303 [0,1,0,0,0,0|2,0,0]=3 1483 B12R1.121 CCCNc1ccccc1CO 34a_100000212039_100000210303 [0,1,0,0,0,0|3,0,0]=4 1484 B12R1.121 CCCNc1ccccc1OC 34a_100000210025_100000210303 [0,1,0,0,0,0|1,0,0]=2 1485 B12R1.121 CCCNc1ccccc1SC 34a_100000211160_100000210303 [0,1,0,0,0,0|1,1,0]=3 1486 B12R1.121 CCCOc1ccccc1C#N 34a_100000211048_100000210303 [0,1,0,0,0,0|3,0,0]=4 1487 B12R1.121 CCCOc1ccccc1C#N 7a_100000211048_100000210303 [0,1,0,0,0,0|3,0,0]=4 1488 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [0,1,0,0,0,0|2,0,0]=3 1489 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [0,1,0,0,0,0|2,0,0]=3 1490 B12R1.121 CCCOc1ccccc1CN 34a_100000185550_100000210303 [0,1,0,0,0,0|3,0,0]=4 1491 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [0,1,0,0,0,0|3,0,0]=4 1492 B12R1.121 CCCOc1ccccc1NC 27a_100102657272_100000174042 [0,1,0,0,0,0|2,0,0]=3 1493 B12R1.121 CCCOc1ccccc1NC 34a_100000033821_100000210303 [0,1,0,0,0,0|2,0,0]=3 1494 B12R1.121 CCCOc1ccccc1NC 34a_100000683936_200000210301 [0,1,0,0,0,0|2,0,0]=3 1495 B12R1.121 CCCOc1ccccc1N[13CH3] 34a_100000683936_200025704644 [0,1,0,0,0,0|2,0,0]=3 1496 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [0,1,0,0,0,0|1,0,0]=2 1497 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [0,1,0,0,0,0|1,0,0]=2 1498 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [0,1,0,0,0,0|1,0,0]=2 1499 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [0,1,0,0,0,0|1,0,0]=2 1500 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [0,1,0,0,0,0|1,0,0]=2 1501 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [0,1,0,0,0,0|1,1,0]=3 1502 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [0,1,0,0,0,0|1,1,0]=3 1503 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [0,1,0,0,0,0|1,1,0]=3 1504 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [0,1,0,0,0,0|1,1,0]=3 1505 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [0,1,0,0,0,0|1,1,0]=3 1506 B12R1.121 CCCOc1cccnc1OC 34a_100000698397_100000210303 [0,1,0,0,0,0|2,0,0]=3 1507 B12R1.121 CCCOc1cccnc1OC 7a_100000698397_100000210303 [0,1,0,0,0,0|2,0,0]=3 1508 B12R1.121 CCCOc1cnccc1OC 34a_100000101186_100000210303 [0,1,0,0,0,0|2,0,0]=3 1509 B12R1.121 CCCOc1ncccc1OC 34a_100025773188_100000210303 [0,1,0,0,0,0|2,0,0]=3 1510 B12R1.121 CCCOc1ncccc1SC 62a_200000210301_200011465209 [0,1,0,0,0,0|2,1,0]=4 1511 B12R1.121 CCCOc1ncccc1SC 62a_200011465209_200000210301 [0,1,0,0,0,0|2,1,0]=4 1512 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200011465209_200025704644 [0,1,0,0,0,0|2,1,0]=4 1513 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200025704644_200011465209 [0,1,0,0,0,0|2,1,0]=4 1514 B12R1.121 CCCSc1ccccc1C#N 62a_100000210303_100000188569 [0,1,0,0,0,0|3,0,0]=4 1515 B12R1.121 CCCSc1ccccc1C=O 62a_100000210073_100000210303 [0,1,0,0,0,0|3,0,0]=4 1516 B12R1.121 CCCSc1ccccc1C=O 62a_100000210303_100000210073 [0,1,0,0,0,0|3,0,0]=4 1517 B12R1.121 CCCSc1ccccc1CC 62a_100000210303_100011215823 [0,1,0,0,0,0|2,0,0]=3 1518 B12R1.121 CCCSc1ccccc1CC 62a_100011215823_100000210303 [0,1,0,0,0,0|2,0,0]=3 1519 B12R1.121 CCCSc1ccccc1CN 62a_100000210303_100000689332 [0,1,0,0,0,0|3,0,0]=4 1520 B12R1.121 CCCSc1ccccc1CN 62a_100000689332_100000210303 [0,1,0,0,0,0|3,0,0]=4 1521 B12R1.121 CCCSc1ccccc1CO 62a_100000187465_100000210303 [0,1,0,0,0,0|3,0,0]=4 1522 B12R1.121 CCCSc1ccccc1CO 62a_100000210303_100000187465 [0,1,0,0,0,0|3,0,0]=4 1523 B12R1.121 CCCSc1ccccc1NC 34a_100015184514_200000210301 [0,1,0,0,0,0|2,0,0]=3 1524 B12R1.121 CCCSc1ccccc1NC 62a_100000210303_100020606079 [0,1,0,0,0,0|2,0,0]=3 1525 B12R1.121 CCCSc1ccccc1NC 62a_100020606079_100000210303 [0,1,0,0,0,0|2,0,0]=3 1526 B12R1.121 CCCSc1ccccc1NC 7a_100015184514_200000210301 [0,1,0,0,0,0|2,0,0]=3 1527 B12R1.121 CCCSc1ccccc1NN 62a_100000210303_100000241748 [0,1,0,0,0,0|3,0,0]=4 1528 B12R1.121 CCCSc1ccccc1NN 62a_100000241748_100000210303 [0,1,0,0,0,0|3,0,0]=4 1529 B12R1.121 CCCSc1ccccc1N[13CH3] 34a_100015184514_200025704644 [0,1,0,0,0,0|2,0,0]=3 1530 B12R1.121 CCCSc1ccccc1N[13CH3] 7a_100015184514_200025704644 [0,1,0,0,0,0|2,0,0]=3 1531 B12R1.121 CCCSc1ccccc1OC 62a_100000210303_100000210334 [0,1,0,0,0,0|1,0,0]=2 1532 B12R1.121 CCCSc1ccccc1OC 62a_100000210334_100000210303 [0,1,0,0,0,0|1,0,0]=2 1533 B12R1.121 CCCSc1ccccc1SC 62a_100000210303_100011217816 [0,1,0,0,0,0|1,1,0]=3 1534 B12R1.121 CCCSc1ccccc1SC 62a_100011217816_100000210303 [0,1,0,0,0,0|1,1,0]=3 1535 B12R1.121 CCCSc1cccnc1CC 62a_100000210303_100009877225 [0,1,0,0,0,0|3,0,0]=4 1536 B12R1.121 CCCSc1cccnc1CC 62a_100009877225_100000210303 [0,1,0,0,0,0|3,0,0]=4 1537 B12R1.121 CCCSc1cccnc1NC 62a_100000210303_100000700899 [0,1,0,0,0,0|3,0,0]=4 1538 B12R1.121 CCCSc1cccnc1NC 62a_100000700899_100000210303 [0,1,0,0,0,0|3,0,0]=4 1539 B12R1.121 CCCSc1cccnc1OC 62a_100000047025_100000210303 [0,1,0,0,0,0|2,0,0]=3 1540 B12R1.121 CCCSc1cccnc1OC 62a_100000210303_100000047025 [0,1,0,0,0,0|2,0,0]=3 1541 B12R1.121 CCCSc1cccnc1SC 62a_100000210303_100011465278 [0,1,0,0,0,0|2,1,0]=4 1542 B12R1.121 CCCSc1cccnc1SC 62a_100011465278_100000210303 [0,1,0,0,0,0|2,1,0]=4 1543 B12R1.121 CCCSc1ccncc1CC 62a_100000210303_100025704421 [0,1,0,0,0,0|3,0,0]=4 1544 B12R1.121 CCCSc1ccncc1CC 62a_100025704421_100000210303 [0,1,0,0,0,0|3,0,0]=4 1545 B12R1.121 CCCSc1ccncc1OC 62a_100000210303_100016988167 [0,1,0,0,0,0|2,0,0]=3 1546 B12R1.121 CCCSc1ccncc1OC 62a_100016988167_100000210303 [0,1,0,0,0,0|2,0,0]=3 1547 B12R1.121 CCCSc1cnccc1CC 62a_100000210303_100009819861 [0,1,0,0,0,0|3,0,0]=4 1548 B12R1.121 CCCSc1cnccc1CC 62a_100009819861_100000210303 [0,1,0,0,0,0|3,0,0]=4 1549 B12R1.121 CCCSc1cnccc1NC 62a_100000210303_100010069531 [0,1,0,0,0,0|3,0,0]=4 1550 B12R1.121 CCCSc1cnccc1NC 62a_100010069531_100000210303 [0,1,0,0,0,0|3,0,0]=4 1551 B12R1.121 CCCSc1cnccc1OC 62a_100000210303_100011997281 [0,1,0,0,0,0|2,0,0]=3 1552 B12R1.121 CCCSc1cnccc1OC 62a_100011997281_100000210303 [0,1,0,0,0,0|2,0,0]=3 1553 B12R1.121 CCCSc1cncnc1OC 62a_100000210303_100000719902 [0,1,0,0,0,0|3,0,0]=4 1554 B12R1.121 CCCSc1cncnc1OC 62a_100000719902_100000210303 [0,1,0,0,0,0|3,0,0]=4 1555 B12R1.121 CCCSc1ncccc1NC 62a_100000210303_200011806188 [0,1,0,0,0,0|3,0,0]=4 1556 B12R1.121 CCCSc1ncccc1OC 62a_100000210303_100000690851 [0,1,0,0,0,0|2,0,0]=3 1557 B12R1.121 CCCSc1ncccc1OC 62a_100000767102_100000210303 [0,1,0,0,0,0|2,0,0]=3 1558 B12R1.121 CCCSc1nccnc1OC 62a_100000210303_100000749998 [0,1,0,0,0,0|3,0,0]=4 1559 B12R1.121 CCCSc1nccnc1OC 62a_100009858322_100000210303 [0,1,0,0,0,0|3,0,0]=4 1560 B12R1.121 CCCSc1ncncc1OC 62a_100000210303_100012001275 [0,1,0,0,0,0|3,0,0]=4 1561 B12R1.121 CCCSc1ncncc1OC 62a_100012001275_100000210303 [0,1,0,0,0,0|3,0,0]=4 1562 B12R1.121 CCNCc1ccccc1C#N 2230a_100015525214_100000181865 [0,1,0,0,0,0|3,0,0]=4 1563 B12R1.121 CCNCc1ccccc1C#N 34a_100016989011_100000210202 [0,1,0,0,0,0|3,0,0]=4 1564 B12R1.121 CCNCc1ccccc1C=O 2230a_100015525214_200009853537 [0,1,0,0,0,0|3,0,0]=4 1565 B12R1.121 CCNCc1ccccc1CC 207a_100015525214_100011219594 [0,1,0,0,0,0|2,0,0]=3 1566 B12R1.121 CCNCc1ccccc1CC 270004a_100015525214_100011219594 [0,1,0,0,0,0|2,0,0]=3 1567 B12R1.121 CCNCc1ccccc1CO 2230a_100015525214_100009816955 [0,1,0,0,0,0|3,0,0]=4 1568 B12R1.121 CCNCc1ccccc1OC 207a_100015525214_100000169842 [0,1,0,0,0,0|1,0,0]=2 1569 B12R1.121 CCNCc1ccccc1OC 2230a_100015525214_100000210004 [0,1,0,0,0,0|1,0,0]=2 1570 B12R1.121 CCNCc1ccccc1OC 270004a_100015525214_100000169842 [0,1,0,0,0,0|1,0,0]=2 1571 B12R1.121 CCNCc1ccccc1OC 34a_100000188900_100000210202 [0,1,0,0,0,0|1,0,0]=2 1572 B12R1.121 CCNCc1ccccc1SC 207a_100015525214_100011217347 [0,1,0,0,0,0|1,1,0]=3 1573 B12R1.121 CCNCc1ccccc1SC 2230a_100015525214_100000699184 [0,1,0,0,0,0|1,1,0]=3 1574 B12R1.121 CCNCc1ccccc1SC 270004a_100015525214_100011217347 [0,1,0,0,0,0|1,1,0]=3 1575 B12R1.121 CCNCc1ccccc1SC 34a_102495365025_100000210202 [0,1,0,0,0,0|1,1,0]=3 1576 B12R1.121 CCNCc1cccnc1OC 207a_100015525214_100011290804 [0,1,0,0,0,0|2,0,0]=3 1577 B12R1.121 CCNCc1cccnc1OC 2230a_100015525214_100020631285 [0,1,0,0,0,0|2,0,0]=3 1578 B12R1.121 CCNCc1cccnc1OC 270004a_100015525214_100011290804 [0,1,0,0,0,0|2,0,0]=3 1579 B12R1.121 CCNCc1ccncc1OC 207a_100015525214_100011361505 [0,1,0,0,0,0|2,0,0]=3 1580 B12R1.121 CCNCc1ccncc1OC 2230a_100015525214_100020635607 [0,1,0,0,0,0|2,0,0]=3 1581 B12R1.121 CCNCc1ccncc1OC 270004a_100015525214_100011361505 [0,1,0,0,0,0|2,0,0]=3 1582 B12R1.121 CCNCc1cnccc1OC 207a_100015525214_200011997045 [0,1,0,0,0,0|2,0,0]=3 1583 B12R1.121 CCNCc1cnccc1OC 270004a_100015525214_200011997045 [0,1,0,0,0,0|2,0,0]=3 1584 B12R1.121 CCNCc1ncccc1OC 207a_100015525214_100011912573 [0,1,0,0,0,0|2,0,0]=3 1585 B12R1.121 CCNCc1ncccc1OC 270004a_100015525214_100011912573 [0,1,0,0,0,0|2,0,0]=3 1586 B12R1.121 CCOCc1ccccc1C#N 34a_100121572206_100000181865 [0,1,0,0,0,0|3,0,0]=4 1587 B12R1.121 CCOCc1ccccc1C#N 34a_200011269968_100000210202 [0,1,0,0,0,0|3,0,0]=4 1588 B12R1.121 CCOCc1ccccc1C#N 7a_200011269968_100000210202 [0,1,0,0,0,0|3,0,0]=4 1589 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [0,1,0,0,0,0|3,0,0]=4 1590 B12R1.121 CCOCc1ccccc1CBr 34a_100009816955_100000210202 [0,1,0,0,0,0|3,0,0]=4 1591 B12R1.121 CCOCc1ccccc1CBr 7a_100009816955_100000210202 [0,1,0,0,0,0|3,0,0]=4 1592 B12R1.121 CCOCc1ccccc1CC 34a_100011663872_100000210202 [0,1,0,0,0,0|2,0,0]=3 1593 B12R1.121 CCOCc1ccccc1CC 7a_100011663872_100000210202 [0,1,0,0,0,0|2,0,0]=3 1594 B12R1.121 CCOCc1ccccc1CN 34a_100000743596_100000210202 [0,1,0,0,0,0|3,0,0]=4 1595 B12R1.121 CCOCc1ccccc1CO 34a_100121572206_100009816955 [0,1,0,0,0,0|3,0,0]=4 1596 B12R1.121 CCOCc1ccccc1OC 34a_100000211301_100000210202 [0,1,0,0,0,0|1,0,0]=2 1597 B12R1.121 CCOCc1ccccc1OC 34a_100121572206_100000210004 [0,1,0,0,0,0|1,0,0]=2 1598 B12R1.121 CCOCc1ccccc1SC 34a_100000699167_100000210202 [0,1,0,0,0,0|1,1,0]=3 1599 B12R1.121 CCOCc1ccccc1SC 34a_100121572206_100000699184 [0,1,0,0,0,0|1,1,0]=3 1600 B12R1.121 CCOCc1ccccc1SC 62a_200000210301_200011493690 [0,1,0,0,0,0|1,1,0]=3 1601 B12R1.121 CCOCc1ccccc1SC 62a_200011493690_200000210301 [0,1,0,0,0,0|1,1,0]=3 1602 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200011493690_200025704644 [0,1,0,0,0,0|1,1,0]=3 1603 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200025704644_200011493690 [0,1,0,0,0,0|1,1,0]=3 1604 B12R1.121 CCOCc1cccnc1OC 34a_100000717863_100000210202 [0,1,0,0,0,0|2,0,0]=3 1605 B12R1.121 CCOCc1cccnc1OC 34a_100121572206_100020631285 [0,1,0,0,0,0|2,0,0]=3 1606 B12R1.121 CCOCc1ncccc1OC 34a_100011998681_100000210202 [0,1,0,0,0,0|2,0,0]=3 1607 B12R1.121 CCSCc1ccccc1C#N 62a_100000186380_100000210202 [0,1,0,0,0,0|3,0,0]=4 1608 B12R1.121 CCSCc1ccccc1C#N 62a_100000210202_100000181865 [0,1,0,0,0,0|3,0,0]=4 1609 B12R1.121 CCSCc1ccccc1C=O 62a_100000210202_200009853537 [0,1,0,0,0,0|3,0,0]=4 1610 B12R1.121 CCSCc1ccccc1C=O 62a_200009853537_100000210202 [0,1,0,0,0,0|3,0,0]=4 1611 B12R1.121 CCSCc1ccccc1CO 62a_100000210202_100009816955 [0,1,0,0,0,0|3,0,0]=4 1612 B12R1.121 CCSCc1ccccc1CO 62a_100009816955_100000210202 [0,1,0,0,0,0|3,0,0]=4 1613 B12R1.121 CCSCc1ccccc1OC 62a_100000210004_100000210202 [0,1,0,0,0,0|1,0,0]=2 1614 B12R1.121 CCSCc1ccccc1OC 62a_100000210202_100000210004 [0,1,0,0,0,0|1,0,0]=2 1615 B12R1.121 CCSCc1ccccc1SC 62a_100000210202_100000699184 [0,1,0,0,0,0|1,1,0]=3 1616 B12R1.121 CCSCc1ccccc1SC 62a_100000699184_100000210202 [0,1,0,0,0,0|1,1,0]=3 1617 B12R1.121 CCSCc1ccccc1SC 62a_200000173030_200000210301 [0,1,0,0,0,0|1,1,0]=3 1618 B12R1.121 CCSCc1ccccc1SC 62a_200000210301_200000173030 [0,1,0,0,0,0|1,1,0]=3 1619 B12R1.121 CCSCc1ccccc1S[13CH3] 62a_200000173030_200025704644 [0,1,0,0,0,0|1,1,0]=3 1620 B12R1.121 CCSCc1ccccc1S[13CH3] 62a_200025704644_200000173030 [0,1,0,0,0,0|1,1,0]=3 1621 B12R1.121 CCSCc1cccnc1OC 62a_100000210202_100020631285 [0,1,0,0,0,0|2,0,0]=3 1622 B12R1.121 CCSCc1cccnc1OC 62a_100020631285_100000210202 [0,1,0,0,0,0|2,0,0]=3 1623 B12R1.121 CCSCc1ccncc1OC 62a_100000210202_100020635607 [0,1,0,0,0,0|2,0,0]=3 1624 B12R1.121 CCSCc1ccncc1OC 62a_100020635607_100000210202 [0,1,0,0,0,0|2,0,0]=3 1625 B12R1.121 CCc1ccccc1CCNC 2230a_100011663701_200000210301 [0,1,0,0,0,0|1,0,0]=2 1626 B12R1.121 CCc1ccccc1CCNC 34a_100011663701_200000210301 [0,1,0,0,0,0|1,0,0]=2 1627 B12R1.121 CCc1ccccc1CCN[13CH3] 2230a_100011663701_200025704644 [0,1,0,0,0,0|1,0,0]=2 1628 B12R1.121 CCc1ccccc1CCN[13CH3] 34a_100011663701_200025704644 [0,1,0,0,0,0|1,0,0]=2 1629 B12R1.121 CCc1ccccc1COCF 34a_100011663872_100015361967 [0,1,0,0,0,0|2,0,0]=3 1630 B12R1.121 CCc1ccccc1COCF 7a_100011663872_100015361967 [0,1,0,0,0,0|2,0,0]=3 1631 B12R1.121 CCc1ccccc1NCC#N 2230a_100000212081_100011215382 [0,1,0,0,0,0|1,0,2]=4 1632 B12R1.121 CCc1ccccc1NCC#N 7a_100000212081_100011215382 [0,1,0,0,0,0|1,0,2]=4 1633 B12R1.121 CCc1ccccc1NCC=O 2230a_100000212081_200015260668 [0,1,0,0,0,0|2,0,1]=4 1634 B12R1.121 CCc1ccccc1NCC=O 34a_100000212081_200009817547 [0,1,0,0,0,0|2,0,1]=4 1635 B12R1.121 CCc1ccccc1NCC=O 7a_100000212081_200015260668 [0,1,0,0,0,0|2,0,1]=4 1636 B12R1.121 CCc1ccccc1NCCF 2230a_100000212081_100011217306 [0,1,0,0,0,0|2,0,0]=3 1637 B12R1.121 CCc1ccccc1NCCF 34a_100000212081_100011217306 [0,1,0,0,0,0|2,0,0]=3 1638 B12R1.121 CCc1ccccc1NCCF 7a_100000212081_100011217306 [0,1,0,0,0,0|2,0,0]=3 1639 B12R1.121 CCc1ccccc1NCCO 2230a_100000212081_100000211926 [0,1,0,0,0,0|2,0,0]=3 1640 B12R1.121 CCc1ccccc1NCCO 34a_100000212081_100000211926 [0,1,0,0,0,0|2,0,0]=3 1641 B12R1.121 CCc1ccccc1NCCO 7a_100000212081_100000211926 [0,1,0,0,0,0|2,0,0]=3 1642 B12R1.121 CCc1ccccc1NCOC 2230a_100000212081_100000766300 [0,1,0,0,0,0|3,0,0]=4 1643 B12R1.121 CCc1ccccc1NCSC 2230a_100000212081_100011218213 [0,1,0,0,0,0|3,0,0]=4 1644 B12R1.121 CCc1ccccc1NCSC 34a_100000212081_100011218213 [0,1,0,0,0,0|3,0,0]=4 1645 B12R1.121 CCc1ccccc1OCC#N 7a_100000210936_100011215382 [0,1,0,0,0,0|1,0,2]=4 1646 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,1,0,0,0,0|2,0,1]=4 1647 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,1,0,0,0,0|2,0,1]=4 1648 B12R1.121 CCc1ccccc1OCCF 34a_100000210936_100011217306 [0,1,0,0,0,0|2,0,0]=3 1649 B12R1.121 CCc1ccccc1OCCF 7a_100000210936_100011217306 [0,1,0,0,0,0|2,0,0]=3 1650 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [0,1,0,0,0,0|2,0,0]=3 1651 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [0,1,0,0,0,0|2,0,0]=3 1652 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [0,1,0,0,0,0|3,0,0]=4 1653 B12R1.121 CCc1ccccc1SCC#N 62a_100011215382_100011215823 [0,1,0,0,0,0|1,0,2]=4 1654 B12R1.121 CCc1ccccc1SCC#N 62a_100011215823_100011215382 [0,1,0,0,0,0|1,0,2]=4 1655 B12R1.121 CCc1ccccc1SCC=O 62a_100011215823_200015260668 [0,1,0,0,0,0|2,0,1]=4 1656 B12R1.121 CCc1ccccc1SCC=O 62a_200015260668_100011215823 [0,1,0,0,0,0|2,0,1]=4 1657 B12R1.121 CCc1ccccc1SCCF 62a_100011215823_100011217306 [0,1,0,0,0,0|2,0,0]=3 1658 B12R1.121 CCc1ccccc1SCCF 62a_100011217306_100011215823 [0,1,0,0,0,0|2,0,0]=3 1659 B12R1.121 CCc1ccccc1SCCO 62a_100000211926_100011215823 [0,1,0,0,0,0|2,0,0]=3 1660 B12R1.121 CCc1ccccc1SCCO 62a_100011215823_100000211926 [0,1,0,0,0,0|2,0,0]=3 1661 B12R1.121 CCc1ccccc1SCOC 62a_100000766300_100011215823 [0,1,0,0,0,0|3,0,0]=4 1662 B12R1.121 CCc1ccccc1SCOC 62a_100011215823_100000766300 [0,1,0,0,0,0|3,0,0]=4 1663 B12R1.121 CCc1ccccc1SCSC 62a_100011215823_100011218213 [0,1,0,0,0,0|3,0,0]=4 1664 B12R1.121 CCc1ccccc1SCSC 62a_100011218213_100011215823 [0,1,0,0,0,0|3,0,0]=4 1665 B12R1.121 CCc1ccncc1SCCF 62a_100009819861_100011217306 [0,1,0,0,0,0|3,0,0]=4 1666 B12R1.121 CCc1ccncc1SCCF 62a_100011217306_100009819861 [0,1,0,0,0,0|3,0,0]=4 1667 B12R1.121 CCc1ccncc1SCCO 62a_100000211926_100009819861 [0,1,0,0,0,0|3,0,0]=4 1668 B12R1.121 CCc1ccncc1SCCO 62a_100009819861_100000211926 [0,1,0,0,0,0|3,0,0]=4 1669 B12R1.121 CCc1cnccc1SCCF 62a_100011217306_100025704421 [0,1,0,0,0,0|3,0,0]=4 1670 B12R1.121 CCc1cnccc1SCCF 62a_100025704421_100011217306 [0,1,0,0,0,0|3,0,0]=4 1671 B12R1.121 CCc1cnccc1SCCO 62a_100000211926_100025704421 [0,1,0,0,0,0|3,0,0]=4 1672 B12R1.121 CCc1cnccc1SCCO 62a_100025704421_100000211926 [0,1,0,0,0,0|3,0,0]=4 1673 B12R1.121 CCc1ncccc1SCCF 62a_100009877225_100011217306 [0,1,0,0,0,0|3,0,0]=4 1674 B12R1.121 CCc1ncccc1SCCF 62a_100011217306_100009877225 [0,1,0,0,0,0|3,0,0]=4 1675 B12R1.121 CCc1ncccc1SCCO 62a_100000211926_100009877225 [0,1,0,0,0,0|3,0,0]=4 1676 B12R1.121 CCc1ncccc1SCCO 62a_100009877225_100000211926 [0,1,0,0,0,0|3,0,0]=4 1677 B12R1.121 CNCCc1ccccc1C#N 2230a_106832991635_200013032965 [0,1,0,0,0,0|2,0,0]=3 1678 B12R1.121 CNCCc1ccccc1C#N 34a_100102657272_200013032965 [0,1,0,0,0,0|2,0,0]=3 1679 B12R1.121 CNCCc1ccccc1C#N 7a_106832991635_200013032965 [0,1,0,0,0,0|2,0,0]=3 1680 B12R1.121 CNCCc1ccccc1C=O 2230a_106832991635_100010186698 [0,1,0,0,0,0|2,0,0]=3 1681 B12R1.121 CNCCc1ccccc1C=O 34a_100102657272_100010186698 [0,1,0,0,0,0|2,0,0]=3 1682 B12R1.121 CNCCc1ccccc1C=O 7a_106832991635_100010186698 [0,1,0,0,0,0|2,0,0]=3 1683 B12R1.121 CNCCc1ccccc1OC 2230a_100000211851_200000210301 [0,1,0,0,0,0|0,0,0]=1 1684 B12R1.121 CNCCc1ccccc1OC 2230a_106832991635_100011713687 [0,1,0,0,0,0|0,0,0]=1 1685 B12R1.121 CNCCc1ccccc1OC 270004a_106832991635_100011713418 [0,1,0,0,0,0|0,0,0]=1 1686 B12R1.121 CNCCc1ccccc1OC 34a_100000211851_200000210301 [0,1,0,0,0,0|0,0,0]=1 1687 B12R1.121 CNCCc1ccccc1OC 34a_100102657272_100011713687 [0,1,0,0,0,0|0,0,0]=1 1688 B12R1.121 CNCCc1ccccc1OC 7a_106832991635_100011713687 [0,1,0,0,0,0|0,0,0]=1 1689 B12R1.121 CNCCc1ccccc1[Pd]Cl 2230a_106741704370_200000210301 [0,1,0,0,0,0|2,0,0]=3 1690 B12R1.121 CNCCc1ccccc1[Pd]Cl 34a_106741704370_200000210301 [0,1,0,0,0,0|2,0,0]=3 1691 B12R1.121 CNCCc1ccccc1[Pd]Cl 7a_106741704370_200000210301 [0,1,0,0,0,0|2,0,0]=3 1692 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,1,0,0,0,0|2,0,1]=4 1693 B12R1.121 CNc1ccccc1OCCF 34a_100000033821_100011217306 [0,1,0,0,0,0|2,0,0]=3 1694 B12R1.121 CNc1ccccc1OCCF 34a_100012000959_200000210301 [0,1,0,0,0,0|2,0,0]=3 1695 B12R1.121 CNc1ccccc1OCCO 34a_100000033821_100000211926 [0,1,0,0,0,0|2,0,0]=3 1696 B12R1.121 CNc1ccccc1OCCO 34a_100132302172_200000210301 [0,1,0,0,0,0|2,0,0]=3 1697 B12R1.121 CNc1ccccc1OCSC 34a_100000033821_100011218213 [0,1,0,0,0,0|3,0,0]=4 1698 B12R1.121 CNc1ccccc1SCC#N 62a_100011215382_100020606079 [0,1,0,0,0,0|1,0,2]=4 1699 B12R1.121 CNc1ccccc1SCC#N 62a_100020606079_100011215382 [0,1,0,0,0,0|1,0,2]=4 1700 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [0,1,0,0,0,0|2,0,1]=4 1701 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [0,1,0,0,0,0|2,0,1]=4 1702 B12R1.121 CNc1ccccc1SCCF 62a_100011217306_100020606079 [0,1,0,0,0,0|2,0,0]=3 1703 B12R1.121 CNc1ccccc1SCCF 62a_100020606079_100011217306 [0,1,0,0,0,0|2,0,0]=3 1704 B12R1.121 CNc1ccccc1SCCO 62a_100000211926_100020606079 [0,1,0,0,0,0|2,0,0]=3 1705 B12R1.121 CNc1ccccc1SCCO 62a_100020606079_100000211926 [0,1,0,0,0,0|2,0,0]=3 1706 B12R1.121 CNc1ccccc1SCOC 62a_100000766300_100020606079 [0,1,0,0,0,0|3,0,0]=4 1707 B12R1.121 CNc1ccccc1SCOC 62a_100020606079_100000766300 [0,1,0,0,0,0|3,0,0]=4 1708 B12R1.121 CNc1ccccc1SCSC 62a_100011218213_100020606079 [0,1,0,0,0,0|3,0,0]=4 1709 B12R1.121 CNc1ccccc1SCSC 62a_100020606079_100011218213 [0,1,0,0,0,0|3,0,0]=4 1710 B12R1.121 CNc1cccnc1SCCF 62a_100011217306_200011806188 [0,1,0,0,0,0|3,0,0]=4 1711 B12R1.121 CNc1cccnc1SCCO 62a_100000211926_200011806188 [0,1,0,0,0,0|3,0,0]=4 1712 B12R1.121 CNc1ccncc1SCCF 62a_100010069531_100011217306 [0,1,0,0,0,0|3,0,0]=4 1713 B12R1.121 CNc1ccncc1SCCF 62a_100011217306_100010069531 [0,1,0,0,0,0|3,0,0]=4 1714 B12R1.121 CNc1ccncc1SCCO 62a_100000211926_100010069531 [0,1,0,0,0,0|3,0,0]=4 1715 B12R1.121 CNc1ccncc1SCCO 62a_100010069531_100000211926 [0,1,0,0,0,0|3,0,0]=4 1716 B12R1.121 CNc1ncccc1OCCF 27a_100102657272_100012814765 [0,1,0,0,0,0|3,0,0]=4 1717 B12R1.121 CNc1ncccc1SCCF 62a_100000700899_100011217306 [0,1,0,0,0,0|3,0,0]=4 1718 B12R1.121 CNc1ncccc1SCCF 62a_100011217306_100000700899 [0,1,0,0,0,0|3,0,0]=4 1719 B12R1.121 CNc1ncccc1SCCO 62a_100000211926_100000700899 [0,1,0,0,0,0|3,0,0]=4 1720 B12R1.121 CNc1ncccc1SCCO 62a_100000700899_100000211926 [0,1,0,0,0,0|3,0,0]=4 1721 B12R1.121 COCCc1ccccc1C#N 34a_100138415774_200013032965 [0,1,0,0,0,0|3,0,0]=4 1722 B12R1.121 COCCc1ccccc1C=O 34a_100138415774_100010186698 [0,1,0,0,0,0|3,0,0]=4 1723 B12R1.121 COCCc1ccccc1OC 34a_100000722730_200000210301 [0,1,0,0,0,0|1,0,0]=2 1724 B12R1.121 COCCc1ccccc1OC 34a_100011218620_200000210301 [0,1,0,0,0,0|1,0,0]=2 1725 B12R1.121 COCCc1ccccc1OC 34a_100138415774_100011713687 [0,1,0,0,0,0|1,0,0]=2 1726 B12R1.121 COCCc1ccccc1OC 7a_100000722730_200000210301 [0,1,0,0,0,0|1,0,0]=2 1727 B12R1.121 COCCc1ccccc1OC 7a_100011218620_200000210301 [0,1,0,0,0,0|1,0,0]=2 1728 B12R1.121 COCCc1ccccc1O[13CH3] 34a_100000722730_200025704644 [0,1,0,0,0,0|1,0,0]=2 1729 B12R1.121 COCCc1ccccc1O[13CH3] 7a_100000722730_200025704644 [0,1,0,0,0,0|1,0,0]=2 1730 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [0,1,0,0,0,0|2,1,0]=4 1731 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [0,1,0,0,0,0|2,1,0]=4 1732 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [0,1,0,0,0,0|2,1,0]=4 1733 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [0,1,0,0,0,0|2,1,0]=4 1734 B12R1.121 COCSc1ccccc1OC 62a_100000210334_100000766300 [0,1,0,0,0,0|2,0,0]=3 1735 B12R1.121 COCSc1ccccc1OC 62a_100000766300_100000210334 [0,1,0,0,0,0|2,0,0]=3 1736 B12R1.121 COCSc1ccccc1SC 62a_100000766300_100011217816 [0,1,0,0,0,0|2,1,0]=4 1737 B12R1.121 COCSc1ccccc1SC 62a_100011217816_100000766300 [0,1,0,0,0,0|2,1,0]=4 1738 B12R1.121 COCSc1cccnc1OC 62a_100000047025_100000766300 [0,1,0,0,0,0|3,0,0]=4 1739 B12R1.121 COCSc1cccnc1OC 62a_100000766300_100000047025 [0,1,0,0,0,0|3,0,0]=4 1740 B12R1.121 COCSc1ccncc1OC 62a_100000766300_100016988167 [0,1,0,0,0,0|3,0,0]=4 1741 B12R1.121 COCSc1ccncc1OC 62a_100016988167_100000766300 [0,1,0,0,0,0|3,0,0]=4 1742 B12R1.121 COCSc1cnccc1OC 62a_100000766300_100011997281 [0,1,0,0,0,0|3,0,0]=4 1743 B12R1.121 COCSc1cnccc1OC 62a_100011997281_100000766300 [0,1,0,0,0,0|3,0,0]=4 1744 B12R1.121 COCSc1ncccc1OC 62a_100000766300_100000690851 [0,1,0,0,0,0|3,0,0]=4 1745 B12R1.121 COCSc1ncccc1OC 62a_100000767102_100000766300 [0,1,0,0,0,0|3,0,0]=4 1746 B12R1.121 COc1ccccc1CCN[13CH3] 2230a_100000211851_200025704644 [0,1,0,0,0,0|0,0,0]=1 1747 B12R1.121 COc1ccccc1CCN[13CH3] 34a_100000211851_200025704644 [0,1,0,0,0,0|0,0,0]=1 1748 B12R1.121 COc1ccccc1CCO[13CH3] 34a_100011218620_200025704644 [0,1,0,0,0,0|1,0,0]=2 1749 B12R1.121 COc1ccccc1CCO[13CH3] 7a_100011218620_200025704644 [0,1,0,0,0,0|1,0,0]=2 1750 B12R1.121 COc1ccccc1CCSC 62a_100011713687_200000210301 [0,1,0,0,0,0|1,0,0]=2 1751 B12R1.121 COc1ccccc1CCSC 62a_200000210301_100011713687 [0,1,0,0,0,0|1,0,0]=2 1752 B12R1.121 COc1ccccc1CCS[13CH3] 62a_100011713687_200025704644 [0,1,0,0,0,0|1,0,0]=2 1753 B12R1.121 COc1ccccc1CCS[13CH3] 62a_200025704644_100011713687 [0,1,0,0,0,0|1,0,0]=2 1754 B12R1.121 COc1ccccc1CNCF 34a_100000188900_100015361967 [0,1,0,0,0,0|1,0,0]=2 1755 B12R1.121 COc1ccccc1COCF 34a_100000211301_100015361967 [0,1,0,0,0,0|1,0,0]=2 1756 B12R1.121 COc1ccccc1CSCF 62a_100000210004_100015361967 [0,1,0,0,0,0|1,0,0]=2 1757 B12R1.121 COc1ccccc1CSCF 62a_100015361967_100000210004 [0,1,0,0,0,0|1,0,0]=2 1758 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [0,1,0,0,0,0|1,0,1]=3 1759 B12R1.121 COc1ccccc1NCCF 34a_100000210025_100011217306 [0,1,0,0,0,0|1,0,0]=2 1760 B12R1.121 COc1ccccc1NCCO 34a_100000210025_100000211926 [0,1,0,0,0,0|1,0,0]=2 1761 B12R1.121 COc1ccccc1NCSC 34a_100000210025_100011218213 [0,1,0,0,0,0|2,0,0]=3 1762 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [0,1,0,0,0,0|1,0,1]=3 1763 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [0,1,0,0,0,0|1,0,0]=2 1764 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [0,1,0,0,0,0|1,0,0]=2 1765 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [0,1,0,0,0,0|1,0,0]=2 1766 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [0,1,0,0,0,0|1,0,0]=2 1767 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [0,1,0,0,0,0|2,0,0]=3 1768 B12R1.121 COc1ccccc1SCC#N 62a_100000210334_100011215382 [0,1,0,0,0,0|0,0,2]=3 1769 B12R1.121 COc1ccccc1SCC#N 62a_100011215382_100000210334 [0,1,0,0,0,0|0,0,2]=3 1770 B12R1.121 COc1ccccc1SCC=O 62a_100000210334_200015260668 [0,1,0,0,0,0|1,0,1]=3 1771 B12R1.121 COc1ccccc1SCC=O 62a_200015260668_100000210334 [0,1,0,0,0,0|1,0,1]=3 1772 B12R1.121 COc1ccccc1SCCF 62a_100000210334_100011217306 [0,1,0,0,0,0|1,0,0]=2 1773 B12R1.121 COc1ccccc1SCCF 62a_100011217306_100000210334 [0,1,0,0,0,0|1,0,0]=2 1774 B12R1.121 COc1ccccc1SCCO 62a_100000210334_100000211926 [0,1,0,0,0,0|1,0,0]=2 1775 B12R1.121 COc1ccccc1SCCO 62a_100000211926_100000210334 [0,1,0,0,0,0|1,0,0]=2 1776 B12R1.121 COc1ccccc1SCSC 62a_100000210334_100011218213 [0,1,0,0,0,0|2,0,0]=3 1777 B12R1.121 COc1ccccc1SCSC 62a_100011218213_100000210334 [0,1,0,0,0,0|2,0,0]=3 1778 B12R1.121 COc1cccnc1COCF 34a_100011998681_100015361967 [0,1,0,0,0,0|2,0,0]=3 1779 B12R1.121 COc1cccnc1OCC=O 34a_100025773188_200009817547 [0,1,0,0,0,0|2,0,1]=4 1780 B12R1.121 COc1cccnc1OCCF 34a_100025773188_100011217306 [0,1,0,0,0,0|2,0,0]=3 1781 B12R1.121 COc1cccnc1OCCO 34a_100025773188_100000211926 [0,1,0,0,0,0|2,0,0]=3 1782 B12R1.121 COc1cccnc1OCSC 34a_100025773188_100011218213 [0,1,0,0,0,0|3,0,0]=4 1783 B12R1.121 COc1cccnc1SCC#N 62a_100000767102_100011215382 [0,1,0,0,0,0|1,0,2]=4 1784 B12R1.121 COc1cccnc1SCC#N 62a_100011215382_100000690851 [0,1,0,0,0,0|1,0,2]=4 1785 B12R1.121 COc1cccnc1SCC=O 62a_100000767102_200015260668 [0,1,0,0,0,0|2,0,1]=4 1786 B12R1.121 COc1cccnc1SCC=O 62a_200015260668_100000690851 [0,1,0,0,0,0|2,0,1]=4 1787 B12R1.121 COc1cccnc1SCCF 62a_100000767102_100011217306 [0,1,0,0,0,0|2,0,0]=3 1788 B12R1.121 COc1cccnc1SCCF 62a_100011217306_100000690851 [0,1,0,0,0,0|2,0,0]=3 1789 B12R1.121 COc1cccnc1SCCO 62a_100000211926_100000690851 [0,1,0,0,0,0|2,0,0]=3 1790 B12R1.121 COc1cccnc1SCCO 62a_100000767102_100000211926 [0,1,0,0,0,0|2,0,0]=3 1791 B12R1.121 COc1cccnc1SCSC 62a_100000767102_100011218213 [0,1,0,0,0,0|3,0,0]=4 1792 B12R1.121 COc1cccnc1SCSC 62a_100011218213_100000690851 [0,1,0,0,0,0|3,0,0]=4 1793 B12R1.121 COc1ccncc1OCC=O 34a_100000101186_200009817547 [0,1,0,0,0,0|2,0,1]=4 1794 B12R1.121 COc1ccncc1OCCF 34a_100000101186_100011217306 [0,1,0,0,0,0|2,0,0]=3 1795 B12R1.121 COc1ccncc1OCCO 34a_100000101186_100000211926 [0,1,0,0,0,0|2,0,0]=3 1796 B12R1.121 COc1ccncc1OCSC 34a_100000101186_100011218213 [0,1,0,0,0,0|3,0,0]=4 1797 B12R1.121 COc1ccncc1SCC#N 62a_100011215382_100011997281 [0,1,0,0,0,0|1,0,2]=4 1798 B12R1.121 COc1ccncc1SCC#N 62a_100011997281_100011215382 [0,1,0,0,0,0|1,0,2]=4 1799 B12R1.121 COc1ccncc1SCC=O 62a_100011997281_200015260668 [0,1,0,0,0,0|2,0,1]=4 1800 B12R1.121 COc1ccncc1SCC=O 62a_200015260668_100011997281 [0,1,0,0,0,0|2,0,1]=4 1801 B12R1.121 COc1ccncc1SCCF 62a_100011217306_100011997281 [0,1,0,0,0,0|2,0,0]=3 1802 B12R1.121 COc1ccncc1SCCF 62a_100011997281_100011217306 [0,1,0,0,0,0|2,0,0]=3 1803 B12R1.121 COc1ccncc1SCCO 62a_100000211926_100011997281 [0,1,0,0,0,0|2,0,0]=3 1804 B12R1.121 COc1ccncc1SCCO 62a_100011997281_100000211926 [0,1,0,0,0,0|2,0,0]=3 1805 B12R1.121 COc1ccncc1SCSC 62a_100011218213_100011997281 [0,1,0,0,0,0|3,0,0]=4 1806 B12R1.121 COc1ccncc1SCSC 62a_100011997281_100011218213 [0,1,0,0,0,0|3,0,0]=4 1807 B12R1.121 COc1cnccc1CSCF 62a_100015361967_100020635607 [0,1,0,0,0,0|2,0,0]=3 1808 B12R1.121 COc1cnccc1CSCF 62a_100020635607_100015361967 [0,1,0,0,0,0|2,0,0]=3 1809 B12R1.121 COc1cnccc1SCC#N 62a_100011215382_100016988167 [0,1,0,0,0,0|1,0,2]=4 1810 B12R1.121 COc1cnccc1SCC#N 62a_100016988167_100011215382 [0,1,0,0,0,0|1,0,2]=4 1811 B12R1.121 COc1cnccc1SCC=O 62a_100016988167_200015260668 [0,1,0,0,0,0|2,0,1]=4 1812 B12R1.121 COc1cnccc1SCC=O 62a_200015260668_100016988167 [0,1,0,0,0,0|2,0,1]=4 1813 B12R1.121 COc1cnccc1SCCF 62a_100011217306_100016988167 [0,1,0,0,0,0|2,0,0]=3 1814 B12R1.121 COc1cnccc1SCCF 62a_100016988167_100011217306 [0,1,0,0,0,0|2,0,0]=3 1815 B12R1.121 COc1cnccc1SCCO 62a_100000211926_100016988167 [0,1,0,0,0,0|2,0,0]=3 1816 B12R1.121 COc1cnccc1SCCO 62a_100016988167_100000211926 [0,1,0,0,0,0|2,0,0]=3 1817 B12R1.121 COc1cnccc1SCSC 62a_100011218213_100016988167 [0,1,0,0,0,0|3,0,0]=4 1818 B12R1.121 COc1cnccc1SCSC 62a_100016988167_100011218213 [0,1,0,0,0,0|3,0,0]=4 1819 B12R1.121 COc1cncnc1NCCO 27a_100000210304_100012001275 [0,1,0,0,0,0|3,0,0]=4 1820 B12R1.121 COc1cncnc1SCCF 62a_100011217306_100012001275 [0,1,0,0,0,0|3,0,0]=4 1821 B12R1.121 COc1cncnc1SCCF 62a_100012001275_100011217306 [0,1,0,0,0,0|3,0,0]=4 1822 B12R1.121 COc1cncnc1SCCO 62a_100000211926_100012001275 [0,1,0,0,0,0|3,0,0]=4 1823 B12R1.121 COc1cncnc1SCCO 62a_100012001275_100000211926 [0,1,0,0,0,0|3,0,0]=4 1824 B12R1.121 COc1ncccc1COCF 34a_100000717863_100015361967 [0,1,0,0,0,0|2,0,0]=3 1825 B12R1.121 COc1ncccc1CSCF 62a_100015361967_100020631285 [0,1,0,0,0,0|2,0,0]=3 1826 B12R1.121 COc1ncccc1CSCF 62a_100020631285_100015361967 [0,1,0,0,0,0|2,0,0]=3 1827 B12R1.121 COc1ncccc1OCC#N 7a_100000698397_100011215382 [0,1,0,0,0,0|1,0,2]=4 1828 B12R1.121 COc1ncccc1OCC=O 34a_100000698397_200009817547 [0,1,0,0,0,0|2,0,1]=4 1829 B12R1.121 COc1ncccc1OCC=O 7a_100000698397_200015260668 [0,1,0,0,0,0|2,0,1]=4 1830 B12R1.121 COc1ncccc1OCCF 34a_100000698397_100011217306 [0,1,0,0,0,0|2,0,0]=3 1831 B12R1.121 COc1ncccc1OCCF 7a_100000698397_100011217306 [0,1,0,0,0,0|2,0,0]=3 1832 B12R1.121 COc1ncccc1OCCO 34a_100000698397_100000211926 [0,1,0,0,0,0|2,0,0]=3 1833 B12R1.121 COc1ncccc1OCCO 7a_100000698397_100000211926 [0,1,0,0,0,0|2,0,0]=3 1834 B12R1.121 COc1ncccc1OCSC 34a_100000698397_100011218213 [0,1,0,0,0,0|3,0,0]=4 1835 B12R1.121 COc1ncccc1SCC#N 62a_100000047025_100011215382 [0,1,0,0,0,0|1,0,2]=4 1836 B12R1.121 COc1ncccc1SCC#N 62a_100011215382_100000047025 [0,1,0,0,0,0|1,0,2]=4 1837 B12R1.121 COc1ncccc1SCC=O 62a_100000047025_200015260668 [0,1,0,0,0,0|2,0,1]=4 1838 B12R1.121 COc1ncccc1SCC=O 62a_200015260668_100000047025 [0,1,0,0,0,0|2,0,1]=4 1839 B12R1.121 COc1ncccc1SCCF 62a_100000047025_100011217306 [0,1,0,0,0,0|2,0,0]=3 1840 B12R1.121 COc1ncccc1SCCF 62a_100011217306_100000047025 [0,1,0,0,0,0|2,0,0]=3 1841 B12R1.121 COc1ncccc1SCCO 62a_100000047025_100000211926 [0,1,0,0,0,0|2,0,0]=3 1842 B12R1.121 COc1ncccc1SCCO 62a_100000211926_100000047025 [0,1,0,0,0,0|2,0,0]=3 1843 B12R1.121 COc1ncccc1SCSC 62a_100000047025_100011218213 [0,1,0,0,0,0|3,0,0]=4 1844 B12R1.121 COc1ncccc1SCSC 62a_100011218213_100000047025 [0,1,0,0,0,0|3,0,0]=4 1845 B12R1.121 COc1nccnc1NCCO 27a_100000210304_100009858322 [0,1,0,0,0,0|3,0,0]=4 1846 B12R1.121 COc1nccnc1SCCF 62a_100009858322_100011217306 [0,1,0,0,0,0|3,0,0]=4 1847 B12R1.121 COc1nccnc1SCCF 62a_100011217306_100000749998 [0,1,0,0,0,0|3,0,0]=4 1848 B12R1.121 COc1nccnc1SCCO 62a_100000211926_100000749998 [0,1,0,0,0,0|3,0,0]=4 1849 B12R1.121 COc1nccnc1SCCO 62a_100009858322_100000211926 [0,1,0,0,0,0|3,0,0]=4 1850 B12R1.121 COc1ncncc1SCCF 62a_100000719902_100011217306 [0,1,0,0,0,0|3,0,0]=4 1851 B12R1.121 COc1ncncc1SCCF 62a_100011217306_100000719902 [0,1,0,0,0,0|3,0,0]=4 1852 B12R1.121 COc1ncncc1SCCO 62a_100000211926_100000719902 [0,1,0,0,0,0|3,0,0]=4 1853 B12R1.121 COc1ncncc1SCCO 62a_100000719902_100000211926 [0,1,0,0,0,0|3,0,0]=4 1854 B12R1.121 CSCCc1ccccc1C#N 62a_200000210301_200013032965 [0,1,0,0,0,0|3,0,0]=4 1855 B12R1.121 CSCCc1ccccc1C=O 62a_100010186698_200000210301 [0,1,0,0,0,0|3,0,0]=4 1856 B12R1.121 CSCCc1ccccc1C=O 62a_200000210301_100010186698 [0,1,0,0,0,0|3,0,0]=4 1857 B12R1.121 CSCNc1ccccc1SC 34a_100000211160_100011218213 [0,1,0,0,0,0|2,1,0]=4 1858 B12R1.121 CSCOc1ccccc1SC 34a_100011216402_100011218213 [0,1,0,0,0,0|2,1,0]=4 1859 B12R1.121 CSCSc1ccccc1SC 62a_100011217816_100011218213 [0,1,0,0,0,0|2,1,0]=4 1860 B12R1.121 CSCSc1ccccc1SC 62a_100011218213_100011217816 [0,1,0,0,0,0|2,1,0]=4 1861 B12R1.121 CSc1ccccc1C#CCO 62a_100009814404_200000210301 [0,1,0,0,0,0|1,1,1]=4 1862 B12R1.121 CSc1ccccc1C#CCO 62a_200000210301_100009814404 [0,1,0,0,0,0|1,1,1]=4 1863 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,1,0,0,0,0|1,1,0]=3 1864 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,1,0,0,0,0|1,1,0]=3 1865 B12R1.121 CSc1ccccc1CCCO 62a_100000699526_200000210301 [0,1,0,0,0,0|1,1,0]=3 1866 B12R1.121 CSc1ccccc1CCCO 62a_200000210301_100000699526 [0,1,0,0,0,0|1,1,0]=3 1867 B12R1.121 CSc1ccccc1CNCF 34a_102495365025_100015361967 [0,1,0,0,0,0|1,1,0]=3 1868 B12R1.121 CSc1ccccc1COCF 34a_100000699167_100015361967 [0,1,0,0,0,0|1,1,0]=3 1869 B12R1.121 CSc1ccccc1CSC#N 62a_200000210301_200010199460 [0,1,0,0,0,0|0,1,2]=4 1870 B12R1.121 CSc1ccccc1CSC#N 62a_200010199460_200000210301 [0,1,0,0,0,0|0,1,2]=4 1871 B12R1.121 CSc1ccccc1CSCF 62a_100000699184_100015361967 [0,1,0,0,0,0|1,1,0]=3 1872 B12R1.121 CSc1ccccc1CSCF 62a_100015361967_100000699184 [0,1,0,0,0,0|1,1,0]=3 1873 B12R1.121 CSc1ccccc1NCC=O 34a_100000211160_200009817547 [0,1,0,0,0,0|1,1,1]=4 1874 B12R1.121 CSc1ccccc1NCCF 34a_100000211160_100011217306 [0,1,0,0,0,0|1,1,0]=3 1875 B12R1.121 CSc1ccccc1NCCO 34a_100000211160_100000211926 [0,1,0,0,0,0|1,1,0]=3 1876 B12R1.121 CSc1ccccc1OCC#N 62a_200000173881_200000210301 [0,1,0,0,0,0|0,1,2]=4 1877 B12R1.121 CSc1ccccc1OCC#N 62a_200000210301_200000173881 [0,1,0,0,0,0|0,1,2]=4 1878 B12R1.121 CSc1ccccc1OCC=O 34a_100011216402_200009817547 [0,1,0,0,0,0|1,1,1]=4 1879 B12R1.121 CSc1ccccc1OCCF 34a_100011216402_100011217306 [0,1,0,0,0,0|1,1,0]=3 1880 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [0,1,0,0,0,0|0,1,0]=2 1881 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [0,1,0,0,0,0|0,1,0]=2 1882 B12R1.121 CSc1ccccc1OCCO 34a_100011216402_100000211926 [0,1,0,0,0,0|1,1,0]=3 1883 B12R1.121 CSc1ccccc1OCCO 62a_100000230753_200000210301 [0,1,0,0,0,0|1,1,0]=3 1884 B12R1.121 CSc1ccccc1OCCO 62a_200000210301_100000230753 [0,1,0,0,0,0|1,1,0]=3 1885 B12R1.121 CSc1ccccc1SCC#N 62a_100011215382_100011217816 [0,1,0,0,0,0|0,1,2]=4 1886 B12R1.121 CSc1ccccc1SCC#N 62a_100011217816_100011215382 [0,1,0,0,0,0|0,1,2]=4 1887 B12R1.121 CSc1ccccc1SCC=O 62a_100011217816_200015260668 [0,1,0,0,0,0|1,1,1]=4 1888 B12R1.121 CSc1ccccc1SCC=O 62a_200015260668_100011217816 [0,1,0,0,0,0|1,1,1]=4 1889 B12R1.121 CSc1ccccc1SCCF 62a_100011217306_100011217816 [0,1,0,0,0,0|1,1,0]=3 1890 B12R1.121 CSc1ccccc1SCCF 62a_100011217816_100011217306 [0,1,0,0,0,0|1,1,0]=3 1891 B12R1.121 CSc1ccccc1SCCO 62a_100000211926_100011217816 [0,1,0,0,0,0|1,1,0]=3 1892 B12R1.121 CSc1ccccc1SCCO 62a_100011217816_100000211926 [0,1,0,0,0,0|1,1,0]=3 1893 B12R1.121 CSc1ccccc1SCCO 62a_200000210301_200000230852 [0,1,0,0,0,0|1,1,0]=3 1894 B12R1.121 CSc1ccccc1SCCO 62a_200000230852_200000210301 [0,1,0,0,0,0|1,1,0]=3 1895 B12R1.121 CSc1cccnc1NCCO 62a_200000210301_200011464885 [0,1,0,0,0,0|2,1,0]=4 1896 B12R1.121 CSc1cccnc1NCCO 62a_200011464885_200000210301 [0,1,0,0,0,0|2,1,0]=4 1897 B12R1.121 CSc1ncccc1OCCF 62a_100012814765_200000210301 [0,1,0,0,0,0|2,1,0]=4 1898 B12R1.121 CSc1ncccc1OCCF 62a_200000210301_100012814765 [0,1,0,0,0,0|2,1,0]=4 1899 B12R1.121 CSc1ncccc1SCCF 62a_100011217306_100011465278 [0,1,0,0,0,0|2,1,0]=4 1900 B12R1.121 CSc1ncccc1SCCF 62a_100011465278_100011217306 [0,1,0,0,0,0|2,1,0]=4 1901 B12R1.121 CSc1ncccc1SCCO 62a_100000211926_100011465278 [0,1,0,0,0,0|2,1,0]=4 1902 B12R1.121 CSc1ncccc1SCCO 62a_100011465278_100000211926 [0,1,0,0,0,0|2,1,0]=4 1903 B12R1.121 FCOCc1ccccc1CBr 34a_100009816955_100015361967 [0,1,0,0,0,0|3,0,0]=4 1904 B12R1.121 FCOCc1ccccc1CBr 7a_100009816955_100015361967 [0,1,0,0,0,0|3,0,0]=4 1905 B12R1.121 N#Cc1ccccc1CNCF 34a_100016989011_100015361967 [0,1,0,0,0,0|3,0,0]=4 1906 B12R1.121 N#Cc1ccccc1COCF 34a_200011269968_100015361967 [0,1,0,0,0,0|3,0,0]=4 1907 B12R1.121 N#Cc1ccccc1COCF 7a_200011269968_100015361967 [0,1,0,0,0,0|3,0,0]=4 1908 B12R1.121 N#Cc1ccccc1CSCF 62a_100000186380_100015361967 [0,1,0,0,0,0|3,0,0]=4 1909 B12R1.121 N#Cc1ccccc1CSCF 62a_100015361967_100000181865 [0,1,0,0,0,0|3,0,0]=4 1910 B12R1.121 N#Cc1ccccc1NCCF 34a_100000211148_100011217306 [0,1,0,0,0,0|3,0,0]=4 1911 B12R1.121 N#Cc1ccccc1NCCO 34a_100000211148_100000211926 [0,1,0,0,0,0|3,0,0]=4 1912 B12R1.121 N#Cc1ccccc1OCCF 34a_100000211048_100011217306 [0,1,0,0,0,0|3,0,0]=4 1913 B12R1.121 N#Cc1ccccc1OCCF 7a_100000211048_100011217306 [0,1,0,0,0,0|3,0,0]=4 1914 B12R1.121 N#Cc1ccccc1OCCO 34a_100000211048_100000211926 [0,1,0,0,0,0|3,0,0]=4 1915 B12R1.121 N#Cc1ccccc1OCCO 7a_100000211048_100000211926 [0,1,0,0,0,0|3,0,0]=4 1916 B12R1.121 N#Cc1ccccc1SCCF 62a_100011217306_100000188569 [0,1,0,0,0,0|3,0,0]=4 1917 B12R1.121 N#Cc1ccccc1SCCO 62a_100000211926_100000188569 [0,1,0,0,0,0|3,0,0]=4 1918 B12R1.121 NCc1ccccc1COCF 34a_100000743596_100015361967 [0,1,0,0,0,0|3,0,0]=4 1919 B12R1.121 NCc1ccccc1OCCF 34a_100000185550_100011217306 [0,1,0,0,0,0|3,0,0]=4 1920 B12R1.121 NCc1ccccc1OCCO 34a_100000185550_100000211926 [0,1,0,0,0,0|3,0,0]=4 1921 B12R1.121 NCc1ccccc1SCCF 62a_100000689332_100011217306 [0,1,0,0,0,0|3,0,0]=4 1922 B12R1.121 NCc1ccccc1SCCF 62a_100011217306_100000689332 [0,1,0,0,0,0|3,0,0]=4 1923 B12R1.121 NCc1ccccc1SCCO 62a_100000211926_100000689332 [0,1,0,0,0,0|3,0,0]=4 1924 B12R1.121 NCc1ccccc1SCCO 62a_100000689332_100000211926 [0,1,0,0,0,0|3,0,0]=4 1925 B12R1.121 NNc1ccccc1SCCF 62a_100000241748_100011217306 [0,1,0,0,0,0|3,0,0]=4 1926 B12R1.121 NNc1ccccc1SCCF 62a_100011217306_100000241748 [0,1,0,0,0,0|3,0,0]=4 1927 B12R1.121 NNc1ccccc1SCCO 62a_100000211926_100000241748 [0,1,0,0,0,0|3,0,0]=4 1928 B12R1.121 NNc1ccccc1SCCO 62a_100000241748_100000211926 [0,1,0,0,0,0|3,0,0]=4 1929 B12R1.121 O=Cc1ccccc1CSCF 62a_100015361967_200009853537 [0,1,0,0,0,0|3,0,0]=4 1930 B12R1.121 O=Cc1ccccc1CSCF 62a_200009853537_100015361967 [0,1,0,0,0,0|3,0,0]=4 1931 B12R1.121 O=Cc1ccccc1SCCF 62a_100000210073_100011217306 [0,1,0,0,0,0|3,0,0]=4 1932 B12R1.121 O=Cc1ccccc1SCCF 62a_100011217306_100000210073 [0,1,0,0,0,0|3,0,0]=4 1933 B12R1.121 O=Cc1ccccc1SCCO 62a_100000210073_100000211926 [0,1,0,0,0,0|3,0,0]=4 1934 B12R1.121 O=Cc1ccccc1SCCO 62a_100000211926_100000210073 [0,1,0,0,0,0|3,0,0]=4 1935 B12R1.121 OCCNc1ccccc1CO 34a_100000212039_100000211926 [0,1,0,0,0,0|3,0,0]=4 1936 B12R1.121 OCCOc1ccccc1CO 34a_100011216872_100000211926 [0,1,0,0,0,0|3,0,0]=4 1937 B12R1.121 OCCSc1ccccc1CO 62a_100000187465_100000211926 [0,1,0,0,0,0|3,0,0]=4 1938 B12R1.121 OCCSc1ccccc1CO 62a_100000211926_100000187465 [0,1,0,0,0,0|3,0,0]=4 1939 B12R1.121 OCc1ccccc1CSCF 62a_100009816955_100015361967 [0,1,0,0,0,0|3,0,0]=4 1940 B12R1.121 OCc1ccccc1CSCF 62a_100015361967_100009816955 [0,1,0,0,0,0|3,0,0]=4 1941 B12R1.121 OCc1ccccc1NCCF 34a_100000212039_100011217306 [0,1,0,0,0,0|3,0,0]=4 1942 B12R1.121 OCc1ccccc1OCCF 34a_100011216872_100011217306 [0,1,0,0,0,0|3,0,0]=4 1943 B12R1.121 OCc1ccccc1SCCF 62a_100000187465_100011217306 [0,1,0,0,0,0|3,0,0]=4 1944 B12R1.121 OCc1ccccc1SCCF 62a_100011217306_100000187465 [0,1,0,0,0,0|3,0,0]=4 1945 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 2230a_106741704370_200025704644 [0,1,0,0,0,0|2,0,0]=3 1946 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 34a_106741704370_200025704644 [0,1,0,0,0,0|2,0,0]=3 1947 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 7a_106741704370_200025704644 [0,1,0,0,0,0|2,0,0]=3 1948 B12R1.121 [13CH3]Nc1ccccc1OCCF 34a_100012000959_200025704644 [0,1,0,0,0,0|2,0,0]=3 1949 B12R1.121 [13CH3]Nc1ccccc1OCCO 34a_100132302172_200025704644 [0,1,0,0,0,0|2,0,0]=3 1950 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [0,1,0,0,0,0|1,0,0]=2 1951 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [0,1,0,0,0,0|1,0,0]=2 1952 B12R1.121 [13CH3]SCCc1ccccc1C#N 62a_200025704644_200013032965 [0,1,0,0,0,0|3,0,0]=4 1953 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_100010186698_200025704644 [0,1,0,0,0,0|3,0,0]=4 1954 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_200025704644_100010186698 [0,1,0,0,0,0|3,0,0]=4 1955 B12R1.121 [13CH3]Sc1ccccc1C#CCO 62a_100009814404_200025704644 [0,1,0,0,0,0|1,1,1]=4 1956 B12R1.121 [13CH3]Sc1ccccc1C#CCO 62a_200025704644_100009814404 [0,1,0,0,0,0|1,1,1]=4 1957 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,1,0,0,0,0|1,1,0]=3 1958 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,1,0,0,0,0|1,1,0]=3 1959 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_100000699526_200025704644 [0,1,0,0,0,0|1,1,0]=3 1960 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_200025704644_100000699526 [0,1,0,0,0,0|1,1,0]=3 1961 B12R1.121 [13CH3]Sc1ccccc1CSC#N 62a_200010199460_200025704644 [0,1,0,0,0,0|0,1,2]=4 1962 B12R1.121 [13CH3]Sc1ccccc1CSC#N 62a_200025704644_200010199460 [0,1,0,0,0,0|0,1,2]=4 1963 B12R1.121 [13CH3]Sc1ccccc1OCC#N 62a_200000173881_200025704644 [0,1,0,0,0,0|0,1,2]=4 1964 B12R1.121 [13CH3]Sc1ccccc1OCC#N 62a_200025704644_200000173881 [0,1,0,0,0,0|0,1,2]=4 1965 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [0,1,0,0,0,0|0,1,0]=2 1966 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [0,1,0,0,0,0|0,1,0]=2 1967 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_100000230753_200025704644 [0,1,0,0,0,0|1,1,0]=3 1968 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_200025704644_100000230753 [0,1,0,0,0,0|1,1,0]=3 1969 B12R1.121 [13CH3]Sc1ccccc1SCCO 62a_200000230852_200025704644 [0,1,0,0,0,0|1,1,0]=3 1970 B12R1.121 [13CH3]Sc1ccccc1SCCO 62a_200025704644_200000230852 [0,1,0,0,0,0|1,1,0]=3 1971 B12R1.121 [13CH3]Sc1cccnc1NCCO 62a_200011464885_200025704644 [0,1,0,0,0,0|2,1,0]=4 1972 B12R1.121 [13CH3]Sc1cccnc1NCCO 62a_200025704644_200011464885 [0,1,0,0,0,0|2,1,0]=4 1973 B12R1.121 [13CH3]Sc1ncccc1OCCF 62a_100012814765_200025704644 [0,1,0,0,0,0|2,1,0]=4 1974 B12R1.121 [13CH3]Sc1ncccc1OCCF 62a_200025704644_100012814765 [0,1,0,0,0,0|2,1,0]=4 1975 B12R1.169 C/C=C/c1ccccc1OCC 34a_200000189419_100000210202 [0,1,0,0,0,0|1,0,2]=4 1976 B12R1.169 C/C=C/c1ccccc1OCC 7a_200000189419_100000210202 [0,1,0,0,0,0|1,0,2]=4 1977 B12R1.169 C/C=C/c1ccccc1OCF 34a_200000189419_100015361967 [0,1,0,0,0,0|1,0,2]=4 1978 B12R1.169 C/C=C/c1ccccc1OCF 7a_200000189419_100015361967 [0,1,0,0,0,0|1,0,2]=4 1979 B12R1.169 C=C=Cc1ccccc1CCN 271570a_100015277604_100000747383 [0,1,0,0,0,0|1,0,1]=3 1980 B12R1.169 C=C=Cc1ccccc1CCO 271570a_100015277604_100000731337 [0,1,0,0,0,0|2,0,1]=4 1981 B12R1.169 C=C=Cc1ccccc1CNN 271570a_100015277604_200016993956 [0,1,0,0,0,0|2,0,1]=4 1982 B12R1.169 C=C=Cc1ccccc1COC 271570a_100015277604_100011493684 [0,1,0,0,0,0|1,0,2]=4 1983 B12R1.169 C=C=Cc1ccccc1OCC 271570a_100015277604_100000230754 [0,1,0,0,0,0|1,0,2]=4 1984 B12R1.169 C=CCc1ccccc1C=CC 271570a_100016259895_100009828059 [0,1,0,0,0,0|2,0,1]=4 1985 B12R1.169 C=CCc1ccccc1CNC 207a_100102657272_100010619294 [0,1,0,0,0,0|2,0,1]=4 1986 B12R1.169 C=CCc1ccccc1CNC 26a_100102657272_100000211836 [0,1,0,0,0,0|2,0,1]=4 1987 B12R1.169 C=CCc1ccccc1CNC 270004a_106832991635_100010619294 [0,1,0,0,0,0|2,0,1]=4 1988 B12R1.169 C=CCc1ccccc1NCC 2230a_200138433279_100000210202 [0,1,0,0,0,0|2,0,1]=4 1989 B12R1.169 C=CCc1ccccc1NCC 34a_200138433279_100000210202 [0,1,0,0,0,0|2,0,1]=4 1990 B12R1.169 C=CCc1ccccc1NCF 34a_200138433279_100015361967 [0,1,0,0,0,0|2,0,1]=4 1991 B12R1.169 C=CCc1ccccc1OCC 34a_100000211836_100000210202 [0,1,0,0,0,0|1,0,1]=3 1992 B12R1.169 C=CCc1ccccc1OCC 7a_100000211836_100000210202 [0,1,0,0,0,0|1,0,1]=3 1993 B12R1.169 C=CCc1ccccc1OCF 34a_100000211836_100015361967 [0,1,0,0,0,0|1,0,1]=3 1994 B12R1.169 C=CCc1ccccc1OCF 7a_100000211836_100015361967 [0,1,0,0,0,0|1,0,1]=3 1995 B12R1.169 C=CCc1ccccc1SCC 62a_100000210202_100009828059 [0,1,0,0,0,0|1,1,1]=4 1996 B12R1.169 C=CCc1ccccc1SCC 62a_100009828059_100000210202 [0,1,0,0,0,0|1,1,1]=4 1997 B12R1.169 C=CCc1ccccc1SCF 62a_100009828059_100015361967 [0,1,0,0,0,0|1,1,1]=4 1998 B12R1.169 C=CCc1ccccc1SCF 62a_100015361967_100009828059 [0,1,0,0,0,0|1,1,1]=4 1999 B12R1.169 CC=Cc1ccccc1CC#N 271570a_100016259895_100000033512 [0,1,0,0,0,0|1,0,2]=4 2000 B12R1.169 CC=Cc1ccccc1CCN 271570a_100016259895_100000747383 [0,1,0,0,0,0|1,0,0]=2 2001 B12R1.169 CC=Cc1ccccc1CCO 271570a_100016259895_100000731337 [0,1,0,0,0,0|2,0,0]=3 2002 B12R1.169 CC=Cc1ccccc1CNC 271570a_100016259895_100000184654 [0,1,0,0,0,0|3,0,0]=4 2003 B12R1.169 CC=Cc1ccccc1CNN 271570a_100016259895_200016993956 [0,1,0,0,0,0|2,0,0]=3 2004 B12R1.169 CC=Cc1ccccc1COC 271570a_100016259895_100011493684 [0,1,0,0,0,0|1,0,2]=4 2005 B12R1.169 CC=Cc1ccccc1CSC 271570a_100016259895_100000148299 [0,1,0,0,0,0|3,0,0]=4 2006 B12R1.169 CC=Cc1ccccc1NCC 271570a_100016259895_114873767003 [0,1,0,0,0,0|3,0,0]=4 2007 B12R1.169 CC=Cc1ccccc1OCC 271570a_100016259895_100000230754 [0,1,0,0,0,0|1,0,2]=4 2008 B12R1.169 CC=Cc1ccccc1SCC 271570a_100016259895_100000230856 [0,1,0,0,0,0|3,0,0]=4 2009 B12R1.169 CCCc1ccccc1CNC 26a_100102657272_100011217252 [0,1,0,0,0,0|2,0,0]=3 2010 B12R1.169 CCCc1ccccc1NCC 2230a_100000737634_100000210202 [0,1,0,0,0,0|2,0,0]=3 2011 B12R1.169 CCCc1ccccc1NCC 34a_100000737634_100000210202 [0,1,0,0,0,0|2,0,0]=3 2012 B12R1.169 CCCc1ccccc1NCC 7a_100000737634_100000210202 [0,1,0,0,0,0|2,0,0]=3 2013 B12R1.169 CCCc1ccccc1NCF 34a_100000737634_100015361967 [0,1,0,0,0,0|2,0,0]=3 2014 B12R1.169 CCCc1ccccc1NCF 7a_100000737634_100015361967 [0,1,0,0,0,0|2,0,0]=3 2015 B12R1.169 CCCc1ccccc1OCC 34a_100011217252_100000210202 [0,1,0,0,0,0|1,0,0]=2 2016 B12R1.169 CCCc1ccccc1OCC 7a_100011217252_100000210202 [0,1,0,0,0,0|1,0,0]=2 2017 B12R1.169 CCCc1ccccc1OCF 34a_100011217252_100015361967 [0,1,0,0,0,0|1,0,0]=2 2018 B12R1.169 CCCc1ccccc1OCF 7a_100011217252_100015361967 [0,1,0,0,0,0|1,0,0]=2 2019 B12R1.169 CCNc1ccccc1CCO 2230a_100011215289_100000210202 [0,1,0,0,0,0|2,0,0]=3 2020 B12R1.169 CCNc1ccccc1CCO 34a_100011215289_100000210202 [0,1,0,0,0,0|2,0,0]=3 2021 B12R1.169 CCNc1ccccc1OCC 34a_100000211218_100000210202 [0,1,0,0,0,0|2,0,0]=3 2022 B12R1.169 CCNc1ccccc1OCC 34a_103624766699_100000210202 [0,1,0,0,0,0|2,0,0]=3 2023 B12R1.169 CCNc1ccccc1OCC 7a_103624766699_100000210202 [0,1,0,0,0,0|2,0,0]=3 2024 B12R1.169 CCNc1ccccc1OCF 34a_103624766699_100015361967 [0,1,0,0,0,0|2,0,0]=3 2025 B12R1.169 CCNc1ccccc1OCF 7a_103624766699_100015361967 [0,1,0,0,0,0|2,0,0]=3 2026 B12R1.169 CCNc1ccccc1SCC 34a_100011223125_100000210202 [0,1,0,0,0,0|2,1,0]=4 2027 B12R1.169 CCNc1ccccc1SCC 62a_100000210202_114873767003 [0,1,0,0,0,0|2,1,0]=4 2028 B12R1.169 CCNc1ccccc1SCC 62a_114873767003_100000210202 [0,1,0,0,0,0|2,1,0]=4 2029 B12R1.169 CCNc1ccccc1SCF 62a_100015361967_114873767003 [0,1,0,0,0,0|2,1,0]=4 2030 B12R1.169 CCNc1ccccc1SCF 62a_114873767003_100015361967 [0,1,0,0,0,0|2,1,0]=4 2031 B12R1.169 CCOc1ccccc1CC#N 34a_100000043107_100000210202 [0,1,0,0,0,0|0,0,2]=3 2032 B12R1.169 CCOc1ccccc1CC#N 7a_100000043107_100000210202 [0,1,0,0,0,0|0,0,2]=3 2033 B12R1.169 CCOc1ccccc1CCBr 34a_100000722297_100000210202 [0,1,0,0,0,0|1,0,0]=2 2034 B12R1.169 CCOc1ccccc1CCBr 7a_100000722297_100000210202 [0,1,0,0,0,0|1,0,0]=2 2035 B12R1.169 CCOc1ccccc1CCN 34a_100011207237_100000210202 [0,1,0,0,0,0|0,0,0]=1 2036 B12R1.169 CCOc1ccccc1CCO 34a_100000719421_100000210202 [0,1,0,0,0,0|1,0,0]=2 2037 B12R1.169 CCOc1ccccc1CCO 7a_100000719421_100000210202 [0,1,0,0,0,0|1,0,0]=2 2038 B12R1.169 CCOc1ccccc1CNC 207a_100102657272_100000169843 [0,1,0,0,0,0|2,0,0]=3 2039 B12R1.169 CCOc1ccccc1CNC 270004a_106832991635_100000169843 [0,1,0,0,0,0|2,0,0]=3 2040 B12R1.169 CCOc1ccccc1CNC 34a_100015189988_100000210202 [0,1,0,0,0,0|2,0,0]=3 2041 B12R1.169 CCOc1ccccc1COC 34a_100000708577_200000210301 [0,1,0,0,0,0|2,0,0]=3 2042 B12R1.169 CCOc1ccccc1COC 34a_100011488565_100000210202 [0,1,0,0,0,0|2,0,0]=3 2043 B12R1.169 CCOc1ccccc1COC 7a_100000708577_200000210301 [0,1,0,0,0,0|2,0,0]=3 2044 B12R1.169 CCOc1ccccc1COC 7a_100011488565_100000210202 [0,1,0,0,0,0|2,0,0]=3 2045 B12R1.169 CCOc1ccccc1CO[13CH3] 34a_100000708577_200025704644 [0,1,0,0,0,0|2,0,0]=3 2046 B12R1.169 CCOc1ccccc1CO[13CH3] 7a_100000708577_200025704644 [0,1,0,0,0,0|2,0,0]=3 2047 B12R1.169 CCOc1ccccc1NCF 34a_100000211218_100015361967 [0,1,0,0,0,0|2,0,0]=3 2048 B12R1.169 CCOc1ccccc1OCC 34a_100000211404_100000210202 [0,1,0,0,0,0|2,0,0]=3 2049 B12R1.169 CCOc1ccccc1OCC 7a_100000211404_100000210202 [0,1,0,0,0,0|2,0,0]=3 2050 B12R1.169 CCOc1ccccc1OCF 34a_100000211404_100015361967 [0,1,0,0,0,0|2,0,0]=3 2051 B12R1.169 CCOc1ccccc1OCF 7a_100000211404_100015361967 [0,1,0,0,0,0|2,0,0]=3 2052 B12R1.169 CCOc1ccccc1SCC 62a_100000210202_100000230754 [0,1,0,0,0,0|2,0,0]=3 2053 B12R1.169 CCOc1ccccc1SCC 62a_100000230754_100000210202 [0,1,0,0,0,0|2,0,0]=3 2054 B12R1.169 CCOc1ccccc1SCF 62a_100000230754_100015361967 [0,1,0,0,0,0|2,0,0]=3 2055 B12R1.169 CCOc1ccccc1SCF 62a_100015361967_100000230754 [0,1,0,0,0,0|2,0,0]=3 2056 B12R1.169 CCOc1cccnc1CNC 207a_100102657272_100009876934 [0,1,0,0,0,0|3,0,0]=4 2057 B12R1.169 CCOc1cccnc1CNC 270004a_106832991635_100009876934 [0,1,0,0,0,0|3,0,0]=4 2058 B12R1.169 CCOc1cccnc1OCC 34a_100011998697_100000210202 [0,1,0,0,0,0|3,0,0]=4 2059 B12R1.169 CCOc1cccnc1SCC 62a_100000210202_100011597540 [0,1,0,0,0,0|3,0,0]=4 2060 B12R1.169 CCOc1cccnc1SCC 62a_100011597540_100000210202 [0,1,0,0,0,0|3,0,0]=4 2061 B12R1.169 CCOc1cccnc1SCF 62a_100011597540_100015361967 [0,1,0,0,0,0|3,0,0]=4 2062 B12R1.169 CCOc1cccnc1SCF 62a_100015361967_100011597540 [0,1,0,0,0,0|3,0,0]=4 2063 B12R1.169 CCOc1ccncc1CNC 270004a_106832991635_200011935332 [0,1,0,0,0,0|3,0,0]=4 2064 B12R1.169 CCOc1ncccc1CNC 207a_100102657272_100011290805 [0,1,0,0,0,0|3,0,0]=4 2065 B12R1.169 CCOc1ncccc1CNC 270004a_106832991635_100011290805 [0,1,0,0,0,0|3,0,0]=4 2066 B12R1.169 CCOc1ncccc1OCF 34a_100011998697_100015361967 [0,1,0,0,0,0|3,0,0]=4 2067 B12R1.169 CCOc1ncccc1SCC 62a_100000210202_100011465154 [0,1,0,0,0,0|3,0,0]=4 2068 B12R1.169 CCOc1ncccc1SCC 62a_100011465154_100000210202 [0,1,0,0,0,0|3,0,0]=4 2069 B12R1.169 CCOc1ncccc1SCF 62a_100011465154_100015361967 [0,1,0,0,0,0|3,0,0]=4 2070 B12R1.169 CCOc1ncccc1SCF 62a_100015361967_100011465154 [0,1,0,0,0,0|3,0,0]=4 2071 B12R1.169 CCSc1ccccc1CC#N 62a_100000033512_100000210202 [0,1,0,0,0,0|0,1,2]=4 2072 B12R1.169 CCSc1ccccc1CC#N 62a_100000210202_100000033512 [0,1,0,0,0,0|0,1,2]=4 2073 B12R1.169 CCSc1ccccc1CCN 62a_100000210202_100000747383 [0,1,0,0,0,0|0,1,0]=2 2074 B12R1.169 CCSc1ccccc1CCN 62a_100000747383_100000210202 [0,1,0,0,0,0|0,1,0]=2 2075 B12R1.169 CCSc1ccccc1CCO 62a_100000210202_100000731337 [0,1,0,0,0,0|1,1,0]=3 2076 B12R1.169 CCSc1ccccc1CCO 62a_100000731337_100000210202 [0,1,0,0,0,0|1,1,0]=3 2077 B12R1.169 CCSc1ccccc1CNC 62a_100000184654_100000210202 [0,1,0,0,0,0|2,1,0]=4 2078 B12R1.169 CCSc1ccccc1CNC 62a_100000210202_100000184654 [0,1,0,0,0,0|2,1,0]=4 2079 B12R1.169 CCSc1ccccc1CNN 62a_100000210202_200016993956 [0,1,0,0,0,0|1,1,0]=3 2080 B12R1.169 CCSc1ccccc1CNN 62a_200016993956_100000210202 [0,1,0,0,0,0|1,1,0]=3 2081 B12R1.169 CCSc1ccccc1COC 62a_100000210202_100011493684 [0,1,0,0,0,0|2,0,0]=3 2082 B12R1.169 CCSc1ccccc1COC 62a_100011493684_100000210202 [0,1,0,0,0,0|2,0,0]=3 2083 B12R1.169 CCSc1ccccc1CSC 62a_100000148299_100000210202 [0,1,0,0,0,0|2,1,0]=4 2084 B12R1.169 CCSc1ccccc1CSC 62a_100000210202_100000148299 [0,1,0,0,0,0|2,1,0]=4 2085 B12R1.169 CCSc1ccccc1NCF 34a_100011223125_100015361967 [0,1,0,0,0,0|2,1,0]=4 2086 B12R1.169 CCSc1ccccc1SCC 62a_100000210202_100000230856 [0,1,0,0,0,0|2,1,0]=4 2087 B12R1.169 CCSc1ccccc1SCC 62a_100000230856_100000210202 [0,1,0,0,0,0|2,1,0]=4 2088 B12R1.169 CCSc1ccccc1SCF 62a_100000230856_100015361967 [0,1,0,0,0,0|2,1,0]=4 2089 B12R1.169 CCSc1ccccc1SCF 62a_100015361967_100000230856 [0,1,0,0,0,0|2,1,0]=4 2090 B12R1.169 CNCc1ccccc1CC#N 2230a_106832991635_100010402002 [0,1,0,0,0,0|1,0,2]=4 2091 B12R1.169 CNCc1ccccc1CCBr 26a_100102657272_100000722297 [0,1,0,0,0,0|2,0,0]=3 2092 B12R1.169 CNCc1ccccc1OCF 34a_100015189988_100015361967 [0,1,0,0,0,0|2,0,0]=3 2093 B12R1.169 CNCc1ccccc1SCF 62a_100000184654_100015361967 [0,1,0,0,0,0|2,1,0]=4 2094 B12R1.169 CNCc1ccccc1SCF 62a_100015361967_100000184654 [0,1,0,0,0,0|2,1,0]=4 2095 B12R1.169 COCc1ccccc1OCF 34a_100011488565_100015361967 [0,1,0,0,0,0|2,0,0]=3 2096 B12R1.169 COCc1ccccc1OCF 7a_100011488565_100015361967 [0,1,0,0,0,0|2,0,0]=3 2097 B12R1.169 COCc1ccccc1SCF 62a_100011493684_100015361967 [0,1,0,0,0,0|2,0,0]=3 2098 B12R1.169 COCc1ccccc1SCF 62a_100015361967_100011493684 [0,1,0,0,0,0|2,0,0]=3 2099 B12R1.169 CSCc1ccccc1CC#N 62a_100010402002_200000210301 [0,1,0,0,0,0|0,1,2]=4 2100 B12R1.169 CSCc1ccccc1CC#N 62a_200000210301_100010402002 [0,1,0,0,0,0|0,1,2]=4 2101 B12R1.169 CSCc1ccccc1SCF 62a_100000148299_100015361967 [0,1,0,0,0,0|2,1,0]=4 2102 B12R1.169 CSCc1ccccc1SCF 62a_100015361967_100000148299 [0,1,0,0,0,0|2,1,0]=4 2103 B12R1.169 FCOc1ccccc1CCBr 34a_100000722297_100015361967 [0,1,0,0,0,0|1,0,0]=2 2104 B12R1.169 FCOc1ccccc1CCBr 7a_100000722297_100015361967 [0,1,0,0,0,0|1,0,0]=2 2105 B12R1.169 N#CCc1ccccc1OCF 34a_100000043107_100015361967 [0,1,0,0,0,0|0,0,2]=3 2106 B12R1.169 N#CCc1ccccc1OCF 7a_100000043107_100015361967 [0,1,0,0,0,0|0,0,2]=3 2107 B12R1.169 N#CCc1ccccc1SCF 62a_100000033512_100015361967 [0,1,0,0,0,0|0,1,2]=4 2108 B12R1.169 N#CCc1ccccc1SCF 62a_100015361967_100000033512 [0,1,0,0,0,0|0,1,2]=4 2109 B12R1.169 NCCc1ccccc1OCF 34a_100011207237_100015361967 [0,1,0,0,0,0|0,0,0]=1 2110 B12R1.169 NCCc1ccccc1SCF 62a_100000747383_100015361967 [0,1,0,0,0,0|0,1,0]=2 2111 B12R1.169 NCCc1ccccc1SCF 62a_100015361967_100000747383 [0,1,0,0,0,0|0,1,0]=2 2112 B12R1.169 NNCc1ccccc1SCF 62a_100015361967_200016993956 [0,1,0,0,0,0|1,1,0]=3 2113 B12R1.169 NNCc1ccccc1SCF 62a_200016993956_100015361967 [0,1,0,0,0,0|1,1,0]=3 2114 B12R1.169 OCCc1ccccc1NCF 34a_100011215289_100015361967 [0,1,0,0,0,0|2,0,0]=3 2115 B12R1.169 OCCc1ccccc1OCF 34a_100000719421_100015361967 [0,1,0,0,0,0|1,0,0]=2 2116 B12R1.169 OCCc1ccccc1OCF 7a_100000719421_100015361967 [0,1,0,0,0,0|1,0,0]=2 2117 B12R1.169 OCCc1ccccc1SCF 62a_100000731337_100015361967 [0,1,0,0,0,0|1,1,0]=3 2118 B12R1.169 OCCc1ccccc1SCF 62a_100015361967_100000731337 [0,1,0,0,0,0|1,1,0]=3 2119 B12R1.169 [13CH3]SCc1ccccc1CC#N 62a_100010402002_200025704644 [0,1,0,0,0,0|0,1,2]=4 2120 B12R1.169 [13CH3]SCc1ccccc1CC#N 62a_200025704644_100010402002 [0,1,0,0,0,0|0,1,2]=4 2121 B12R1.268 C=C=Cc1cc(ccc1OC)Br 271570a_100015277604_100012351588 [0,1,0,0,0,0|1,0,2]=4 2122 B12R1.268 C=C=Cc1cc(ccc1OC)C 271570a_100015277604_100000186399 [0,1,0,0,0,0|1,0,2]=4 2123 B12R1.268 C=C=Cc1cc(ccc1OC)Cl 271570a_100015277604_100011215930 [0,1,0,0,0,0|1,0,2]=4 2124 B12R1.268 C=C=Cc1cc(ccc1OC)F 271570a_100015277604_100000171694 [0,1,0,0,0,0|1,0,2]=4 2125 B12R1.268 C=C=Cc1cc(ccc1OC)N 271570a_100015277604_100000187427 [0,1,0,0,0,0|1,0,2]=4 2126 B12R1.268 C=C=Cc1cc(ccc1OC)O 271570a_100015277604_100010084122 [0,1,0,0,0,0|1,0,2]=4 2127 B12R1.268 CC=Cc1cc(ccc1OC)Br 271570a_100016259895_100012351588 [0,1,0,0,0,0|1,0,2]=4 2128 B12R1.268 CC=Cc1cc(ccc1OC)C 271570a_100016259895_100000186399 [0,1,0,0,0,0|1,0,2]=4 2129 B12R1.268 CC=Cc1cc(ccc1OC)Cl 271570a_100016259895_100011215930 [0,1,0,0,0,0|1,0,2]=4 2130 B12R1.268 CC=Cc1cc(ccc1OC)F 271570a_100016259895_100000171694 [0,1,0,0,0,0|1,0,2]=4 2131 B12R1.268 CC=Cc1cc(ccc1OC)N 271570a_100016259895_100000187427 [0,1,0,0,0,0|1,0,2]=4 2132 B12R1.268 CC=Cc1cc(ccc1OC)O 271570a_100016259895_100010084122 [0,1,0,0,0,0|1,0,2]=4 2133 B12R1.268 CCNc1cc(ccc1CC)Br 2230a_100012354963_100000210202 [0,1,0,0,0,0|3,0,0]=4 2134 B12R1.268 CCNc1cc(ccc1CC)Br 34a_100012354963_100000210202 [0,1,0,0,0,0|3,0,0]=4 2135 B12R1.268 CCNc1cc(ccc1CC)Br 7a_100012354963_100000210202 [0,1,0,0,0,0|3,0,0]=4 2136 B12R1.268 CCNc1cc(ccc1CC)Cl 2230a_200012281948_100000210202 [0,1,0,0,0,0|3,0,0]=4 2137 B12R1.268 CCNc1cc(ccc1CC)Cl 34a_200012281948_100000210202 [0,1,0,0,0,0|3,0,0]=4 2138 B12R1.268 CCNc1cc(ccc1CC)Cl 7a_200012281948_100000210202 [0,1,0,0,0,0|3,0,0]=4 2139 B12R1.268 CCNc1cc(ccc1OC)Br 34a_100000743470_100000210202 [0,1,0,0,0,0|2,0,0]=3 2140 B12R1.268 CCNc1cc(ccc1OC)C 2230a_100000210980_100000210202 [0,1,0,0,0,0|2,0,0]=3 2141 B12R1.268 CCNc1cc(ccc1OC)C 34a_100000210980_100000210202 [0,1,0,0,0,0|2,0,0]=3 2142 B12R1.268 CCNc1cc(ccc1OC)Cl 34a_100000182114_100000210202 [0,1,0,0,0,0|2,0,0]=3 2143 B12R1.268 CCNc1cc(ccc1OC)F 34a_100000757179_100000210202 [0,1,0,0,0,0|2,0,0]=3 2144 B12R1.268 CCNc1cc(ccc1SC)Cl 34a_100000745667_100000210202 [0,1,0,0,0,0|2,1,0]=4 2145 B12R1.268 CCOc1cc(ccc1NC)Br 2230a_100000688918_200000210301 [0,1,0,0,0,0|3,0,0]=4 2146 B12R1.268 CCOc1cc(ccc1NC)Br 34a_100000688918_200000210301 [0,1,0,0,0,0|3,0,0]=4 2147 B12R1.268 CCOc1cc(ccc1NC)C 2230a_100000742043_200000210301 [0,1,0,0,0,0|3,0,0]=4 2148 B12R1.268 CCOc1cc(ccc1NC)C 34a_100000742043_200000210301 [0,1,0,0,0,0|3,0,0]=4 2149 B12R1.268 CCOc1cc(ccc1NC)Cl 34a_100000687649_200000210301 [0,1,0,0,0,0|3,0,0]=4 2150 B12R1.268 CCOc1cc(ccc1NC)F 2230a_100000741351_200000210301 [0,1,0,0,0,0|3,0,0]=4 2151 B12R1.268 CCOc1cc(ccc1NC)F 34a_100000741351_200000210301 [0,1,0,0,0,0|3,0,0]=4 2152 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 2230a_100000688918_200025704644 [0,1,0,0,0,0|3,0,0]=4 2153 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 34a_100000688918_200025704644 [0,1,0,0,0,0|3,0,0]=4 2154 B12R1.268 CCOc1cc(ccc1N[13CH3])C 2230a_100000742043_200025704644 [0,1,0,0,0,0|3,0,0]=4 2155 B12R1.268 CCOc1cc(ccc1N[13CH3])C 34a_100000742043_200025704644 [0,1,0,0,0,0|3,0,0]=4 2156 B12R1.268 CCOc1cc(ccc1N[13CH3])Cl 34a_100000687649_200025704644 [0,1,0,0,0,0|3,0,0]=4 2157 B12R1.268 CCOc1cc(ccc1N[13CH3])F 2230a_100000741351_200025704644 [0,1,0,0,0,0|3,0,0]=4 2158 B12R1.268 CCOc1cc(ccc1N[13CH3])F 34a_100000741351_200025704644 [0,1,0,0,0,0|3,0,0]=4 2159 B12R1.268 CCOc1cc(ccc1OC)Br 34a_100009816560_100000210202 [0,1,0,0,0,0|2,0,0]=3 2160 B12R1.268 CCOc1cc(ccc1OC)Br 7a_100009816560_100000210202 [0,1,0,0,0,0|2,0,0]=3 2161 B12R1.268 CCOc1cc(ccc1OC)C 34a_100011216497_100000210202 [0,1,0,0,0,0|2,0,0]=3 2162 B12R1.268 CCOc1cc(ccc1OC)C 34a_200000034294_200000210301 [0,1,0,0,0,0|2,0,0]=3 2163 B12R1.268 CCOc1cc(ccc1OC)C 7a_100011216497_100000210202 [0,1,0,0,0,0|2,0,0]=3 2164 B12R1.268 CCOc1cc(ccc1OC)C 7a_200000034294_200000210301 [0,1,0,0,0,0|2,0,0]=3 2165 B12R1.268 CCOc1cc(ccc1OC)Cl 34a_100000101779_100000210202 [0,1,0,0,0,0|2,0,0]=3 2166 B12R1.268 CCOc1cc(ccc1OC)Cl 7a_100000101779_100000210202 [0,1,0,0,0,0|2,0,0]=3 2167 B12R1.268 CCOc1cc(ccc1OC)F 34a_100000034962_100000210202 [0,1,0,0,0,0|2,0,0]=3 2168 B12R1.268 CCOc1cc(ccc1OC)F 7a_100000034962_100000210202 [0,1,0,0,0,0|2,0,0]=3 2169 B12R1.268 CCOc1cc(ccc1OC)N 34a_100000211920_100000210202 [0,1,0,0,0,0|2,0,0]=3 2170 B12R1.268 CCOc1cc(ccc1OC)O 271570a_203496583355_200010219349 [0,1,0,0,0,0|2,0,0]=3 2171 B12R1.268 CCOc1cc(ccc1O[13CH3])C 34a_200000034294_200025704644 [0,1,0,0,0,0|2,0,0]=3 2172 B12R1.268 CCOc1cc(ccc1O[13CH3])C 7a_200000034294_200025704644 [0,1,0,0,0,0|2,0,0]=3 2173 B12R1.268 CCOc1cc(ccc1SC)C 62a_200000210301_200010713166 [0,1,0,0,0,0|2,1,0]=4 2174 B12R1.268 CCOc1cc(ccc1SC)C 62a_200010713166_200000210301 [0,1,0,0,0,0|2,1,0]=4 2175 B12R1.268 CCOc1cc(ccc1SC)F 62a_200000210301_200012340411 [0,1,0,0,0,0|2,1,0]=4 2176 B12R1.268 CCOc1cc(ccc1SC)F 62a_200012340411_200000210301 [0,1,0,0,0,0|2,1,0]=4 2177 B12R1.268 CCOc1cc(ccc1SC)N 62a_200000210301_200016990551 [0,1,0,0,0,0|2,1,0]=4 2178 B12R1.268 CCOc1cc(ccc1SC)N 62a_200016990551_200000210301 [0,1,0,0,0,0|2,1,0]=4 2179 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200010713166_200025704644 [0,1,0,0,0,0|2,1,0]=4 2180 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200025704644_200010713166 [0,1,0,0,0,0|2,1,0]=4 2181 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200012340411_200025704644 [0,1,0,0,0,0|2,1,0]=4 2182 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200025704644_200012340411 [0,1,0,0,0,0|2,1,0]=4 2183 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200016990551_200025704644 [0,1,0,0,0,0|2,1,0]=4 2184 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200025704644_200016990551 [0,1,0,0,0,0|2,1,0]=4 2185 B12R1.268 CCOc1cc(cnc1OC)Br 34a_100010135713_100000210202 [0,1,0,0,0,0|3,0,0]=4 2186 B12R1.268 CCOc1cc(ncc1OC)Br 34a_100010264082_100000210202 [0,1,0,0,0,0|3,0,0]=4 2187 B12R1.268 CCOc1cc(ncc1OC)Cl 34a_100009849459_100000210202 [0,1,0,0,0,0|3,0,0]=4 2188 B12R1.268 CCSc1cc(=O)[nH]cc1OC 62a_100000210202_100121573661 [0,1,0,0,0,0|3,0,0]=4 2189 B12R1.268 CCSc1cc(=O)[nH]cc1OC 62a_100121573661_100000210202 [0,1,0,0,0,0|3,0,0]=4 2190 B12R1.268 CCSc1cc(ccc1NC)C 62a_100000210202_100000221369 [0,1,0,0,0,0|3,0,0]=4 2191 B12R1.268 CCSc1cc(ccc1NC)C 62a_100000221369_100000210202 [0,1,0,0,0,0|3,0,0]=4 2192 B12R1.268 CCSc1cc(ccc1NC)F 62a_100000210202_100011246292 [0,1,0,0,0,0|3,0,0]=4 2193 B12R1.268 CCSc1cc(ccc1NC)F 62a_100011246292_100000210202 [0,1,0,0,0,0|3,0,0]=4 2194 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100000210202_100012351588 [0,1,0,0,0,0|2,0,0]=3 2195 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100012351588_100000210202 [0,1,0,0,0,0|2,0,0]=3 2196 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000186399_100000210202 [0,1,0,0,0,0|2,0,0]=3 2197 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000210202_100000186399 [0,1,0,0,0,0|2,0,0]=3 2198 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100000210202_100011215930 [0,1,0,0,0,0|2,0,0]=3 2199 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100011215930_100000210202 [0,1,0,0,0,0|2,0,0]=3 2200 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000171694_100000210202 [0,1,0,0,0,0|2,0,0]=3 2201 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000210202_100000171694 [0,1,0,0,0,0|2,0,0]=3 2202 B12R1.268 CCSc1cc(ccc1OC)N 62a_100000210202_100011356947 [0,1,0,0,0,0|2,0,0]=3 2203 B12R1.268 CCSc1cc(ccc1OC)N 62a_100011356947_100000210202 [0,1,0,0,0,0|2,0,0]=3 2204 B12R1.268 CCSc1cc(ccc1OC)O 62a_100000210202_100010234764 [0,1,0,0,0,0|2,0,0]=3 2205 B12R1.268 CCSc1cc(ccc1OC)O 62a_100010234764_100000210202 [0,1,0,0,0,0|2,0,0]=3 2206 B12R1.268 CCSc1cc(ccc1SC)C 62a_100000210202_200010201864 [0,1,0,0,0,0|2,1,0]=4 2207 B12R1.268 CCSc1cc(ccc1SC)C 62a_200010201864_100000210202 [0,1,0,0,0,0|2,1,0]=4 2208 B12R1.268 CCSc1cc(ccc1SC)F 62a_100000210202_100009817003 [0,1,0,0,0,0|2,1,0]=4 2209 B12R1.268 CCSc1cc(ccc1SC)F 62a_100009817003_100000210202 [0,1,0,0,0,0|2,1,0]=4 2210 B12R1.268 CCSc1cc(cnc1OC)Br 62a_100000210202_100009814608 [0,1,0,0,0,0|3,0,0]=4 2211 B12R1.268 CCSc1cc(cnc1OC)Br 62a_100009814608_100000210202 [0,1,0,0,0,0|3,0,0]=4 2212 B12R1.268 CCSc1cc(cnc1OC)C 62a_100000210202_100012353929 [0,1,0,0,0,0|3,0,0]=4 2213 B12R1.268 CCSc1cc(cnc1OC)C 62a_100012353929_100000210202 [0,1,0,0,0,0|3,0,0]=4 2214 B12R1.268 CCSc1cc(cnc1OC)F 62a_100000210202_100009828472 [0,1,0,0,0,0|3,0,0]=4 2215 B12R1.268 CCSc1cc(cnc1OC)F 62a_100009828472_100000210202 [0,1,0,0,0,0|3,0,0]=4 2216 B12R1.268 CCSc1cc(cnc1OC)N 62a_100000210202_100012351452 [0,1,0,0,0,0|3,0,0]=4 2217 B12R1.268 CCSc1cc(cnc1OC)N 62a_100012351452_100000210202 [0,1,0,0,0,0|3,0,0]=4 2218 B12R1.268 CCSc1cc(ncc1OC)C 62a_100000210202_100010109759 [0,1,0,0,0,0|3,0,0]=4 2219 B12R1.268 CCSc1cc(ncc1OC)C 62a_100010109759_100000210202 [0,1,0,0,0,0|3,0,0]=4 2220 B12R1.268 CCSc1nc(ccc1OC)C 62a_100000210202_100009820875 [0,1,0,0,0,0|3,0,0]=4 2221 B12R1.268 CCSc1nc(ccc1OC)C 62a_100009820875_100000210202 [0,1,0,0,0,0|3,0,0]=4 2222 B12R1.268 CCSc1nc(ccc1OC)N 62a_100000210202_100010172607 [0,1,0,0,0,0|3,0,0]=4 2223 B12R1.268 CCSc1nc(ccc1OC)N 62a_100010172607_100000210202 [0,1,0,0,0,0|3,0,0]=4 2224 B12R1.268 CCc1ccc(cc1COC)Br 34a_100010766240_200000210301 [0,1,0,0,0,0|3,0,0]=4 2225 B12R1.268 CCc1ccc(cc1COC)Br 7a_100010766240_200000210301 [0,1,0,0,0,0|3,0,0]=4 2226 B12R1.268 CCc1ccc(cc1CO[13CH3])Br 34a_100010766240_200025704644 [0,1,0,0,0,0|3,0,0]=4 2227 B12R1.268 CCc1ccc(cc1CO[13CH3])Br 7a_100010766240_200025704644 [0,1,0,0,0,0|3,0,0]=4 2228 B12R1.268 CCc1ccc(cc1NCF)Br 34a_100012354963_100015361967 [0,1,0,0,0,0|3,0,0]=4 2229 B12R1.268 CCc1ccc(cc1NCF)Br 7a_100012354963_100015361967 [0,1,0,0,0,0|3,0,0]=4 2230 B12R1.268 CCc1ccc(cc1NCF)Cl 34a_200012281948_100015361967 [0,1,0,0,0,0|3,0,0]=4 2231 B12R1.268 CCc1ccc(cc1NCF)Cl 7a_200012281948_100015361967 [0,1,0,0,0,0|3,0,0]=4 2232 B12R1.268 CNCc1cc(ccc1OC)Br 207a_100102657272_100000170026 [0,1,0,0,0,0|2,0,0]=3 2233 B12R1.268 CNCc1cc(ccc1OC)Br 2230a_106832991635_100000204665 [0,1,0,0,0,0|2,0,0]=3 2234 B12R1.268 CNCc1cc(ccc1OC)Br 26a_100102657272_100009816560 [0,1,0,0,0,0|2,0,0]=3 2235 B12R1.268 CNCc1cc(ccc1OC)Br 270004a_106832991635_100000170026 [0,1,0,0,0,0|2,0,0]=3 2236 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100000690498_200000210301 [0,1,0,0,0,0|2,0,0]=3 2237 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100011602694_200000210301 [0,1,0,0,0,0|2,0,0]=3 2238 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100102657272_100000204665 [0,1,0,0,0,0|2,0,0]=3 2239 B12R1.268 CNCc1cc(ccc1OC)Br 7a_106832991635_100000204665 [0,1,0,0,0,0|2,0,0]=3 2240 B12R1.268 CNCc1cc(ccc1OC)C 207a_100102657272_100000203738 [0,1,0,0,0,0|2,0,0]=3 2241 B12R1.268 CNCc1cc(ccc1OC)C 2230a_106832991635_100000199068 [0,1,0,0,0,0|2,0,0]=3 2242 B12R1.268 CNCc1cc(ccc1OC)C 270004a_106832991635_100000203738 [0,1,0,0,0,0|2,0,0]=3 2243 B12R1.268 CNCc1cc(ccc1OC)C 34a_100102657272_100000199068 [0,1,0,0,0,0|2,0,0]=3 2244 B12R1.268 CNCc1cc(ccc1OC)C 7a_106832991635_100000199068 [0,1,0,0,0,0|2,0,0]=3 2245 B12R1.268 CNCc1cc(ccc1OC)Cl 207a_100102657272_100000188328 [0,1,0,0,0,0|2,0,0]=3 2246 B12R1.268 CNCc1cc(ccc1OC)Cl 2230a_100000740580_200000210301 [0,1,0,0,0,0|2,0,0]=3 2247 B12R1.268 CNCc1cc(ccc1OC)Cl 2230a_106832991635_100000209806 [0,1,0,0,0,0|2,0,0]=3 2248 B12R1.268 CNCc1cc(ccc1OC)Cl 270004a_106832991635_100000188328 [0,1,0,0,0,0|2,0,0]=3 2249 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100000712467_200000210301 [0,1,0,0,0,0|2,0,0]=3 2250 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100000740580_200000210301 [0,1,0,0,0,0|2,0,0]=3 2251 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100102657272_100000209806 [0,1,0,0,0,0|2,0,0]=3 2252 B12R1.268 CNCc1cc(ccc1OC)Cl 7a_106832991635_100000209806 [0,1,0,0,0,0|2,0,0]=3 2253 B12R1.268 CNCc1cc(ccc1OC)F 207a_100102657272_100000722865 [0,1,0,0,0,0|2,0,0]=3 2254 B12R1.268 CNCc1cc(ccc1OC)F 2230a_106832991635_100011830354 [0,1,0,0,0,0|2,0,0]=3 2255 B12R1.268 CNCc1cc(ccc1OC)F 270004a_106832991635_100000722865 [0,1,0,0,0,0|2,0,0]=3 2256 B12R1.268 CNCc1cc(ccc1OC)F 34a_100011199032_200000210301 [0,1,0,0,0,0|2,0,0]=3 2257 B12R1.268 CNCc1cc(ccc1OC)F 34a_100102657272_100011830354 [0,1,0,0,0,0|2,0,0]=3 2258 B12R1.268 CNCc1cc(ccc1OC)F 34a_114855342409_200000210301 [0,1,0,0,0,0|2,0,0]=3 2259 B12R1.268 CNCc1cc(ccc1OC)F 7a_106832991635_100011830354 [0,1,0,0,0,0|2,0,0]=3 2260 B12R1.268 CNCc1cc(ccc1OC)I 207a_100102657272_100011266407 [0,1,0,0,0,0|2,0,0]=3 2261 B12R1.268 CNCc1cc(ccc1OC)I 270004a_106832991635_100011266407 [0,1,0,0,0,0|2,0,0]=3 2262 B12R1.268 CNCc1cc(ccc1OC)O 207a_100102657272_100000067581 [0,1,0,0,0,0|2,0,0]=3 2263 B12R1.268 CNCc1cc(ccc1OC)O 271570a_203496583355_100000690607 [0,1,0,0,0,0|2,0,0]=3 2264 B12R1.268 CNCc1cc(ccc1O[13CH3])Br 34a_100011602694_200025704644 [0,1,0,0,0,0|2,0,0]=3 2265 B12R1.268 CNCc1cc(ccc1O[13CH3])Cl 34a_100000712467_200025704644 [0,1,0,0,0,0|2,0,0]=3 2266 B12R1.268 CNCc1cc(ccc1O[13CH3])F 34a_114855342409_200025704644 [0,1,0,0,0,0|2,0,0]=3 2267 B12R1.268 CNCc1cc(cnc1OC)Br 207a_100102657272_100009814609 [0,1,0,0,0,0|3,0,0]=4 2268 B12R1.268 CNCc1cc(cnc1OC)Br 2230a_106832991635_100010065838 [0,1,0,0,0,0|3,0,0]=4 2269 B12R1.268 CNCc1cc(cnc1OC)Br 270004a_106832991635_100009814609 [0,1,0,0,0,0|3,0,0]=4 2270 B12R1.268 CNCc1cc(cnc1OC)Br 34a_100102657272_100010065838 [0,1,0,0,0,0|3,0,0]=4 2271 B12R1.268 CNCc1cc(cnc1OC)Br 7a_106832991635_100010065838 [0,1,0,0,0,0|3,0,0]=4 2272 B12R1.268 CNCc1cc(cnc1OC)C 207a_100102657272_100000118322 [0,1,0,0,0,0|3,0,0]=4 2273 B12R1.268 CNCc1cc(cnc1OC)C 270004a_106832991635_100000118322 [0,1,0,0,0,0|3,0,0]=4 2274 B12R1.268 CNCc1cc(cnc1OC)F 207a_100102657272_100000081817 [0,1,0,0,0,0|3,0,0]=4 2275 B12R1.268 CNCc1cc(cnc1OC)F 270004a_106832991635_100000081817 [0,1,0,0,0,0|3,0,0]=4 2276 B12R1.268 CNCc1nc(ccc1OC)Br 270004a_106832991635_200010137984 [0,1,0,0,0,0|3,0,0]=4 2277 B12R1.268 CNc1ccc(cc1CC#N)Br 2230a_100010188562_200000210301 [0,1,0,0,0,0|1,0,2]=4 2278 B12R1.268 CNc1ccc(cc1CC#N)Br 7a_100010188562_200000210301 [0,1,0,0,0,0|1,0,2]=4 2279 B12R1.268 CNc1ccc(cc1SCF)C 62a_100000221369_100015361967 [0,1,0,0,0,0|3,0,0]=4 2280 B12R1.268 CNc1ccc(cc1SCF)C 62a_100015361967_100000221369 [0,1,0,0,0,0|3,0,0]=4 2281 B12R1.268 CNc1ccc(cc1SCF)F 62a_100011246292_100015361967 [0,1,0,0,0,0|3,0,0]=4 2282 B12R1.268 CNc1ccc(cc1SCF)F 62a_100015361967_100011246292 [0,1,0,0,0,0|3,0,0]=4 2283 B12R1.268 COCc1cc(ccc1OC)Br 34a_100000204679_200000210301 [0,1,0,0,0,0|2,0,0]=3 2284 B12R1.268 COCc1cc(ccc1OC)Br 34a_100138415774_100000204665 [0,1,0,0,0,0|2,0,0]=3 2285 B12R1.268 COCc1cc(ccc1OC)Br 7a_100000204679_200000210301 [0,1,0,0,0,0|2,0,0]=3 2286 B12R1.268 COCc1cc(ccc1OC)C 34a_100138415774_100000199068 [0,1,0,0,0,0|2,0,0]=3 2287 B12R1.268 COCc1cc(ccc1OC)C 34a_200000246444_200000210301 [0,1,0,0,0,0|2,0,0]=3 2288 B12R1.268 COCc1cc(ccc1OC)C 7a_200000246444_200000210301 [0,1,0,0,0,0|2,0,0]=3 2289 B12R1.268 COCc1cc(ccc1OC)Cl 34a_100138415774_100000209806 [0,1,0,0,0,0|2,0,0]=3 2290 B12R1.268 COCc1cc(ccc1OC)F 34a_100011266440_200000210301 [0,1,0,0,0,0|2,0,0]=3 2291 B12R1.268 COCc1cc(ccc1OC)F 34a_100135391359_200000210301 [0,1,0,0,0,0|2,0,0]=3 2292 B12R1.268 COCc1cc(ccc1OC)F 34a_100138415774_100011830354 [0,1,0,0,0,0|2,0,0]=3 2293 B12R1.268 COCc1cc(ccc1OC)F 7a_100011266440_200000210301 [0,1,0,0,0,0|2,0,0]=3 2294 B12R1.268 COCc1cc(ccc1OC)F 7a_100135391359_200000210301 [0,1,0,0,0,0|2,0,0]=3 2295 B12R1.268 COCc1cc(ccc1OC)I 34a_200137411115_200000210301 [0,1,0,0,0,0|2,0,0]=3 2296 B12R1.268 COCc1cc(ccc1OC)I 7a_200137411115_200000210301 [0,1,0,0,0,0|2,0,0]=3 2297 B12R1.268 COCc1cc(ccc1OC)O 271570a_203496583355_200011493686 [0,1,0,0,0,0|2,0,0]=3 2298 B12R1.268 COCc1cc(ccc1O[13CH3])F 34a_100135391359_200025704644 [0,1,0,0,0,0|2,0,0]=3 2299 B12R1.268 COCc1cc(ccc1O[13CH3])F 7a_100135391359_200025704644 [0,1,0,0,0,0|2,0,0]=3 2300 B12R1.268 COCc1cc(cnc1OC)Br 34a_100000695684_200000210301 [0,1,0,0,0,0|3,0,0]=4 2301 B12R1.268 COCc1cc(cnc1OC)Br 34a_100138415774_100010065838 [0,1,0,0,0,0|3,0,0]=4 2302 B12R1.268 COCc1cc(cnc1OC)F 34a_100011997213_200000210301 [0,1,0,0,0,0|3,0,0]=4 2303 B12R1.268 COc1c[nH]c(=O)cc1SCF 62a_100015361967_100121573661 [0,1,0,0,0,0|3,0,0]=4 2304 B12R1.268 COc1c[nH]c(=O)cc1SCF 62a_100121573661_100015361967 [0,1,0,0,0,0|3,0,0]=4 2305 B12R1.268 COc1ccc(cc1CC#N)O 271570a_203496583355_200011218486 [0,1,0,0,0,0|0,0,2]=3 2306 B12R1.268 COc1ccc(cc1CCN)O 271570a_203496583355_100000763266 [0,1,0,0,0,0|0,0,0]=1 2307 B12R1.268 COc1ccc(cc1CN[13CH3])Br 34a_100000690498_200025704644 [0,1,0,0,0,0|2,0,0]=3 2308 B12R1.268 COc1ccc(cc1CN[13CH3])Cl 2230a_100000740580_200025704644 [0,1,0,0,0,0|2,0,0]=3 2309 B12R1.268 COc1ccc(cc1CN[13CH3])Cl 34a_100000740580_200025704644 [0,1,0,0,0,0|2,0,0]=3 2310 B12R1.268 COc1ccc(cc1CN[13CH3])F 34a_100011199032_200025704644 [0,1,0,0,0,0|2,0,0]=3 2311 B12R1.268 COc1ccc(cc1CO[13CH3])Br 34a_100000204679_200025704644 [0,1,0,0,0,0|2,0,0]=3 2312 B12R1.268 COc1ccc(cc1CO[13CH3])Br 7a_100000204679_200025704644 [0,1,0,0,0,0|2,0,0]=3 2313 B12R1.268 COc1ccc(cc1CO[13CH3])C 34a_200000246444_200025704644 [0,1,0,0,0,0|2,0,0]=3 2314 B12R1.268 COc1ccc(cc1CO[13CH3])C 7a_200000246444_200025704644 [0,1,0,0,0,0|2,0,0]=3 2315 B12R1.268 COc1ccc(cc1CO[13CH3])F 34a_100011266440_200025704644 [0,1,0,0,0,0|2,0,0]=3 2316 B12R1.268 COc1ccc(cc1CO[13CH3])F 7a_100011266440_200025704644 [0,1,0,0,0,0|2,0,0]=3 2317 B12R1.268 COc1ccc(cc1CO[13CH3])I 34a_200137411115_200025704644 [0,1,0,0,0,0|2,0,0]=3 2318 B12R1.268 COc1ccc(cc1CO[13CH3])I 7a_200137411115_200025704644 [0,1,0,0,0,0|2,0,0]=3 2319 B12R1.268 COc1ccc(cc1CSC)Br 62a_100000204665_200000210301 [0,1,0,0,0,0|2,0,0]=3 2320 B12R1.268 COc1ccc(cc1CSC)Br 62a_200000210301_100000204665 [0,1,0,0,0,0|2,0,0]=3 2321 B12R1.268 COc1ccc(cc1CSC)C 62a_100000199068_200000210301 [0,1,0,0,0,0|2,0,0]=3 2322 B12R1.268 COc1ccc(cc1CSC)C 62a_200000210301_100000199068 [0,1,0,0,0,0|2,0,0]=3 2323 B12R1.268 COc1ccc(cc1CSC)Cl 62a_100000209806_200000210301 [0,1,0,0,0,0|2,0,0]=3 2324 B12R1.268 COc1ccc(cc1CSC)Cl 62a_200000210301_100000209806 [0,1,0,0,0,0|2,0,0]=3 2325 B12R1.268 COc1ccc(cc1CSC)F 62a_100011830354_200000210301 [0,1,0,0,0,0|2,0,0]=3 2326 B12R1.268 COc1ccc(cc1CSC)F 62a_200000210301_100011830354 [0,1,0,0,0,0|2,0,0]=3 2327 B12R1.268 COc1ccc(cc1CS[13CH3])Br 62a_100000204665_200025704644 [0,1,0,0,0,0|2,0,0]=3 2328 B12R1.268 COc1ccc(cc1CS[13CH3])Br 62a_200025704644_100000204665 [0,1,0,0,0,0|2,0,0]=3 2329 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_100000199068_200025704644 [0,1,0,0,0,0|2,0,0]=3 2330 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_200025704644_100000199068 [0,1,0,0,0,0|2,0,0]=3 2331 B12R1.268 COc1ccc(cc1CS[13CH3])Cl 62a_100000209806_200025704644 [0,1,0,0,0,0|2,0,0]=3 2332 B12R1.268 COc1ccc(cc1CS[13CH3])Cl 62a_200025704644_100000209806 [0,1,0,0,0,0|2,0,0]=3 2333 B12R1.268 COc1ccc(cc1CS[13CH3])F 62a_100011830354_200025704644 [0,1,0,0,0,0|2,0,0]=3 2334 B12R1.268 COc1ccc(cc1CS[13CH3])F 62a_200025704644_100011830354 [0,1,0,0,0,0|2,0,0]=3 2335 B12R1.268 COc1ccc(cc1NCF)Br 34a_100000743470_100015361967 [0,1,0,0,0,0|2,0,0]=3 2336 B12R1.268 COc1ccc(cc1NCF)C 34a_100000210980_100015361967 [0,1,0,0,0,0|2,0,0]=3 2337 B12R1.268 COc1ccc(cc1NCF)Cl 34a_100000182114_100015361967 [0,1,0,0,0,0|2,0,0]=3 2338 B12R1.268 COc1ccc(cc1NCF)F 34a_100000757179_100015361967 [0,1,0,0,0,0|2,0,0]=3 2339 B12R1.268 COc1ccc(cc1OCF)Br 34a_100009816560_100015361967 [0,1,0,0,0,0|2,0,0]=3 2340 B12R1.268 COc1ccc(cc1OCF)Br 7a_100009816560_100015361967 [0,1,0,0,0,0|2,0,0]=3 2341 B12R1.268 COc1ccc(cc1OCF)C 34a_100011216497_100015361967 [0,1,0,0,0,0|2,0,0]=3 2342 B12R1.268 COc1ccc(cc1OCF)C 7a_100011216497_100015361967 [0,1,0,0,0,0|2,0,0]=3 2343 B12R1.268 COc1ccc(cc1OCF)Cl 34a_100000101779_100015361967 [0,1,0,0,0,0|2,0,0]=3 2344 B12R1.268 COc1ccc(cc1OCF)Cl 7a_100000101779_100015361967 [0,1,0,0,0,0|2,0,0]=3 2345 B12R1.268 COc1ccc(cc1OCF)F 34a_100000034962_100015361967 [0,1,0,0,0,0|2,0,0]=3 2346 B12R1.268 COc1ccc(cc1OCF)F 7a_100000034962_100015361967 [0,1,0,0,0,0|2,0,0]=3 2347 B12R1.268 COc1ccc(cc1OCF)N 34a_100000211920_100015361967 [0,1,0,0,0,0|2,0,0]=3 2348 B12R1.268 COc1ccc(cc1SCF)Br 62a_100012351588_100015361967 [0,1,0,0,0,0|2,0,0]=3 2349 B12R1.268 COc1ccc(cc1SCF)Br 62a_100015361967_100012351588 [0,1,0,0,0,0|2,0,0]=3 2350 B12R1.268 COc1ccc(cc1SCF)C 62a_100000186399_100015361967 [0,1,0,0,0,0|2,0,0]=3 2351 B12R1.268 COc1ccc(cc1SCF)C 62a_100015361967_100000186399 [0,1,0,0,0,0|2,0,0]=3 2352 B12R1.268 COc1ccc(cc1SCF)Cl 62a_100011215930_100015361967 [0,1,0,0,0,0|2,0,0]=3 2353 B12R1.268 COc1ccc(cc1SCF)Cl 62a_100015361967_100011215930 [0,1,0,0,0,0|2,0,0]=3 2354 B12R1.268 COc1ccc(cc1SCF)F 62a_100000171694_100015361967 [0,1,0,0,0,0|2,0,0]=3 2355 B12R1.268 COc1ccc(cc1SCF)F 62a_100015361967_100000171694 [0,1,0,0,0,0|2,0,0]=3 2356 B12R1.268 COc1ccc(cc1SCF)N 62a_100011356947_100015361967 [0,1,0,0,0,0|2,0,0]=3 2357 B12R1.268 COc1ccc(cc1SCF)N 62a_100015361967_100011356947 [0,1,0,0,0,0|2,0,0]=3 2358 B12R1.268 COc1ccc(cc1SCF)O 62a_100010234764_100015361967 [0,1,0,0,0,0|2,0,0]=3 2359 B12R1.268 COc1ccc(cc1SCF)O 62a_100015361967_100010234764 [0,1,0,0,0,0|2,0,0]=3 2360 B12R1.268 COc1ccc(nc1SCF)C 62a_100009820875_100015361967 [0,1,0,0,0,0|3,0,0]=4 2361 B12R1.268 COc1ccc(nc1SCF)C 62a_100015361967_100009820875 [0,1,0,0,0,0|3,0,0]=4 2362 B12R1.268 COc1ccc(nc1SCF)N 62a_100010172607_100015361967 [0,1,0,0,0,0|3,0,0]=4 2363 B12R1.268 COc1ccc(nc1SCF)N 62a_100015361967_100010172607 [0,1,0,0,0,0|3,0,0]=4 2364 B12R1.268 COc1cnc(cc1OCF)Br 34a_100010264082_100015361967 [0,1,0,0,0,0|3,0,0]=4 2365 B12R1.268 COc1cnc(cc1OCF)Cl 34a_100009849459_100015361967 [0,1,0,0,0,0|3,0,0]=4 2366 B12R1.268 COc1cnc(cc1SCF)C 62a_100010109759_100015361967 [0,1,0,0,0,0|3,0,0]=4 2367 B12R1.268 COc1cnc(cc1SCF)C 62a_100015361967_100010109759 [0,1,0,0,0,0|3,0,0]=4 2368 B12R1.268 COc1ncc(cc1CO[13CH3])Br 34a_100000695684_200025704644 [0,1,0,0,0,0|3,0,0]=4 2369 B12R1.268 COc1ncc(cc1CO[13CH3])F 34a_100011997213_200025704644 [0,1,0,0,0,0|3,0,0]=4 2370 B12R1.268 COc1ncc(cc1CSC)Br 62a_100010065838_200000210301 [0,1,0,0,0,0|3,0,0]=4 2371 B12R1.268 COc1ncc(cc1CSC)Br 62a_200000210301_100010065838 [0,1,0,0,0,0|3,0,0]=4 2372 B12R1.268 COc1ncc(cc1CS[13CH3])Br 62a_100010065838_200025704644 [0,1,0,0,0,0|3,0,0]=4 2373 B12R1.268 COc1ncc(cc1CS[13CH3])Br 62a_200025704644_100010065838 [0,1,0,0,0,0|3,0,0]=4 2374 B12R1.268 COc1ncc(cc1OCF)Br 34a_100010135713_100015361967 [0,1,0,0,0,0|3,0,0]=4 2375 B12R1.268 COc1ncc(cc1SCF)Br 62a_100009814608_100015361967 [0,1,0,0,0,0|3,0,0]=4 2376 B12R1.268 COc1ncc(cc1SCF)Br 62a_100015361967_100009814608 [0,1,0,0,0,0|3,0,0]=4 2377 B12R1.268 COc1ncc(cc1SCF)C 62a_100012353929_100015361967 [0,1,0,0,0,0|3,0,0]=4 2378 B12R1.268 COc1ncc(cc1SCF)C 62a_100015361967_100012353929 [0,1,0,0,0,0|3,0,0]=4 2379 B12R1.268 COc1ncc(cc1SCF)F 62a_100009828472_100015361967 [0,1,0,0,0,0|3,0,0]=4 2380 B12R1.268 COc1ncc(cc1SCF)F 62a_100015361967_100009828472 [0,1,0,0,0,0|3,0,0]=4 2381 B12R1.268 COc1ncc(cc1SCF)N 62a_100012351452_100015361967 [0,1,0,0,0,0|3,0,0]=4 2382 B12R1.268 COc1ncc(cc1SCF)N 62a_100015361967_100012351452 [0,1,0,0,0,0|3,0,0]=4 2383 B12R1.268 CSc1ccc(cc1CC#N)C 62a_100010147026_200000210301 [0,1,0,0,0,0|0,1,2]=4 2384 B12R1.268 CSc1ccc(cc1CC#N)C 62a_200000210301_100010147026 [0,1,0,0,0,0|0,1,2]=4 2385 B12R1.268 CSc1ccc(cc1CC#N)F 62a_100011206898_200000210301 [0,1,0,0,0,0|0,1,2]=4 2386 B12R1.268 CSc1ccc(cc1CC#N)F 62a_200000210301_100011206898 [0,1,0,0,0,0|0,1,2]=4 2387 B12R1.268 CSc1ccc(cc1NCF)Cl 34a_100000745667_100015361967 [0,1,0,0,0,0|2,1,0]=4 2388 B12R1.268 CSc1ccc(cc1SCF)C 62a_100015361967_200010201864 [0,1,0,0,0,0|2,1,0]=4 2389 B12R1.268 CSc1ccc(cc1SCF)C 62a_200010201864_100015361967 [0,1,0,0,0,0|2,1,0]=4 2390 B12R1.268 CSc1ccc(cc1SCF)F 62a_100009817003_100015361967 [0,1,0,0,0,0|2,1,0]=4 2391 B12R1.268 CSc1ccc(cc1SCF)F 62a_100015361967_100009817003 [0,1,0,0,0,0|2,1,0]=4 2392 B12R1.268 Cc1ccc(c(c1)CC#N)S[13CH3] 62a_100010147026_200025704644 [0,1,0,0,0,0|0,1,2]=4 2393 B12R1.268 Cc1ccc(c(c1)CC#N)S[13CH3] 62a_200025704644_100010147026 [0,1,0,0,0,0|0,1,2]=4 2394 B12R1.268 [13CH3]Nc1ccc(cc1CC#N)Br 2230a_100010188562_200025704644 [0,1,0,0,0,0|1,0,2]=4 2395 B12R1.268 [13CH3]Nc1ccc(cc1CC#N)Br 7a_100010188562_200025704644 [0,1,0,0,0,0|1,0,2]=4 2396 B12R1.268 [13CH3]Sc1ccc(cc1CC#N)F 62a_100011206898_200025704644 [0,1,0,0,0,0|0,1,2]=4 2397 B12R1.268 [13CH3]Sc1ccc(cc1CC#N)F 62a_200025704644_100011206898 [0,1,0,0,0,0|0,1,2]=4 2398 B12R1.283 C=C(C)c1ccccc1CC#N 271570a_100000694244_100000033512 [0,1,0,0,0,0|1,0,2]=4 2399 B12R1.283 C=C(C)c1ccccc1CCN 271570a_100000694244_100000747383 [0,1,0,0,0,0|1,0,0]=2 2400 B12R1.283 C=C(C)c1ccccc1CCO 271570a_100000694244_100000731337 [0,1,0,0,0,0|2,0,0]=3 2401 B12R1.283 C=C(C)c1ccccc1CNC 271570a_100000694244_100000184654 [0,1,0,0,0,0|3,0,0]=4 2402 B12R1.283 C=C(C)c1ccccc1CNN 271570a_100000694244_200016993956 [0,1,0,0,0,0|2,0,0]=3 2403 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [0,1,0,0,0,0|3,0,0]=4 2404 B12R1.283 C=C(C)c1ccccc1CSC 271570a_100000694244_100000148299 [0,1,0,0,0,0|3,0,0]=4 2405 B12R1.283 C=C(C)c1ccccc1NCC 271570a_100000694244_114873767003 [0,1,0,0,0,0|3,0,0]=4 2406 B12R1.283 C=C(C)c1ccccc1NCC 34a_100000037685_100000210202 [0,1,0,0,0,0|3,0,0]=4 2407 B12R1.283 C=C(C)c1ccccc1NCF 34a_100000037685_100015361967 [0,1,0,0,0,0|3,0,0]=4 2408 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,1,0,0,0,0|3,0,0]=4 2409 B12R1.283 C=C(C)c1ccccc1SCC 271570a_100000694244_100000230856 [0,1,0,0,0,0|3,0,0]=4 2410 B12R1.283 C=CCc1ccccc1C(=C)C 271570a_100000694244_100009828059 [0,1,0,0,0,0|2,0,1]=4 2411 B12R1.283 CC(=O)c1ccccc1CC#N 1458a_100000010604_200000210301 [0,1,0,0,0,0|1,0,2]=4 2412 B12R1.283 CC(=O)c1ccccc1SCF 62a_100000751169_100015361967 [0,1,0,0,0,0|3,0,0]=4 2413 B12R1.283 CC(C)c1ccccc1NCF 34a_100000210643_100015361967 [0,1,0,0,0,0|3,0,0]=4 2414 B12R1.283 CC(C)c1ccccc1NCF 7a_100000210643_100015361967 [0,1,0,0,0,0|3,0,0]=4 2415 B12R1.283 CC(C)c1ccccc1OCF 34a_100000211617_100015361967 [0,1,0,0,0,0|3,0,0]=4 2416 B12R1.283 CC(C)c1ccccc1OCF 7a_100000211617_100015361967 [0,1,0,0,0,0|3,0,0]=4 2417 B12R1.283 CC(C)c1ccccc1SCF 62a_100000708600_100015361967 [0,1,0,0,0,0|3,0,0]=4 2418 B12R1.283 CC(C)c1ccccc1SCF 62a_100015361967_100000708600 [0,1,0,0,0,0|3,0,0]=4 2419 B12R1.283 CC(N)c1ccccc1SCF 62a_100000181357_100015361967 [0,1,0,0,0,0|3,0,0]=4 2420 B12R1.283 CC(N)c1ccccc1SCF 62a_100015361967_100000181357 [0,1,0,0,0,0|3,0,0]=4 2421 B12R1.283 CC(O)c1ccccc1OCF 34a_200011232679_100015361967 [0,1,0,0,0,0|3,0,0]=4 2422 B12R1.283 CC(O)c1ccccc1OCF 7a_200011232679_100015361967 [0,1,0,0,0,0|3,0,0]=4 2423 B12R1.283 CC(O)c1ccccc1SCF 62a_100000702211_100015361967 [0,1,0,0,0,0|3,0,0]=4 2424 B12R1.283 CC(O)c1ccccc1SCF 62a_100015361967_100000702211 [0,1,0,0,0,0|3,0,0]=4 2425 B12R1.283 CCNc1ccccc1C(C)C 2230a_100000210643_100000210202 [0,1,0,0,0,0|3,0,0]=4 2426 B12R1.283 CCNc1ccccc1C(C)C 34a_100000210643_100000210202 [0,1,0,0,0,0|3,0,0]=4 2427 B12R1.283 CCNc1ccccc1C(C)C 7a_100000210643_100000210202 [0,1,0,0,0,0|3,0,0]=4 2428 B12R1.283 CCNc1ccccc1C(C)O 2230a_100011405641_100000210202 [0,1,0,0,0,0|3,0,0]=4 2429 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,1,0,0,0,0|3,0,0]=4 2430 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,1,0,0,0,0|3,0,0]=4 2431 B12R1.283 CCOc1ccccc1C(C)C 34a_100000211617_100000210202 [0,1,0,0,0,0|3,0,0]=4 2432 B12R1.283 CCOc1ccccc1C(C)C 7a_100000211617_100000210202 [0,1,0,0,0,0|3,0,0]=4 2433 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [0,1,0,0,0,0|3,0,0]=4 2434 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [0,1,0,0,0,0|3,0,0]=4 2435 B12R1.283 CCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210202 [0,1,0,0,0,0|3,0,0]=4 2436 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [0,1,0,0,0,0|3,0,0]=4 2437 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [0,1,0,0,0,0|3,0,0]=4 2438 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [0,1,0,0,0,0|3,0,0]=4 2439 B12R1.283 CCSc1ccccc1C(C)C 62a_100000210202_100000708600 [0,1,0,0,0,0|3,0,0]=4 2440 B12R1.283 CCSc1ccccc1C(C)C 62a_100000708600_100000210202 [0,1,0,0,0,0|3,0,0]=4 2441 B12R1.283 CCSc1ccccc1C(C)N 62a_100000181357_100000210202 [0,1,0,0,0,0|3,0,0]=4 2442 B12R1.283 CCSc1ccccc1C(C)N 62a_100000210202_100000181357 [0,1,0,0,0,0|3,0,0]=4 2443 B12R1.283 CCSc1ccccc1C(C)O 62a_100000210202_100000702211 [0,1,0,0,0,0|3,0,0]=4 2444 B12R1.283 CCSc1ccccc1C(C)O 62a_100000702211_100000210202 [0,1,0,0,0,0|3,0,0]=4 2445 B12R1.283 CCSc1ccccc1N(C)C 62a_100000210202_100011290883 [0,1,0,0,0,0|3,0,0]=4 2446 B12R1.283 CCSc1ccccc1N(C)C 62a_100011290883_100000210202 [0,1,0,0,0,0|3,0,0]=4 2447 B12R1.283 CCSc1ccccc1S(=O)C 62a_100000734199_100000210202 [0,1,0,0,0,0|2,1,0]=4 2448 B12R1.283 CN(C)c1ccccc1SCF 62a_100011290883_100015361967 [0,1,0,0,0,0|3,0,0]=4 2449 B12R1.283 CN(C)c1ccccc1SCF 62a_100015361967_100011290883 [0,1,0,0,0,0|3,0,0]=4 2450 B12R1.283 CNCc1ccccc1C(C)C 207a_100102657272_100011361515 [0,1,0,0,0,0|3,0,0]=4 2451 B12R1.283 CNCc1ccccc1C(C)C 26a_100102657272_100000211617 [0,1,0,0,0,0|3,0,0]=4 2452 B12R1.283 CNCc1ccccc1C(C)C 270004a_106832991635_100011361515 [0,1,0,0,0,0|3,0,0]=4 2453 B12R1.283 CNCc1ccccc1N(C)C 207a_100102657272_100000750901 [0,1,0,0,0,0|3,0,0]=4 2454 B12R1.283 CNCc1ccccc1N(C)C 270004a_106832991635_100000750901 [0,1,0,0,0,0|3,0,0]=4 2455 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [0,1,0,0,0,0|3,0,0]=4 2456 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [0,1,0,0,0,0|3,0,0]=4 2457 B12R1.283 CS(=O)c1ccccc1SCF 62a_100000734199_100015361967 [0,1,0,0,0,0|2,1,0]=4 2458 B12R1.283 C[C@@H](N)c1ccccc1OCF 34a_100025703389_100015361967 [0,1,0,0,0,0|3,0,0]=4 2459 B12R1.283 [13CH3]C(=O)c1ccccc1CC#N 1458a_100000010604_200025704644 [0,1,0,0,0,0|1,0,2]=4 2460 B12R1.542 C=C=Cc1cccc(c1OC)Br 271570a_100015277604_100010146560 [0,1,0,0,0,0|1,0,2]=4 2461 B12R1.542 C=C=Cc1cccc(c1OC)C 271570a_100015277604_100010141385 [0,1,0,0,0,0|1,0,2]=4 2462 B12R1.542 C=C=Cc1cccc(c1OC)Cl 271570a_100015277604_100010147678 [0,1,0,0,0,0|1,0,2]=4 2463 B12R1.542 C=C=Cc1cccc(c1OC)F 271570a_100015277604_100009816759 [0,1,0,0,0,0|1,0,2]=4 2464 B12R1.542 C=C=Cc1cccc(c1OC)N 271570a_100015277604_100011935253 [0,1,0,0,0,0|1,0,2]=4 2465 B12R1.542 C=C=Cc1cccc(c1OC)O 271570a_100015277604_100010234590 [0,1,0,0,0,0|1,0,2]=4 2466 B12R1.542 C=CCc1cccc(c1OC)C 34a_200011218211_200000210301 [0,1,0,0,0,0|1,0,1]=3 2467 B12R1.542 C=CCc1cccc(c1OC)C 7a_200011218211_200000210301 [0,1,0,0,0,0|1,0,1]=3 2468 B12R1.542 C=CCc1cccc(c1O[13CH3])C 34a_200011218211_200025704644 [0,1,0,0,0,0|1,0,1]=3 2469 B12R1.542 C=CCc1cccc(c1O[13CH3])C 7a_200011218211_200025704644 [0,1,0,0,0,0|1,0,1]=3 2470 B12R1.542 CC=Cc1cccc(c1OC)Br 271570a_100016259895_100010146560 [0,1,0,0,0,0|1,0,2]=4 2471 B12R1.542 CC=Cc1cccc(c1OC)C 271570a_100016259895_100010141385 [0,1,0,0,0,0|1,0,2]=4 2472 B12R1.542 CC=Cc1cccc(c1OC)Cl 271570a_100016259895_100010147678 [0,1,0,0,0,0|1,0,2]=4 2473 B12R1.542 CC=Cc1cccc(c1OC)F 271570a_100016259895_100009816759 [0,1,0,0,0,0|1,0,2]=4 2474 B12R1.542 CC=Cc1cccc(c1OC)N 271570a_100016259895_100011935253 [0,1,0,0,0,0|1,0,2]=4 2475 B12R1.542 CC=Cc1cccc(c1OC)O 271570a_100016259895_100010234590 [0,1,0,0,0,0|1,0,2]=4 2476 B12R1.542 CCNc1cccc(c1OC)Br 34a_100011935253_100000210202 [0,1,0,0,0,0|2,0,0]=3 2477 B12R1.542 CCNc1cccc(c1OC)C 34a_100012017360_100000210202 [0,1,0,0,0,0|2,0,0]=3 2478 B12R1.542 CCNc1cccc(c1OC)Cl 2230a_100000743799_100000210202 [0,1,0,0,0,0|2,0,0]=3 2479 B12R1.542 CCNc1cccc(c1OC)Cl 34a_100000743799_100000210202 [0,1,0,0,0,0|2,0,0]=3 2480 B12R1.542 CCNc1cccc(c1OC)F 34a_100011215007_100000210202 [0,1,0,0,0,0|2,0,0]=3 2481 B12R1.542 CCOc1cccc(c1NC)Br 34a_200103155331_200000210301 [0,1,0,0,0,0|3,0,0]=4 2482 B12R1.542 CCOc1cccc(c1NC)Cl 34a_100012284057_200000210301 [0,1,0,0,0,0|3,0,0]=4 2483 B12R1.542 CCOc1cccc(c1N[13CH3])Br 34a_200103155331_200025704644 [0,1,0,0,0,0|3,0,0]=4 2484 B12R1.542 CCOc1cccc(c1N[13CH3])Cl 34a_100012284057_200025704644 [0,1,0,0,0,0|3,0,0]=4 2485 B12R1.542 CCOc1cccc(c1OC)Br 34a_100010234590_100000210202 [0,1,0,0,0,0|2,0,0]=3 2486 B12R1.542 CCOc1cccc(c1OC)Cl 34a_200009886253_100000210202 [0,1,0,0,0,0|2,0,0]=3 2487 B12R1.542 CCOc1cccc(c1OC)Cl 7a_200009886253_100000210202 [0,1,0,0,0,0|2,0,0]=3 2488 B12R1.542 CCOc1cccc(c1SC)C 34a_200000099257_100000210202 [0,1,0,0,0,0|2,1,0]=4 2489 B12R1.542 CCOc1cccc(c1SC)C 7a_200000099257_100000210202 [0,1,0,0,0,0|2,1,0]=4 2490 B12R1.542 CCOc1ccnc(c1OC)Cl 34a_100000104430_100000210202 [0,1,0,0,0,0|3,0,0]=4 2491 B12R1.542 CCSc1cccc(c1NC)N 62a_100010510394_100000210202 [0,1,0,0,0,0|3,0,0]=4 2492 B12R1.542 CCSc1cccc(c1OC)Br 62a_100000210202_100010146560 [0,1,0,0,0,0|2,0,0]=3 2493 B12R1.542 CCSc1cccc(c1OC)Br 62a_100010146560_100000210202 [0,1,0,0,0,0|2,0,0]=3 2494 B12R1.542 CCSc1cccc(c1OC)C 62a_100000210202_100010141385 [0,1,0,0,0,0|2,0,0]=3 2495 B12R1.542 CCSc1cccc(c1OC)C 62a_100010141385_100000210202 [0,1,0,0,0,0|2,0,0]=3 2496 B12R1.542 CCSc1cccc(c1OC)Cl 62a_100000210202_100010147678 [0,1,0,0,0,0|2,0,0]=3 2497 B12R1.542 CCSc1cccc(c1OC)Cl 62a_100010147678_100000210202 [0,1,0,0,0,0|2,0,0]=3 2498 B12R1.542 CCSc1cccc(c1OC)F 62a_100000210202_100009816759 [0,1,0,0,0,0|2,0,0]=3 2499 B12R1.542 CCSc1cccc(c1OC)F 62a_100009816759_100000210202 [0,1,0,0,0,0|2,0,0]=3 2500 B12R1.542 CCSc1cccc(c1OC)N 62a_100011935253_100000210202 [0,1,0,0,0,0|2,0,0]=3 2501 B12R1.542 CCSc1cccc(c1OC)O 62a_100000210202_100010234590 [0,1,0,0,0,0|2,0,0]=3 2502 B12R1.542 CCSc1cccc(c1SC)F 62a_100000210202_200010709249 [0,1,0,0,0,0|2,1,0]=4 2503 B12R1.542 CCSc1cccc(c1SC)F 62a_200010709249_100000210202 [0,1,0,0,0,0|2,1,0]=4 2504 B12R1.542 CCSc1ccnc(c1OC)C 62a_100000210202_100000685116 [0,1,0,0,0,0|3,0,0]=4 2505 B12R1.542 CCSc1ccnc(c1OC)C 62a_100000685116_100000210202 [0,1,0,0,0,0|3,0,0]=4 2506 B12R1.542 CCSc1ccnc(c1OC)Cl 62a_100000210202_100010068014 [0,1,0,0,0,0|3,0,0]=4 2507 B12R1.542 CCSc1ccnc(c1OC)Cl 62a_100010068014_100000210202 [0,1,0,0,0,0|3,0,0]=4 2508 B12R1.542 CCSc1ccnc(c1OC)N 62a_100000210202_100009880012 [0,1,0,0,0,0|3,0,0]=4 2509 B12R1.542 CCSc1ccnc(c1OC)N 62a_100009880012_100000210202 [0,1,0,0,0,0|3,0,0]=4 2510 B12R1.542 CCSc1cncc(c1OC)N 62a_100000210202_100012359933 [0,1,0,0,0,0|3,0,0]=4 2511 B12R1.542 CCSc1cncc(c1OC)N 62a_100012359933_100000210202 [0,1,0,0,0,0|3,0,0]=4 2512 B12R1.542 CCSc1nccc(c1OC)N 62a_100000104429_100000210202 [0,1,0,0,0,0|3,0,0]=4 2513 B12R1.542 CCSc1nccc(c1OC)N 62a_100000210202_100000104429 [0,1,0,0,0,0|3,0,0]=4 2514 B12R1.542 CCSc1nccc(c1OC)O 62a_100000210202_100000104430 [0,1,0,0,0,0|3,0,0]=4 2515 B12R1.542 CNCc1cccc(c1OC)Br 207a_100102657272_100000692592 [0,1,0,0,0,0|2,0,0]=3 2516 B12R1.542 CNCc1cccc(c1OC)Br 2230a_106832991635_100011470457 [0,1,0,0,0,0|2,0,0]=3 2517 B12R1.542 CNCc1cccc(c1OC)Br 26a_100102657272_100010234590 [0,1,0,0,0,0|2,0,0]=3 2518 B12R1.542 CNCc1cccc(c1OC)Br 270004a_106832991635_100000692592 [0,1,0,0,0,0|2,0,0]=3 2519 B12R1.542 CNCc1cccc(c1OC)Br 34a_100102657272_100011470457 [0,1,0,0,0,0|2,0,0]=3 2520 B12R1.542 CNCc1cccc(c1OC)Br 7a_106832991635_100011470457 [0,1,0,0,0,0|2,0,0]=3 2521 B12R1.542 CNCc1cccc(c1OC)C 207a_100102657272_100011361485 [0,1,0,0,0,0|2,0,0]=3 2522 B12R1.542 CNCc1cccc(c1OC)C 2230a_106832991635_100012349798 [0,1,0,0,0,0|2,0,0]=3 2523 B12R1.542 CNCc1cccc(c1OC)C 270004a_106832991635_100011361485 [0,1,0,0,0,0|2,0,0]=3 2524 B12R1.542 CNCc1cccc(c1OC)C 34a_100102657272_100012349798 [0,1,0,0,0,0|2,0,0]=3 2525 B12R1.542 CNCc1cccc(c1OC)C 7a_106832991635_100012349798 [0,1,0,0,0,0|2,0,0]=3 2526 B12R1.542 CNCc1cccc(c1OC)Cl 207a_100102657272_100011466644 [0,1,0,0,0,0|2,0,0]=3 2527 B12R1.542 CNCc1cccc(c1OC)Cl 26a_100102657272_200009886253 [0,1,0,0,0,0|2,0,0]=3 2528 B12R1.542 CNCc1cccc(c1OC)Cl 270004a_106832991635_100011466644 [0,1,0,0,0,0|2,0,0]=3 2529 B12R1.542 CNCc1cccc(c1OC)F 207a_100102657272_100011830294 [0,1,0,0,0,0|2,0,0]=3 2530 B12R1.542 CNCc1cccc(c1OC)F 270004a_106832991635_100011830294 [0,1,0,0,0,0|2,0,0]=3 2531 B12R1.542 CNCc1cccc(c1OC)F 34a_100137345168_200000210301 [0,1,0,0,0,0|2,0,0]=3 2532 B12R1.542 CNCc1ccnc(c1OC)Br 270004a_106832991635_200009814792 [0,1,0,0,0,0|3,0,0]=4 2533 B12R1.542 CNCc1ccnc(c1OC)Cl 207a_100102657272_100009863717 [0,1,0,0,0,0|3,0,0]=4 2534 B12R1.542 CNCc1ccnc(c1OC)Cl 270004a_106832991635_100009863717 [0,1,0,0,0,0|3,0,0]=4 2535 B12R1.542 CNCc1cncc(c1OC)Br 207a_100102657272_100015834815 [0,1,0,0,0,0|3,0,0]=4 2536 B12R1.542 CNCc1cncc(c1OC)Br 270004a_106832991635_100015834815 [0,1,0,0,0,0|3,0,0]=4 2537 B12R1.542 CNCc1nccc(c1OC)Cl 2230a_106832991635_100015371371 [0,1,0,0,0,0|3,0,0]=4 2538 B12R1.542 CNCc1nccc(c1OC)Cl 34a_100102657272_100015371371 [0,1,0,0,0,0|3,0,0]=4 2539 B12R1.542 CNCc1nccc(c1OC)Cl 7a_106832991635_100015371371 [0,1,0,0,0,0|3,0,0]=4 2540 B12R1.542 CNc1c(cccc1SCF)N 62a_100010510394_100015361967 [0,1,0,0,0,0|3,0,0]=4 2541 B12R1.542 COCc1cccc(c1OC)Br 34a_100000704359_200000210301 [0,1,0,0,0,0|2,0,0]=3 2542 B12R1.542 COCc1cccc(c1OC)Br 34a_100138415774_100011470457 [0,1,0,0,0,0|2,0,0]=3 2543 B12R1.542 COCc1cccc(c1OC)Br 7a_100000704359_200000210301 [0,1,0,0,0,0|2,0,0]=3 2544 B12R1.542 COCc1cccc(c1OC)C 34a_100012184769_200000210301 [0,1,0,0,0,0|2,0,0]=3 2545 B12R1.542 COCc1cccc(c1OC)C 34a_100138415774_100012349798 [0,1,0,0,0,0|2,0,0]=3 2546 B12R1.542 COCc1cccc(c1OC)C 7a_100012184769_200000210301 [0,1,0,0,0,0|2,0,0]=3 2547 B12R1.542 COCc1cccc(c1OC)F 34a_100011830279_200000210301 [0,1,0,0,0,0|2,0,0]=3 2548 B12R1.542 COCc1cccc(c1OC)F 7a_100011830279_200000210301 [0,1,0,0,0,0|2,0,0]=3 2549 B12R1.542 COCc1nccc(c1OC)Cl 34a_100009869429_200000210301 [0,1,0,0,0,0|3,0,0]=4 2550 B12R1.542 COCc1nccc(c1OC)Cl 34a_100138415774_100015371371 [0,1,0,0,0,0|3,0,0]=4 2551 B12R1.542 COc1c(cccc1CC#N)O 271570a_203496583355_100010146820 [0,1,0,0,0,0|0,0,2]=3 2552 B12R1.542 COc1c(cccc1CN[13CH3])F 34a_100137345168_200025704644 [0,1,0,0,0,0|2,0,0]=3 2553 B12R1.542 COc1c(cccc1CO[13CH3])Br 34a_100000704359_200025704644 [0,1,0,0,0,0|2,0,0]=3 2554 B12R1.542 COc1c(cccc1CO[13CH3])Br 7a_100000704359_200025704644 [0,1,0,0,0,0|2,0,0]=3 2555 B12R1.542 COc1c(cccc1CO[13CH3])C 34a_100012184769_200025704644 [0,1,0,0,0,0|2,0,0]=3 2556 B12R1.542 COc1c(cccc1CO[13CH3])C 7a_100012184769_200025704644 [0,1,0,0,0,0|2,0,0]=3 2557 B12R1.542 COc1c(cccc1CO[13CH3])F 34a_100011830279_200025704644 [0,1,0,0,0,0|2,0,0]=3 2558 B12R1.542 COc1c(cccc1CO[13CH3])F 7a_100011830279_200025704644 [0,1,0,0,0,0|2,0,0]=3 2559 B12R1.542 COc1c(cccc1CSC)Br 62a_100011470457_200000210301 [0,1,0,0,0,0|2,0,0]=3 2560 B12R1.542 COc1c(cccc1CSC)Br 62a_200000210301_100011470457 [0,1,0,0,0,0|2,0,0]=3 2561 B12R1.542 COc1c(cccc1CSC)C 62a_100012349798_200000210301 [0,1,0,0,0,0|2,0,0]=3 2562 B12R1.542 COc1c(cccc1CSC)C 62a_200000210301_100012349798 [0,1,0,0,0,0|2,0,0]=3 2563 B12R1.542 COc1c(cccc1CS[13CH3])Br 62a_100011470457_200025704644 [0,1,0,0,0,0|2,0,0]=3 2564 B12R1.542 COc1c(cccc1CS[13CH3])Br 62a_200025704644_100011470457 [0,1,0,0,0,0|2,0,0]=3 2565 B12R1.542 COc1c(cccc1CS[13CH3])C 62a_100012349798_200025704644 [0,1,0,0,0,0|2,0,0]=3 2566 B12R1.542 COc1c(cccc1CS[13CH3])C 62a_200025704644_100012349798 [0,1,0,0,0,0|2,0,0]=3 2567 B12R1.542 COc1c(cccc1NCF)Br 34a_100011935253_100015361967 [0,1,0,0,0,0|2,0,0]=3 2568 B12R1.542 COc1c(cccc1NCF)C 34a_100012017360_100015361967 [0,1,0,0,0,0|2,0,0]=3 2569 B12R1.542 COc1c(cccc1NCF)Cl 34a_100000743799_100015361967 [0,1,0,0,0,0|2,0,0]=3 2570 B12R1.542 COc1c(cccc1NCF)F 34a_100011215007_100015361967 [0,1,0,0,0,0|2,0,0]=3 2571 B12R1.542 COc1c(cccc1OCF)Br 34a_100010234590_100015361967 [0,1,0,0,0,0|2,0,0]=3 2572 B12R1.542 COc1c(cccc1OCF)Cl 34a_200009886253_100015361967 [0,1,0,0,0,0|2,0,0]=3 2573 B12R1.542 COc1c(cccc1OCF)Cl 7a_200009886253_100015361967 [0,1,0,0,0,0|2,0,0]=3 2574 B12R1.542 COc1c(cccc1SCF)Br 62a_100010146560_100015361967 [0,1,0,0,0,0|2,0,0]=3 2575 B12R1.542 COc1c(cccc1SCF)Br 62a_100015361967_100010146560 [0,1,0,0,0,0|2,0,0]=3 2576 B12R1.542 COc1c(cccc1SCF)C 62a_100010141385_100015361967 [0,1,0,0,0,0|2,0,0]=3 2577 B12R1.542 COc1c(cccc1SCF)C 62a_100015361967_100010141385 [0,1,0,0,0,0|2,0,0]=3 2578 B12R1.542 COc1c(cccc1SCF)Cl 62a_100010147678_100015361967 [0,1,0,0,0,0|2,0,0]=3 2579 B12R1.542 COc1c(cccc1SCF)Cl 62a_100015361967_100010147678 [0,1,0,0,0,0|2,0,0]=3 2580 B12R1.542 COc1c(cccc1SCF)F 62a_100009816759_100015361967 [0,1,0,0,0,0|2,0,0]=3 2581 B12R1.542 COc1c(cccc1SCF)F 62a_100015361967_100009816759 [0,1,0,0,0,0|2,0,0]=3 2582 B12R1.542 COc1c(cccc1SCF)N 62a_100011935253_100015361967 [0,1,0,0,0,0|2,0,0]=3 2583 B12R1.542 COc1c(cccc1SCF)O 62a_100015361967_100010234590 [0,1,0,0,0,0|2,0,0]=3 2584 B12R1.542 COc1c(ccnc1C)SCF 62a_100000685116_100015361967 [0,1,0,0,0,0|3,0,0]=4 2585 B12R1.542 COc1c(ccnc1C)SCF 62a_100015361967_100000685116 [0,1,0,0,0,0|3,0,0]=4 2586 B12R1.542 COc1c(ccnc1CO[13CH3])Cl 34a_100009869429_200025704644 [0,1,0,0,0,0|3,0,0]=4 2587 B12R1.542 COc1c(ccnc1CSC)Cl 62a_100015371371_200000210301 [0,1,0,0,0,0|3,0,0]=4 2588 B12R1.542 COc1c(ccnc1CSC)Cl 62a_200000210301_100015371371 [0,1,0,0,0,0|3,0,0]=4 2589 B12R1.542 COc1c(ccnc1CS[13CH3])Cl 62a_100015371371_200025704644 [0,1,0,0,0,0|3,0,0]=4 2590 B12R1.542 COc1c(ccnc1CS[13CH3])Cl 62a_200025704644_100015371371 [0,1,0,0,0,0|3,0,0]=4 2591 B12R1.542 COc1c(ccnc1Cl)OCF 34a_100000104430_100015361967 [0,1,0,0,0,0|3,0,0]=4 2592 B12R1.542 COc1c(ccnc1Cl)SCF 62a_100010068014_100015361967 [0,1,0,0,0,0|3,0,0]=4 2593 B12R1.542 COc1c(ccnc1Cl)SCF 62a_100015361967_100010068014 [0,1,0,0,0,0|3,0,0]=4 2594 B12R1.542 COc1c(ccnc1N)SCF 62a_100009880012_100015361967 [0,1,0,0,0,0|3,0,0]=4 2595 B12R1.542 COc1c(ccnc1N)SCF 62a_100015361967_100009880012 [0,1,0,0,0,0|3,0,0]=4 2596 B12R1.542 COc1c(ccnc1SCF)N 62a_100000104429_100015361967 [0,1,0,0,0,0|3,0,0]=4 2597 B12R1.542 COc1c(ccnc1SCF)N 62a_100015361967_100000104429 [0,1,0,0,0,0|3,0,0]=4 2598 B12R1.542 COc1c(ccnc1SCF)O 62a_100015361967_100000104430 [0,1,0,0,0,0|3,0,0]=4 2599 B12R1.542 COc1c(cncc1SCF)N 62a_100012359933_100015361967 [0,1,0,0,0,0|3,0,0]=4 2600 B12R1.542 COc1c(cncc1SCF)N 62a_100015361967_100012359933 [0,1,0,0,0,0|3,0,0]=4 2601 B12R1.542 CSc1c(cccc1CC#N)C 62a_100010147024_200000210301 [0,1,0,0,0,0|0,1,2]=4 2602 B12R1.542 CSc1c(cccc1CC#N)C 62a_200000210301_100010147024 [0,1,0,0,0,0|0,1,2]=4 2603 B12R1.542 CSc1c(cccc1OCF)C 34a_200000099257_100015361967 [0,1,0,0,0,0|2,1,0]=4 2604 B12R1.542 CSc1c(cccc1OCF)C 7a_200000099257_100015361967 [0,1,0,0,0,0|2,1,0]=4 2605 B12R1.542 CSc1c(cccc1SCF)F 62a_100015361967_200010709249 [0,1,0,0,0,0|2,1,0]=4 2606 B12R1.542 CSc1c(cccc1SCF)F 62a_200010709249_100015361967 [0,1,0,0,0,0|2,1,0]=4 2607 B12R1.542 Cc1cccc(c1S[13CH3])CC#N 62a_100010147024_200025704644 [0,1,0,0,0,0|0,1,2]=4 2608 B12R1.542 Cc1cccc(c1S[13CH3])CC#N 62a_200025704644_100010147024 [0,1,0,0,0,0|0,1,2]=4 2609 B12R1.1112 C=C=Cc1c(cccc1OC)Br 271570a_100015277604_100010131421 [0,1,0,0,0,0|1,0,2]=4 2610 B12R1.1112 C=C=Cc1c(cccc1OC)F 271570a_100015277604_100000041735 [0,1,0,0,0,0|1,0,2]=4 2611 B12R1.1112 C=C=Cc1c(cccc1OC)N 271570a_100015277604_100000703447 [0,1,0,0,0,0|1,0,2]=4 2612 B12R1.1112 C=C=Cc1c(cccc1OC)O 271570a_100015277604_100010202623 [0,1,0,0,0,0|1,0,2]=4 2613 B12R1.1112 CC=Cc1c(cccc1OC)Br 271570a_100016259895_100010131421 [0,1,0,0,0,0|1,0,2]=4 2614 B12R1.1112 CC=Cc1c(cccc1OC)F 271570a_100016259895_100000041735 [0,1,0,0,0,0|1,0,2]=4 2615 B12R1.1112 CC=Cc1c(cccc1OC)N 271570a_100016259895_100000703447 [0,1,0,0,0,0|1,0,2]=4 2616 B12R1.1112 CC=Cc1c(cccc1OC)O 271570a_100016259895_100010202623 [0,1,0,0,0,0|1,0,2]=4 2617 B12R1.1112 CCNc1c(cccc1CC)C 2230a_100000210048_100000210202 [0,1,0,0,0,0|3,0,0]=4 2618 B12R1.1112 CCNc1c(cccc1CC)C 34a_100000210048_100000210202 [0,1,0,0,0,0|3,0,0]=4 2619 B12R1.1112 CCNc1c(cccc1CC)C 7a_100000210048_100000210202 [0,1,0,0,0,0|3,0,0]=4 2620 B12R1.1112 CCNc1c(cccc1OC)Br 34a_100000708083_100000210202 [0,1,0,0,0,0|2,0,0]=3 2621 B12R1.1112 CCNc1c(cccc1OC)C 2230a_100000758225_100000210202 [0,1,0,0,0,0|2,0,0]=3 2622 B12R1.1112 CCNc1c(cccc1OC)C 34a_100000758225_100000210202 [0,1,0,0,0,0|2,0,0]=3 2623 B12R1.1112 CCNc1c(cccc1OC)Cl 34a_100011309317_100000210202 [0,1,0,0,0,0|2,0,0]=3 2624 B12R1.1112 CCNc1c(cccc1OC)F 34a_100000686744_100000210202 [0,1,0,0,0,0|2,0,0]=3 2625 B12R1.1112 CCNc1c(cccc1OC)O 34a_100012022766_100000210202 [0,1,0,0,0,0|2,0,0]=3 2626 B12R1.1112 CCOc1c(cccc1CC)Br 34a_200010001580_100000210202 [0,1,0,0,0,0|3,0,0]=4 2627 B12R1.1112 CCOc1c(cccc1CC)Br 7a_200010001580_100000210202 [0,1,0,0,0,0|3,0,0]=4 2628 B12R1.1112 CCOc1c(cccc1CC)C 34a_100000034007_100000210202 [0,1,0,0,0,0|3,0,0]=4 2629 B12R1.1112 CCOc1c(cccc1CC)C 7a_100000034007_100000210202 [0,1,0,0,0,0|3,0,0]=4 2630 B12R1.1112 CCOc1c(cccc1NC)Cl 2230a_100000744310_200000210301 [0,1,0,0,0,0|3,0,0]=4 2631 B12R1.1112 CCOc1c(cccc1NC)Cl 34a_100000744310_200000210301 [0,1,0,0,0,0|3,0,0]=4 2632 B12R1.1112 CCOc1c(cccc1N[13CH3])Cl 2230a_100000744310_200025704644 [0,1,0,0,0,0|3,0,0]=4 2633 B12R1.1112 CCOc1c(cccc1N[13CH3])Cl 34a_100000744310_200025704644 [0,1,0,0,0,0|3,0,0]=4 2634 B12R1.1112 CCOc1c(cccc1OC)Br 34a_100000686866_100000210202 [0,1,0,0,0,0|2,0,0]=3 2635 B12R1.1112 CCOc1c(cccc1OC)C 34a_100011219253_100000210202 [0,1,0,0,0,0|2,0,0]=3 2636 B12R1.1112 CCOc1c(cccc1OC)C 7a_100011219253_100000210202 [0,1,0,0,0,0|2,0,0]=3 2637 B12R1.1112 CCOc1c(cccc1OC)Cl 34a_100009851661_100000210202 [0,1,0,0,0,0|2,0,0]=3 2638 B12R1.1112 CCOc1c(cccc1OC)Cl 7a_100009851661_100000210202 [0,1,0,0,0,0|2,0,0]=3 2639 B12R1.1112 CCOc1c(cccc1OC)F 34a_100000036725_100000210202 [0,1,0,0,0,0|2,0,0]=3 2640 B12R1.1112 CCOc1c(cccc1OC)F 7a_100000036725_100000210202 [0,1,0,0,0,0|2,0,0]=3 2641 B12R1.1112 CCOc1c(cccc1OC)N 34a_100000123586_100000210202 [0,1,0,0,0,0|2,0,0]=3 2642 B12R1.1112 CCOc1c(cccc1SC)F 62a_100010232518_200000210301 [0,1,0,0,0,0|2,1,0]=4 2643 B12R1.1112 CCOc1c(cccc1SC)F 62a_200000210301_100010232518 [0,1,0,0,0,0|2,1,0]=4 2644 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_100010232518_200025704644 [0,1,0,0,0,0|2,1,0]=4 2645 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_200025704644_100010232518 [0,1,0,0,0,0|2,1,0]=4 2646 B12R1.1112 CCSc1c(cccc1CC)C 62a_100000036235_100000210202 [0,1,0,0,0,0|3,0,0]=4 2647 B12R1.1112 CCSc1c(cccc1CC)C 62a_100000210202_100000036235 [0,1,0,0,0,0|3,0,0]=4 2648 B12R1.1112 CCSc1c(cccc1OC)Br 62a_100000210202_100010131421 [0,1,0,0,0,0|2,0,0]=3 2649 B12R1.1112 CCSc1c(cccc1OC)Br 62a_100010131421_100000210202 [0,1,0,0,0,0|2,0,0]=3 2650 B12R1.1112 CCSc1c(cccc1OC)C 62a_100000210202_100010191535 [0,1,0,0,0,0|2,0,0]=3 2651 B12R1.1112 CCSc1c(cccc1OC)C 62a_100010191535_100000210202 [0,1,0,0,0,0|2,0,0]=3 2652 B12R1.1112 CCSc1c(cccc1OC)F 62a_100000210202_100000703912 [0,1,0,0,0,0|2,0,0]=3 2653 B12R1.1112 CCSc1c(cccc1OC)F 62a_100000703912_100000210202 [0,1,0,0,0,0|2,0,0]=3 2654 B12R1.1112 CCSc1c(cccc1OC)N 62a_100000210202_100000703447 [0,1,0,0,0,0|2,0,0]=3 2655 B12R1.1112 CCSc1c(cccc1OC)N 62a_100000703447_100000210202 [0,1,0,0,0,0|2,0,0]=3 2656 B12R1.1112 CCSc1c(cccc1OC)O 62a_100000210202_100010202623 [0,1,0,0,0,0|2,0,0]=3 2657 B12R1.1112 CCSc1c(ccnc1Cl)OC 62a_100000210202_100010154655 [0,1,0,0,0,0|3,0,0]=4 2658 B12R1.1112 CCSc1c(ccnc1Cl)OC 62a_100010154655_100000210202 [0,1,0,0,0,0|3,0,0]=4 2659 B12R1.1112 CCSc1c(ccnc1OC)C 62a_100000210202_100012353928 [0,1,0,0,0,0|3,0,0]=4 2660 B12R1.1112 CCSc1c(ccnc1OC)C 62a_100012353928_100000210202 [0,1,0,0,0,0|3,0,0]=4 2661 B12R1.1112 CCSc1c(ccnc1OC)N 62a_100000210202_100010243811 [0,1,0,0,0,0|3,0,0]=4 2662 B12R1.1112 CCSc1c(ccnc1OC)N 62a_100010243811_100000210202 [0,1,0,0,0,0|3,0,0]=4 2663 B12R1.1112 CCc1cccc(c1CNC)Br 26a_100102657272_200010001580 [0,1,0,0,0,0|3,0,0]=4 2664 B12R1.1112 CCc1cccc(c1NCF)C 34a_100000210048_100015361967 [0,1,0,0,0,0|3,0,0]=4 2665 B12R1.1112 CCc1cccc(c1NCF)C 7a_100000210048_100015361967 [0,1,0,0,0,0|3,0,0]=4 2666 B12R1.1112 CCc1cccc(c1OCF)Br 34a_200010001580_100015361967 [0,1,0,0,0,0|3,0,0]=4 2667 B12R1.1112 CCc1cccc(c1OCF)Br 7a_200010001580_100015361967 [0,1,0,0,0,0|3,0,0]=4 2668 B12R1.1112 CCc1cccc(c1OCF)C 34a_100000034007_100015361967 [0,1,0,0,0,0|3,0,0]=4 2669 B12R1.1112 CCc1cccc(c1OCF)C 7a_100000034007_100015361967 [0,1,0,0,0,0|3,0,0]=4 2670 B12R1.1112 CCc1cccc(c1SCF)C 62a_100000036235_100015361967 [0,1,0,0,0,0|3,0,0]=4 2671 B12R1.1112 CCc1cccc(c1SCF)C 62a_100015361967_100000036235 [0,1,0,0,0,0|3,0,0]=4 2672 B12R1.1112 CNCc1c(cccc1OC)Br 207a_100102657272_100009814803 [0,1,0,0,0,0|2,0,0]=3 2673 B12R1.1112 CNCc1c(cccc1OC)Br 26a_100102657272_100000686866 [0,1,0,0,0,0|2,0,0]=3 2674 B12R1.1112 CNCc1c(cccc1OC)Br 270004a_106832991635_100009814803 [0,1,0,0,0,0|2,0,0]=3 2675 B12R1.1112 CNCc1c(cccc1OC)C 207a_100102657272_100000050978 [0,1,0,0,0,0|2,0,0]=3 2676 B12R1.1112 CNCc1c(cccc1OC)C 270004a_106832991635_100000050978 [0,1,0,0,0,0|2,0,0]=3 2677 B12R1.1112 CNCc1c(cccc1OC)Cl 207a_100102657272_100000757644 [0,1,0,0,0,0|2,0,0]=3 2678 B12R1.1112 CNCc1c(cccc1OC)Cl 2230a_106832991635_100012349678 [0,1,0,0,0,0|2,0,0]=3 2679 B12R1.1112 CNCc1c(cccc1OC)Cl 270004a_106832991635_100000757644 [0,1,0,0,0,0|2,0,0]=3 2680 B12R1.1112 CNCc1c(cccc1OC)Cl 34a_100102657272_100012349678 [0,1,0,0,0,0|2,0,0]=3 2681 B12R1.1112 CNCc1c(cccc1OC)Cl 7a_106832991635_100012349678 [0,1,0,0,0,0|2,0,0]=3 2682 B12R1.1112 CNCc1c(cccc1OC)F 207a_100102657272_100011216730 [0,1,0,0,0,0|2,0,0]=3 2683 B12R1.1112 CNCc1c(cccc1OC)F 2230a_106832991635_100011216731 [0,1,0,0,0,0|2,0,0]=3 2684 B12R1.1112 CNCc1c(cccc1OC)F 270004a_106832991635_100011216730 [0,1,0,0,0,0|2,0,0]=3 2685 B12R1.1112 CNCc1c(cccc1OC)F 34a_100016992011_200000210301 [0,1,0,0,0,0|2,0,0]=3 2686 B12R1.1112 CNCc1c(cccc1OC)F 34a_100102657272_100011216731 [0,1,0,0,0,0|2,0,0]=3 2687 B12R1.1112 CNCc1c(cccc1OC)F 7a_106832991635_100011216731 [0,1,0,0,0,0|2,0,0]=3 2688 B12R1.1112 CNCc1c(cccc1SC)F 62a_106744473292_200000210301 [0,1,0,0,0,0|2,1,0]=4 2689 B12R1.1112 CNCc1c(cccc1SC)F 62a_200000210301_106744473292 [0,1,0,0,0,0|2,1,0]=4 2690 B12R1.1112 CNCc1c(cccc1S[13CH3])F 62a_106744473292_200025704644 [0,1,0,0,0,0|2,1,0]=4 2691 B12R1.1112 CNCc1c(cccc1S[13CH3])F 62a_200025704644_106744473292 [0,1,0,0,0,0|2,1,0]=4 2692 B12R1.1112 CNCc1c(ccnc1OC)Cl 207a_100102657272_100009849443 [0,1,0,0,0,0|3,0,0]=4 2693 B12R1.1112 CNCc1c(ccnc1OC)Cl 270004a_106832991635_100009849443 [0,1,0,0,0,0|3,0,0]=4 2694 B12R1.1112 CNCc1c(ccnc1OC)I 207a_100102657272_100010160771 [0,1,0,0,0,0|3,0,0]=4 2695 B12R1.1112 COCc1c(cccc1OC)Cl 34a_100138415774_100012349678 [0,1,0,0,0,0|2,0,0]=3 2696 B12R1.1112 COCc1c(cccc1OC)F 34a_100011216733_200000210301 [0,1,0,0,0,0|2,0,0]=3 2697 B12R1.1112 COCc1c(cccc1OC)F 34a_100138415774_100011216731 [0,1,0,0,0,0|2,0,0]=3 2698 B12R1.1112 COCc1c(cccc1OC)F 7a_100011216733_200000210301 [0,1,0,0,0,0|2,0,0]=3 2699 B12R1.1112 COc1cccc(c1CN[13CH3])F 34a_100016992011_200025704644 [0,1,0,0,0,0|2,0,0]=3 2700 B12R1.1112 COc1cccc(c1CO[13CH3])F 34a_100011216733_200025704644 [0,1,0,0,0,0|2,0,0]=3 2701 B12R1.1112 COc1cccc(c1CO[13CH3])F 7a_100011216733_200025704644 [0,1,0,0,0,0|2,0,0]=3 2702 B12R1.1112 COc1cccc(c1CSC)Cl 62a_100012349678_200000210301 [0,1,0,0,0,0|2,0,0]=3 2703 B12R1.1112 COc1cccc(c1CSC)Cl 62a_200000210301_100012349678 [0,1,0,0,0,0|2,0,0]=3 2704 B12R1.1112 COc1cccc(c1CSC)F 62a_100011216731_200000210301 [0,1,0,0,0,0|2,0,0]=3 2705 B12R1.1112 COc1cccc(c1CSC)F 62a_200000210301_100011216731 [0,1,0,0,0,0|2,0,0]=3 2706 B12R1.1112 COc1cccc(c1CS[13CH3])Cl 62a_100012349678_200025704644 [0,1,0,0,0,0|2,0,0]=3 2707 B12R1.1112 COc1cccc(c1CS[13CH3])Cl 62a_200025704644_100012349678 [0,1,0,0,0,0|2,0,0]=3 2708 B12R1.1112 COc1cccc(c1CS[13CH3])F 62a_100011216731_200025704644 [0,1,0,0,0,0|2,0,0]=3 2709 B12R1.1112 COc1cccc(c1CS[13CH3])F 62a_200025704644_100011216731 [0,1,0,0,0,0|2,0,0]=3 2710 B12R1.1112 COc1cccc(c1NCF)Br 34a_100000708083_100015361967 [0,1,0,0,0,0|2,0,0]=3 2711 B12R1.1112 COc1cccc(c1NCF)C 34a_100000758225_100015361967 [0,1,0,0,0,0|2,0,0]=3 2712 B12R1.1112 COc1cccc(c1NCF)Cl 34a_100011309317_100015361967 [0,1,0,0,0,0|2,0,0]=3 2713 B12R1.1112 COc1cccc(c1NCF)F 34a_100000686744_100015361967 [0,1,0,0,0,0|2,0,0]=3 2714 B12R1.1112 COc1cccc(c1NCF)O 34a_100012022766_100015361967 [0,1,0,0,0,0|2,0,0]=3 2715 B12R1.1112 COc1cccc(c1OCF)Br 34a_100000686866_100015361967 [0,1,0,0,0,0|2,0,0]=3 2716 B12R1.1112 COc1cccc(c1OCF)C 34a_100011219253_100015361967 [0,1,0,0,0,0|2,0,0]=3 2717 B12R1.1112 COc1cccc(c1OCF)C 7a_100011219253_100015361967 [0,1,0,0,0,0|2,0,0]=3 2718 B12R1.1112 COc1cccc(c1OCF)Cl 34a_100009851661_100015361967 [0,1,0,0,0,0|2,0,0]=3 2719 B12R1.1112 COc1cccc(c1OCF)Cl 7a_100009851661_100015361967 [0,1,0,0,0,0|2,0,0]=3 2720 B12R1.1112 COc1cccc(c1OCF)F 34a_100000036725_100015361967 [0,1,0,0,0,0|2,0,0]=3 2721 B12R1.1112 COc1cccc(c1OCF)F 7a_100000036725_100015361967 [0,1,0,0,0,0|2,0,0]=3 2722 B12R1.1112 COc1cccc(c1OCF)N 34a_100000123586_100015361967 [0,1,0,0,0,0|2,0,0]=3 2723 B12R1.1112 COc1cccc(c1SCF)Br 62a_100010131421_100015361967 [0,1,0,0,0,0|2,0,0]=3 2724 B12R1.1112 COc1cccc(c1SCF)Br 62a_100015361967_100010131421 [0,1,0,0,0,0|2,0,0]=3 2725 B12R1.1112 COc1cccc(c1SCF)C 62a_100010191535_100015361967 [0,1,0,0,0,0|2,0,0]=3 2726 B12R1.1112 COc1cccc(c1SCF)C 62a_100015361967_100010191535 [0,1,0,0,0,0|2,0,0]=3 2727 B12R1.1112 COc1cccc(c1SCF)F 62a_100000703912_100015361967 [0,1,0,0,0,0|2,0,0]=3 2728 B12R1.1112 COc1cccc(c1SCF)F 62a_100015361967_100000703912 [0,1,0,0,0,0|2,0,0]=3 2729 B12R1.1112 COc1cccc(c1SCF)N 62a_100000703447_100015361967 [0,1,0,0,0,0|2,0,0]=3 2730 B12R1.1112 COc1cccc(c1SCF)N 62a_100015361967_100000703447 [0,1,0,0,0,0|2,0,0]=3 2731 B12R1.1112 COc1cccc(c1SCF)O 62a_100015361967_100010202623 [0,1,0,0,0,0|2,0,0]=3 2732 B12R1.1112 COc1ccnc(c1SCF)Cl 62a_100010154655_100015361967 [0,1,0,0,0,0|3,0,0]=4 2733 B12R1.1112 COc1ccnc(c1SCF)Cl 62a_100015361967_100010154655 [0,1,0,0,0,0|3,0,0]=4 2734 B12R1.1112 COc1nccc(c1SCF)C 62a_100012353928_100015361967 [0,1,0,0,0,0|3,0,0]=4 2735 B12R1.1112 COc1nccc(c1SCF)C 62a_100015361967_100012353928 [0,1,0,0,0,0|3,0,0]=4 2736 B12R1.1112 COc1nccc(c1SCF)N 62a_100010243811_100015361967 [0,1,0,0,0,0|3,0,0]=4 2737 B12R1.1112 COc1nccc(c1SCF)N 62a_100015361967_100010243811 [0,1,0,0,0,0|3,0,0]=4 2738 B12R1.1112 CSc1cccc(c1CC#N)C 62a_100010147027_200000210301 [0,1,0,0,0,0|0,1,2]=4 2739 B12R1.1112 CSc1cccc(c1CC#N)C 62a_200000210301_100010147027 [0,1,0,0,0,0|0,1,2]=4 2740 B12R1.1112 CSc1cccc(c1CC#N)F 62a_100009817144_200000210301 [0,1,0,0,0,0|0,1,2]=4 2741 B12R1.1112 CSc1cccc(c1CC#N)F 62a_200000210301_100009817144 [0,1,0,0,0,0|0,1,2]=4 2742 B12R1.1112 Cc1cccc(c1CC#N)S[13CH3] 62a_100010147027_200025704644 [0,1,0,0,0,0|0,1,2]=4 2743 B12R1.1112 Cc1cccc(c1CC#N)S[13CH3] 62a_200025704644_100010147027 [0,1,0,0,0,0|0,1,2]=4 2744 B12R1.1112 [13CH3]Sc1cccc(c1CC#N)F 62a_100009817144_200025704644 [0,1,0,0,0,0|0,1,2]=4 2745 B12R1.1112 [13CH3]Sc1cccc(c1CC#N)F 62a_200025704644_100009817144 [0,1,0,0,0,0|0,1,2]=4 2746 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,0,0,1,0,0|3,0,0]=4 2747 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,0,0,1,0,0|3,0,0]=4 2748 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,0,0,1,0,0|2,0,0]=3 2749 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,0,0,1,0,0|3,0,0]=4 2750 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,0,0,1,0,0|3,0,0]=4 2751 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,0,0,1,0,0|3,0,0]=4 2752 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,0,0,1,0,0|3,0,0]=4 2753 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,0,0,1,0,0|3,0,0]=4 2754 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,0,0,1,0,0|2,0,0]=3 2755 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,0,0,1,0,0|3,0,0]=4 2756 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,0,0,1,0,0|3,0,0]=4 2757 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,0,0,1,0,0|3,0,0]=4 2758 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,0,0,1,0,0|3,0,0]=4 2759 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,0,0,1,0,0|3,0,0]=4 2760 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,0,0,1,0,0|3,0,0]=4 2761 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,0,0,1,0,0|3,0,0]=4 2762 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,0,0,1,0,0|3,0,0]=4 2763 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,0,0,1,0,0|3,0,0]=4 2764 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,0,0,1,0,0|3,0,0]=4 2765 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,0,0,1,0,0|3,0,0]=4 2766 B12R2.315 C=Cc1cccc2c1CCC2 271570a_100011290941_100010343934 [0,0,0,1,0,0|2,0,1]=4 2767 B12R2.315 C=Cc1cccc2c1CCN2 271570a_100011290941_100009817896 [0,0,0,1,0,0|1,0,1]=3 2768 B12R2.315 C=Cc1cccc2c1CCO2 271570a_100011290941_100009819624 [0,0,0,1,0,0|2,0,1]=4 2769 B12R2.315 C=Cc1nccc2c1CCN2 271570a_100011290941_100000104060 [0,0,0,1,0,0|2,0,1]=4 2770 B12R2.315 CNc1cccc2c1CCC2 2230a_100000043548_200000210301 [0,0,0,1,0,0|2,0,0]=3 2771 B12R2.315 CNc1cccc2c1CCC2 34a_100000043548_200000210301 [0,0,0,1,0,0|2,0,0]=3 2772 B12R2.315 CNc1cccc2c1CCO2 2230a_100000084147_200000210301 [0,0,0,1,0,0|2,0,0]=3 2773 B12R2.315 CNc1cccc2c1CCO2 34a_100000084147_200000210301 [0,0,0,1,0,0|2,0,0]=3 2774 B12R2.315 CNc1cccc2c1COC2 2230a_100000125316_200000210301 [0,0,0,1,0,0|3,0,0]=4 2775 B12R2.315 CNc1cccc2c1COC2 34a_100000125316_200000210301 [0,0,0,1,0,0|3,0,0]=4 2776 B12R2.315 CNc1cccc2c1OCC2 2230a_100000102157_200000210301 [0,0,0,1,0,0|3,0,0]=4 2777 B12R2.315 CNc1cccc2c1OCC2 34a_100000102157_200000210301 [0,0,0,1,0,0|3,0,0]=4 2778 B12R2.315 CNc1cccc2c1OCO2 2230a_100000699912_200000210301 [0,0,0,1,0,0|3,0,0]=4 2779 B12R2.315 CNc1cccc2c1OCO2 34a_100000699912_200000210301 [0,0,0,1,0,0|3,0,0]=4 2780 B12R2.315 CNc1ccnc2c1CCC2 27a_100102657272_100000102697 [0,0,0,1,0,0|3,0,0]=4 2781 B12R2.315 CNc1ncnc2c1CCN2 27a_100102657272_200000104052 [0,0,0,1,0,0|3,0,0]=4 2782 B12R2.315 COc1cccc2c1CCC2 34a_100000074356_200000210301 [0,0,0,1,0,0|1,0,0]=2 2783 B12R2.315 COc1cccc2c1CCC2 7a_100000074356_200000210301 [0,0,0,1,0,0|1,0,0]=2 2784 B12R2.315 COc1cccc2c1CCN2 34a_100000703684_200000210301 [0,0,0,1,0,0|0,0,0]=1 2785 B12R2.315 COc1cccc2c1CCO2 34a_100000090053_200000210301 [0,0,0,1,0,0|1,0,0]=2 2786 B12R2.315 COc1cccc2c1CCO2 7a_100000090053_200000210301 [0,0,0,1,0,0|1,0,0]=2 2787 B12R2.315 COc1cccc2c1CNC2 34a_100015191671_200000210301 [0,0,0,1,0,0|2,0,0]=3 2788 B12R2.315 COc1cccc2c1OCO2 34a_100000046630_200000210301 [0,0,0,1,0,0|2,0,0]=3 2789 B12R2.315 COc1cccc2c1OCO2 7a_100000046630_200000210301 [0,0,0,1,0,0|2,0,0]=3 2790 B12R2.315 COc1cccc2c1cc[nH]2 34a_100000763377_200000210301 [0,0,0,1,0,0|0,0,2]=3 2791 B12R2.315 COc1cccc2c1ccs2 34a_100000077759_200000210301 [0,0,0,1,0,0|1,0,2]=4 2792 B12R2.315 COc1cccc2c1ccs2 7a_100000077759_200000210301 [0,0,0,1,0,0|1,0,2]=4 2793 B12R2.315 COc1cccc2c1ncs2 34a_100000101385_200000210301 [0,0,0,1,0,0|2,0,1]=4 2794 B12R2.315 COc1cccc2c1ncs2 7a_100000101385_200000210301 [0,0,0,1,0,0|2,0,1]=4 2795 B12R2.315 CSc1cccc2c1CC=C2 62a_100009844718_200000210301 [0,0,0,1,0,0|1,1,1]=4 2796 B12R2.315 CSc1cccc2c1CC=C2 62a_200000210301_100009844718 [0,0,0,1,0,0|1,1,1]=4 2797 B12R2.315 CSc1cccc2c1CCC2 62a_100010343934_200000210301 [0,0,0,1,0,0|1,1,0]=3 2798 B12R2.315 CSc1cccc2c1CCC2 62a_200000210301_100010343934 [0,0,0,1,0,0|1,1,0]=3 2799 B12R2.315 CSc1cccc2c1CCN2 62a_100009817896_200000210301 [0,0,0,1,0,0|0,1,0]=2 2800 B12R2.315 CSc1cccc2c1CCN2 62a_200000210301_100009817896 [0,0,0,1,0,0|0,1,0]=2 2801 B12R2.315 CSc1cccc2c1CCO2 62a_100009819624_200000210301 [0,0,0,1,0,0|1,1,0]=3 2802 B12R2.315 CSc1cccc2c1CCO2 62a_200000210301_100009819624 [0,0,0,1,0,0|1,1,0]=3 2803 B12R2.315 CSc1cccc2c1CNC2 62a_100000703859_200000210301 [0,0,0,1,0,0|2,1,0]=4 2804 B12R2.315 CSc1cccc2c1CNC2 62a_200000210301_100000703859 [0,0,0,1,0,0|2,1,0]=4 2805 B12R2.315 CSc1cccc2c1COC2 62a_100010384907_200000210301 [0,0,0,1,0,0|2,1,0]=4 2806 B12R2.315 CSc1cccc2c1COC2 62a_200000210301_100010384907 [0,0,0,1,0,0|2,1,0]=4 2807 B12R2.315 CSc1cccc2c1NCC2 62a_100016995435_200000210301 [0,0,0,1,0,0|2,1,0]=4 2808 B12R2.315 CSc1cccc2c1NCC2 62a_200000210301_100016995435 [0,0,0,1,0,0|2,1,0]=4 2809 B12R2.315 CSc1cccc2c1OCC2 62a_100009818991_200000210301 [0,0,0,1,0,0|2,1,0]=4 2810 B12R2.315 CSc1cccc2c1OCC2 62a_200000210301_100009818991 [0,0,0,1,0,0|2,1,0]=4 2811 B12R2.315 CSc1cccc2c1cc[nH]2 62a_200000210301_100000685724 [0,0,0,1,0,0|0,1,2]=4 2812 B12R2.315 CSc1cccc2c1cn[nH]2 62a_200000210301_100000753301 [0,0,0,1,0,0|1,1,1]=4 2813 B12R2.315 CSc1cccc2c1nc[nH]2 62a_200000210301_100011935113 [0,0,0,1,0,0|1,1,1]=4 2814 B12R2.315 CSc1ccnc2c1CCC2 62a_100000102697_200000210301 [0,0,0,1,0,0|2,1,0]=4 2815 B12R2.315 CSc1ccnc2c1CCC2 62a_200000210301_100000102697 [0,0,0,1,0,0|2,1,0]=4 2816 B12R2.315 CSc1nccc2c1CCN2 62a_100000104060_200000210301 [0,0,0,1,0,0|1,1,0]=3 2817 B12R2.315 CSc1nccc2c1CCN2 62a_200000210301_100000104060 [0,0,0,1,0,0|1,1,0]=3 2818 B12R2.315 CSc1ncnc2c1CCN2 62a_200000104052_200000210301 [0,0,0,1,0,0|2,1,0]=4 2819 B12R2.315 CSc1ncnc2c1CCN2 62a_200000210301_200000104052 [0,0,0,1,0,0|2,1,0]=4 2820 B12R2.315 [13CH3]Nc1cccc2c1CCC2 2230a_100000043548_200025704644 [0,0,0,1,0,0|2,0,0]=3 2821 B12R2.315 [13CH3]Nc1cccc2c1CCC2 34a_100000043548_200025704644 [0,0,0,1,0,0|2,0,0]=3 2822 B12R2.315 [13CH3]Nc1cccc2c1CCO2 2230a_100000084147_200025704644 [0,0,0,1,0,0|2,0,0]=3 2823 B12R2.315 [13CH3]Nc1cccc2c1CCO2 34a_100000084147_200025704644 [0,0,0,1,0,0|2,0,0]=3 2824 B12R2.315 [13CH3]Nc1cccc2c1COC2 2230a_100000125316_200025704644 [0,0,0,1,0,0|3,0,0]=4 2825 B12R2.315 [13CH3]Nc1cccc2c1COC2 34a_100000125316_200025704644 [0,0,0,1,0,0|3,0,0]=4 2826 B12R2.315 [13CH3]Nc1cccc2c1OCC2 2230a_100000102157_200025704644 [0,0,0,1,0,0|3,0,0]=4 2827 B12R2.315 [13CH3]Nc1cccc2c1OCC2 34a_100000102157_200025704644 [0,0,0,1,0,0|3,0,0]=4 2828 B12R2.315 [13CH3]Nc1cccc2c1OCO2 2230a_100000699912_200025704644 [0,0,0,1,0,0|3,0,0]=4 2829 B12R2.315 [13CH3]Nc1cccc2c1OCO2 34a_100000699912_200025704644 [0,0,0,1,0,0|3,0,0]=4 2830 B12R2.315 [13CH3]Oc1cccc2c1CCC2 34a_100000074356_200025704644 [0,0,0,1,0,0|1,0,0]=2 2831 B12R2.315 [13CH3]Oc1cccc2c1CCC2 7a_100000074356_200025704644 [0,0,0,1,0,0|1,0,0]=2 2832 B12R2.315 [13CH3]Oc1cccc2c1CCN2 34a_100000703684_200025704644 [0,0,0,1,0,0|0,0,0]=1 2833 B12R2.315 [13CH3]Oc1cccc2c1CCO2 34a_100000090053_200025704644 [0,0,0,1,0,0|1,0,0]=2 2834 B12R2.315 [13CH3]Oc1cccc2c1CCO2 7a_100000090053_200025704644 [0,0,0,1,0,0|1,0,0]=2 2835 B12R2.315 [13CH3]Oc1cccc2c1CNC2 34a_100015191671_200025704644 [0,0,0,1,0,0|2,0,0]=3 2836 B12R2.315 [13CH3]Oc1cccc2c1OCO2 34a_100000046630_200025704644 [0,0,0,1,0,0|2,0,0]=3 2837 B12R2.315 [13CH3]Oc1cccc2c1OCO2 7a_100000046630_200025704644 [0,0,0,1,0,0|2,0,0]=3 2838 B12R2.315 [13CH3]Oc1cccc2c1cc[nH]2 34a_100000763377_200025704644 [0,0,0,1,0,0|0,0,2]=3 2839 B12R2.315 [13CH3]Oc1cccc2c1ccs2 34a_100000077759_200025704644 [0,0,0,1,0,0|1,0,2]=4 2840 B12R2.315 [13CH3]Oc1cccc2c1ccs2 7a_100000077759_200025704644 [0,0,0,1,0,0|1,0,2]=4 2841 B12R2.315 [13CH3]Oc1cccc2c1ncs2 34a_100000101385_200025704644 [0,0,0,1,0,0|2,0,1]=4 2842 B12R2.315 [13CH3]Oc1cccc2c1ncs2 7a_100000101385_200025704644 [0,0,0,1,0,0|2,0,1]=4 2843 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_100009844718_200025704644 [0,0,0,1,0,0|1,1,1]=4 2844 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_200025704644_100009844718 [0,0,0,1,0,0|1,1,1]=4 2845 B12R2.315 [13CH3]Sc1cccc2c1CCC2 62a_100010343934_200025704644 [0,0,0,1,0,0|1,1,0]=3 2846 B12R2.315 [13CH3]Sc1cccc2c1CCC2 62a_200025704644_100010343934 [0,0,0,1,0,0|1,1,0]=3 2847 B12R2.315 [13CH3]Sc1cccc2c1CCN2 62a_100009817896_200025704644 [0,0,0,1,0,0|0,1,0]=2 2848 B12R2.315 [13CH3]Sc1cccc2c1CCN2 62a_200025704644_100009817896 [0,0,0,1,0,0|0,1,0]=2 2849 B12R2.315 [13CH3]Sc1cccc2c1CCO2 62a_100009819624_200025704644 [0,0,0,1,0,0|1,1,0]=3 2850 B12R2.315 [13CH3]Sc1cccc2c1CCO2 62a_200025704644_100009819624 [0,0,0,1,0,0|1,1,0]=3 2851 B12R2.315 [13CH3]Sc1cccc2c1CNC2 62a_100000703859_200025704644 [0,0,0,1,0,0|2,1,0]=4 2852 B12R2.315 [13CH3]Sc1cccc2c1CNC2 62a_200025704644_100000703859 [0,0,0,1,0,0|2,1,0]=4 2853 B12R2.315 [13CH3]Sc1cccc2c1COC2 62a_100010384907_200025704644 [0,0,0,1,0,0|2,1,0]=4 2854 B12R2.315 [13CH3]Sc1cccc2c1COC2 62a_200025704644_100010384907 [0,0,0,1,0,0|2,1,0]=4 2855 B12R2.315 [13CH3]Sc1cccc2c1NCC2 62a_100016995435_200025704644 [0,0,0,1,0,0|2,1,0]=4 2856 B12R2.315 [13CH3]Sc1cccc2c1NCC2 62a_200025704644_100016995435 [0,0,0,1,0,0|2,1,0]=4 2857 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_100009818991_200025704644 [0,0,0,1,0,0|2,1,0]=4 2858 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_200025704644_100009818991 [0,0,0,1,0,0|2,1,0]=4 2859 B12R2.315 [13CH3]Sc1cccc2c1cc[nH]2 62a_200025704644_100000685724 [0,0,0,1,0,0|0,1,2]=4 2860 B12R2.315 [13CH3]Sc1cccc2c1cn[nH]2 62a_200025704644_100000753301 [0,0,0,1,0,0|1,1,1]=4 2861 B12R2.315 [13CH3]Sc1cccc2c1nc[nH]2 62a_200025704644_100011935113 [0,0,0,1,0,0|1,1,1]=4 2862 B12R2.315 [13CH3]Sc1ccnc2c1CCC2 62a_100000102697_200025704644 [0,0,0,1,0,0|2,1,0]=4 2863 B12R2.315 [13CH3]Sc1ccnc2c1CCC2 62a_200025704644_100000102697 [0,0,0,1,0,0|2,1,0]=4 2864 B12R2.315 [13CH3]Sc1nccc2c1CCN2 62a_100000104060_200025704644 [0,0,0,1,0,0|1,1,0]=3 2865 B12R2.315 [13CH3]Sc1nccc2c1CCN2 62a_200025704644_100000104060 [0,0,0,1,0,0|1,1,0]=3 2866 B12R2.315 [13CH3]Sc1ncnc2c1CCN2 62a_200000104052_200025704644 [0,0,0,1,0,0|2,1,0]=4 2867 B12R2.315 [13CH3]Sc1ncnc2c1CCN2 62a_200025704644_200000104052 [0,0,0,1,0,0|2,1,0]=4 2868 B12R2.2048 C=Cc1ccccc1C2CC2 271570a_100011290941_100009819954 [0,0,0,1,0,0|2,0,1]=4 2869 B12R2.2048 CCc1ccccc1C2CC2 271570a_100011220607_100011215823 [0,0,0,1,0,0|2,0,0]=3 2870 B12R2.2048 CCc1ccncc1C2CC2 271570a_100011220607_100009819861 [0,0,0,1,0,0|3,0,0]=4 2871 B12R2.2048 CCc1cnccc1C2CC2 271570a_100011220607_100025704421 [0,0,0,1,0,0|3,0,0]=4 2872 B12R2.2048 CCc1ncccc1C2CC2 271570a_100011220607_100009877225 [0,0,0,1,0,0|3,0,0]=4 2873 B12R2.2048 CNc1ccccc1C2CC2 271570a_100011220607_100020606079 [0,0,0,1,0,0|2,0,0]=3 2874 B12R2.2048 CNc1ccccc1C2CC2 34a_100011236190_200000210301 [0,0,0,1,0,0|2,0,0]=3 2875 B12R2.2048 CNc1cccnc1C2CC2 271570a_100011220607_200011806188 [0,0,0,1,0,0|3,0,0]=4 2876 B12R2.2048 CNc1ccncc1C2CC2 271570a_100011220607_100010069531 [0,0,0,1,0,0|3,0,0]=4 2877 B12R2.2048 CNc1ncccc1C2CC2 271570a_100011220607_100000700899 [0,0,0,1,0,0|3,0,0]=4 2878 B12R2.2048 COc1ccccc1C2CC2 271570a_100011220607_100000174000 [0,0,0,1,0,0|1,0,0]=2 2879 B12R2.2048 COc1cccnc1C2CC2 271570a_100011220607_100000690851 [0,0,0,1,0,0|2,0,0]=3 2880 B12R2.2048 COc1ccncc1C2CC2 271570a_100011220607_100011997281 [0,0,0,1,0,0|2,0,0]=3 2881 B12R2.2048 COc1cnccc1C2CC2 271570a_100011220607_100016988167 [0,0,0,1,0,0|2,0,0]=3 2882 B12R2.2048 COc1cncnc1C2CC2 271570a_100011220607_100012001275 [0,0,0,1,0,0|3,0,0]=4 2883 B12R2.2048 COc1ncccc1C2CC2 271570a_100011220607_100000047025 [0,0,0,1,0,0|2,0,0]=3 2884 B12R2.2048 COc1nccnc1C2CC2 271570a_100011220607_100000749998 [0,0,0,1,0,0|3,0,0]=4 2885 B12R2.2048 COc1ncncc1C2CC2 271570a_100011220607_100000719902 [0,0,0,1,0,0|3,0,0]=4 2886 B12R2.2048 CSc1ccccc1C2CC2 271570a_100011220607_100011217816 [0,0,0,1,0,0|1,1,0]=3 2887 B12R2.2048 CSc1ccccc1C2CC2 62a_100009819954_200000210301 [0,0,0,1,0,0|1,1,0]=3 2888 B12R2.2048 CSc1ccccc1C2CC2 62a_200000210301_100009819954 [0,0,0,1,0,0|1,1,0]=3 2889 B12R2.2048 CSc1ncccc1C2CC2 271570a_100011220607_100011465278 [0,0,0,1,0,0|2,1,0]=4 2890 B12R2.2048 CSc1ncccc1C2CC2 62a_200000210301_100009851976 [0,0,0,1,0,0|2,1,0]=4 2891 B12R2.2048 CSc1ncccc1C2CC2 62a_200009850273_200000210301 [0,0,0,1,0,0|2,1,0]=4 2892 B12R2.2048 N#Cc1ccccc1C2CC2 271570a_100011220607_100000188569 [0,0,0,1,0,0|3,0,0]=4 2893 B12R2.2048 NCc1ccccc1C2CC2 271570a_100011220607_100000689332 [0,0,0,1,0,0|3,0,0]=4 2894 B12R2.2048 NNc1ccccc1C2CC2 271570a_100011220607_100000241748 [0,0,0,1,0,0|3,0,0]=4 2895 B12R2.2048 O=Cc1ccccc1C2CC2 271570a_100011220607_100000211189 [0,0,0,1,0,0|3,0,0]=4 2896 B12R2.2048 OCc1ccccc1C2CC2 271570a_100011220607_100000187465 [0,0,0,1,0,0|3,0,0]=4 2897 B12R2.2048 [13CH3]Nc1ccccc1C2CC2 34a_100011236190_200025704644 [0,0,0,1,0,0|2,0,0]=3 2898 B12R2.2048 [13CH3]Sc1ccccc1C2CC2 62a_100009819954_200025704644 [0,0,0,1,0,0|1,1,0]=3 2899 B12R2.2048 [13CH3]Sc1ccccc1C2CC2 62a_200025704644_100009819954 [0,0,0,1,0,0|1,1,0]=3 2900 B12R2.2048 [13CH3]Sc1ncccc1C2CC2 62a_200009850273_200025704644 [0,0,0,1,0,0|2,1,0]=4 2901 B12R2.2048 [13CH3]Sc1ncccc1C2CC2 62a_200025704644_100009851976 [0,0,0,1,0,0|2,1,0]=4 2902 B10R1.5 CNCc1occc1OC 207a_100102657272_200009856553 [0,0,0,0,1,0|3,0,0]=4 2903 B10R1.5 CNCc1occc1OC 270004a_106832991635_200009856553 [0,0,0,0,1,0|3,0,0]=4 2904 B10R1.5 CNCc1sccc1OC 207a_100102657272_100000689126 [0,0,0,0,1,0|3,0,0]=4 2905 B10R1.5 CNCc1sccc1OC 270004a_106832991635_100000689126 [0,0,0,0,1,0|3,0,0]=4 2906 B9R0.45 CCC/C=C/C=C/COC 34a_100016294078_200000210301 [1,0,1,0,0,0|0,0,2]=4 2907 B9R0.45 CCC/C=C/C=C/CO[13CH3] 34a_100016294078_200025704644 [1,0,1,0,0,0|0,0,2]=4 2908 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|2,0,0]=4 2909 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|2,0,0]=4 2910 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|2,0,0]=4 2911 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|2,0,0]=4 2912 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|2,0,0]=4 2913 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|2,0,0]=4 2914 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 2915 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|2,0,0]=4 2916 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|2,0,0]=4 2917 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 2918 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|2,0,0]=4 2919 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|2,0,0]=4 2920 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 2921 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|2,0,0]=4 2922 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 2923 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|2,0,0]=4 2924 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|2,0,0]=4 2925 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|2,0,0]=4 2926 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 2927 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 2928 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|2,0,0]=4 2929 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|2,0,0]=4 2930 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 2931 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 2932 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 2933 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 2934 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|2,0,0]=4 2935 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|2,0,0]=4 2936 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [2,0,0,0,0,0|0,0,2]=4 2937 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [2,0,0,0,0,0|1,0,1]=4 2938 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,0,0,0,0,0|0,0,2]=4 2939 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|0,0,0]=2 2940 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [2,0,0,0,0,0|1,0,0]=3 2941 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [2,0,0,0,0,0|1,0,0]=3 2942 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [2,0,0,0,0,0|2,0,0]=4 2943 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [2,0,0,0,0,0|1,0,0]=3 2944 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [2,0,0,0,0,0|2,0,0]=4 2945 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [2,0,0,0,0,0|2,0,0]=4 2946 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [2,0,0,0,0,0|2,0,0]=4 2947 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [2,0,0,0,0,0|1,0,0]=3 2948 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [2,0,0,0,0,0|2,0,0]=4 2949 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [2,0,0,0,0,0|2,0,0]=4 2950 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [2,0,0,0,0,0|2,0,0]=4 2951 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|1,0,0]=3 2952 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|1,0,0]=3 2953 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [2,0,0,0,0,0|2,0,0]=4 2954 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [2,0,0,0,0,0|2,0,0]=4 2955 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [2,0,0,0,0,0|2,0,0]=4 2956 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [2,0,0,0,0,0|2,0,0]=4 2957 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [2,0,0,0,0,0|2,0,0]=4 2958 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [2,0,0,0,0,0|1,0,0]=3 2959 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [2,0,0,0,0,0|1,0,0]=3 2960 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [2,0,0,0,0,0|0,0,0]=2 2961 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [2,0,0,0,0,0|0,0,0]=2 2962 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [2,0,0,0,0,0|1,0,0]=3 2963 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [2,0,0,0,0,0|1,0,0]=3 2964 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [2,0,0,0,0,0|1,0,0]=3 2965 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [2,0,0,0,0,0|1,0,0]=3 2966 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [2,0,0,0,0,0|1,0,0]=3 2967 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [2,0,0,0,0,0|1,0,0]=3 2968 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [2,0,0,0,0,0|0,0,0]=2 2969 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [2,0,0,0,0,0|0,0,0]=2 2970 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|1,0,0]=3 2971 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [2,0,0,0,0,0|2,0,0]=4 2972 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [2,0,0,0,0,0|2,0,0]=4 2973 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [2,0,0,0,0,0|1,0,0]=3 2974 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [2,0,0,0,0,0|1,0,0]=3 2975 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 2976 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 2977 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [2,0,0,0,0,0|2,0,0]=4 2978 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [2,0,0,0,0,0|2,0,0]=4 2979 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 2980 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 2981 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [2,0,0,0,0,0|1,0,0]=3 2982 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [2,0,0,0,0,0|1,0,0]=3 2983 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [2,0,0,0,0,0|2,0,0]=4 2984 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [2,0,0,0,0,0|2,0,0]=4 2985 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [2,0,0,0,0,0|2,0,0]=4 2986 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [2,0,0,0,0,0|2,0,0]=4 2987 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [2,0,0,0,0,0|1,0,0]=3 2988 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [2,0,0,0,0,0|2,0,0]=4 2989 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [2,0,0,0,0,0|2,0,0]=4 2990 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [2,0,0,0,0,0|2,0,0]=4 2991 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [2,0,0,0,0,0|1,0,0]=3 2992 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [2,0,0,0,0,0|1,0,0]=3 2993 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [2,0,0,0,0,0|2,0,0]=4 2994 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2995 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [2,0,0,0,0,0|1,0,0]=3 2996 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [2,0,0,0,0,0|2,0,0]=4 2997 B9R1.15 COc1cncnc1N 7a_100000112926_200000210301 [2,0,0,0,0,0|2,0,0]=4 2998 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [2,0,0,0,0,0|2,0,0]=4 2999 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [2,0,0,0,0,0|2,0,0]=4 3000 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [2,0,0,0,0,0|2,0,0]=4 3001 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [2,0,0,0,0,0|1,0,0]=3 3002 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [2,0,0,0,0,0|2,0,0]=4 3003 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [2,0,0,0,0,0|2,0,0]=4 3004 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [2,0,0,0,0,0|1,1,0]=4 3005 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [2,0,0,0,0,0|1,1,0]=4 3006 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [2,0,0,0,0,0|1,1,0]=4 3007 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [2,0,0,0,0,0|0,1,0]=3 3008 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [2,0,0,0,0,0|0,1,0]=3 3009 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [2,0,0,0,0,0|1,1,0]=4 3010 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [2,0,0,0,0,0|1,1,0]=4 3011 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [2,0,0,0,0,0|1,1,0]=4 3012 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [2,0,0,0,0,0|1,1,0]=4 3013 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [2,0,0,0,0,0|0,1,0]=3 3014 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [2,0,0,0,0,0|0,1,0]=3 3015 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|1,0,0]=3 3016 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|1,0,0]=3 3017 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|1,0,0]=3 3018 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [2,0,0,0,0,0|1,1,0]=4 3019 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [2,0,0,0,0,0|1,1,0]=4 3020 B9R1.15 CSc1cccnc1N 62a_100000045569_200000210301 [2,0,0,0,0,0|1,1,0]=4 3021 B9R1.15 CSc1cccnc1N 62a_200000210301_100000045569 [2,0,0,0,0,0|1,1,0]=4 3022 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [2,0,0,0,0,0|2,0,0]=4 3023 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [2,0,0,0,0,0|2,0,0]=4 3024 B9R1.15 CSc1ccncc1C 62a_100000765111_200000210301 [2,0,0,0,0,0|1,1,0]=4 3025 B9R1.15 CSc1ccncc1C 62a_200000210301_100000765111 [2,0,0,0,0,0|1,1,0]=4 3026 B9R1.15 CSc1ccncc1N 62a_100000756074_200000210301 [2,0,0,0,0,0|1,1,0]=4 3027 B9R1.15 CSc1ccncc1N 62a_200000210301_100000756074 [2,0,0,0,0,0|1,1,0]=4 3028 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [2,0,0,0,0,0|2,0,0]=4 3029 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [2,0,0,0,0,0|2,0,0]=4 3030 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [2,0,0,0,0,0|1,1,0]=4 3031 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [2,0,0,0,0,0|1,1,0]=4 3032 B9R1.15 CSc1cnccc1N 62a_100000047001_200000210301 [2,0,0,0,0,0|1,1,0]=4 3033 B9R1.15 CSc1cnccc1N 62a_200000210301_100000047001 [2,0,0,0,0,0|1,1,0]=4 3034 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [2,0,0,0,0,0|1,1,0]=4 3035 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [2,0,0,0,0,0|1,1,0]=4 3036 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [2,0,0,0,0,0|1,1,0]=4 3037 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [2,0,0,0,0,0|1,1,0]=4 3038 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [2,0,0,0,0,0|2,0,0]=4 3039 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 3040 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [2,0,0,0,0,0|2,0,0]=4 3041 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [2,0,0,0,0,0|1,1,0]=4 3042 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [2,0,0,0,0,0|1,0,0]=3 3043 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [2,0,0,0,0,0|0,0,0]=2 3044 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [2,0,0,0,0,0|0,0,0]=2 3045 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [2,0,0,0,0,0|0,1,0]=3 3046 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [2,0,0,0,0,0|0,1,0]=3 3047 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [2,0,0,0,0,0|1,1,0]=4 3048 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [2,0,0,0,0,0|1,1,0]=4 3049 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [2,0,0,0,0,0|1,0,0]=3 3050 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [2,0,0,0,0,0|1,0,0]=3 3051 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [2,0,0,0,0,0|1,1,0]=4 3052 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [2,0,0,0,0,0|1,1,0]=4 3053 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [2,0,0,0,0,0|1,0,0]=3 3054 B9R1.15 Cc1cnccc1S[13CH3] 62a_100000765111_200025704644 [2,0,0,0,0,0|1,1,0]=4 3055 B9R1.15 Cc1cnccc1S[13CH3] 62a_200025704644_100000765111 [2,0,0,0,0,0|1,1,0]=4 3056 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [2,0,0,0,0,0|1,0,0]=3 3057 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [2,0,0,0,0,0|1,0,0]=3 3058 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [2,0,0,0,0,0|1,1,0]=4 3059 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [2,0,0,0,0,0|1,1,0]=4 3060 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [2,0,0,0,0,0|2,0,0]=4 3061 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [2,0,0,0,0,0|0,0,2]=4 3062 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|0,0,0]=2 3063 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [2,0,0,0,0,0|1,0,0]=3 3064 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [2,0,0,0,0,0|1,0,0]=3 3065 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [2,0,0,0,0,0|1,0,0]=3 3066 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [2,0,0,0,0,0|2,0,0]=4 3067 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [2,0,0,0,0,0|1,0,0]=3 3068 B9R1.15 NNc1ccncc1O 271570a_203496583355_100013404636 [2,0,0,0,0,0|2,0,0]=4 3069 B9R1.15 NNc1ncccc1O 271570a_203496583355_100011464834 [2,0,0,0,0,0|2,0,0]=4 3070 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,0,0,0,0,0|1,0,1]=4 3071 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|1,0,0]=3 3072 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [2,0,0,0,0,0|2,0,0]=4 3073 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [2,0,0,0,0,0|2,0,0]=4 3074 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [2,0,0,0,0,0|2,0,0]=4 3075 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [2,0,0,0,0,0|2,0,0]=4 3076 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [2,0,0,0,0,0|2,0,0]=4 3077 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [2,0,0,0,0,0|2,0,0]=4 3078 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [2,0,0,0,0,0|2,0,0]=4 3079 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [2,0,0,0,0,0|2,0,0]=4 3080 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|1,0,0]=3 3081 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [2,0,0,0,0,0|2,0,0]=4 3082 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [2,0,0,0,0,0|1,0,0]=3 3083 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [2,0,0,0,0,0|1,0,0]=3 3084 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [2,0,0,0,0,0|1,0,0]=3 3085 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [2,0,0,0,0,0|1,0,0]=3 3086 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [2,0,0,0,0,0|1,0,0]=3 3087 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [2,0,0,0,0,0|1,0,0]=3 3088 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [2,0,0,0,0,0|1,0,0]=3 3089 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [2,0,0,0,0,0|1,0,0]=3 3090 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [2,0,0,0,0,0|0,0,0]=2 3091 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [2,0,0,0,0,0|0,0,0]=2 3092 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [2,0,0,0,0,0|2,0,0]=4 3093 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [2,0,0,0,0,0|2,0,0]=4 3094 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 3095 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 3096 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [2,0,0,0,0,0|2,0,0]=4 3097 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [2,0,0,0,0,0|2,0,0]=4 3098 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 3099 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 3100 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [2,0,0,0,0,0|1,0,0]=3 3101 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [2,0,0,0,0,0|1,0,0]=3 3102 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [2,0,0,0,0,0|2,0,0]=4 3103 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [2,0,0,0,0,0|2,0,0]=4 3104 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [2,0,0,0,0,0|2,0,0]=4 3105 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [2,0,0,0,0,0|2,0,0]=4 3106 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [2,0,0,0,0,0|2,0,0]=4 3107 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [2,0,0,0,0,0|2,0,0]=4 3108 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [2,0,0,0,0,0|2,0,0]=4 3109 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [2,0,0,0,0,0|1,0,0]=3 3110 B9R1.15 [13CH3]Oc1cncnc1N 7a_100000112926_200025704644 [2,0,0,0,0,0|2,0,0]=4 3111 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [2,0,0,0,0,0|2,0,0]=4 3112 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [2,0,0,0,0,0|2,0,0]=4 3113 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [2,0,0,0,0,0|2,0,0]=4 3114 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [2,0,0,0,0,0|1,0,0]=3 3115 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [2,0,0,0,0,0|1,1,0]=4 3116 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [2,0,0,0,0,0|1,1,0]=4 3117 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [2,0,0,0,0,0|1,1,0]=4 3118 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [2,0,0,0,0,0|1,1,0]=4 3119 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [2,0,0,0,0,0|1,1,0]=4 3120 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [2,0,0,0,0,0|1,1,0]=4 3121 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [2,0,0,0,0,0|0,1,0]=3 3122 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [2,0,0,0,0,0|0,1,0]=3 3123 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|1,0,0]=3 3124 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|1,0,0]=3 3125 B9R1.15 [13CH3]Sc1cccnc1N 62a_100000045569_200025704644 [2,0,0,0,0,0|1,1,0]=4 3126 B9R1.15 [13CH3]Sc1cccnc1N 62a_200025704644_100000045569 [2,0,0,0,0,0|1,1,0]=4 3127 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [2,0,0,0,0,0|2,0,0]=4 3128 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [2,0,0,0,0,0|2,0,0]=4 3129 B9R1.15 [13CH3]Sc1ccncc1N 62a_100000756074_200025704644 [2,0,0,0,0,0|1,1,0]=4 3130 B9R1.15 [13CH3]Sc1ccncc1N 62a_200025704644_100000756074 [2,0,0,0,0,0|1,1,0]=4 3131 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [2,0,0,0,0,0|2,0,0]=4 3132 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [2,0,0,0,0,0|2,0,0]=4 3133 B9R1.15 [13CH3]Sc1cnccc1N 62a_100000047001_200025704644 [2,0,0,0,0,0|1,1,0]=4 3134 B9R1.15 [13CH3]Sc1cnccc1N 62a_200025704644_100000047001 [2,0,0,0,0,0|1,1,0]=4 3135 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [2,0,0,0,0,0|1,1,0]=4 3136 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [2,0,0,0,0,0|1,1,0]=4 3137 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 3138 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [2,0,0,0,0,0|2,0,0]=4 3139 B11R1.13 CCNc1cccc(c1C)Br 34a_100000750434_100000210202 [1,1,0,0,0,0|2,0,0]=4 3140 B11R1.13 CCNc1cccc(c1C)C 2230a_100000210026_100000210202 [1,1,0,0,0,0|2,0,0]=4 3141 B11R1.13 CCNc1cccc(c1C)C 34a_100000210026_100000210202 [1,1,0,0,0,0|2,0,0]=4 3142 B11R1.13 CCNc1cccc(c1C)C 7a_100000210026_100000210202 [1,1,0,0,0,0|2,0,0]=4 3143 B11R1.13 CCNc1cccc(c1C)Cl 2230a_100000210441_100000210202 [1,1,0,0,0,0|2,0,0]=4 3144 B11R1.13 CCNc1cccc(c1C)Cl 34a_100000210441_100000210202 [1,1,0,0,0,0|2,0,0]=4 3145 B11R1.13 CCNc1cccc(c1C)Cl 7a_100000210441_100000210202 [1,1,0,0,0,0|2,0,0]=4 3146 B11R1.13 CCNc1cccc(c1C)F 34a_100000745574_100000210202 [1,1,0,0,0,0|2,0,0]=4 3147 B11R1.13 CCNc1cccc(c1C)F 7a_100000745574_100000210202 [1,1,0,0,0,0|2,0,0]=4 3148 B11R1.13 CCNc1cccc(c1C)I 34a_100000761887_100000210202 [1,1,0,0,0,0|2,0,0]=4 3149 B11R1.13 CCNc1cccc(c1C)O 34a_100011216573_100000210202 [1,1,0,0,0,0|2,0,0]=4 3150 B11R1.13 CCNc1cccc(c1C)O 7a_100011216573_100000210202 [1,1,0,0,0,0|2,0,0]=4 3151 B11R1.13 CCNc1cccc(c1O)Br 34a_100011934915_100000210202 [1,1,0,0,0,0|2,0,0]=4 3152 B11R1.13 CCNc1cccc(c1O)C 34a_100000756359_100000210202 [1,1,0,0,0,0|2,0,0]=4 3153 B11R1.13 CCNc1cccc(c1O)Cl 34a_100000754742_100000210202 [1,1,0,0,0,0|2,0,0]=4 3154 B11R1.13 CCNc1cccc(c1O)F 34a_100011934987_100000210202 [1,1,0,0,0,0|2,0,0]=4 3155 B11R1.13 CCOc1cccc(c1C)Br 34a_100012002258_100000210202 [1,1,0,0,0,0|2,0,0]=4 3156 B11R1.13 CCOc1cccc(c1C)Br 7a_100012002258_100000210202 [1,1,0,0,0,0|2,0,0]=4 3157 B11R1.13 CCOc1cccc(c1C)C 34a_100000185855_100000210202 [1,1,0,0,0,0|2,0,0]=4 3158 B11R1.13 CCOc1cccc(c1C)C 7a_100000185855_100000210202 [1,1,0,0,0,0|2,0,0]=4 3159 B11R1.13 CCOc1cccc(c1C)Cl 34a_100011265684_100000210202 [1,1,0,0,0,0|2,0,0]=4 3160 B11R1.13 CCOc1cccc(c1C)Cl 7a_100011265684_100000210202 [1,1,0,0,0,0|2,0,0]=4 3161 B11R1.13 CCOc1cccc(c1C)F 34a_100011217231_100000210202 [1,1,0,0,0,0|2,0,0]=4 3162 B11R1.13 CCOc1cccc(c1C)F 7a_100011217231_100000210202 [1,1,0,0,0,0|2,0,0]=4 3163 B11R1.13 CCOc1cccc(c1C)N 34a_100011216573_100000210202 [1,1,0,0,0,0|2,0,0]=4 3164 B11R1.13 CCOc1cccc(c1C)N 7a_100011216573_100000210202 [1,1,0,0,0,0|2,0,0]=4 3165 B11R1.13 CCSc1cccc(c1C)Br 62a_100000210202_100012353703 [1,1,0,0,0,0|2,0,0]=4 3166 B11R1.13 CCSc1cccc(c1C)Br 62a_100012353703_100000210202 [1,1,0,0,0,0|2,0,0]=4 3167 B11R1.13 CCSc1cccc(c1C)C 62a_100000210202_100011214922 [1,1,0,0,0,0|2,0,0]=4 3168 B11R1.13 CCSc1cccc(c1C)C 62a_100011214922_100000210202 [1,1,0,0,0,0|2,0,0]=4 3169 B11R1.13 CCSc1cccc(c1C)Cl 62a_100000210202_100000726075 [1,1,0,0,0,0|2,0,0]=4 3170 B11R1.13 CCSc1cccc(c1C)Cl 62a_100000726075_100000210202 [1,1,0,0,0,0|2,0,0]=4 3171 B11R1.13 CCSc1cccc(c1C)F 62a_100000210202_100011216893 [1,1,0,0,0,0|2,0,0]=4 3172 B11R1.13 CCSc1cccc(c1C)F 62a_100011216893_100000210202 [1,1,0,0,0,0|2,0,0]=4 3173 B11R1.13 CCSc1cccc(c1C)N 62a_100000210202_100000761887 [1,1,0,0,0,0|2,0,0]=4 3174 B11R1.13 CCSc1cccc(c1C)N 62a_100000761887_100000210202 [1,1,0,0,0,0|2,0,0]=4 3175 B11R1.13 CCSc1cccc(c1C)O 62a_100000210202_100012002258 [1,1,0,0,0,0|2,0,0]=4 3176 B11R1.13 CCSc1cccc(c1C)O 62a_100012002258_100000210202 [1,1,0,0,0,0|2,0,0]=4 3177 B11R1.13 CCSc1cccc(c1O)Br 62a_100000210202_100010084509 [1,1,0,0,0,0|2,0,0]=4 3178 B11R1.13 CCSc1cccc(c1O)Br 62a_100010084509_100000210202 [1,1,0,0,0,0|2,0,0]=4 3179 B11R1.13 CCSc1cccc(c1O)C 62a_100000210202_100009817157 [1,1,0,0,0,0|2,0,0]=4 3180 B11R1.13 CCSc1cccc(c1O)C 62a_100009817157_100000210202 [1,1,0,0,0,0|2,0,0]=4 3181 B11R1.13 CCSc1cccc(c1O)Cl 62a_100000210202_100010202889 [1,1,0,0,0,0|2,0,0]=4 3182 B11R1.13 CCSc1cccc(c1O)Cl 62a_100010202889_100000210202 [1,1,0,0,0,0|2,0,0]=4 3183 B11R1.13 CCSc1cccc(c1O)F 62a_100000210202_100009813666 [1,1,0,0,0,0|2,0,0]=4 3184 B11R1.13 CCSc1cccc(c1O)F 62a_100009813666_100000210202 [1,1,0,0,0,0|2,0,0]=4 3185 B11R1.13 CCSc1cccc(c1O)N 62a_100000210202_100010084371 [1,1,0,0,0,0|2,0,0]=4 3186 B11R1.13 CCSc1cccc(c1O)N 62a_100011934915_100000210202 [1,1,0,0,0,0|2,0,0]=4 3187 B11R1.13 CCSc1cccc(c1O)O 62a_100000210202_100009815950 [1,1,0,0,0,0|2,0,0]=4 3188 B11R1.13 CNCc1cccc(c1C)Br 207a_100102657272_100012179384 [1,1,0,0,0,0|2,0,0]=4 3189 B11R1.13 CNCc1cccc(c1C)Br 2230a_106832991635_100000694682 [1,1,0,0,0,0|2,0,0]=4 3190 B11R1.13 CNCc1cccc(c1C)Br 26a_100102657272_100012002258 [1,1,0,0,0,0|2,0,0]=4 3191 B11R1.13 CNCc1cccc(c1C)Br 270004a_106832991635_100012179384 [1,1,0,0,0,0|2,0,0]=4 3192 B11R1.13 CNCc1cccc(c1C)Br 34a_100000724210_200000210301 [1,1,0,0,0,0|2,0,0]=4 3193 B11R1.13 CNCc1cccc(c1C)Br 34a_100102657272_100000694682 [1,1,0,0,0,0|2,0,0]=4 3194 B11R1.13 CNCc1cccc(c1C)Br 7a_106832991635_100000694682 [1,1,0,0,0,0|2,0,0]=4 3195 B11R1.13 CNCc1cccc(c1C)C 207a_100102657272_100000229941 [1,1,0,0,0,0|2,0,0]=4 3196 B11R1.13 CNCc1cccc(c1C)C 2230a_100011211637_200000210301 [1,1,0,0,0,0|2,0,0]=4 3197 B11R1.13 CNCc1cccc(c1C)C 2230a_106832991635_100011515928 [1,1,0,0,0,0|2,0,0]=4 3198 B11R1.13 CNCc1cccc(c1C)C 270004a_106832991635_100000229941 [1,1,0,0,0,0|2,0,0]=4 3199 B11R1.13 CNCc1cccc(c1C)C 34a_100011211637_200000210301 [1,1,0,0,0,0|2,0,0]=4 3200 B11R1.13 CNCc1cccc(c1C)C 34a_100102657272_100011273979 [1,1,0,0,0,0|2,0,0]=4 3201 B11R1.13 CNCc1cccc(c1C)C 7a_106832991635_100011515928 [1,1,0,0,0,0|2,0,0]=4 3202 B11R1.13 CNCc1cccc(c1C)Cl 207a_100102657272_100012002129 [1,1,0,0,0,0|2,0,0]=4 3203 B11R1.13 CNCc1cccc(c1C)Cl 2230a_100020639605_200000210301 [1,1,0,0,0,0|2,0,0]=4 3204 B11R1.13 CNCc1cccc(c1C)Cl 2230a_106832991635_100012186920 [1,1,0,0,0,0|2,0,0]=4 3205 B11R1.13 CNCc1cccc(c1C)Cl 270004a_106832991635_100012002129 [1,1,0,0,0,0|2,0,0]=4 3206 B11R1.13 CNCc1cccc(c1C)Cl 34a_100020639605_200000210301 [1,1,0,0,0,0|2,0,0]=4 3207 B11R1.13 CNCc1cccc(c1C)Cl 34a_100102657272_100012186920 [1,1,0,0,0,0|2,0,0]=4 3208 B11R1.13 CNCc1cccc(c1C)Cl 7a_106832991635_100012186920 [1,1,0,0,0,0|2,0,0]=4 3209 B11R1.13 CNCc1cccc(c1C)F 207a_100102657272_100000037668 [1,1,0,0,0,0|2,0,0]=4 3210 B11R1.13 CNCc1cccc(c1C)F 2230a_100132306986_200000210301 [1,1,0,0,0,0|2,0,0]=4 3211 B11R1.13 CNCc1cccc(c1C)F 2230a_106832991635_100009813626 [1,1,0,0,0,0|2,0,0]=4 3212 B11R1.13 CNCc1cccc(c1C)F 270004a_106832991635_100000037668 [1,1,0,0,0,0|2,0,0]=4 3213 B11R1.13 CNCc1cccc(c1C)F 34a_100102657272_100009813626 [1,1,0,0,0,0|2,0,0]=4 3214 B11R1.13 CNCc1cccc(c1C)F 34a_100132306986_200000210301 [1,1,0,0,0,0|2,0,0]=4 3215 B11R1.13 CNCc1cccc(c1C)F 7a_106832991635_100009813626 [1,1,0,0,0,0|2,0,0]=4 3216 B11R1.13 CNCc1cccc(c1C)I 2230a_106832991635_100010150147 [1,1,0,0,0,0|2,0,0]=4 3217 B11R1.13 CNCc1cccc(c1C)I 34a_100102657272_100010150147 [1,1,0,0,0,0|2,0,0]=4 3218 B11R1.13 CNCc1cccc(c1C)I 7a_106832991635_100010150147 [1,1,0,0,0,0|2,0,0]=4 3219 B11R1.13 CNCc1cccc(c1C)O 270004a_106832991635_100009868165 [1,1,0,0,0,0|2,0,0]=4 3220 B11R1.13 CNCc1cccc(c1O)C 34a_100020639391_200000210301 [1,1,0,0,0,0|2,0,0]=4 3221 B11R1.13 COCc1cccc(c1C)Br 34a_100000694458_200000210301 [1,1,0,0,0,0|2,0,0]=4 3222 B11R1.13 COCc1cccc(c1C)Br 34a_100138415774_100000694682 [1,1,0,0,0,0|2,0,0]=4 3223 B11R1.13 COCc1cccc(c1C)Br 7a_100000694458_200000210301 [1,1,0,0,0,0|2,0,0]=4 3224 B11R1.13 COCc1cccc(c1C)C 34a_100011219135_200000210301 [1,1,0,0,0,0|2,0,0]=4 3225 B11R1.13 COCc1cccc(c1C)C 34a_100138415774_100011273979 [1,1,0,0,0,0|2,0,0]=4 3226 B11R1.13 COCc1cccc(c1C)C 7a_100011219135_200000210301 [1,1,0,0,0,0|2,0,0]=4 3227 B11R1.13 COCc1cccc(c1C)Cl 34a_100012000165_200000210301 [1,1,0,0,0,0|2,0,0]=4 3228 B11R1.13 COCc1cccc(c1C)Cl 34a_100138415774_100012186920 [1,1,0,0,0,0|2,0,0]=4 3229 B11R1.13 COCc1cccc(c1C)Cl 7a_100012000165_200000210301 [1,1,0,0,0,0|2,0,0]=4 3230 B11R1.13 COCc1cccc(c1C)F 34a_100000042775_200000210301 [1,1,0,0,0,0|2,0,0]=4 3231 B11R1.13 COCc1cccc(c1C)F 34a_100138415774_100009813626 [1,1,0,0,0,0|2,0,0]=4 3232 B11R1.13 COCc1cccc(c1C)F 7a_100000042775_200000210301 [1,1,0,0,0,0|2,0,0]=4 3233 B11R1.13 COCc1cccc(c1C)I 34a_100010150139_200000210301 [1,1,0,0,0,0|2,0,0]=4 3234 B11R1.13 COCc1cccc(c1C)I 34a_100138415774_100010150147 [1,1,0,0,0,0|2,0,0]=4 3235 B11R1.13 COCc1cccc(c1C)I 7a_100010150139_200000210301 [1,1,0,0,0,0|2,0,0]=4 3236 B11R1.13 COCc1cccc(c1C)N 34a_102495339961_200000210301 [1,1,0,0,0,0|2,0,0]=4 3237 B11R1.13 COCc1cccc(c1C)N 7a_102495339961_200000210301 [1,1,0,0,0,0|2,0,0]=4 3238 B11R1.13 COCc1cccc(c1C)O 271570a_203496583355_100102485947 [1,1,0,0,0,0|2,0,0]=4 3239 B11R1.13 CSCc1cccc(c1C)Br 62a_100000694682_200000210301 [1,1,0,0,0,0|2,0,0]=4 3240 B11R1.13 CSCc1cccc(c1C)Br 62a_200000210301_100000694682 [1,1,0,0,0,0|2,0,0]=4 3241 B11R1.13 CSCc1cccc(c1C)C 62a_100011515928_200000210301 [1,1,0,0,0,0|2,0,0]=4 3242 B11R1.13 CSCc1cccc(c1C)C 62a_200000210301_100011515928 [1,1,0,0,0,0|2,0,0]=4 3243 B11R1.13 CSCc1cccc(c1C)Cl 62a_100012186920_200000210301 [1,1,0,0,0,0|2,0,0]=4 3244 B11R1.13 CSCc1cccc(c1C)Cl 62a_200000210301_100012186920 [1,1,0,0,0,0|2,0,0]=4 3245 B11R1.13 CSCc1cccc(c1C)F 62a_100009813626_200000210301 [1,1,0,0,0,0|2,0,0]=4 3246 B11R1.13 CSCc1cccc(c1C)F 62a_200000210301_100009813626 [1,1,0,0,0,0|2,0,0]=4 3247 B11R1.13 CSCc1cccc(c1C)I 62a_100010150147_200000210301 [1,1,0,0,0,0|2,0,0]=4 3248 B11R1.13 CSCc1cccc(c1C)I 62a_200000210301_100010150147 [1,1,0,0,0,0|2,0,0]=4 3249 B11R1.13 Cc1c(cccc1CC#N)O 271570a_203496583355_100010147028 [1,1,0,0,0,0|0,0,2]=4 3250 B11R1.13 Cc1c(cccc1CCN)O 271570a_203496583355_100161000114 [1,1,0,0,0,0|0,0,0]=2 3251 B11R1.13 Cc1c(cccc1CN[13CH3])Br 34a_100000724210_200025704644 [1,1,0,0,0,0|2,0,0]=4 3252 B11R1.13 Cc1c(cccc1CN[13CH3])Cl 2230a_100020639605_200025704644 [1,1,0,0,0,0|2,0,0]=4 3253 B11R1.13 Cc1c(cccc1CN[13CH3])Cl 34a_100020639605_200025704644 [1,1,0,0,0,0|2,0,0]=4 3254 B11R1.13 Cc1c(cccc1CN[13CH3])F 2230a_100132306986_200025704644 [1,1,0,0,0,0|2,0,0]=4 3255 B11R1.13 Cc1c(cccc1CN[13CH3])F 34a_100132306986_200025704644 [1,1,0,0,0,0|2,0,0]=4 3256 B11R1.13 Cc1c(cccc1CO[13CH3])Br 34a_100000694458_200025704644 [1,1,0,0,0,0|2,0,0]=4 3257 B11R1.13 Cc1c(cccc1CO[13CH3])Br 7a_100000694458_200025704644 [1,1,0,0,0,0|2,0,0]=4 3258 B11R1.13 Cc1c(cccc1CO[13CH3])Cl 34a_100012000165_200025704644 [1,1,0,0,0,0|2,0,0]=4 3259 B11R1.13 Cc1c(cccc1CO[13CH3])Cl 7a_100012000165_200025704644 [1,1,0,0,0,0|2,0,0]=4 3260 B11R1.13 Cc1c(cccc1CO[13CH3])F 34a_100000042775_200025704644 [1,1,0,0,0,0|2,0,0]=4 3261 B11R1.13 Cc1c(cccc1CO[13CH3])F 7a_100000042775_200025704644 [1,1,0,0,0,0|2,0,0]=4 3262 B11R1.13 Cc1c(cccc1CO[13CH3])I 34a_100010150139_200025704644 [1,1,0,0,0,0|2,0,0]=4 3263 B11R1.13 Cc1c(cccc1CO[13CH3])I 7a_100010150139_200025704644 [1,1,0,0,0,0|2,0,0]=4 3264 B11R1.13 Cc1c(cccc1CO[13CH3])N 34a_102495339961_200025704644 [1,1,0,0,0,0|2,0,0]=4 3265 B11R1.13 Cc1c(cccc1CO[13CH3])N 7a_102495339961_200025704644 [1,1,0,0,0,0|2,0,0]=4 3266 B11R1.13 Cc1c(cccc1CS[13CH3])Br 62a_100000694682_200025704644 [1,1,0,0,0,0|2,0,0]=4 3267 B11R1.13 Cc1c(cccc1CS[13CH3])Br 62a_200025704644_100000694682 [1,1,0,0,0,0|2,0,0]=4 3268 B11R1.13 Cc1c(cccc1CS[13CH3])Cl 62a_100012186920_200025704644 [1,1,0,0,0,0|2,0,0]=4 3269 B11R1.13 Cc1c(cccc1CS[13CH3])Cl 62a_200025704644_100012186920 [1,1,0,0,0,0|2,0,0]=4 3270 B11R1.13 Cc1c(cccc1CS[13CH3])F 62a_100009813626_200025704644 [1,1,0,0,0,0|2,0,0]=4 3271 B11R1.13 Cc1c(cccc1CS[13CH3])F 62a_200025704644_100009813626 [1,1,0,0,0,0|2,0,0]=4 3272 B11R1.13 Cc1c(cccc1CS[13CH3])I 62a_100010150147_200025704644 [1,1,0,0,0,0|2,0,0]=4 3273 B11R1.13 Cc1c(cccc1CS[13CH3])I 62a_200025704644_100010150147 [1,1,0,0,0,0|2,0,0]=4 3274 B11R1.13 Cc1c(cccc1NCF)Br 34a_100000750434_100015361967 [1,1,0,0,0,0|2,0,0]=4 3275 B11R1.13 Cc1c(cccc1NCF)Cl 34a_100000210441_100015361967 [1,1,0,0,0,0|2,0,0]=4 3276 B11R1.13 Cc1c(cccc1NCF)Cl 7a_100000210441_100015361967 [1,1,0,0,0,0|2,0,0]=4 3277 B11R1.13 Cc1c(cccc1NCF)F 34a_100000745574_100015361967 [1,1,0,0,0,0|2,0,0]=4 3278 B11R1.13 Cc1c(cccc1NCF)F 7a_100000745574_100015361967 [1,1,0,0,0,0|2,0,0]=4 3279 B11R1.13 Cc1c(cccc1NCF)I 34a_100000761887_100015361967 [1,1,0,0,0,0|2,0,0]=4 3280 B11R1.13 Cc1c(cccc1NCF)O 34a_100011216573_100015361967 [1,1,0,0,0,0|2,0,0]=4 3281 B11R1.13 Cc1c(cccc1NCF)O 7a_100011216573_100015361967 [1,1,0,0,0,0|2,0,0]=4 3282 B11R1.13 Cc1c(cccc1OCF)Br 34a_100012002258_100015361967 [1,1,0,0,0,0|2,0,0]=4 3283 B11R1.13 Cc1c(cccc1OCF)Br 7a_100012002258_100015361967 [1,1,0,0,0,0|2,0,0]=4 3284 B11R1.13 Cc1c(cccc1OCF)Cl 34a_100011265684_100015361967 [1,1,0,0,0,0|2,0,0]=4 3285 B11R1.13 Cc1c(cccc1OCF)Cl 7a_100011265684_100015361967 [1,1,0,0,0,0|2,0,0]=4 3286 B11R1.13 Cc1c(cccc1OCF)F 34a_100011217231_100015361967 [1,1,0,0,0,0|2,0,0]=4 3287 B11R1.13 Cc1c(cccc1OCF)F 7a_100011217231_100015361967 [1,1,0,0,0,0|2,0,0]=4 3288 B11R1.13 Cc1c(cccc1OCF)N 34a_100011216573_100015361967 [1,1,0,0,0,0|2,0,0]=4 3289 B11R1.13 Cc1c(cccc1OCF)N 7a_100011216573_100015361967 [1,1,0,0,0,0|2,0,0]=4 3290 B11R1.13 Cc1c(cccc1SCF)Br 62a_100012353703_100015361967 [1,1,0,0,0,0|2,0,0]=4 3291 B11R1.13 Cc1c(cccc1SCF)Br 62a_100015361967_100012353703 [1,1,0,0,0,0|2,0,0]=4 3292 B11R1.13 Cc1c(cccc1SCF)Cl 62a_100000726075_100015361967 [1,1,0,0,0,0|2,0,0]=4 3293 B11R1.13 Cc1c(cccc1SCF)Cl 62a_100015361967_100000726075 [1,1,0,0,0,0|2,0,0]=4 3294 B11R1.13 Cc1c(cccc1SCF)F 62a_100011216893_100015361967 [1,1,0,0,0,0|2,0,0]=4 3295 B11R1.13 Cc1c(cccc1SCF)F 62a_100015361967_100011216893 [1,1,0,0,0,0|2,0,0]=4 3296 B11R1.13 Cc1c(cccc1SCF)N 62a_100000761887_100015361967 [1,1,0,0,0,0|2,0,0]=4 3297 B11R1.13 Cc1c(cccc1SCF)N 62a_100015361967_100000761887 [1,1,0,0,0,0|2,0,0]=4 3298 B11R1.13 Cc1c(cccc1SCF)O 62a_100012002258_100015361967 [1,1,0,0,0,0|2,0,0]=4 3299 B11R1.13 Cc1c(cccc1SCF)O 62a_100015361967_100012002258 [1,1,0,0,0,0|2,0,0]=4 3300 B11R1.13 Cc1cccc(c1C)CN[13CH3] 2230a_100011211637_200025704644 [1,1,0,0,0,0|2,0,0]=4 3301 B11R1.13 Cc1cccc(c1C)CN[13CH3] 34a_100011211637_200025704644 [1,1,0,0,0,0|2,0,0]=4 3302 B11R1.13 Cc1cccc(c1C)CO[13CH3] 34a_100011219135_200025704644 [1,1,0,0,0,0|2,0,0]=4 3303 B11R1.13 Cc1cccc(c1C)CO[13CH3] 7a_100011219135_200025704644 [1,1,0,0,0,0|2,0,0]=4 3304 B11R1.13 Cc1cccc(c1C)CS[13CH3] 62a_100011515928_200025704644 [1,1,0,0,0,0|2,0,0]=4 3305 B11R1.13 Cc1cccc(c1C)CS[13CH3] 62a_200025704644_100011515928 [1,1,0,0,0,0|2,0,0]=4 3306 B11R1.13 Cc1cccc(c1C)NCF 34a_100000210026_100015361967 [1,1,0,0,0,0|2,0,0]=4 3307 B11R1.13 Cc1cccc(c1C)NCF 7a_100000210026_100015361967 [1,1,0,0,0,0|2,0,0]=4 3308 B11R1.13 Cc1cccc(c1C)OCF 34a_100000185855_100015361967 [1,1,0,0,0,0|2,0,0]=4 3309 B11R1.13 Cc1cccc(c1C)OCF 7a_100000185855_100015361967 [1,1,0,0,0,0|2,0,0]=4 3310 B11R1.13 Cc1cccc(c1C)SCF 62a_100011214922_100015361967 [1,1,0,0,0,0|2,0,0]=4 3311 B11R1.13 Cc1cccc(c1C)SCF 62a_100015361967_100011214922 [1,1,0,0,0,0|2,0,0]=4 3312 B11R1.13 Cc1cccc(c1O)CC#N 271570a_203496583355_100010147024 [1,1,0,0,0,0|0,0,2]=4 3313 B11R1.13 Cc1cccc(c1O)CN[13CH3] 34a_100020639391_200025704644 [1,1,0,0,0,0|2,0,0]=4 3314 B11R1.13 Cc1cccc(c1O)NCF 34a_100000756359_100015361967 [1,1,0,0,0,0|2,0,0]=4 3315 B11R1.13 Cc1cccc(c1O)SCF 62a_100009817157_100015361967 [1,1,0,0,0,0|2,0,0]=4 3316 B11R1.13 Cc1cccc(c1O)SCF 62a_100015361967_100009817157 [1,1,0,0,0,0|2,0,0]=4 3317 B11R1.13 Nc1cccc(c1O)SCF 62a_100011934915_100015361967 [1,1,0,0,0,0|2,0,0]=4 3318 B11R1.13 Nc1cccc(c1O)SCF 62a_100015361967_100010084371 [1,1,0,0,0,0|2,0,0]=4 3319 B11R1.13 Oc1c(cccc1NCF)Br 34a_100011934915_100015361967 [1,1,0,0,0,0|2,0,0]=4 3320 B11R1.13 Oc1c(cccc1NCF)Cl 34a_100000754742_100015361967 [1,1,0,0,0,0|2,0,0]=4 3321 B11R1.13 Oc1c(cccc1NCF)F 34a_100011934987_100015361967 [1,1,0,0,0,0|2,0,0]=4 3322 B11R1.13 Oc1c(cccc1SCF)Br 62a_100010084509_100015361967 [1,1,0,0,0,0|2,0,0]=4 3323 B11R1.13 Oc1c(cccc1SCF)Br 62a_100015361967_100010084509 [1,1,0,0,0,0|2,0,0]=4 3324 B11R1.13 Oc1c(cccc1SCF)Cl 62a_100010202889_100015361967 [1,1,0,0,0,0|2,0,0]=4 3325 B11R1.13 Oc1c(cccc1SCF)Cl 62a_100015361967_100010202889 [1,1,0,0,0,0|2,0,0]=4 3326 B11R1.13 Oc1c(cccc1SCF)F 62a_100009813666_100015361967 [1,1,0,0,0,0|2,0,0]=4 3327 B11R1.13 Oc1c(cccc1SCF)F 62a_100015361967_100009813666 [1,1,0,0,0,0|2,0,0]=4 3328 B11R1.13 Oc1cccc(c1O)SCF 62a_100015361967_100009815950 [1,1,0,0,0,0|2,0,0]=4 3329 B11R1.17 C#CCNc1ccccc1C 34a_100015192222_100000184674 [1,1,0,0,0,0|1,0,1]=4 3330 B11R1.17 C#CCNc1ccccc1O 34a_100000185747_100000184674 [1,1,0,0,0,0|1,0,1]=4 3331 B11R1.17 C#CCOc1ccccc1C 34a_100000210338_100000184674 [1,1,0,0,0,0|1,0,1]=4 3332 B11R1.17 C#CCOc1ccccc1C 7a_100000210338_100000038162 [1,1,0,0,0,0|1,0,1]=4 3333 B11R1.17 C#CCSc1ccccc1C 62a_100000038162_100000210755 [1,1,0,0,0,0|1,0,1]=4 3334 B11R1.17 C#CCSc1ccccc1O 62a_100000038162_100000739446 [1,1,0,0,0,0|1,0,1]=4 3335 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [1,1,0,0,0,0|1,0,1]=4 3336 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [1,1,0,0,0,0|1,0,1]=4 3337 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [1,1,0,0,0,0|1,0,1]=4 3338 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [1,1,0,0,0,0|1,0,1]=4 3339 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [1,1,0,0,0,0|1,0,1]=4 3340 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [1,1,0,0,0,0|1,0,1]=4 3341 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [1,1,0,0,0,0|1,0,1]=4 3342 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [1,1,0,0,0,0|1,0,1]=4 3343 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [1,1,0,0,0,0|2,0,0]=4 3344 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [1,1,0,0,0,0|2,0,0]=4 3345 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,1,0,0,0,0|1,0,0]=3 3346 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [1,1,0,0,0,0|2,0,0]=4 3347 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [1,1,0,0,0,0|2,0,0]=4 3348 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [1,1,0,0,0,0|2,0,0]=4 3349 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,1,0,0,0,0|1,0,0]=3 3350 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [1,1,0,0,0,0|2,0,0]=4 3351 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [1,1,0,0,0,0|2,0,0]=4 3352 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [1,1,0,0,0,0|2,0,0]=4 3353 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [1,1,0,0,0,0|2,0,0]=4 3354 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [1,1,0,0,0,0|2,0,0]=4 3355 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [1,1,0,0,0,0|2,0,0]=4 3356 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 3357 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [1,1,0,0,0,0|1,0,0]=3 3358 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [1,1,0,0,0,0|2,0,0]=4 3359 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [1,1,0,0,0,0|2,0,0]=4 3360 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [1,1,0,0,0,0|2,0,0]=4 3361 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [1,1,0,0,0,0|1,0,0]=3 3362 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 3363 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 3364 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|1,0,0]=3 3365 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|1,0,0]=3 3366 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 3367 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 3368 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 3369 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 3370 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 3371 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 3372 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 3373 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 3374 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [1,1,0,0,0,0|1,0,0]=3 3375 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [1,1,0,0,0,0|2,0,0]=4 3376 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [1,1,0,0,0,0|2,0,0]=4 3377 B11R1.17 CCCOc1ccncc1C 34a_100000694293_100000210303 [1,1,0,0,0,0|2,0,0]=4 3378 B11R1.17 CCCOc1cnccc1C 34a_100011997053_100000210303 [1,1,0,0,0,0|2,0,0]=4 3379 B11R1.17 CCCOc1cnccc1C 7a_100011997053_100000210303 [1,1,0,0,0,0|2,0,0]=4 3380 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [1,1,0,0,0,0|2,0,0]=4 3381 B11R1.17 CCCSc1cccc[n+]1C 62a_100000210303_100000212160 [1,1,0,0,0,0|2,0,0]=4 3382 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [1,1,0,0,0,0|2,0,0]=4 3383 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [1,1,0,0,0,0|2,0,0]=4 3384 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [1,1,0,0,0,0|1,0,0]=3 3385 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [1,1,0,0,0,0|1,0,0]=3 3386 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [1,1,0,0,0,0|2,0,0]=4 3387 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [1,1,0,0,0,0|2,0,0]=4 3388 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [1,1,0,0,0,0|2,0,0]=4 3389 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [1,1,0,0,0,0|2,0,0]=4 3390 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 3391 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [1,1,0,0,0,0|2,0,0]=4 3392 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [1,1,0,0,0,0|1,0,0]=3 3393 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [1,1,0,0,0,0|1,0,0]=3 3394 B11R1.17 CCCSc1cccnc1C 62a_100000210303_100000751574 [1,1,0,0,0,0|2,0,0]=4 3395 B11R1.17 CCCSc1cccnc1C 62a_100000751574_100000210303 [1,1,0,0,0,0|2,0,0]=4 3396 B11R1.17 CCCSc1cccnc1O 62a_100000210303_100000760158 [1,1,0,0,0,0|2,0,0]=4 3397 B11R1.17 CCCSc1cccnc1O 62a_100000760158_100000210303 [1,1,0,0,0,0|2,0,0]=4 3398 B11R1.17 CCCSc1ccncc1C 62a_100000210303_100000765111 [1,1,0,0,0,0|2,0,0]=4 3399 B11R1.17 CCCSc1ccncc1C 62a_100000765111_100000210303 [1,1,0,0,0,0|2,0,0]=4 3400 B11R1.17 CCCSc1ccncc1O 62a_100000210303_100009817591 [1,1,0,0,0,0|2,0,0]=4 3401 B11R1.17 CCCSc1ccncc1O 62a_100009817591_100000210303 [1,1,0,0,0,0|2,0,0]=4 3402 B11R1.17 CCCSc1cnccc1C 62a_100000210303_100000761580 [1,1,0,0,0,0|2,0,0]=4 3403 B11R1.17 CCCSc1cnccc1C 62a_100000761580_100000210303 [1,1,0,0,0,0|2,0,0]=4 3404 B11R1.17 CCCSc1ncccc1C 62a_100000210303_100000751373 [1,1,0,0,0,0|2,0,0]=4 3405 B11R1.17 CCCSc1ncccc1C 62a_100000751373_100000210303 [1,1,0,0,0,0|2,0,0]=4 3406 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 3407 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [1,1,0,0,0,0|2,0,0]=4 3408 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 3409 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 3410 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [1,1,0,0,0,0|2,0,0]=4 3411 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 3412 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 3413 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,1,0,0,0,0|1,0,0]=3 3414 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,1,0,0,0,0|1,0,0]=3 3415 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,1,0,0,0,0|1,0,0]=3 3416 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,1,0,0,0,0|1,0,0]=3 3417 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 3418 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 3419 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [1,1,0,0,0,0|2,0,0]=4 3420 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 3421 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 3422 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 3423 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [1,1,0,0,0,0|2,0,0]=4 3424 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 3425 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [1,1,0,0,0,0|2,0,0]=4 3426 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 3427 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [1,1,0,0,0,0|2,0,0]=4 3428 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 3429 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [1,1,0,0,0,0|1,0,0]=3 3430 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [1,1,0,0,0,0|2,0,0]=4 3431 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [1,1,0,0,0,0|2,0,0]=4 3432 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [1,1,0,0,0,0|2,0,0]=4 3433 B11R1.17 CCNCc1cccnc1O 207a_100015525214_100011998315 [1,1,0,0,0,0|2,0,0]=4 3434 B11R1.17 CCNCc1cccnc1O 270004a_100015525214_100011998315 [1,1,0,0,0,0|2,0,0]=4 3435 B11R1.17 CCNCc1ccncc1C 2230a_100015525214_100020672808 [1,1,0,0,0,0|2,0,0]=4 3436 B11R1.17 CCNCc1cnccc1C 207a_100015525214_100000685662 [1,1,0,0,0,0|2,0,0]=4 3437 B11R1.17 CCNCc1cnccc1C 2230a_100015525214_100000690890 [1,1,0,0,0,0|2,0,0]=4 3438 B11R1.17 CCNCc1cnccc1C 270004a_100015525214_100000685662 [1,1,0,0,0,0|2,0,0]=4 3439 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [1,1,0,0,0,0|2,0,0]=4 3440 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [1,1,0,0,0,0|2,0,0]=4 3441 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [1,1,0,0,0,0|2,0,0]=4 3442 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [1,1,0,0,0,0|2,0,0]=4 3443 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 3444 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [1,1,0,0,0,0|2,0,0]=4 3445 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 3446 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [1,1,0,0,0,0|1,0,0]=3 3447 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [1,1,0,0,0,0|1,0,0]=3 3448 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [1,1,0,0,0,0|1,0,0]=3 3449 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 3450 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [1,1,0,0,0,0|2,0,0]=4 3451 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 3452 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 3453 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [1,1,0,0,0,0|2,0,0]=4 3454 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 3455 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 3456 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [1,1,0,0,0,0|2,0,0]=4 3457 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 3458 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [1,1,0,0,0,0|2,0,0]=4 3459 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [1,1,0,0,0,0|1,0,0]=3 3460 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [1,1,0,0,0,0|2,0,0]=4 3461 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [1,1,0,0,0,0|2,0,0]=4 3462 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [1,1,0,0,0,0|2,0,0]=4 3463 B11R1.17 CCOCc1ccncc1C 34a_100011997032_100000210202 [1,1,0,0,0,0|2,0,0]=4 3464 B11R1.17 CCOCc1ccncc1C 34a_100121572206_100020672809 [1,1,0,0,0,0|2,0,0]=4 3465 B11R1.17 CCOCc1cnccc1C 34a_100011996381_100000210202 [1,1,0,0,0,0|2,0,0]=4 3466 B11R1.17 CCOCc1cnccc1C 34a_100121572206_100000690890 [1,1,0,0,0,0|2,0,0]=4 3467 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [1,1,0,0,0,0|2,0,0]=4 3468 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [1,1,0,0,0,0|2,0,0]=4 3469 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [1,1,0,0,0,0|2,0,0]=4 3470 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [1,1,0,0,0,0|2,0,0]=4 3471 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [1,1,0,0,0,0|2,0,0]=4 3472 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [1,1,0,0,0,0|1,0,0]=3 3473 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [1,1,0,0,0,0|1,0,0]=3 3474 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [1,1,0,0,0,0|2,0,0]=4 3475 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [1,1,0,0,0,0|2,0,0]=4 3476 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [1,1,0,0,0,0|2,0,0]=4 3477 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [1,1,0,0,0,0|2,0,0]=4 3478 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [1,1,0,0,0,0|2,0,0]=4 3479 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [1,1,0,0,0,0|2,0,0]=4 3480 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [1,1,0,0,0,0|1,0,0]=3 3481 B11R1.17 CCSCc1cccnc1C 62a_100000210202_100000732876 [1,1,0,0,0,0|2,0,0]=4 3482 B11R1.17 CCSCc1cccnc1C 62a_100000732876_100000210202 [1,1,0,0,0,0|2,0,0]=4 3483 B11R1.17 CCSCc1ccncc1C 62a_100000210202_100020672808 [1,1,0,0,0,0|2,0,0]=4 3484 B11R1.17 CCSCc1ccncc1C 62a_100020672808_100000210202 [1,1,0,0,0,0|2,0,0]=4 3485 B11R1.17 CCSCc1cnccc1C 62a_100000210202_100000690890 [1,1,0,0,0,0|2,0,0]=4 3486 B11R1.17 CCSCc1cnccc1C 62a_100000690890_100000210202 [1,1,0,0,0,0|2,0,0]=4 3487 B11R1.17 CCSCc1ncccc1C 62a_100000210202_100000696600 [1,1,0,0,0,0|2,0,0]=4 3488 B11R1.17 CCSCc1ncccc1C 62a_100000696600_100000210202 [1,1,0,0,0,0|2,0,0]=4 3489 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [1,1,0,0,0,0|2,0,0]=4 3490 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [1,1,0,0,0,0|2,0,0]=4 3491 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [1,1,0,0,0,0|1,0,0]=3 3492 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [1,1,0,0,0,0|1,0,0]=3 3493 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [1,1,0,0,0,0|1,0,0]=3 3494 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [1,1,0,0,0,0|1,0,0]=3 3495 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [1,1,0,0,0,0|1,0,0]=3 3496 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [1,1,0,0,0,0|0,0,0]=2 3497 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [1,1,0,0,0,0|0,0,0]=2 3498 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [1,1,0,0,0,0|0,0,0]=2 3499 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [1,1,0,0,0,0|0,0,0]=2 3500 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [1,1,0,0,0,0|0,0,0]=2 3501 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [1,1,0,0,0,0|1,0,0]=3 3502 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [1,1,0,0,0,0|1,0,0]=3 3503 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [1,1,0,0,0,0|1,0,0]=3 3504 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [1,1,0,0,0,0|1,0,0]=3 3505 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [1,1,0,0,0,0|1,0,0]=3 3506 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [1,1,0,0,0,0|1,0,0]=3 3507 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [1,1,0,0,0,0|1,0,0]=3 3508 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [1,1,0,0,0,0|1,0,0]=3 3509 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [1,1,0,0,0,0|1,0,0]=3 3510 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [1,1,0,0,0,0|1,0,0]=3 3511 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [1,1,0,0,0,0|1,0,0]=3 3512 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [1,1,0,0,0,0|0,0,0]=2 3513 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [1,1,0,0,0,0|0,0,0]=2 3514 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [1,1,0,0,0,0|0,0,0]=2 3515 B11R1.17 CNCCn1ccccc1=O 2230a_100000687133_200000210301 [1,1,0,0,0,0|1,0,1]=4 3516 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [1,1,0,0,0,0|2,0,0]=4 3517 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [1,1,0,0,0,0|2,0,0]=4 3518 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [1,1,0,0,0,0|2,0,0]=4 3519 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 3520 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [1,1,0,0,0,0|1,0,0]=3 3521 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 3522 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [1,1,0,0,0,0|2,0,0]=4 3523 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [1,1,0,0,0,0|2,0,0]=4 3524 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [1,1,0,0,0,0|2,0,0]=4 3525 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [1,1,0,0,0,0|2,0,0]=4 3526 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [1,1,0,0,0,0|2,0,0]=4 3527 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [1,1,0,0,0,0|2,0,0]=4 3528 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [1,1,0,0,0,0|2,0,0]=4 3529 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [1,1,0,0,0,0|2,0,0]=4 3530 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [1,1,0,0,0,0|2,0,0]=4 3531 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [1,1,0,0,0,0|1,0,0]=3 3532 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [1,1,0,0,0,0|2,0,0]=4 3533 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [1,1,0,0,0,0|2,0,0]=4 3534 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [1,1,0,0,0,0|2,0,0]=4 3535 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [1,1,0,0,0,0|2,0,0]=4 3536 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [1,1,0,0,0,0|2,0,0]=4 3537 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [1,1,0,0,0,0|2,0,0]=4 3538 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [1,1,0,0,0,0|2,0,0]=4 3539 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [1,1,0,0,0,0|2,0,0]=4 3540 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [1,1,0,0,0,0|2,0,0]=4 3541 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [1,1,0,0,0,0|1,0,0]=3 3542 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [1,1,0,0,0,0|1,0,0]=3 3543 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [1,1,0,0,0,0|2,0,0]=4 3544 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [1,1,0,0,0,0|2,0,0]=4 3545 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [1,1,0,0,0,0|2,0,0]=4 3546 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [1,1,0,0,0,0|2,0,0]=4 3547 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [1,1,0,0,0,0|1,0,0]=3 3548 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [1,1,0,0,0,0|1,0,0]=3 3549 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [1,1,0,0,0,0|2,0,0]=4 3550 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [1,1,0,0,0,0|2,0,0]=4 3551 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [1,1,0,0,0,0|2,0,0]=4 3552 B11R1.17 CSCSc1ccccc1C 62a_100000210755_100011218213 [1,1,0,0,0,0|2,0,0]=4 3553 B11R1.17 CSCSc1ccccc1C 62a_100011218213_100000210755 [1,1,0,0,0,0|2,0,0]=4 3554 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [1,1,0,0,0,0|2,0,0]=4 3555 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [1,1,0,0,0,0|2,0,0]=4 3556 B11R1.17 C[n+]1ccccc1SCCF 62a_100011217306_100000212160 [1,1,0,0,0,0|2,0,0]=4 3557 B11R1.17 C[n+]1ccccc1SCCO 62a_100000211926_100000212160 [1,1,0,0,0,0|2,0,0]=4 3558 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [1,1,0,0,0,0|0,0,0]=2 3559 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [1,1,0,0,0,0|0,0,0]=2 3560 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 3561 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 3562 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [1,1,0,0,0,0|1,0,0]=3 3563 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [1,1,0,0,0,0|1,0,0]=3 3564 B11R1.17 Cc1ccccc1CNCF 34a_100000174972_100015361967 [1,1,0,0,0,0|1,0,0]=3 3565 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [1,1,0,0,0,0|1,0,0]=3 3566 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [1,1,0,0,0,0|1,0,0]=3 3567 B11R1.17 Cc1ccccc1CSCF 62a_100000211839_100015361967 [1,1,0,0,0,0|1,0,0]=3 3568 B11R1.17 Cc1ccccc1CSCF 62a_100015361967_100000211839 [1,1,0,0,0,0|1,0,0]=3 3569 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [1,1,0,0,0,0|1,0,1]=4 3570 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [1,1,0,0,0,0|1,0,0]=3 3571 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [1,1,0,0,0,0|1,0,0]=3 3572 B11R1.17 Cc1ccccc1OCC#N 7a_100000210338_100011215382 [1,1,0,0,0,0|0,0,2]=4 3573 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [1,1,0,0,0,0|1,0,1]=4 3574 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [1,1,0,0,0,0|1,0,1]=4 3575 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [1,1,0,0,0,0|1,0,0]=3 3576 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [1,1,0,0,0,0|1,0,0]=3 3577 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [1,1,0,0,0,0|1,0,0]=3 3578 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [1,1,0,0,0,0|1,0,0]=3 3579 B11R1.17 Cc1ccccc1SCC#N 62a_100000210755_100011215382 [1,1,0,0,0,0|0,0,2]=4 3580 B11R1.17 Cc1ccccc1SCC#N 62a_100011215382_100000210755 [1,1,0,0,0,0|0,0,2]=4 3581 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [1,1,0,0,0,0|1,0,1]=4 3582 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [1,1,0,0,0,0|1,0,1]=4 3583 B11R1.17 Cc1ccccc1SCCF 62a_100000210755_100011217306 [1,1,0,0,0,0|1,0,0]=3 3584 B11R1.17 Cc1ccccc1SCCF 62a_100011217306_100000210755 [1,1,0,0,0,0|1,0,0]=3 3585 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [1,1,0,0,0,0|1,0,0]=3 3586 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [1,1,0,0,0,0|1,0,0]=3 3587 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [1,1,0,0,0,0|2,0,0]=4 3588 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [1,1,0,0,0,0|2,0,0]=4 3589 B11R1.17 Cc1cccnc1CNCF 34a_100011223789_100015361967 [1,1,0,0,0,0|2,0,0]=4 3590 B11R1.17 Cc1cccnc1COCF 34a_100000698912_100015361967 [1,1,0,0,0,0|2,0,0]=4 3591 B11R1.17 Cc1cccnc1CSCF 62a_100000696600_100015361967 [1,1,0,0,0,0|2,0,0]=4 3592 B11R1.17 Cc1cccnc1CSCF 62a_100015361967_100000696600 [1,1,0,0,0,0|2,0,0]=4 3593 B11R1.17 Cc1cccnc1SCCF 62a_100000751373_100011217306 [1,1,0,0,0,0|2,0,0]=4 3594 B11R1.17 Cc1cccnc1SCCF 62a_100011217306_100000751373 [1,1,0,0,0,0|2,0,0]=4 3595 B11R1.17 Cc1cccnc1SCCO 62a_100000211926_100000751373 [1,1,0,0,0,0|2,0,0]=4 3596 B11R1.17 Cc1cccnc1SCCO 62a_100000751373_100000211926 [1,1,0,0,0,0|2,0,0]=4 3597 B11R1.17 Cc1ccncc1COCF 34a_100011996381_100015361967 [1,1,0,0,0,0|2,0,0]=4 3598 B11R1.17 Cc1ccncc1CSCF 62a_100000690890_100015361967 [1,1,0,0,0,0|2,0,0]=4 3599 B11R1.17 Cc1ccncc1CSCF 62a_100015361967_100000690890 [1,1,0,0,0,0|2,0,0]=4 3600 B11R1.17 Cc1ccncc1OCCF 34a_100011997053_100011217306 [1,1,0,0,0,0|2,0,0]=4 3601 B11R1.17 Cc1ccncc1OCCF 7a_100011997053_100011217306 [1,1,0,0,0,0|2,0,0]=4 3602 B11R1.17 Cc1ccncc1OCCO 34a_100011997053_100000211926 [1,1,0,0,0,0|2,0,0]=4 3603 B11R1.17 Cc1ccncc1OCCO 7a_100011997053_100000211926 [1,1,0,0,0,0|2,0,0]=4 3604 B11R1.17 Cc1ccncc1SCCF 62a_100000761580_100011217306 [1,1,0,0,0,0|2,0,0]=4 3605 B11R1.17 Cc1ccncc1SCCF 62a_100011217306_100000761580 [1,1,0,0,0,0|2,0,0]=4 3606 B11R1.17 Cc1ccncc1SCCO 62a_100000211926_100000761580 [1,1,0,0,0,0|2,0,0]=4 3607 B11R1.17 Cc1ccncc1SCCO 62a_100000761580_100000211926 [1,1,0,0,0,0|2,0,0]=4 3608 B11R1.17 Cc1cnccc1COCF 34a_100011997032_100015361967 [1,1,0,0,0,0|2,0,0]=4 3609 B11R1.17 Cc1cnccc1CSCF 62a_100015361967_100020672808 [1,1,0,0,0,0|2,0,0]=4 3610 B11R1.17 Cc1cnccc1CSCF 62a_100020672808_100015361967 [1,1,0,0,0,0|2,0,0]=4 3611 B11R1.17 Cc1cnccc1NCCO 27a_100000210304_100000765111 [1,1,0,0,0,0|2,0,0]=4 3612 B11R1.17 Cc1cnccc1OCCF 34a_100000694293_100011217306 [1,1,0,0,0,0|2,0,0]=4 3613 B11R1.17 Cc1cnccc1OCCO 34a_100000694293_100000211926 [1,1,0,0,0,0|2,0,0]=4 3614 B11R1.17 Cc1cnccc1SCCF 62a_100000765111_100011217306 [1,1,0,0,0,0|2,0,0]=4 3615 B11R1.17 Cc1cnccc1SCCF 62a_100011217306_100000765111 [1,1,0,0,0,0|2,0,0]=4 3616 B11R1.17 Cc1cnccc1SCCO 62a_100000211926_100000765111 [1,1,0,0,0,0|2,0,0]=4 3617 B11R1.17 Cc1cnccc1SCCO 62a_100000765111_100000211926 [1,1,0,0,0,0|2,0,0]=4 3618 B11R1.17 Cc1ncccc1COCF 34a_100000729262_100015361967 [1,1,0,0,0,0|2,0,0]=4 3619 B11R1.17 Cc1ncccc1COCF 7a_100000729262_100015361967 [1,1,0,0,0,0|2,0,0]=4 3620 B11R1.17 Cc1ncccc1CSCF 62a_100000732876_100015361967 [1,1,0,0,0,0|2,0,0]=4 3621 B11R1.17 Cc1ncccc1CSCF 62a_100015361967_100000732876 [1,1,0,0,0,0|2,0,0]=4 3622 B11R1.17 Cc1ncccc1OCCF 34a_100000745507_100011217306 [1,1,0,0,0,0|2,0,0]=4 3623 B11R1.17 Cc1ncccc1OCCF 7a_100000745507_100011217306 [1,1,0,0,0,0|2,0,0]=4 3624 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [1,1,0,0,0,0|2,0,0]=4 3625 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [1,1,0,0,0,0|2,0,0]=4 3626 B11R1.17 Cc1ncccc1SCCF 62a_100000751574_100011217306 [1,1,0,0,0,0|2,0,0]=4 3627 B11R1.17 Cc1ncccc1SCCF 62a_100011217306_100000751574 [1,1,0,0,0,0|2,0,0]=4 3628 B11R1.17 Cc1ncccc1SCCO 62a_100000211926_100000751574 [1,1,0,0,0,0|2,0,0]=4 3629 B11R1.17 Cc1ncccc1SCCO 62a_100000751574_100000211926 [1,1,0,0,0,0|2,0,0]=4 3630 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [1,1,0,0,0,0|2,0,0]=4 3631 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [1,1,0,0,0,0|2,0,0]=4 3632 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [1,1,0,0,0,0|2,0,0]=4 3633 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [1,1,0,0,0,0|2,0,0]=4 3634 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [1,1,0,0,0,0|2,0,0]=4 3635 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [1,1,0,0,0,0|2,0,0]=4 3636 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [1,1,0,0,0,0|2,0,0]=4 3637 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [1,1,0,0,0,0|2,0,0]=4 3638 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [1,1,0,0,0,0|2,0,0]=4 3639 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [1,1,0,0,0,0|2,0,0]=4 3640 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [1,1,0,0,0,0|2,0,0]=4 3641 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [1,1,0,0,0,0|2,0,0]=4 3642 B11R1.17 FCCSc1ccccc1Br 62a_100000695589_100011217306 [1,1,0,0,0,0|2,0,0]=4 3643 B11R1.17 FCCSc1ccccc1Br 62a_100011217306_100000695589 [1,1,0,0,0,0|2,0,0]=4 3644 B11R1.17 FCCSc1ccccc1Cl 62a_100000764095_100011217306 [1,1,0,0,0,0|2,0,0]=4 3645 B11R1.17 FCCSc1ccccc1Cl 62a_100011217306_100000764095 [1,1,0,0,0,0|2,0,0]=4 3646 B11R1.17 FCCSc1ccccc1F 62a_100011215700_100011217306 [1,1,0,0,0,0|2,0,0]=4 3647 B11R1.17 FCCSc1ccccc1F 62a_100011217306_100011215700 [1,1,0,0,0,0|2,0,0]=4 3648 B11R1.17 FCNCc1ccccc1Br 34a_100000689332_100015361967 [1,1,0,0,0,0|2,0,0]=4 3649 B11R1.17 FCNCc1ccccc1Cl 34a_100000174879_100015361967 [1,1,0,0,0,0|2,0,0]=4 3650 B11R1.17 FCNCc1ccccc1F 34a_100000174869_100015361967 [1,1,0,0,0,0|2,0,0]=4 3651 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [1,1,0,0,0,0|2,0,0]=4 3652 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [1,1,0,0,0,0|2,0,0]=4 3653 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [1,1,0,0,0,0|2,0,0]=4 3654 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [1,1,0,0,0,0|2,0,0]=4 3655 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [1,1,0,0,0,0|2,0,0]=4 3656 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [1,1,0,0,0,0|2,0,0]=4 3657 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [1,1,0,0,0,0|2,0,0]=4 3658 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [1,1,0,0,0,0|2,0,0]=4 3659 B11R1.17 FCSCc1ccccc1Br 62a_100000184730_100015361967 [1,1,0,0,0,0|2,0,0]=4 3660 B11R1.17 FCSCc1ccccc1Br 62a_100015361967_100000184730 [1,1,0,0,0,0|2,0,0]=4 3661 B11R1.17 FCSCc1ccccc1Cl 62a_100000187162_100015361967 [1,1,0,0,0,0|2,0,0]=4 3662 B11R1.17 FCSCc1ccccc1Cl 62a_100015361967_100000187162 [1,1,0,0,0,0|2,0,0]=4 3663 B11R1.17 FCSCc1ccccc1F 62a_100000211605_100015361967 [1,1,0,0,0,0|2,0,0]=4 3664 B11R1.17 FCSCc1ccccc1F 62a_100015361967_100000211605 [1,1,0,0,0,0|2,0,0]=4 3665 B11R1.17 FCSCc1ccccc1I 62a_100011216222_100015361967 [1,1,0,0,0,0|2,0,0]=4 3666 B11R1.17 FCSCc1ccccc1I 62a_100015361967_100011216222 [1,1,0,0,0,0|2,0,0]=4 3667 B11R1.17 N#CCOc1ccccc1O 271570a_203496583355_200000173881 [1,1,0,0,0,0|0,0,2]=4 3668 B11R1.17 N#CCSc1ccccc1O 62a_100000739446_100011215382 [1,1,0,0,0,0|0,0,2]=4 3669 B11R1.17 N#CCSc1ccccc1O 62a_100011215382_100000739446 [1,1,0,0,0,0|0,0,2]=4 3670 B11R1.17 N#CSCc1ccccc1O 271570a_203496583355_200010199460 [1,1,0,0,0,0|0,0,2]=4 3671 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [1,1,0,0,0,0|0,0,0]=2 3672 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [1,1,0,0,0,0|2,0,0]=4 3673 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|2,0,0]=4 3674 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [1,1,0,0,0,0|2,0,0]=4 3675 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [1,1,0,0,0,0|2,0,0]=4 3676 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [1,1,0,0,0,0|2,0,0]=4 3677 B11R1.17 Nc1ccccc1SCCF 62a_100000210017_100011217306 [1,1,0,0,0,0|2,0,0]=4 3678 B11R1.17 Nc1ccccc1SCCF 62a_100011217306_100000210017 [1,1,0,0,0,0|2,0,0]=4 3679 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [1,1,0,0,0,0|2,0,0]=4 3680 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [1,1,0,0,0,0|2,0,0]=4 3681 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,1,0,0,0,0|1,0,0]=3 3682 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,1,0,0,0,0|1,0,1]=4 3683 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,1,0,0,0,0|1,0,1]=4 3684 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,1,0,0,0,0|1,0,1]=4 3685 B11R1.17 OCC#Cc1ccccc1O 271570a_203496583355_100009814404 [1,1,0,0,0,0|1,0,1]=4 3686 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,1,0,0,0,0|1,0,0]=3 3687 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [1,1,0,0,0,0|2,0,0]=4 3688 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [1,1,0,0,0,0|2,0,0]=4 3689 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [1,1,0,0,0,0|2,0,0]=4 3690 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [1,1,0,0,0,0|2,0,0]=4 3691 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [1,1,0,0,0,0|1,0,0]=3 3692 B11R1.17 OCCNc1ncccc1O 271570a_203496583355_200011464885 [1,1,0,0,0,0|2,0,0]=4 3693 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [1,1,0,0,0,0|2,0,0]=4 3694 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [1,1,0,0,0,0|2,0,0]=4 3695 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [1,1,0,0,0,0|2,0,0]=4 3696 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [1,1,0,0,0,0|2,0,0]=4 3697 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [1,1,0,0,0,0|2,0,0]=4 3698 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [1,1,0,0,0,0|2,0,0]=4 3699 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [1,1,0,0,0,0|2,0,0]=4 3700 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [1,1,0,0,0,0|2,0,0]=4 3701 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [1,1,0,0,0,0|1,0,0]=3 3702 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [1,1,0,0,0,0|2,0,0]=4 3703 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [1,1,0,0,0,0|2,0,0]=4 3704 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [1,1,0,0,0,0|2,0,0]=4 3705 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [1,1,0,0,0,0|2,0,0]=4 3706 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [1,1,0,0,0,0|2,0,0]=4 3707 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [1,1,0,0,0,0|2,0,0]=4 3708 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [1,1,0,0,0,0|1,0,0]=3 3709 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [1,1,0,0,0,0|1,0,0]=3 3710 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [1,1,0,0,0,0|1,0,0]=3 3711 B11R1.17 OCCSc1cccnc1O 62a_100000211926_100000760158 [1,1,0,0,0,0|2,0,0]=4 3712 B11R1.17 OCCSc1cccnc1O 62a_100000760158_100000211926 [1,1,0,0,0,0|2,0,0]=4 3713 B11R1.17 OCCSc1ccncc1O 62a_100000211926_100009817591 [1,1,0,0,0,0|2,0,0]=4 3714 B11R1.17 OCCSc1ccncc1O 62a_100009817591_100000211926 [1,1,0,0,0,0|2,0,0]=4 3715 B11R1.17 OCCSc1ncccc1O 62a_100000034122_100000211926 [1,1,0,0,0,0|2,0,0]=4 3716 B11R1.17 OCCSc1ncccc1O 62a_100000211926_100000034122 [1,1,0,0,0,0|2,0,0]=4 3717 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [1,1,0,0,0,0|1,0,0]=3 3718 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|1,0,0]=3 3719 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [1,1,0,0,0,0|1,0,0]=3 3720 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [1,1,0,0,0,0|1,0,0]=3 3721 B11R1.17 Oc1cccnc1CSCF 62a_100015361967_200020655725 [1,1,0,0,0,0|2,0,0]=4 3722 B11R1.17 Oc1cccnc1CSCF 62a_200020655725_100015361967 [1,1,0,0,0,0|2,0,0]=4 3723 B11R1.17 Oc1cccnc1SCCF 62a_100000034122_100011217306 [1,1,0,0,0,0|2,0,0]=4 3724 B11R1.17 Oc1cccnc1SCCF 62a_100011217306_100000034122 [1,1,0,0,0,0|2,0,0]=4 3725 B11R1.17 Oc1cnccc1SCCF 62a_100009817591_100011217306 [1,1,0,0,0,0|2,0,0]=4 3726 B11R1.17 Oc1cnccc1SCCF 62a_100011217306_100009817591 [1,1,0,0,0,0|2,0,0]=4 3727 B11R1.17 Oc1ncccc1OCCF 271570a_203496583355_100012814765 [1,1,0,0,0,0|2,0,0]=4 3728 B11R1.17 Oc1ncccc1SCCF 62a_100000760158_100011217306 [1,1,0,0,0,0|2,0,0]=4 3729 B11R1.17 Oc1ncccc1SCCF 62a_100011217306_100000760158 [1,1,0,0,0,0|2,0,0]=4 3730 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [1,1,0,0,0,0|1,0,0]=3 3731 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [1,1,0,0,0,0|1,0,0]=3 3732 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [1,1,0,0,0,0|1,0,0]=3 3733 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [1,1,0,0,0,0|1,0,0]=3 3734 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [1,1,0,0,0,0|1,0,0]=3 3735 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [1,1,0,0,0,0|1,0,0]=3 3736 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [1,1,0,0,0,0|0,0,0]=2 3737 B11R1.17 [13CH3]NCCn1ccccc1=O 2230a_100000687133_200025704644 [1,1,0,0,0,0|1,0,1]=4 3738 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [1,1,0,0,0,0|2,0,0]=4 3739 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [1,1,0,0,0,0|2,0,0]=4 3740 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [1,1,0,0,0,0|2,0,0]=4 3741 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [1,1,0,0,0,0|2,0,0]=4 3742 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [1,1,0,0,0,0|2,0,0]=4 3743 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [1,1,0,0,0,0|2,0,0]=4 3744 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [1,1,0,0,0,0|2,0,0]=4 3745 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [1,1,0,0,0,0|2,0,0]=4 3746 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [1,1,0,0,0,0|2,0,0]=4 3747 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [1,1,0,0,0,0|2,0,0]=4 3748 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [1,1,0,0,0,0|2,0,0]=4 3749 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [1,1,0,0,0,0|2,0,0]=4 3750 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [1,1,0,0,0,0|2,0,0]=4 3751 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [1,1,0,0,0,0|2,0,0]=4 3752 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [1,1,0,0,0,0|2,0,0]=4 3753 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [1,1,0,0,0,0|1,0,0]=3 3754 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [1,1,0,0,0,0|1,0,0]=3 3755 B11R1.81 CCNc1ccc(cc1C)Br 34a_100000211769_100000210202 [1,1,0,0,0,0|2,0,0]=4 3756 B11R1.81 CCNc1ccc(cc1C)Br 7a_100000211769_100000210202 [1,1,0,0,0,0|2,0,0]=4 3757 B11R1.81 CCNc1ccc(cc1C)C 34a_100000736561_100000210202 [1,1,0,0,0,0|2,0,0]=4 3758 B11R1.81 CCNc1ccc(cc1C)C 7a_100000736561_100000210202 [1,1,0,0,0,0|2,0,0]=4 3759 B11R1.81 CCNc1ccc(cc1C)Cl 34a_100000210418_100000210202 [1,1,0,0,0,0|2,0,0]=4 3760 B11R1.81 CCNc1ccc(cc1C)Cl 7a_100000210418_100000210202 [1,1,0,0,0,0|2,0,0]=4 3761 B11R1.81 CCNc1ccc(cc1C)F 34a_100000211637_100000210202 [1,1,0,0,0,0|2,0,0]=4 3762 B11R1.81 CCNc1ccc(cc1C)F 7a_100000211637_100000210202 [1,1,0,0,0,0|2,0,0]=4 3763 B11R1.81 CCNc1ccc(cc1C)I 34a_100000184554_100000210202 [1,1,0,0,0,0|2,0,0]=4 3764 B11R1.81 CCNc1ccc(cc1C)I 7a_100000184554_100000210202 [1,1,0,0,0,0|2,0,0]=4 3765 B11R1.81 CCNc1ccc(cc1C)O 34a_100000756630_100000210202 [1,1,0,0,0,0|2,0,0]=4 3766 B11R1.81 CCNc1ccc(cc1O)Br 34a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 3767 B11R1.81 CCNc1ccc(cc1O)C 34a_100000211527_100000210202 [1,1,0,0,0,0|2,0,0]=4 3768 B11R1.81 CCNc1ccc(cc1O)Cl 34a_100000185728_100000210202 [1,1,0,0,0,0|2,0,0]=4 3769 B11R1.81 CCNc1ccc(cc1O)F 34a_100000753323_100000210202 [1,1,0,0,0,0|2,0,0]=4 3770 B11R1.81 CCNc1ccc(cc1O)O 34a_100000106777_100000210202 [1,1,0,0,0,0|2,0,0]=4 3771 B11R1.81 CCOc1ccc(cc1C)Br 34a_100000186361_100000210202 [1,1,0,0,0,0|2,0,0]=4 3772 B11R1.81 CCOc1ccc(cc1C)Br 7a_100000186361_100000210202 [1,1,0,0,0,0|2,0,0]=4 3773 B11R1.81 CCOc1ccc(cc1C)C 34a_100000211776_100000210202 [1,1,0,0,0,0|2,0,0]=4 3774 B11R1.81 CCOc1ccc(cc1C)C 7a_100000211776_100000210202 [1,1,0,0,0,0|2,0,0]=4 3775 B11R1.81 CCOc1ccc(cc1C)Cl 34a_100000211091_100000210202 [1,1,0,0,0,0|2,0,0]=4 3776 B11R1.81 CCOc1ccc(cc1C)Cl 7a_100000211091_100000210202 [1,1,0,0,0,0|2,0,0]=4 3777 B11R1.81 CCOc1ccc(cc1C)F 34a_100000764316_100000210202 [1,1,0,0,0,0|2,0,0]=4 3778 B11R1.81 CCOc1ccc(cc1C)F 7a_100000764316_100000210202 [1,1,0,0,0,0|2,0,0]=4 3779 B11R1.81 CCOc1ccc(cc1C)I 34a_100011218673_100000210202 [1,1,0,0,0,0|2,0,0]=4 3780 B11R1.81 CCOc1ccc(cc1C)I 7a_100011218673_100000210202 [1,1,0,0,0,0|2,0,0]=4 3781 B11R1.81 CCOc1ccc(cc1C)N 34a_100011218179_100000210202 [1,1,0,0,0,0|2,0,0]=4 3782 B11R1.81 CCOc1ccc(cc1C)N 7a_100011218179_100000210202 [1,1,0,0,0,0|2,0,0]=4 3783 B11R1.81 CCOc1ccc(cc1C)O 271570a_203496583355_100011308936 [1,1,0,0,0,0|2,0,0]=4 3784 B11R1.81 CCOc1ccc(cc1O)C 271570a_203496583355_200000230997 [1,1,0,0,0,0|2,0,0]=4 3785 B11R1.81 CCOc1ccc(cc1O)F 271570a_203496583355_100000171695 [1,1,0,0,0,0|2,0,0]=4 3786 B11R1.81 CCSc1ccc(cc1C)Br 62a_100000210202_100000701812 [1,1,0,0,0,0|2,0,0]=4 3787 B11R1.81 CCSc1ccc(cc1C)Br 62a_100000701812_100000210202 [1,1,0,0,0,0|2,0,0]=4 3788 B11R1.81 CCSc1ccc(cc1C)C 62a_100000210202_100011217332 [1,1,0,0,0,0|2,0,0]=4 3789 B11R1.81 CCSc1ccc(cc1C)C 62a_100011217332_100000210202 [1,1,0,0,0,0|2,0,0]=4 3790 B11R1.81 CCSc1ccc(cc1C)Cl 62a_100000210202_100011219607 [1,1,0,0,0,0|2,0,0]=4 3791 B11R1.81 CCSc1ccc(cc1C)Cl 62a_100011219607_100000210202 [1,1,0,0,0,0|2,0,0]=4 3792 B11R1.81 CCSc1ccc(cc1C)F 62a_100000210202_100011205405 [1,1,0,0,0,0|2,0,0]=4 3793 B11R1.81 CCSc1ccc(cc1C)F 62a_100011205405_100000210202 [1,1,0,0,0,0|2,0,0]=4 3794 B11R1.81 CCSc1ccc(cc1C)N 62a_100000210202_100000210723 [1,1,0,0,0,0|2,0,0]=4 3795 B11R1.81 CCSc1ccc(cc1C)N 62a_100000210723_100000210202 [1,1,0,0,0,0|2,0,0]=4 3796 B11R1.81 CCSc1ccc(cc1C)O 62a_100000210202_100000690111 [1,1,0,0,0,0|2,0,0]=4 3797 B11R1.81 CCSc1ccc(cc1O)Br 62a_100000210202_100012344904 [1,1,0,0,0,0|2,0,0]=4 3798 B11R1.81 CCSc1ccc(cc1O)Br 62a_100012344904_100000210202 [1,1,0,0,0,0|2,0,0]=4 3799 B11R1.81 CCSc1ccc(cc1O)C 62a_100000210202_100012002257 [1,1,0,0,0,0|2,0,0]=4 3800 B11R1.81 CCSc1ccc(cc1O)C 62a_100012002257_100000210202 [1,1,0,0,0,0|2,0,0]=4 3801 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000050036_100000210202 [1,1,0,0,0,0|2,0,0]=4 3802 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000210202_100000050036 [1,1,0,0,0,0|2,0,0]=4 3803 B11R1.81 CCSc1ccc(cc1O)F 62a_100000210202_100000690578 [1,1,0,0,0,0|2,0,0]=4 3804 B11R1.81 CCSc1ccc(cc1O)F 62a_100000690578_100000210202 [1,1,0,0,0,0|2,0,0]=4 3805 B11R1.81 CCSc1ccc(cc1O)O 62a_100000210202_100009813921 [1,1,0,0,0,0|2,0,0]=4 3806 B11R1.81 CNCc1ccc(cc1C)Br 207a_100102657272_100000687586 [1,1,0,0,0,0|2,0,0]=4 3807 B11R1.81 CNCc1ccc(cc1C)Br 2230a_106832991635_100000708836 [1,1,0,0,0,0|2,0,0]=4 3808 B11R1.81 CNCc1ccc(cc1C)Br 26a_100102657272_100000186361 [1,1,0,0,0,0|2,0,0]=4 3809 B11R1.81 CNCc1ccc(cc1C)Br 270004a_106832991635_100000687586 [1,1,0,0,0,0|2,0,0]=4 3810 B11R1.81 CNCc1ccc(cc1C)Br 34a_100000753881_200000210301 [1,1,0,0,0,0|2,0,0]=4 3811 B11R1.81 CNCc1ccc(cc1C)Br 34a_100102657272_100000708836 [1,1,0,0,0,0|2,0,0]=4 3812 B11R1.81 CNCc1ccc(cc1C)Br 7a_106832991635_100000708836 [1,1,0,0,0,0|2,0,0]=4 3813 B11R1.81 CNCc1ccc(cc1C)C 207a_100102657272_100000211342 [1,1,0,0,0,0|2,0,0]=4 3814 B11R1.81 CNCc1ccc(cc1C)C 2230a_106832991635_100011219618 [1,1,0,0,0,0|2,0,0]=4 3815 B11R1.81 CNCc1ccc(cc1C)C 270004a_106832991635_100000211342 [1,1,0,0,0,0|2,0,0]=4 3816 B11R1.81 CNCc1ccc(cc1C)C 34a_100000737523_200000210301 [1,1,0,0,0,0|2,0,0]=4 3817 B11R1.81 CNCc1ccc(cc1C)C 34a_100102657272_100011219618 [1,1,0,0,0,0|2,0,0]=4 3818 B11R1.81 CNCc1ccc(cc1C)C 7a_106832991635_100011219618 [1,1,0,0,0,0|2,0,0]=4 3819 B11R1.81 CNCc1ccc(cc1C)Cl 207a_100102657272_100000766358 [1,1,0,0,0,0|2,0,0]=4 3820 B11R1.81 CNCc1ccc(cc1C)Cl 2230a_106832991635_100012361307 [1,1,0,0,0,0|2,0,0]=4 3821 B11R1.81 CNCc1ccc(cc1C)Cl 270004a_106832991635_100000766358 [1,1,0,0,0,0|2,0,0]=4 3822 B11R1.81 CNCc1ccc(cc1C)Cl 34a_100102657272_100012361307 [1,1,0,0,0,0|2,0,0]=4 3823 B11R1.81 CNCc1ccc(cc1C)Cl 34a_103436540063_200000210301 [1,1,0,0,0,0|2,0,0]=4 3824 B11R1.81 CNCc1ccc(cc1C)Cl 7a_106832991635_100012361307 [1,1,0,0,0,0|2,0,0]=4 3825 B11R1.81 CNCc1ccc(cc1C)F 207a_100102657272_100000745986 [1,1,0,0,0,0|2,0,0]=4 3826 B11R1.81 CNCc1ccc(cc1C)F 2230a_106832991635_100000700533 [1,1,0,0,0,0|2,0,0]=4 3827 B11R1.81 CNCc1ccc(cc1C)F 270004a_106832991635_100000745986 [1,1,0,0,0,0|2,0,0]=4 3828 B11R1.81 CNCc1ccc(cc1C)F 34a_100102657272_100000700533 [1,1,0,0,0,0|2,0,0]=4 3829 B11R1.81 CNCc1ccc(cc1C)F 34a_100137329023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3830 B11R1.81 CNCc1ccc(cc1C)F 7a_106832991635_100000700533 [1,1,0,0,0,0|2,0,0]=4 3831 B11R1.81 CNCc1ccc(cc1O)F 271570a_203496583355_200011192132 [1,1,0,0,0,0|2,0,0]=4 3832 B11R1.81 COCc1ccc(cc1C)Br 34a_100000748258_200000210301 [1,1,0,0,0,0|2,0,0]=4 3833 B11R1.81 COCc1ccc(cc1C)Br 34a_100138415774_100000708836 [1,1,0,0,0,0|2,0,0]=4 3834 B11R1.81 COCc1ccc(cc1C)Br 7a_100000748258_200000210301 [1,1,0,0,0,0|2,0,0]=4 3835 B11R1.81 COCc1ccc(cc1C)C 34a_100011215341_200000210301 [1,1,0,0,0,0|2,0,0]=4 3836 B11R1.81 COCc1ccc(cc1C)C 34a_100138415774_100011219618 [1,1,0,0,0,0|2,0,0]=4 3837 B11R1.81 COCc1ccc(cc1C)C 7a_100011215341_200000210301 [1,1,0,0,0,0|2,0,0]=4 3838 B11R1.81 COCc1ccc(cc1C)Cl 34a_100000702939_200000210301 [1,1,0,0,0,0|2,0,0]=4 3839 B11R1.81 COCc1ccc(cc1C)Cl 34a_100138415774_100012361307 [1,1,0,0,0,0|2,0,0]=4 3840 B11R1.81 COCc1ccc(cc1C)Cl 7a_100000702939_200000210301 [1,1,0,0,0,0|2,0,0]=4 3841 B11R1.81 COCc1ccc(cc1C)F 34a_100000700136_200000210301 [1,1,0,0,0,0|2,0,0]=4 3842 B11R1.81 COCc1ccc(cc1C)F 34a_100138415774_100000700533 [1,1,0,0,0,0|2,0,0]=4 3843 B11R1.81 COCc1ccc(cc1C)F 7a_100000700136_200000210301 [1,1,0,0,0,0|2,0,0]=4 3844 B11R1.81 COCc1ccc(cc1C)N 34a_100000102464_200000210301 [1,1,0,0,0,0|2,0,0]=4 3845 B11R1.81 COCc1ccc(cc1C)N 7a_100000102464_200000210301 [1,1,0,0,0,0|2,0,0]=4 3846 B11R1.81 CSCc1ccc(cc1C)Br 62a_100000708836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3847 B11R1.81 CSCc1ccc(cc1C)Br 62a_200000210301_100000708836 [1,1,0,0,0,0|2,0,0]=4 3848 B11R1.81 CSCc1ccc(cc1C)C 62a_100011219618_200000210301 [1,1,0,0,0,0|2,0,0]=4 3849 B11R1.81 CSCc1ccc(cc1C)C 62a_200000210301_100011219618 [1,1,0,0,0,0|2,0,0]=4 3850 B11R1.81 CSCc1ccc(cc1C)Cl 62a_100012361307_200000210301 [1,1,0,0,0,0|2,0,0]=4 3851 B11R1.81 CSCc1ccc(cc1C)Cl 62a_200000210301_100012361307 [1,1,0,0,0,0|2,0,0]=4 3852 B11R1.81 CSCc1ccc(cc1C)F 62a_100000700533_200000210301 [1,1,0,0,0,0|2,0,0]=4 3853 B11R1.81 CSCc1ccc(cc1C)F 62a_200000210301_100000700533 [1,1,0,0,0,0|2,0,0]=4 3854 B11R1.81 Cc1cc(ccc1CC#N)O 271570a_203496583355_100000697864 [1,1,0,0,0,0|0,0,2]=4 3855 B11R1.81 Cc1cc(ccc1CN[13CH3])Br 34a_100000753881_200025704644 [1,1,0,0,0,0|2,0,0]=4 3856 B11R1.81 Cc1cc(ccc1CN[13CH3])Cl 34a_103436540063_200025704644 [1,1,0,0,0,0|2,0,0]=4 3857 B11R1.81 Cc1cc(ccc1CN[13CH3])F 34a_100137329023_200025704644 [1,1,0,0,0,0|2,0,0]=4 3858 B11R1.81 Cc1cc(ccc1CO[13CH3])Br 34a_100000748258_200025704644 [1,1,0,0,0,0|2,0,0]=4 3859 B11R1.81 Cc1cc(ccc1CO[13CH3])Br 7a_100000748258_200025704644 [1,1,0,0,0,0|2,0,0]=4 3860 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 34a_100000702939_200025704644 [1,1,0,0,0,0|2,0,0]=4 3861 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 7a_100000702939_200025704644 [1,1,0,0,0,0|2,0,0]=4 3862 B11R1.81 Cc1cc(ccc1CO[13CH3])F 34a_100000700136_200025704644 [1,1,0,0,0,0|2,0,0]=4 3863 B11R1.81 Cc1cc(ccc1CO[13CH3])F 7a_100000700136_200025704644 [1,1,0,0,0,0|2,0,0]=4 3864 B11R1.81 Cc1cc(ccc1CO[13CH3])N 34a_100000102464_200025704644 [1,1,0,0,0,0|2,0,0]=4 3865 B11R1.81 Cc1cc(ccc1CO[13CH3])N 7a_100000102464_200025704644 [1,1,0,0,0,0|2,0,0]=4 3866 B11R1.81 Cc1cc(ccc1CS[13CH3])Br 62a_100000708836_200025704644 [1,1,0,0,0,0|2,0,0]=4 3867 B11R1.81 Cc1cc(ccc1CS[13CH3])Br 62a_200025704644_100000708836 [1,1,0,0,0,0|2,0,0]=4 3868 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_100012361307_200025704644 [1,1,0,0,0,0|2,0,0]=4 3869 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_200025704644_100012361307 [1,1,0,0,0,0|2,0,0]=4 3870 B11R1.81 Cc1cc(ccc1CS[13CH3])F 62a_100000700533_200025704644 [1,1,0,0,0,0|2,0,0]=4 3871 B11R1.81 Cc1cc(ccc1CS[13CH3])F 62a_200025704644_100000700533 [1,1,0,0,0,0|2,0,0]=4 3872 B11R1.81 Cc1cc(ccc1NCF)Br 34a_100000211769_100015361967 [1,1,0,0,0,0|2,0,0]=4 3873 B11R1.81 Cc1cc(ccc1NCF)Br 7a_100000211769_100015361967 [1,1,0,0,0,0|2,0,0]=4 3874 B11R1.81 Cc1cc(ccc1NCF)Cl 34a_100000210418_100015361967 [1,1,0,0,0,0|2,0,0]=4 3875 B11R1.81 Cc1cc(ccc1NCF)Cl 7a_100000210418_100015361967 [1,1,0,0,0,0|2,0,0]=4 3876 B11R1.81 Cc1cc(ccc1NCF)F 34a_100000211637_100015361967 [1,1,0,0,0,0|2,0,0]=4 3877 B11R1.81 Cc1cc(ccc1NCF)F 7a_100000211637_100015361967 [1,1,0,0,0,0|2,0,0]=4 3878 B11R1.81 Cc1cc(ccc1NCF)I 34a_100000184554_100015361967 [1,1,0,0,0,0|2,0,0]=4 3879 B11R1.81 Cc1cc(ccc1NCF)I 7a_100000184554_100015361967 [1,1,0,0,0,0|2,0,0]=4 3880 B11R1.81 Cc1cc(ccc1NCF)O 34a_100000756630_100015361967 [1,1,0,0,0,0|2,0,0]=4 3881 B11R1.81 Cc1cc(ccc1OCF)Br 34a_100000186361_100015361967 [1,1,0,0,0,0|2,0,0]=4 3882 B11R1.81 Cc1cc(ccc1OCF)Br 7a_100000186361_100015361967 [1,1,0,0,0,0|2,0,0]=4 3883 B11R1.81 Cc1cc(ccc1OCF)Cl 34a_100000211091_100015361967 [1,1,0,0,0,0|2,0,0]=4 3884 B11R1.81 Cc1cc(ccc1OCF)Cl 7a_100000211091_100015361967 [1,1,0,0,0,0|2,0,0]=4 3885 B11R1.81 Cc1cc(ccc1OCF)F 34a_100000764316_100015361967 [1,1,0,0,0,0|2,0,0]=4 3886 B11R1.81 Cc1cc(ccc1OCF)F 7a_100000764316_100015361967 [1,1,0,0,0,0|2,0,0]=4 3887 B11R1.81 Cc1cc(ccc1OCF)I 34a_100011218673_100015361967 [1,1,0,0,0,0|2,0,0]=4 3888 B11R1.81 Cc1cc(ccc1OCF)I 7a_100011218673_100015361967 [1,1,0,0,0,0|2,0,0]=4 3889 B11R1.81 Cc1cc(ccc1OCF)N 34a_100011218179_100015361967 [1,1,0,0,0,0|2,0,0]=4 3890 B11R1.81 Cc1cc(ccc1OCF)N 7a_100011218179_100015361967 [1,1,0,0,0,0|2,0,0]=4 3891 B11R1.81 Cc1cc(ccc1SCF)Br 62a_100000701812_100015361967 [1,1,0,0,0,0|2,0,0]=4 3892 B11R1.81 Cc1cc(ccc1SCF)Br 62a_100015361967_100000701812 [1,1,0,0,0,0|2,0,0]=4 3893 B11R1.81 Cc1cc(ccc1SCF)Cl 62a_100011219607_100015361967 [1,1,0,0,0,0|2,0,0]=4 3894 B11R1.81 Cc1cc(ccc1SCF)Cl 62a_100015361967_100011219607 [1,1,0,0,0,0|2,0,0]=4 3895 B11R1.81 Cc1cc(ccc1SCF)F 62a_100011205405_100015361967 [1,1,0,0,0,0|2,0,0]=4 3896 B11R1.81 Cc1cc(ccc1SCF)F 62a_100015361967_100011205405 [1,1,0,0,0,0|2,0,0]=4 3897 B11R1.81 Cc1cc(ccc1SCF)N 62a_100000210723_100015361967 [1,1,0,0,0,0|2,0,0]=4 3898 B11R1.81 Cc1cc(ccc1SCF)N 62a_100015361967_100000210723 [1,1,0,0,0,0|2,0,0]=4 3899 B11R1.81 Cc1cc(ccc1SCF)O 62a_100015361967_100000690111 [1,1,0,0,0,0|2,0,0]=4 3900 B11R1.81 Cc1ccc(c(c1)C)CN[13CH3] 34a_100000737523_200025704644 [1,1,0,0,0,0|2,0,0]=4 3901 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 34a_100011215341_200025704644 [1,1,0,0,0,0|2,0,0]=4 3902 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 7a_100011215341_200025704644 [1,1,0,0,0,0|2,0,0]=4 3903 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_100011219618_200025704644 [1,1,0,0,0,0|2,0,0]=4 3904 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_200025704644_100011219618 [1,1,0,0,0,0|2,0,0]=4 3905 B11R1.81 Cc1ccc(c(c1)C)NCF 34a_100000736561_100015361967 [1,1,0,0,0,0|2,0,0]=4 3906 B11R1.81 Cc1ccc(c(c1)C)NCF 7a_100000736561_100015361967 [1,1,0,0,0,0|2,0,0]=4 3907 B11R1.81 Cc1ccc(c(c1)C)OCF 34a_100000211776_100015361967 [1,1,0,0,0,0|2,0,0]=4 3908 B11R1.81 Cc1ccc(c(c1)C)OCF 7a_100000211776_100015361967 [1,1,0,0,0,0|2,0,0]=4 3909 B11R1.81 Cc1ccc(c(c1)C)SCF 62a_100011217332_100015361967 [1,1,0,0,0,0|2,0,0]=4 3910 B11R1.81 Cc1ccc(c(c1)C)SCF 62a_100015361967_100011217332 [1,1,0,0,0,0|2,0,0]=4 3911 B11R1.81 Cc1ccc(c(c1)O)NCF 34a_100000211527_100015361967 [1,1,0,0,0,0|2,0,0]=4 3912 B11R1.81 Cc1ccc(c(c1)O)SCF 62a_100012002257_100015361967 [1,1,0,0,0,0|2,0,0]=4 3913 B11R1.81 Cc1ccc(c(c1)O)SCF 62a_100015361967_100012002257 [1,1,0,0,0,0|2,0,0]=4 3914 B11R1.81 N#CCc1ccc(cc1O)F 271570a_203496583355_100011207962 [1,1,0,0,0,0|0,0,2]=4 3915 B11R1.81 OCCc1ccc(cc1F)O 271570a_203496583355_100011962869 [1,1,0,0,0,0|2,0,0]=4 3916 B11R1.81 Oc1cc(ccc1NCF)Br 34a_100000739049_100015361967 [1,1,0,0,0,0|2,0,0]=4 3917 B11R1.81 Oc1cc(ccc1NCF)Cl 34a_100000185728_100015361967 [1,1,0,0,0,0|2,0,0]=4 3918 B11R1.81 Oc1cc(ccc1NCF)F 34a_100000753323_100015361967 [1,1,0,0,0,0|2,0,0]=4 3919 B11R1.81 Oc1cc(ccc1SCF)Br 62a_100012344904_100015361967 [1,1,0,0,0,0|2,0,0]=4 3920 B11R1.81 Oc1cc(ccc1SCF)Br 62a_100015361967_100012344904 [1,1,0,0,0,0|2,0,0]=4 3921 B11R1.81 Oc1cc(ccc1SCF)Cl 62a_100000050036_100015361967 [1,1,0,0,0,0|2,0,0]=4 3922 B11R1.81 Oc1cc(ccc1SCF)Cl 62a_100015361967_100000050036 [1,1,0,0,0,0|2,0,0]=4 3923 B11R1.81 Oc1cc(ccc1SCF)F 62a_100000690578_100015361967 [1,1,0,0,0,0|2,0,0]=4 3924 B11R1.81 Oc1cc(ccc1SCF)F 62a_100015361967_100000690578 [1,1,0,0,0,0|2,0,0]=4 3925 B11R1.81 Oc1ccc(c(c1)O)NCF 34a_100000106777_100015361967 [1,1,0,0,0,0|2,0,0]=4 3926 B11R1.81 Oc1ccc(c(c1)O)SCF 62a_100015361967_100009813921 [1,1,0,0,0,0|2,0,0]=4 3927 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,1,0,0,0,0|1,0,1]=4 3928 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,1,0,0,0,0|1,0,1]=4 3929 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,1,0,0,0,0|1,0,1]=4 3930 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,1,0,0,0,0|1,0,1]=4 3931 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [1,1,0,0,0,0|2,0,0]=4 3932 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [1,1,0,0,0,0|2,0,0]=4 3933 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [1,1,0,0,0,0|2,0,0]=4 3934 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [1,1,0,0,0,0|2,0,0]=4 3935 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [1,1,0,0,0,0|2,0,0]=4 3936 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [1,1,0,0,0,0|2,0,0]=4 3937 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [1,1,0,0,0,0|2,0,0]=4 3938 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [1,1,0,0,0,0|2,0,0]=4 3939 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [1,1,0,0,0,0|2,0,0]=4 3940 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [1,1,0,0,0,0|2,0,0]=4 3941 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,1,0,0,0,0|1,0,1]=4 3942 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [1,1,0,0,0,0|2,0,0]=4 3943 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [1,1,0,0,0,0|2,0,0]=4 3944 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [1,1,0,0,0,0|2,0,0]=4 3945 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [1,1,0,0,0,0|2,0,0]=4 3946 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [1,1,0,0,0,0|2,0,0]=4 3947 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [1,1,0,0,0,0|2,0,0]=4 3948 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [1,1,0,0,0,0|2,0,0]=4 3949 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [1,1,0,0,0,0|2,0,0]=4 3950 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [1,1,0,0,0,0|2,0,0]=4 3951 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [1,1,0,0,0,0|2,0,0]=4 3952 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [1,1,0,0,0,0|2,0,0]=4 3953 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [1,1,0,0,0,0|2,0,0]=4 3954 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,1,0,0,0,0|0,0,1]=3 3955 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,1,0,0,0,0|1,0,1]=4 3956 B11R1.86 Oc1ccccc1OC(F)F 271570a_203496583355_100000742724 [1,1,0,0,0,0|2,0,0]=4 3957 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,1,0,0,0,0|1,0,1]=4 3958 B11R1.182 CCNc1cc(ccc1C)Br 34a_100000741167_100000210202 [1,1,0,0,0,0|2,0,0]=4 3959 B11R1.182 CCNc1cc(ccc1C)Br 7a_100000741167_100000210202 [1,1,0,0,0,0|2,0,0]=4 3960 B11R1.182 CCNc1cc(ccc1C)C 2230a_100000185781_100000210202 [1,1,0,0,0,0|2,0,0]=4 3961 B11R1.182 CCNc1cc(ccc1C)C 34a_100000185781_100000210202 [1,1,0,0,0,0|2,0,0]=4 3962 B11R1.182 CCNc1cc(ccc1C)C 7a_100000185781_100000210202 [1,1,0,0,0,0|2,0,0]=4 3963 B11R1.182 CCNc1cc(ccc1C)Cl 34a_100000211374_100000210202 [1,1,0,0,0,0|2,0,0]=4 3964 B11R1.182 CCNc1cc(ccc1C)Cl 7a_100000211374_100000210202 [1,1,0,0,0,0|2,0,0]=4 3965 B11R1.182 CCNc1cc(ccc1C)F 34a_100000211107_100000210202 [1,1,0,0,0,0|2,0,0]=4 3966 B11R1.182 CCNc1cc(ccc1C)F 7a_100000211107_100000210202 [1,1,0,0,0,0|2,0,0]=4 3967 B11R1.182 CCNc1cc(ccc1C)I 7a_100000761890_100000210202 [1,1,0,0,0,0|2,0,0]=4 3968 B11R1.182 CCNc1cc(ccc1C)O 34a_100011216113_100000210202 [1,1,0,0,0,0|2,0,0]=4 3969 B11R1.182 CCNc1cc(ccc1O)Br 34a_100000752626_100000210202 [1,1,0,0,0,0|2,0,0]=4 3970 B11R1.182 CCNc1cc(ccc1O)C 34a_100011215204_100000210202 [1,1,0,0,0,0|2,0,0]=4 3971 B11R1.182 CCNc1cc(ccc1O)Cl 34a_100000210500_100000210202 [1,1,0,0,0,0|2,0,0]=4 3972 B11R1.182 CCNc1cc(ccc1O)F 34a_100000759472_100000210202 [1,1,0,0,0,0|2,0,0]=4 3973 B11R1.182 CCOc1cc(ccc1C)Br 34a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 3974 B11R1.182 CCOc1cc(ccc1C)Br 7a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 3975 B11R1.182 CCOc1cc(ccc1C)C 34a_100000210931_100000210202 [1,1,0,0,0,0|2,0,0]=4 3976 B11R1.182 CCOc1cc(ccc1C)C 7a_100000210931_100000210202 [1,1,0,0,0,0|2,0,0]=4 3977 B11R1.182 CCOc1cc(ccc1C)Cl 34a_100000756515_100000210202 [1,1,0,0,0,0|2,0,0]=4 3978 B11R1.182 CCOc1cc(ccc1C)Cl 7a_100000756515_100000210202 [1,1,0,0,0,0|2,0,0]=4 3979 B11R1.182 CCOc1cc(ccc1C)F 34a_100000690566_100000210202 [1,1,0,0,0,0|2,0,0]=4 3980 B11R1.182 CCOc1cc(ccc1C)F 7a_100000690566_100000210202 [1,1,0,0,0,0|2,0,0]=4 3981 B11R1.182 CCOc1cc(ccc1C)I 7a_100000766334_100000210202 [1,1,0,0,0,0|2,0,0]=4 3982 B11R1.182 CCOc1cc(ccc1C)N 34a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 3983 B11R1.182 CCOc1cc(ccc1C)N 7a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 3984 B11R1.182 CCOc1cc(ccc1C)O 271570a_203496583355_100012361169 [1,1,0,0,0,0|2,0,0]=4 3985 B11R1.182 CCOc1cc(ccc1O)C 271570a_203496583355_200010713166 [1,1,0,0,0,0|2,0,0]=4 3986 B11R1.182 CCOc1cc(ccc1O)F 271570a_203496583355_200012340411 [1,1,0,0,0,0|2,0,0]=4 3987 B11R1.182 CCOc1cc(ccc1O)N 271570a_203496583355_200016990551 [1,1,0,0,0,0|2,0,0]=4 3988 B11R1.182 CCSc1cc(ccc1C)Br 62a_100000210202_100011344865 [1,1,0,0,0,0|2,0,0]=4 3989 B11R1.182 CCSc1cc(ccc1C)Br 62a_100011344865_100000210202 [1,1,0,0,0,0|2,0,0]=4 3990 B11R1.182 CCSc1cc(ccc1C)C 62a_100000210202_100000210833 [1,1,0,0,0,0|2,0,0]=4 3991 B11R1.182 CCSc1cc(ccc1C)C 62a_100000210833_100000210202 [1,1,0,0,0,0|2,0,0]=4 3992 B11R1.182 CCSc1cc(ccc1C)Cl 62a_100000210202_100011263213 [1,1,0,0,0,0|2,0,0]=4 3993 B11R1.182 CCSc1cc(ccc1C)Cl 62a_100011263213_100000210202 [1,1,0,0,0,0|2,0,0]=4 3994 B11R1.182 CCSc1cc(ccc1C)F 62a_100000210202_100011218078 [1,1,0,0,0,0|2,0,0]=4 3995 B11R1.182 CCSc1cc(ccc1C)F 62a_100011218078_100000210202 [1,1,0,0,0,0|2,0,0]=4 3996 B11R1.182 CCSc1cc(ccc1C)N 62a_100000210202_100000736455 [1,1,0,0,0,0|2,0,0]=4 3997 B11R1.182 CCSc1cc(ccc1C)N 62a_100000736455_100000210202 [1,1,0,0,0,0|2,0,0]=4 3998 B11R1.182 CCSc1cc(ccc1C)O 62a_100000210202_100011380479 [1,1,0,0,0,0|2,0,0]=4 3999 B11R1.182 CCSc1cc(ccc1C)O 62a_100011380479_100000210202 [1,1,0,0,0,0|2,0,0]=4 4000 B11R1.182 CCSc1cc(ccc1O)Br 62a_100000210202_100012355227 [1,1,0,0,0,0|2,0,0]=4 4001 B11R1.182 CCSc1cc(ccc1O)Br 62a_100012355227_100000210202 [1,1,0,0,0,0|2,0,0]=4 4002 B11R1.182 CCSc1cc(ccc1O)C 62a_100000210202_100000765521 [1,1,0,0,0,0|2,0,0]=4 4003 B11R1.182 CCSc1cc(ccc1O)C 62a_100000765521_100000210202 [1,1,0,0,0,0|2,0,0]=4 4004 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100000210202_100011356953 [1,1,0,0,0,0|2,0,0]=4 4005 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100011356953_100000210202 [1,1,0,0,0,0|2,0,0]=4 4006 B11R1.182 CCSc1cc(ccc1O)F 62a_100000210202_100000211999 [1,1,0,0,0,0|2,0,0]=4 4007 B11R1.182 CCSc1cc(ccc1O)F 62a_100000211999_100000210202 [1,1,0,0,0,0|2,0,0]=4 4008 B11R1.182 CCSc1cc(ccc1O)N 62a_100000210202_100011534360 [1,1,0,0,0,0|2,0,0]=4 4009 B11R1.182 CCSc1cc(ccc1O)N 62a_100011534360_100000210202 [1,1,0,0,0,0|2,0,0]=4 4010 B11R1.182 CCSc1cc(ccc1O)O 62a_100000210202_100009813629 [1,1,0,0,0,0|2,0,0]=4 4011 B11R1.182 CNCc1cc(ccc1C)Br 207a_100102657272_100011361606 [1,1,0,0,0,0|2,0,0]=4 4012 B11R1.182 CNCc1cc(ccc1C)Br 26a_100102657272_100000685420 [1,1,0,0,0,0|2,0,0]=4 4013 B11R1.182 CNCc1cc(ccc1C)Br 270004a_106832991635_100011361606 [1,1,0,0,0,0|2,0,0]=4 4014 B11R1.182 CNCc1cc(ccc1C)C 207a_100102657272_100000211343 [1,1,0,0,0,0|2,0,0]=4 4015 B11R1.182 CNCc1cc(ccc1C)C 2230a_106832991635_100000184699 [1,1,0,0,0,0|2,0,0]=4 4016 B11R1.182 CNCc1cc(ccc1C)C 270004a_106832991635_100000211343 [1,1,0,0,0,0|2,0,0]=4 4017 B11R1.182 CNCc1cc(ccc1C)C 34a_100000174964_200000210301 [1,1,0,0,0,0|2,0,0]=4 4018 B11R1.182 CNCc1cc(ccc1C)C 34a_100102657272_100000184699 [1,1,0,0,0,0|2,0,0]=4 4019 B11R1.182 CNCc1cc(ccc1C)C 7a_106832991635_100000184699 [1,1,0,0,0,0|2,0,0]=4 4020 B11R1.182 CNCc1cc(ccc1C)Cl 207a_100102657272_100011551331 [1,1,0,0,0,0|2,0,0]=4 4021 B11R1.182 CNCc1cc(ccc1C)Cl 2230a_106832991635_100012186985 [1,1,0,0,0,0|2,0,0]=4 4022 B11R1.182 CNCc1cc(ccc1C)Cl 270004a_106832991635_100011551331 [1,1,0,0,0,0|2,0,0]=4 4023 B11R1.182 CNCc1cc(ccc1C)Cl 34a_100000717755_200000210301 [1,1,0,0,0,0|2,0,0]=4 4024 B11R1.182 CNCc1cc(ccc1C)Cl 34a_100102657272_100012186985 [1,1,0,0,0,0|2,0,0]=4 4025 B11R1.182 CNCc1cc(ccc1C)Cl 7a_106832991635_100012186985 [1,1,0,0,0,0|2,0,0]=4 4026 B11R1.182 CNCc1cc(ccc1C)F 207a_100102657272_100000697687 [1,1,0,0,0,0|2,0,0]=4 4027 B11R1.182 CNCc1cc(ccc1C)F 2230a_106832991635_100000709795 [1,1,0,0,0,0|2,0,0]=4 4028 B11R1.182 CNCc1cc(ccc1C)F 270004a_106832991635_100000697687 [1,1,0,0,0,0|2,0,0]=4 4029 B11R1.182 CNCc1cc(ccc1C)F 34a_100011217291_200000210301 [1,1,0,0,0,0|2,0,0]=4 4030 B11R1.182 CNCc1cc(ccc1C)F 34a_100102657272_100000709795 [1,1,0,0,0,0|2,0,0]=4 4031 B11R1.182 CNCc1cc(ccc1C)F 7a_106832991635_100000709795 [1,1,0,0,0,0|2,0,0]=4 4032 B11R1.182 CNCc1cc(ccc1C)O 271570a_203496583355_106744473289 [1,1,0,0,0,0|2,0,0]=4 4033 B11R1.182 CNCc1cc(ccc1C)O 34a_200009844824_200000210301 [1,1,0,0,0,0|2,0,0]=4 4034 B11R1.182 CNCc1cc(ccc1O)Br 34a_100000730032_200000210301 [1,1,0,0,0,0|2,0,0]=4 4035 B11R1.182 CNCc1cc(ccc1O)Cl 34a_100000238540_200000210301 [1,1,0,0,0,0|2,0,0]=4 4036 B11R1.182 CNCc1cc(ccc1O)F 34a_100102657272_100010161318 [1,1,0,0,0,0|2,0,0]=4 4037 B11R1.182 CNCc1cc(ccc1O)F 7a_106832991635_100010161318 [1,1,0,0,0,0|2,0,0]=4 4038 B11R1.182 CNCc1cc(ccc1O)O 271570a_203496583355_100011602694 [1,1,0,0,0,0|2,0,0]=4 4039 B11R1.182 COCc1cc(ccc1C)Br 34a_100000700630_200000210301 [1,1,0,0,0,0|2,0,0]=4 4040 B11R1.182 COCc1cc(ccc1C)Br 7a_100000700630_200000210301 [1,1,0,0,0,0|2,0,0]=4 4041 B11R1.182 COCc1cc(ccc1C)C 34a_100138415774_100000184699 [1,1,0,0,0,0|2,0,0]=4 4042 B11R1.182 COCc1cc(ccc1C)C 34a_200011215349_200000210301 [1,1,0,0,0,0|2,0,0]=4 4043 B11R1.182 COCc1cc(ccc1C)C 7a_200011215349_200000210301 [1,1,0,0,0,0|2,0,0]=4 4044 B11R1.182 COCc1cc(ccc1C)Cl 34a_100012002407_200000210301 [1,1,0,0,0,0|2,0,0]=4 4045 B11R1.182 COCc1cc(ccc1C)Cl 34a_100138415774_100012186985 [1,1,0,0,0,0|2,0,0]=4 4046 B11R1.182 COCc1cc(ccc1C)Cl 7a_100012002407_200000210301 [1,1,0,0,0,0|2,0,0]=4 4047 B11R1.182 COCc1cc(ccc1C)F 34a_100011219218_200000210301 [1,1,0,0,0,0|2,0,0]=4 4048 B11R1.182 COCc1cc(ccc1C)F 34a_100138415774_100000709795 [1,1,0,0,0,0|2,0,0]=4 4049 B11R1.182 COCc1cc(ccc1C)F 7a_100011219218_200000210301 [1,1,0,0,0,0|2,0,0]=4 4050 B11R1.182 COCc1cc(ccc1C)I 34a_100010150140_200000210301 [1,1,0,0,0,0|2,0,0]=4 4051 B11R1.182 COCc1cc(ccc1C)I 7a_100010150140_200000210301 [1,1,0,0,0,0|2,0,0]=4 4052 B11R1.182 COCc1cc(ccc1O)F 34a_100138415774_100010161318 [1,1,0,0,0,0|2,0,0]=4 4053 B11R1.182 CSCc1cc(ccc1C)C 62a_100000184699_200000210301 [1,1,0,0,0,0|2,0,0]=4 4054 B11R1.182 CSCc1cc(ccc1C)C 62a_200000210301_100000184699 [1,1,0,0,0,0|2,0,0]=4 4055 B11R1.182 CSCc1cc(ccc1C)Cl 62a_100012186985_200000210301 [1,1,0,0,0,0|2,0,0]=4 4056 B11R1.182 CSCc1cc(ccc1C)Cl 62a_200000210301_100012186985 [1,1,0,0,0,0|2,0,0]=4 4057 B11R1.182 CSCc1cc(ccc1C)F 62a_100000709795_200000210301 [1,1,0,0,0,0|2,0,0]=4 4058 B11R1.182 CSCc1cc(ccc1C)F 62a_200000210301_100000709795 [1,1,0,0,0,0|2,0,0]=4 4059 B11R1.182 CSCc1cc(ccc1O)F 62a_100010161318_200000210301 [1,1,0,0,0,0|2,0,0]=4 4060 B11R1.182 CSCc1cc(ccc1O)F 62a_200000210301_100010161318 [1,1,0,0,0,0|2,0,0]=4 4061 B11R1.182 Cc1ccc(c(c1)CC#N)O 271570a_203496583355_100010147026 [1,1,0,0,0,0|0,0,2]=4 4062 B11R1.182 Cc1ccc(c(c1)CN[13CH3])C 34a_100000174964_200025704644 [1,1,0,0,0,0|2,0,0]=4 4063 B11R1.182 Cc1ccc(c(c1)CO[13CH3])C 34a_200011215349_200025704644 [1,1,0,0,0,0|2,0,0]=4 4064 B11R1.182 Cc1ccc(c(c1)CO[13CH3])C 7a_200011215349_200025704644 [1,1,0,0,0,0|2,0,0]=4 4065 B11R1.182 Cc1ccc(c(c1)CS[13CH3])C 62a_100000184699_200025704644 [1,1,0,0,0,0|2,0,0]=4 4066 B11R1.182 Cc1ccc(c(c1)CS[13CH3])C 62a_200025704644_100000184699 [1,1,0,0,0,0|2,0,0]=4 4067 B11R1.182 Cc1ccc(c(c1)NCF)C 34a_100000185781_100015361967 [1,1,0,0,0,0|2,0,0]=4 4068 B11R1.182 Cc1ccc(c(c1)NCF)C 7a_100000185781_100015361967 [1,1,0,0,0,0|2,0,0]=4 4069 B11R1.182 Cc1ccc(c(c1)NCF)O 34a_100011215204_100015361967 [1,1,0,0,0,0|2,0,0]=4 4070 B11R1.182 Cc1ccc(c(c1)OCF)C 34a_100000210931_100015361967 [1,1,0,0,0,0|2,0,0]=4 4071 B11R1.182 Cc1ccc(c(c1)OCF)C 7a_100000210931_100015361967 [1,1,0,0,0,0|2,0,0]=4 4072 B11R1.182 Cc1ccc(c(c1)SCF)C 62a_100000210833_100015361967 [1,1,0,0,0,0|2,0,0]=4 4073 B11R1.182 Cc1ccc(c(c1)SCF)C 62a_100015361967_100000210833 [1,1,0,0,0,0|2,0,0]=4 4074 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100000765521_100015361967 [1,1,0,0,0,0|2,0,0]=4 4075 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100015361967_100000765521 [1,1,0,0,0,0|2,0,0]=4 4076 B11R1.182 Cc1ccc(cc1CC#N)O 271570a_203496583355_100010147029 [1,1,0,0,0,0|0,0,2]=4 4077 B11R1.182 Cc1ccc(cc1CN[13CH3])Cl 34a_100000717755_200025704644 [1,1,0,0,0,0|2,0,0]=4 4078 B11R1.182 Cc1ccc(cc1CN[13CH3])F 34a_100011217291_200025704644 [1,1,0,0,0,0|2,0,0]=4 4079 B11R1.182 Cc1ccc(cc1CN[13CH3])O 34a_200009844824_200025704644 [1,1,0,0,0,0|2,0,0]=4 4080 B11R1.182 Cc1ccc(cc1CO[13CH3])Br 34a_100000700630_200025704644 [1,1,0,0,0,0|2,0,0]=4 4081 B11R1.182 Cc1ccc(cc1CO[13CH3])Br 7a_100000700630_200025704644 [1,1,0,0,0,0|2,0,0]=4 4082 B11R1.182 Cc1ccc(cc1CO[13CH3])Cl 34a_100012002407_200025704644 [1,1,0,0,0,0|2,0,0]=4 4083 B11R1.182 Cc1ccc(cc1CO[13CH3])Cl 7a_100012002407_200025704644 [1,1,0,0,0,0|2,0,0]=4 4084 B11R1.182 Cc1ccc(cc1CO[13CH3])F 34a_100011219218_200025704644 [1,1,0,0,0,0|2,0,0]=4 4085 B11R1.182 Cc1ccc(cc1CO[13CH3])F 7a_100011219218_200025704644 [1,1,0,0,0,0|2,0,0]=4 4086 B11R1.182 Cc1ccc(cc1CO[13CH3])I 34a_100010150140_200025704644 [1,1,0,0,0,0|2,0,0]=4 4087 B11R1.182 Cc1ccc(cc1CO[13CH3])I 7a_100010150140_200025704644 [1,1,0,0,0,0|2,0,0]=4 4088 B11R1.182 Cc1ccc(cc1CS[13CH3])Cl 62a_100012186985_200025704644 [1,1,0,0,0,0|2,0,0]=4 4089 B11R1.182 Cc1ccc(cc1CS[13CH3])Cl 62a_200025704644_100012186985 [1,1,0,0,0,0|2,0,0]=4 4090 B11R1.182 Cc1ccc(cc1CS[13CH3])F 62a_100000709795_200025704644 [1,1,0,0,0,0|2,0,0]=4 4091 B11R1.182 Cc1ccc(cc1CS[13CH3])F 62a_200025704644_100000709795 [1,1,0,0,0,0|2,0,0]=4 4092 B11R1.182 Cc1ccc(cc1NCF)Br 34a_100000741167_100015361967 [1,1,0,0,0,0|2,0,0]=4 4093 B11R1.182 Cc1ccc(cc1NCF)Br 7a_100000741167_100015361967 [1,1,0,0,0,0|2,0,0]=4 4094 B11R1.182 Cc1ccc(cc1NCF)Cl 34a_100000211374_100015361967 [1,1,0,0,0,0|2,0,0]=4 4095 B11R1.182 Cc1ccc(cc1NCF)Cl 7a_100000211374_100015361967 [1,1,0,0,0,0|2,0,0]=4 4096 B11R1.182 Cc1ccc(cc1NCF)F 34a_100000211107_100015361967 [1,1,0,0,0,0|2,0,0]=4 4097 B11R1.182 Cc1ccc(cc1NCF)F 7a_100000211107_100015361967 [1,1,0,0,0,0|2,0,0]=4 4098 B11R1.182 Cc1ccc(cc1NCF)I 7a_100000761890_100015361967 [1,1,0,0,0,0|2,0,0]=4 4099 B11R1.182 Cc1ccc(cc1NCF)O 34a_100011216113_100015361967 [1,1,0,0,0,0|2,0,0]=4 4100 B11R1.182 Cc1ccc(cc1OCF)Br 34a_100000685420_100015361967 [1,1,0,0,0,0|2,0,0]=4 4101 B11R1.182 Cc1ccc(cc1OCF)Br 7a_100000685420_100015361967 [1,1,0,0,0,0|2,0,0]=4 4102 B11R1.182 Cc1ccc(cc1OCF)Cl 34a_100000756515_100015361967 [1,1,0,0,0,0|2,0,0]=4 4103 B11R1.182 Cc1ccc(cc1OCF)Cl 7a_100000756515_100015361967 [1,1,0,0,0,0|2,0,0]=4 4104 B11R1.182 Cc1ccc(cc1OCF)F 34a_100000690566_100015361967 [1,1,0,0,0,0|2,0,0]=4 4105 B11R1.182 Cc1ccc(cc1OCF)F 7a_100000690566_100015361967 [1,1,0,0,0,0|2,0,0]=4 4106 B11R1.182 Cc1ccc(cc1OCF)I 7a_100000766334_100015361967 [1,1,0,0,0,0|2,0,0]=4 4107 B11R1.182 Cc1ccc(cc1OCF)N 34a_100000759471_100015361967 [1,1,0,0,0,0|2,0,0]=4 4108 B11R1.182 Cc1ccc(cc1OCF)N 7a_100000759471_100015361967 [1,1,0,0,0,0|2,0,0]=4 4109 B11R1.182 Cc1ccc(cc1SCF)Br 62a_100011344865_100015361967 [1,1,0,0,0,0|2,0,0]=4 4110 B11R1.182 Cc1ccc(cc1SCF)Br 62a_100015361967_100011344865 [1,1,0,0,0,0|2,0,0]=4 4111 B11R1.182 Cc1ccc(cc1SCF)Cl 62a_100011263213_100015361967 [1,1,0,0,0,0|2,0,0]=4 4112 B11R1.182 Cc1ccc(cc1SCF)Cl 62a_100015361967_100011263213 [1,1,0,0,0,0|2,0,0]=4 4113 B11R1.182 Cc1ccc(cc1SCF)F 62a_100011218078_100015361967 [1,1,0,0,0,0|2,0,0]=4 4114 B11R1.182 Cc1ccc(cc1SCF)F 62a_100015361967_100011218078 [1,1,0,0,0,0|2,0,0]=4 4115 B11R1.182 Cc1ccc(cc1SCF)N 62a_100000736455_100015361967 [1,1,0,0,0,0|2,0,0]=4 4116 B11R1.182 Cc1ccc(cc1SCF)N 62a_100015361967_100000736455 [1,1,0,0,0,0|2,0,0]=4 4117 B11R1.182 Cc1ccc(cc1SCF)O 62a_100011380479_100015361967 [1,1,0,0,0,0|2,0,0]=4 4118 B11R1.182 Cc1ccc(cc1SCF)O 62a_100015361967_100011380479 [1,1,0,0,0,0|2,0,0]=4 4119 B11R1.182 N#CCc1cc(ccc1O)F 271570a_203496583355_100011206898 [1,1,0,0,0,0|0,0,2]=4 4120 B11R1.182 Nc1ccc(c(c1)SCF)O 62a_100011534360_100015361967 [1,1,0,0,0,0|2,0,0]=4 4121 B11R1.182 Nc1ccc(c(c1)SCF)O 62a_100015361967_100011534360 [1,1,0,0,0,0|2,0,0]=4 4122 B11R1.182 Oc1ccc(c(c1)SCF)O 62a_100015361967_100009813629 [1,1,0,0,0,0|2,0,0]=4 4123 B11R1.182 Oc1ccc(cc1NCF)Br 34a_100000752626_100015361967 [1,1,0,0,0,0|2,0,0]=4 4124 B11R1.182 Oc1ccc(cc1NCF)Cl 34a_100000210500_100015361967 [1,1,0,0,0,0|2,0,0]=4 4125 B11R1.182 Oc1ccc(cc1NCF)F 34a_100000759472_100015361967 [1,1,0,0,0,0|2,0,0]=4 4126 B11R1.182 Oc1ccc(cc1SCF)Br 62a_100012355227_100015361967 [1,1,0,0,0,0|2,0,0]=4 4127 B11R1.182 Oc1ccc(cc1SCF)Br 62a_100015361967_100012355227 [1,1,0,0,0,0|2,0,0]=4 4128 B11R1.182 Oc1ccc(cc1SCF)Cl 62a_100011356953_100015361967 [1,1,0,0,0,0|2,0,0]=4 4129 B11R1.182 Oc1ccc(cc1SCF)Cl 62a_100015361967_100011356953 [1,1,0,0,0,0|2,0,0]=4 4130 B11R1.182 Oc1ccc(cc1SCF)F 62a_100000211999_100015361967 [1,1,0,0,0,0|2,0,0]=4 4131 B11R1.182 Oc1ccc(cc1SCF)F 62a_100015361967_100000211999 [1,1,0,0,0,0|2,0,0]=4 4132 B11R1.182 [13CH3]NCc1cc(ccc1O)Br 34a_100000730032_200025704644 [1,1,0,0,0,0|2,0,0]=4 4133 B11R1.182 [13CH3]NCc1cc(ccc1O)Cl 34a_100000238540_200025704644 [1,1,0,0,0,0|2,0,0]=4 4134 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_100010161318_200025704644 [1,1,0,0,0,0|2,0,0]=4 4135 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_200025704644_100010161318 [1,1,0,0,0,0|2,0,0]=4 4136 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [1,1,0,0,0,0|0,0,2]=4 4137 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|1,0,1]=4 4138 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|1,0,1]=4 4139 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 4140 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [1,1,0,0,0,0|2,0,0]=4 4141 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 4142 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [1,1,0,0,0,0|2,0,0]=4 4143 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 4144 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [1,1,0,0,0,0|2,0,0]=4 4145 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [1,1,0,0,0,0|2,0,0]=4 4146 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [1,1,0,0,0,0|2,0,0]=4 4147 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 4148 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 4149 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 4150 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [1,1,0,0,0,0|2,0,0]=4 4151 B11R1.222 CN(CF)c1ccccc1O 269982a_100000033821_100015361967 [1,1,0,0,0,0|2,0,0]=4 4152 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [1,1,0,0,0,0|2,0,0]=4 4153 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [1,1,0,0,0,0|2,0,0]=4 4154 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [1,1,0,0,0,0|2,0,0]=4 4155 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [1,1,0,0,0,0|2,0,0]=4 4156 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [1,1,0,0,0,0|2,0,0]=4 4157 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [1,1,0,0,0,0|2,0,0]=4 4158 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [1,1,0,0,0,0|2,0,0]=4 4159 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [1,1,0,0,0,0|2,0,0]=4 4160 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [1,1,0,0,0,0|1,0,1]=4 4161 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [1,1,0,0,0,0|2,0,0]=4 4162 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [1,1,0,0,0,0|2,0,0]=4 4163 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [1,1,0,0,0,0|2,0,0]=4 4164 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [1,1,0,0,0,0|2,0,0]=4 4165 B11R1.222 Cc1ccccc1N(C)CF 269982a_100000219699_100015361967 [1,1,0,0,0,0|2,0,0]=4 4166 B11R1.222 Cc1ccccc1N(C)CF 34a_100000219699_100015361967 [1,1,0,0,0,0|2,0,0]=4 4167 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,1,0,0,0,0|0,0,0]=2 4168 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [1,1,0,0,0,0|1,0,1]=4 4169 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [1,1,0,0,0,0|1,0,0]=3 4170 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [1,1,0,0,0,0|1,0,1]=4 4171 B11R1.605 CCNc1c(cccc1Br)C 34a_100011834072_100000210202 [1,1,0,0,0,0|2,0,0]=4 4172 B11R1.605 CCNc1c(cccc1Br)O 34a_100011934926_100000210202 [1,1,0,0,0,0|2,0,0]=4 4173 B11R1.605 CCNc1c(cccc1C)C 34a_100000185769_100000210202 [1,1,0,0,0,0|2,0,0]=4 4174 B11R1.605 CCNc1c(cccc1Cl)C 34a_100000756524_100000210202 [1,1,0,0,0,0|2,0,0]=4 4175 B11R1.605 CCNc1c(cccc1Cl)O 34a_100012022510_100000210202 [1,1,0,0,0,0|2,0,0]=4 4176 B11R1.605 CCNc1c(cccc1F)C 34a_100000766463_100000210202 [1,1,0,0,0,0|2,0,0]=4 4177 B11R1.605 CCNc1c(cccc1F)O 34a_100020591140_100000210202 [1,1,0,0,0,0|2,0,0]=4 4178 B11R1.605 CCNc1c(cccc1O)C 34a_100000743429_100000210202 [1,1,0,0,0,0|2,0,0]=4 4179 B11R1.605 CCOc1c(cccc1Br)C 34a_100009817157_100000210202 [1,1,0,0,0,0|2,0,0]=4 4180 B11R1.605 CCOc1c(cccc1Br)C 7a_100009817157_100000210202 [1,1,0,0,0,0|2,0,0]=4 4181 B11R1.605 CCOc1c(cccc1C)C 34a_100000210341_100000210202 [1,1,0,0,0,0|2,0,0]=4 4182 B11R1.605 CCOc1c(cccc1C)C 7a_100000210341_100000210202 [1,1,0,0,0,0|2,0,0]=4 4183 B11R1.605 CCOc1c(cccc1Cl)C 34a_100000033731_100000210202 [1,1,0,0,0,0|2,0,0]=4 4184 B11R1.605 CCOc1c(cccc1Cl)C 7a_100000033731_100000210202 [1,1,0,0,0,0|2,0,0]=4 4185 B11R1.605 CCOc1c(cccc1F)C 34a_100011659162_100000210202 [1,1,0,0,0,0|2,0,0]=4 4186 B11R1.605 CCOc1c(cccc1F)C 7a_100011659162_100000210202 [1,1,0,0,0,0|2,0,0]=4 4187 B11R1.605 CCOc1c(cccc1F)O 271570a_203496583355_100010232518 [1,1,0,0,0,0|2,0,0]=4 4188 B11R1.605 CCOc1c(cccc1N)C 34a_100000756359_100000210202 [1,1,0,0,0,0|2,0,0]=4 4189 B11R1.605 CCOc1c(cccc1N)C 7a_100000756359_100000210202 [1,1,0,0,0,0|2,0,0]=4 4190 B11R1.605 CCSc1c(cccc1Br)C 62a_100000210202_100010141302 [1,1,0,0,0,0|2,0,0]=4 4191 B11R1.605 CCSc1c(cccc1Br)C 62a_100010141302_100000210202 [1,1,0,0,0,0|2,0,0]=4 4192 B11R1.605 CCSc1c(cccc1Br)O 62a_100000210202_100010187912 [1,1,0,0,0,0|2,0,0]=4 4193 B11R1.605 CCSc1c(cccc1Br)O 62a_100010187912_100000210202 [1,1,0,0,0,0|2,0,0]=4 4194 B11R1.605 CCSc1c(cccc1C)C 62a_100000033847_100000210202 [1,1,0,0,0,0|2,0,0]=4 4195 B11R1.605 CCSc1c(cccc1C)C 62a_100000210202_100000033847 [1,1,0,0,0,0|2,0,0]=4 4196 B11R1.605 CCSc1c(cccc1Cl)C 62a_100000043165_100000210202 [1,1,0,0,0,0|2,0,0]=4 4197 B11R1.605 CCSc1c(cccc1Cl)C 62a_100000210202_100000043165 [1,1,0,0,0,0|2,0,0]=4 4198 B11R1.605 CCSc1c(cccc1Cl)O 62a_100000210202_100000050174 [1,1,0,0,0,0|2,0,0]=4 4199 B11R1.605 CCSc1c(cccc1F)C 62a_100000210202_100011218421 [1,1,0,0,0,0|2,0,0]=4 4200 B11R1.605 CCSc1c(cccc1F)C 62a_100011218421_100000210202 [1,1,0,0,0,0|2,0,0]=4 4201 B11R1.605 CCSc1c(cccc1F)O 62a_100000210202_100009820682 [1,1,0,0,0,0|2,0,0]=4 4202 B11R1.605 CCSc1c(cccc1F)O 62a_100009820682_100000210202 [1,1,0,0,0,0|2,0,0]=4 4203 B11R1.605 CCSc1c(cccc1N)C 62a_100000210202_100000684715 [1,1,0,0,0,0|2,0,0]=4 4204 B11R1.605 CCSc1c(cccc1N)C 62a_100000684715_100000210202 [1,1,0,0,0,0|2,0,0]=4 4205 B11R1.605 CCSc1c(cccc1O)C 62a_100000210202_100000686692 [1,1,0,0,0,0|2,0,0]=4 4206 B11R1.605 CCSc1c(cccc1O)C 62a_100000686692_100000210202 [1,1,0,0,0,0|2,0,0]=4 4207 B11R1.605 CCSc1c(cccc1O)N 62a_100000210202_100012183704 [1,1,0,0,0,0|2,0,0]=4 4208 B11R1.605 CCSc1c(cccc1O)N 62a_100012183704_100000210202 [1,1,0,0,0,0|2,0,0]=4 4209 B11R1.605 CCSc1c(cccc1O)O 62a_100000210202_100010205330 [1,1,0,0,0,0|2,0,0]=4 4210 B11R1.605 CNCc1c(cccc1Br)C 207a_100102657272_100009881667 [1,1,0,0,0,0|2,0,0]=4 4211 B11R1.605 CNCc1c(cccc1Br)C 2230a_106832991635_100010146847 [1,1,0,0,0,0|2,0,0]=4 4212 B11R1.605 CNCc1c(cccc1Br)C 26a_100102657272_100009817157 [1,1,0,0,0,0|2,0,0]=4 4213 B11R1.605 CNCc1c(cccc1Br)C 270004a_106832991635_100009881667 [1,1,0,0,0,0|2,0,0]=4 4214 B11R1.605 CNCc1c(cccc1Br)C 34a_100102657272_100010146847 [1,1,0,0,0,0|2,0,0]=4 4215 B11R1.605 CNCc1c(cccc1Br)C 7a_106832991635_100010146847 [1,1,0,0,0,0|2,0,0]=4 4216 B11R1.605 CNCc1c(cccc1C)C 207a_100102657272_100000758299 [1,1,0,0,0,0|2,0,0]=4 4217 B11R1.605 CNCc1c(cccc1C)C 2230a_106832991635_100000758300 [1,1,0,0,0,0|2,0,0]=4 4218 B11R1.605 CNCc1c(cccc1C)C 270004a_106832991635_100000758299 [1,1,0,0,0,0|2,0,0]=4 4219 B11R1.605 CNCc1c(cccc1C)C 34a_100000689800_200000210301 [1,1,0,0,0,0|2,0,0]=4 4220 B11R1.605 CNCc1c(cccc1C)C 34a_100102657272_100000758300 [1,1,0,0,0,0|2,0,0]=4 4221 B11R1.605 CNCc1c(cccc1C)C 7a_106832991635_100000758300 [1,1,0,0,0,0|2,0,0]=4 4222 B11R1.605 CNCc1c(cccc1Cl)C 207a_100102657272_100000041122 [1,1,0,0,0,0|2,0,0]=4 4223 B11R1.605 CNCc1c(cccc1Cl)C 270004a_106832991635_100000041122 [1,1,0,0,0,0|2,0,0]=4 4224 B11R1.605 CNCc1c(cccc1F)C 207a_100102657272_100000069827 [1,1,0,0,0,0|2,0,0]=4 4225 B11R1.605 CNCc1c(cccc1F)C 2230a_106832991635_100009814554 [1,1,0,0,0,0|2,0,0]=4 4226 B11R1.605 CNCc1c(cccc1F)C 270004a_106832991635_100000069827 [1,1,0,0,0,0|2,0,0]=4 4227 B11R1.605 CNCc1c(cccc1F)C 34a_100000762012_200000210301 [1,1,0,0,0,0|2,0,0]=4 4228 B11R1.605 CNCc1c(cccc1F)C 34a_100102657272_100009814554 [1,1,0,0,0,0|2,0,0]=4 4229 B11R1.605 CNCc1c(cccc1F)C 7a_106832991635_100009814554 [1,1,0,0,0,0|2,0,0]=4 4230 B11R1.605 CNCc1c(cccc1F)O 271570a_203496583355_106744473292 [1,1,0,0,0,0|2,0,0]=4 4231 B11R1.605 CNCc1c(cccc1I)C 2230a_106832991635_100010150146 [1,1,0,0,0,0|2,0,0]=4 4232 B11R1.605 CNCc1c(cccc1I)C 34a_100102657272_100010150146 [1,1,0,0,0,0|2,0,0]=4 4233 B11R1.605 CNCc1c(cccc1I)C 7a_106832991635_100010150146 [1,1,0,0,0,0|2,0,0]=4 4234 B11R1.605 COCc1c(cccc1Br)C 34a_100138415774_100010146847 [1,1,0,0,0,0|2,0,0]=4 4235 B11R1.605 COCc1c(cccc1C)C 34a_100011933981_200000210301 [1,1,0,0,0,0|2,0,0]=4 4236 B11R1.605 COCc1c(cccc1C)C 34a_100138415774_100000758300 [1,1,0,0,0,0|2,0,0]=4 4237 B11R1.605 COCc1c(cccc1C)C 7a_100011933981_200000210301 [1,1,0,0,0,0|2,0,0]=4 4238 B11R1.605 COCc1c(cccc1Cl)C 34a_100000082531_200000210301 [1,1,0,0,0,0|2,0,0]=4 4239 B11R1.605 COCc1c(cccc1Cl)C 7a_100000082531_200000210301 [1,1,0,0,0,0|2,0,0]=4 4240 B11R1.605 COCc1c(cccc1F)C 34a_100000057874_200000210301 [1,1,0,0,0,0|2,0,0]=4 4241 B11R1.605 COCc1c(cccc1F)C 34a_100138415774_100009814554 [1,1,0,0,0,0|2,0,0]=4 4242 B11R1.605 COCc1c(cccc1F)C 7a_100000057874_200000210301 [1,1,0,0,0,0|2,0,0]=4 4243 B11R1.605 COCc1c(cccc1I)C 34a_100138415774_100010150146 [1,1,0,0,0,0|2,0,0]=4 4244 B11R1.605 CSCc1c(cccc1Br)C 62a_100010146847_200000210301 [1,1,0,0,0,0|2,0,0]=4 4245 B11R1.605 CSCc1c(cccc1Br)C 62a_200000210301_100010146847 [1,1,0,0,0,0|2,0,0]=4 4246 B11R1.605 CSCc1c(cccc1C)C 62a_100000758300_200000210301 [1,1,0,0,0,0|2,0,0]=4 4247 B11R1.605 CSCc1c(cccc1C)C 62a_200000210301_100000758300 [1,1,0,0,0,0|2,0,0]=4 4248 B11R1.605 CSCc1c(cccc1F)C 62a_100009814554_200000210301 [1,1,0,0,0,0|2,0,0]=4 4249 B11R1.605 CSCc1c(cccc1F)C 62a_200000210301_100009814554 [1,1,0,0,0,0|2,0,0]=4 4250 B11R1.605 CSCc1c(cccc1I)C 62a_100010150146_200000210301 [1,1,0,0,0,0|2,0,0]=4 4251 B11R1.605 CSCc1c(cccc1I)C 62a_200000210301_100010150146 [1,1,0,0,0,0|2,0,0]=4 4252 B11R1.605 Cc1cccc(c1CC#N)O 271570a_203496583355_100010147027 [1,1,0,0,0,0|0,0,2]=4 4253 B11R1.605 Cc1cccc(c1CN[13CH3])C 34a_100000689800_200025704644 [1,1,0,0,0,0|2,0,0]=4 4254 B11R1.605 Cc1cccc(c1CN[13CH3])F 34a_100000762012_200025704644 [1,1,0,0,0,0|2,0,0]=4 4255 B11R1.605 Cc1cccc(c1CO[13CH3])C 34a_100011933981_200025704644 [1,1,0,0,0,0|2,0,0]=4 4256 B11R1.605 Cc1cccc(c1CO[13CH3])C 7a_100011933981_200025704644 [1,1,0,0,0,0|2,0,0]=4 4257 B11R1.605 Cc1cccc(c1CO[13CH3])Cl 34a_100000082531_200025704644 [1,1,0,0,0,0|2,0,0]=4 4258 B11R1.605 Cc1cccc(c1CO[13CH3])Cl 7a_100000082531_200025704644 [1,1,0,0,0,0|2,0,0]=4 4259 B11R1.605 Cc1cccc(c1CO[13CH3])F 34a_100000057874_200025704644 [1,1,0,0,0,0|2,0,0]=4 4260 B11R1.605 Cc1cccc(c1CO[13CH3])F 7a_100000057874_200025704644 [1,1,0,0,0,0|2,0,0]=4 4261 B11R1.605 Cc1cccc(c1CS[13CH3])Br 62a_100010146847_200025704644 [1,1,0,0,0,0|2,0,0]=4 4262 B11R1.605 Cc1cccc(c1CS[13CH3])Br 62a_200025704644_100010146847 [1,1,0,0,0,0|2,0,0]=4 4263 B11R1.605 Cc1cccc(c1CS[13CH3])C 62a_100000758300_200025704644 [1,1,0,0,0,0|2,0,0]=4 4264 B11R1.605 Cc1cccc(c1CS[13CH3])C 62a_200025704644_100000758300 [1,1,0,0,0,0|2,0,0]=4 4265 B11R1.605 Cc1cccc(c1CS[13CH3])F 62a_100009814554_200025704644 [1,1,0,0,0,0|2,0,0]=4 4266 B11R1.605 Cc1cccc(c1CS[13CH3])F 62a_200025704644_100009814554 [1,1,0,0,0,0|2,0,0]=4 4267 B11R1.605 Cc1cccc(c1CS[13CH3])I 62a_100010150146_200025704644 [1,1,0,0,0,0|2,0,0]=4 4268 B11R1.605 Cc1cccc(c1CS[13CH3])I 62a_200025704644_100010150146 [1,1,0,0,0,0|2,0,0]=4 4269 B11R1.605 Cc1cccc(c1NCF)Br 34a_100011834072_100015361967 [1,1,0,0,0,0|2,0,0]=4 4270 B11R1.605 Cc1cccc(c1NCF)C 34a_100000185769_100015361967 [1,1,0,0,0,0|2,0,0]=4 4271 B11R1.605 Cc1cccc(c1NCF)Cl 34a_100000756524_100015361967 [1,1,0,0,0,0|2,0,0]=4 4272 B11R1.605 Cc1cccc(c1NCF)F 34a_100000766463_100015361967 [1,1,0,0,0,0|2,0,0]=4 4273 B11R1.605 Cc1cccc(c1NCF)O 34a_100000743429_100015361967 [1,1,0,0,0,0|2,0,0]=4 4274 B11R1.605 Cc1cccc(c1OCF)Br 34a_100009817157_100015361967 [1,1,0,0,0,0|2,0,0]=4 4275 B11R1.605 Cc1cccc(c1OCF)Br 7a_100009817157_100015361967 [1,1,0,0,0,0|2,0,0]=4 4276 B11R1.605 Cc1cccc(c1OCF)C 34a_100000210341_100015361967 [1,1,0,0,0,0|2,0,0]=4 4277 B11R1.605 Cc1cccc(c1OCF)C 7a_100000210341_100015361967 [1,1,0,0,0,0|2,0,0]=4 4278 B11R1.605 Cc1cccc(c1OCF)Cl 34a_100000033731_100015361967 [1,1,0,0,0,0|2,0,0]=4 4279 B11R1.605 Cc1cccc(c1OCF)Cl 7a_100000033731_100015361967 [1,1,0,0,0,0|2,0,0]=4 4280 B11R1.605 Cc1cccc(c1OCF)F 34a_100011659162_100015361967 [1,1,0,0,0,0|2,0,0]=4 4281 B11R1.605 Cc1cccc(c1OCF)F 7a_100011659162_100015361967 [1,1,0,0,0,0|2,0,0]=4 4282 B11R1.605 Cc1cccc(c1OCF)N 34a_100000756359_100015361967 [1,1,0,0,0,0|2,0,0]=4 4283 B11R1.605 Cc1cccc(c1OCF)N 7a_100000756359_100015361967 [1,1,0,0,0,0|2,0,0]=4 4284 B11R1.605 Cc1cccc(c1SCF)Br 62a_100010141302_100015361967 [1,1,0,0,0,0|2,0,0]=4 4285 B11R1.605 Cc1cccc(c1SCF)Br 62a_100015361967_100010141302 [1,1,0,0,0,0|2,0,0]=4 4286 B11R1.605 Cc1cccc(c1SCF)C 62a_100000033847_100015361967 [1,1,0,0,0,0|2,0,0]=4 4287 B11R1.605 Cc1cccc(c1SCF)C 62a_100015361967_100000033847 [1,1,0,0,0,0|2,0,0]=4 4288 B11R1.605 Cc1cccc(c1SCF)Cl 62a_100000043165_100015361967 [1,1,0,0,0,0|2,0,0]=4 4289 B11R1.605 Cc1cccc(c1SCF)Cl 62a_100015361967_100000043165 [1,1,0,0,0,0|2,0,0]=4 4290 B11R1.605 Cc1cccc(c1SCF)F 62a_100011218421_100015361967 [1,1,0,0,0,0|2,0,0]=4 4291 B11R1.605 Cc1cccc(c1SCF)F 62a_100015361967_100011218421 [1,1,0,0,0,0|2,0,0]=4 4292 B11R1.605 Cc1cccc(c1SCF)N 62a_100000684715_100015361967 [1,1,0,0,0,0|2,0,0]=4 4293 B11R1.605 Cc1cccc(c1SCF)N 62a_100015361967_100000684715 [1,1,0,0,0,0|2,0,0]=4 4294 B11R1.605 Cc1cccc(c1SCF)O 62a_100000686692_100015361967 [1,1,0,0,0,0|2,0,0]=4 4295 B11R1.605 Cc1cccc(c1SCF)O 62a_100015361967_100000686692 [1,1,0,0,0,0|2,0,0]=4 4296 B11R1.605 N#CCc1c(cccc1F)O 271570a_203496583355_100009817144 [1,1,0,0,0,0|0,0,2]=4 4297 B11R1.605 Nc1cccc(c1SCF)O 62a_100012183704_100015361967 [1,1,0,0,0,0|2,0,0]=4 4298 B11R1.605 Nc1cccc(c1SCF)O 62a_100015361967_100012183704 [1,1,0,0,0,0|2,0,0]=4 4299 B11R1.605 Oc1cccc(c1NCF)Br 34a_100011934926_100015361967 [1,1,0,0,0,0|2,0,0]=4 4300 B11R1.605 Oc1cccc(c1NCF)Cl 34a_100012022510_100015361967 [1,1,0,0,0,0|2,0,0]=4 4301 B11R1.605 Oc1cccc(c1NCF)F 34a_100020591140_100015361967 [1,1,0,0,0,0|2,0,0]=4 4302 B11R1.605 Oc1cccc(c1SCF)Br 62a_100010187912_100015361967 [1,1,0,0,0,0|2,0,0]=4 4303 B11R1.605 Oc1cccc(c1SCF)Br 62a_100015361967_100010187912 [1,1,0,0,0,0|2,0,0]=4 4304 B11R1.605 Oc1cccc(c1SCF)Cl 62a_100015361967_100000050174 [1,1,0,0,0,0|2,0,0]=4 4305 B11R1.605 Oc1cccc(c1SCF)F 62a_100009820682_100015361967 [1,1,0,0,0,0|2,0,0]=4 4306 B11R1.605 Oc1cccc(c1SCF)F 62a_100015361967_100009820682 [1,1,0,0,0,0|2,0,0]=4 4307 B11R1.605 Oc1cccc(c1SCF)O 62a_100015361967_100010205330 [1,1,0,0,0,0|2,0,0]=4 4308 B11R1.37 C=Cc1cc(ccc1CN)F 271570a_100011290941_100000708791 [1,1,0,0,0,0|1,0,1]=4 4309 B11R1.37 C=Cc1cc(ccc1OC)Br 271570a_100011290941_100012351588 [1,1,0,0,0,0|0,0,2]=4 4310 B11R1.37 C=Cc1cc(ccc1OC)C 271570a_100011290941_100000186399 [1,1,0,0,0,0|0,0,2]=4 4311 B11R1.37 C=Cc1cc(ccc1OC)Cl 271570a_100011290941_100011215930 [1,1,0,0,0,0|0,0,2]=4 4312 B11R1.37 C=Cc1cc(ccc1OC)F 271570a_100011290941_100000171694 [1,1,0,0,0,0|0,0,2]=4 4313 B11R1.37 C=Cc1cc(ccc1OC)N 271570a_100011290941_100000187427 [1,1,0,0,0,0|0,0,2]=4 4314 B11R1.37 C=Cc1cc(ccc1OC)O 271570a_100011290941_100010084122 [1,1,0,0,0,0|0,0,2]=4 4315 B11R1.37 C=Cc1ccc(cc1CC)Br 271570a_100011290941_100011216195 [1,1,0,0,0,0|1,0,1]=4 4316 B11R1.37 C=Cc1ccc(cc1CC)N 271570a_100011290941_100010109747 [1,1,0,0,0,0|1,0,1]=4 4317 B11R1.37 C=Cc1ccc(cc1CN)F 271570a_100011290941_100000742738 [1,1,0,0,0,0|1,0,1]=4 4318 B11R1.37 C=Cc1ccc(cc1OC)Br 271570a_100011290941_100010245111 [1,1,0,0,0,0|0,0,2]=4 4319 B11R1.37 C=Cc1ccc(cc1OC)C 271570a_100011290941_100010200004 [1,1,0,0,0,0|0,0,2]=4 4320 B11R1.37 C=Cc1ccc(cc1OC)Cl 271570a_100011290941_100000050115 [1,1,0,0,0,0|0,0,2]=4 4321 B11R1.37 C=Cc1ccc(cc1OC)F 271570a_100011290941_100000757151 [1,1,0,0,0,0|0,0,2]=4 4322 B11R1.37 C=Cc1ccc(cc1OC)N 271570a_100011290941_100000765947 [1,1,0,0,0,0|0,0,2]=4 4323 B11R1.37 C=Cc1ccc(cc1OC)O 271570a_100011290941_100011827694 [1,1,0,0,0,0|0,0,2]=4 4324 B11R1.37 CCc1cc(ccc1C=O)O 271570a_203496583355_100010209654 [1,1,0,0,0,0|2,0,0]=4 4325 B11R1.37 CCc1cc(ccc1NC)Br 2230a_100000686106_200000210301 [1,1,0,0,0,0|1,0,0]=3 4326 B11R1.37 CCc1cc(ccc1NC)Br 34a_100000686106_200000210301 [1,1,0,0,0,0|1,0,0]=3 4327 B11R1.37 CCc1cc(ccc1NC)Br 7a_100000686106_200000210301 [1,1,0,0,0,0|1,0,0]=3 4328 B11R1.37 CCc1cc(ccc1NC)Cl 2230a_100012017146_200000210301 [1,1,0,0,0,0|1,0,0]=3 4329 B11R1.37 CCc1cc(ccc1NC)Cl 34a_100012017146_200000210301 [1,1,0,0,0,0|1,0,0]=3 4330 B11R1.37 CCc1cc(ccc1NC)Cl 7a_100012017146_200000210301 [1,1,0,0,0,0|1,0,0]=3 4331 B11R1.37 CCc1cc(ccc1NC)I 2230a_100000014069_200000210301 [1,1,0,0,0,0|1,0,0]=3 4332 B11R1.37 CCc1cc(ccc1NC)I 34a_100000014069_200000210301 [1,1,0,0,0,0|1,0,0]=3 4333 B11R1.37 CCc1cc(ccc1NC)I 7a_100000014069_200000210301 [1,1,0,0,0,0|1,0,0]=3 4334 B11R1.37 CCc1cc(ccc1NN)O 271570a_203496583355_100000700371 [1,1,0,0,0,0|2,0,0]=4 4335 B11R1.37 CCc1cc(ccc1N[13CH3])Br 2230a_100000686106_200025704644 [1,1,0,0,0,0|1,0,0]=3 4336 B11R1.37 CCc1cc(ccc1N[13CH3])Br 34a_100000686106_200025704644 [1,1,0,0,0,0|1,0,0]=3 4337 B11R1.37 CCc1cc(ccc1N[13CH3])Br 7a_100000686106_200025704644 [1,1,0,0,0,0|1,0,0]=3 4338 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 2230a_100012017146_200025704644 [1,1,0,0,0,0|1,0,0]=3 4339 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 34a_100012017146_200025704644 [1,1,0,0,0,0|1,0,0]=3 4340 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 7a_100012017146_200025704644 [1,1,0,0,0,0|1,0,0]=3 4341 B11R1.37 CCc1cc(ccc1N[13CH3])I 2230a_100000014069_200025704644 [1,1,0,0,0,0|1,0,0]=3 4342 B11R1.37 CCc1cc(ccc1N[13CH3])I 34a_100000014069_200025704644 [1,1,0,0,0,0|1,0,0]=3 4343 B11R1.37 CCc1cc(ccc1N[13CH3])I 7a_100000014069_200025704644 [1,1,0,0,0,0|1,0,0]=3 4344 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [1,1,0,0,0,0|0,0,0]=2 4345 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [1,1,0,0,0,0|0,0,0]=2 4346 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [1,1,0,0,0,0|0,0,0]=2 4347 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [1,1,0,0,0,0|0,0,0]=2 4348 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [1,1,0,0,0,0|0,0,0]=2 4349 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [1,1,0,0,0,0|0,0,0]=2 4350 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [1,1,0,0,0,0|0,0,0]=2 4351 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [1,1,0,0,0,0|0,0,0]=2 4352 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [1,1,0,0,0,0|0,0,0]=2 4353 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [1,1,0,0,0,0|0,0,0]=2 4354 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [1,1,0,0,0,0|0,0,0]=2 4355 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [1,1,0,0,0,0|0,0,0]=2 4356 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [1,1,0,0,0,0|0,0,0]=2 4357 B11R1.37 CCc1cc(ccc1SC)Br 62a_100011216195_200000210301 [1,1,0,0,0,0|0,1,0]=3 4358 B11R1.37 CCc1cc(ccc1SC)Br 62a_200000210301_100011216195 [1,1,0,0,0,0|0,1,0]=3 4359 B11R1.37 CCc1cc(ccc1SC)N 62a_100010109747_200000210301 [1,1,0,0,0,0|0,1,0]=3 4360 B11R1.37 CCc1cc(ccc1SC)N 62a_200000210301_100010109747 [1,1,0,0,0,0|0,1,0]=3 4361 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_100011216195_200025704644 [1,1,0,0,0,0|0,1,0]=3 4362 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_200025704644_100011216195 [1,1,0,0,0,0|0,1,0]=3 4363 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_100010109747_200025704644 [1,1,0,0,0,0|0,1,0]=3 4364 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_200025704644_100010109747 [1,1,0,0,0,0|0,1,0]=3 4365 B11R1.37 CCc1ccc(cc1CO)O 271570a_203496583355_100010766240 [1,1,0,0,0,0|2,0,0]=4 4366 B11R1.37 CCc1ccc(cc1NC)Br 2230a_100012354963_200000210301 [1,1,0,0,0,0|1,0,0]=3 4367 B11R1.37 CCc1ccc(cc1NC)Br 34a_100012354963_200000210301 [1,1,0,0,0,0|1,0,0]=3 4368 B11R1.37 CCc1ccc(cc1NC)Br 7a_100012354963_200000210301 [1,1,0,0,0,0|1,0,0]=3 4369 B11R1.37 CCc1ccc(cc1NC)Cl 2230a_200012281948_200000210301 [1,1,0,0,0,0|1,0,0]=3 4370 B11R1.37 CCc1ccc(cc1NC)Cl 34a_200012281948_200000210301 [1,1,0,0,0,0|1,0,0]=3 4371 B11R1.37 CCc1ccc(cc1NC)Cl 7a_200012281948_200000210301 [1,1,0,0,0,0|1,0,0]=3 4372 B11R1.37 CCc1ccc(cc1N[13CH3])Br 2230a_100012354963_200025704644 [1,1,0,0,0,0|1,0,0]=3 4373 B11R1.37 CCc1ccc(cc1N[13CH3])Br 34a_100012354963_200025704644 [1,1,0,0,0,0|1,0,0]=3 4374 B11R1.37 CCc1ccc(cc1N[13CH3])Br 7a_100012354963_200025704644 [1,1,0,0,0,0|1,0,0]=3 4375 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 2230a_200012281948_200025704644 [1,1,0,0,0,0|1,0,0]=3 4376 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 34a_200012281948_200025704644 [1,1,0,0,0,0|1,0,0]=3 4377 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 7a_200012281948_200025704644 [1,1,0,0,0,0|1,0,0]=3 4378 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [1,1,0,0,0,0|0,0,0]=2 4379 B11R1.37 CCc1cnc(cc1NC)C 27a_100102657272_100010291839 [1,1,0,0,0,0|2,0,0]=4 4380 B11R1.37 CCc1cnc(cc1SC)C 62a_100010291839_200000210301 [1,1,0,0,0,0|1,1,0]=4 4381 B11R1.37 CCc1cnc(cc1SC)C 62a_200000210301_100010291839 [1,1,0,0,0,0|1,1,0]=4 4382 B11R1.37 CCc1cnc(cc1S[13CH3])C 62a_100010291839_200025704644 [1,1,0,0,0,0|1,1,0]=4 4383 B11R1.37 CCc1cnc(cc1S[13CH3])C 62a_200025704644_100010291839 [1,1,0,0,0,0|1,1,0]=4 4384 B11R1.37 CCc1nc(ccc1OC)C 34a_100000718140_200000210301 [1,1,0,0,0,0|1,0,0]=3 4385 B11R1.37 CCc1nc(ccc1OC)C 7a_100000718140_200000210301 [1,1,0,0,0,0|1,0,0]=3 4386 B11R1.37 CCc1nc(ccc1O[13CH3])C 34a_100000718140_200025704644 [1,1,0,0,0,0|1,0,0]=3 4387 B11R1.37 CCc1nc(ccc1O[13CH3])C 7a_100000718140_200025704644 [1,1,0,0,0,0|1,0,0]=3 4388 B11R1.37 CCc1ncc(cc1SC)N 62a_100013085292_200000210301 [1,1,0,0,0,0|1,1,0]=4 4389 B11R1.37 CCc1ncc(cc1SC)N 62a_200000210301_100013085292 [1,1,0,0,0,0|1,1,0]=4 4390 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_100013085292_200025704644 [1,1,0,0,0,0|1,1,0]=4 4391 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_200025704644_100013085292 [1,1,0,0,0,0|1,1,0]=4 4392 B11R1.37 CNc1cc(ccc1CO)Br 34a_100000718831_200000210301 [1,1,0,0,0,0|2,0,0]=4 4393 B11R1.37 CNc1cc(ccc1CO)C 34a_100000087799_200000210301 [1,1,0,0,0,0|2,0,0]=4 4394 B11R1.37 CNc1cc(ccc1CO)Cl 34a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 4395 B11R1.37 CNc1cc(ccc1CO)F 34a_100011996588_200000210301 [1,1,0,0,0,0|2,0,0]=4 4396 B11R1.37 CNc1cc(ccc1OC)Br 34a_100000743470_200000210301 [1,1,0,0,0,0|1,0,0]=3 4397 B11R1.37 CNc1cc(ccc1OC)C 2230a_100000210980_200000210301 [1,1,0,0,0,0|1,0,0]=3 4398 B11R1.37 CNc1cc(ccc1OC)C 34a_100000210980_200000210301 [1,1,0,0,0,0|1,0,0]=3 4399 B11R1.37 CNc1cc(ccc1OC)Cl 34a_100000182114_200000210301 [1,1,0,0,0,0|1,0,0]=3 4400 B11R1.37 CNc1cc(ccc1OC)F 34a_100000757179_200000210301 [1,1,0,0,0,0|1,0,0]=3 4401 B11R1.37 CNc1cc(ccc1SC)Cl 34a_100000745667_200000210301 [1,1,0,0,0,0|1,1,0]=4 4402 B11R1.37 CNc1cc(ccc1SC)F 62a_100020633008_200000210301 [1,1,0,0,0,0|1,1,0]=4 4403 B11R1.37 CNc1cc(ccc1SC)F 62a_200000210301_100020633008 [1,1,0,0,0,0|1,1,0]=4 4404 B11R1.37 CNc1cc(ccc1S[13CH3])F 62a_100020633008_200025704644 [1,1,0,0,0,0|1,1,0]=4 4405 B11R1.37 CNc1cc(ccc1S[13CH3])F 62a_200025704644_100020633008 [1,1,0,0,0,0|1,1,0]=4 4406 B11R1.37 CNc1ccc(cc1CO)Br 34a_100012353972_200000210301 [1,1,0,0,0,0|2,0,0]=4 4407 B11R1.37 CNc1ccc(cc1CO)C 34a_100011215565_200000210301 [1,1,0,0,0,0|2,0,0]=4 4408 B11R1.37 CNc1ccc(cc1CO)Cl 34a_100011214999_200000210301 [1,1,0,0,0,0|2,0,0]=4 4409 B11R1.37 CNc1ccc(cc1CO)F 34a_100011296978_200000210301 [1,1,0,0,0,0|2,0,0]=4 4410 B11R1.37 CNc1ccc(cc1OC)Br 34a_100011279103_200000210301 [1,1,0,0,0,0|1,0,0]=3 4411 B11R1.37 CNc1ccc(cc1OC)C 2230a_100000746441_200000210301 [1,1,0,0,0,0|1,0,0]=3 4412 B11R1.37 CNc1ccc(cc1OC)C 34a_100000746441_200000210301 [1,1,0,0,0,0|1,0,0]=3 4413 B11R1.37 CNc1ccc(cc1OC)Cl 34a_100000707585_200000210301 [1,1,0,0,0,0|1,0,0]=3 4414 B11R1.37 CNc1ccc(cc1OC)F 34a_100000737216_200000210301 [1,1,0,0,0,0|1,0,0]=3 4415 B11R1.37 CNc1ccc(cc1OC)I 34a_100015196925_200000210301 [1,1,0,0,0,0|1,0,0]=3 4416 B11R1.37 CNc1ccc(cc1OC)O 34a_100015326901_200000210301 [1,1,0,0,0,0|1,0,0]=3 4417 B11R1.37 CNc1ccc(cc1SC)C 62a_100000221369_200000210301 [1,1,0,0,0,0|1,1,0]=4 4418 B11R1.37 CNc1ccc(cc1SC)C 62a_200000210301_100000221369 [1,1,0,0,0,0|1,1,0]=4 4419 B11R1.37 CNc1ccc(cc1SC)F 62a_100011246292_200000210301 [1,1,0,0,0,0|1,1,0]=4 4420 B11R1.37 CNc1ccc(cc1SC)F 62a_200000210301_100011246292 [1,1,0,0,0,0|1,1,0]=4 4421 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_100000221369_200025704644 [1,1,0,0,0,0|1,1,0]=4 4422 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_200025704644_100000221369 [1,1,0,0,0,0|1,1,0]=4 4423 B11R1.37 CNc1ccc(cc1S[13CH3])F 62a_100011246292_200025704644 [1,1,0,0,0,0|1,1,0]=4 4424 B11R1.37 CNc1ccc(cc1S[13CH3])F 62a_200025704644_100011246292 [1,1,0,0,0,0|1,1,0]=4 4425 B11R1.37 COc1c[nH]c(=O)cc1SC 62a_100121573661_200000210301 [1,1,0,0,0,0|2,0,0]=4 4426 B11R1.37 COc1c[nH]c(=O)cc1SC 62a_200000210301_100121573661 [1,1,0,0,0,0|2,0,0]=4 4427 B11R1.37 COc1c[nH]c(=O)cc1S[13CH3] 62a_100121573661_200025704644 [1,1,0,0,0,0|2,0,0]=4 4428 B11R1.37 COc1c[nH]c(=O)cc1S[13CH3] 62a_200025704644_100121573661 [1,1,0,0,0,0|2,0,0]=4 4429 B11R1.37 COc1cc(ccc1C#N)Br 34a_100011934713_200000210301 [1,1,0,0,0,0|0,0,2]=4 4430 B11R1.37 COc1cc(ccc1C#N)Br 7a_100011934713_200000210301 [1,1,0,0,0,0|0,0,2]=4 4431 B11R1.37 COc1cc(ccc1C#N)C 34a_100011640519_200000210301 [1,1,0,0,0,0|0,0,2]=4 4432 B11R1.37 COc1cc(ccc1C#N)C 7a_100011640519_200000210301 [1,1,0,0,0,0|0,0,2]=4 4433 B11R1.37 COc1cc(ccc1C#N)Cl 34a_100000688488_200000210301 [1,1,0,0,0,0|0,0,2]=4 4434 B11R1.37 COc1cc(ccc1C#N)Cl 7a_100000688488_200000210301 [1,1,0,0,0,0|0,0,2]=4 4435 B11R1.37 COc1cc(ccc1C#N)F 34a_100012185923_200000210301 [1,1,0,0,0,0|0,0,2]=4 4436 B11R1.37 COc1cc(ccc1C#N)F 7a_100012185923_200000210301 [1,1,0,0,0,0|0,0,2]=4 4437 B11R1.37 COc1cc(ccc1C#N)N 34a_100000094571_200000210301 [1,1,0,0,0,0|0,0,2]=4 4438 B11R1.37 COc1cc(ccc1C#N)N 7a_100000094571_200000210301 [1,1,0,0,0,0|0,0,2]=4 4439 B11R1.37 COc1cc(ccc1C#N)O 271570a_203496583355_100000694671 [1,1,0,0,0,0|0,0,2]=4 4440 B11R1.37 COc1cc(ccc1C=O)O 271570a_203496583355_100000697075 [1,1,0,0,0,0|1,0,1]=4 4441 B11R1.37 COc1cc(ccc1CO)Br 34a_100000071718_200000210301 [1,1,0,0,0,0|1,0,0]=3 4442 B11R1.37 COc1cc(ccc1CO)Br 7a_100000071718_200000210301 [1,1,0,0,0,0|1,0,0]=3 4443 B11R1.37 COc1cc(ccc1CO)O 271570a_203496583355_100011277633 [1,1,0,0,0,0|1,0,0]=3 4444 B11R1.37 COc1cc(ccc1N[13CH3])Br 34a_100011279103_200025704644 [1,1,0,0,0,0|1,0,0]=3 4445 B11R1.37 COc1cc(ccc1N[13CH3])C 2230a_100000746441_200025704644 [1,1,0,0,0,0|1,0,0]=3 4446 B11R1.37 COc1cc(ccc1N[13CH3])C 34a_100000746441_200025704644 [1,1,0,0,0,0|1,0,0]=3 4447 B11R1.37 COc1cc(ccc1N[13CH3])Cl 34a_100000707585_200025704644 [1,1,0,0,0,0|1,0,0]=3 4448 B11R1.37 COc1cc(ccc1N[13CH3])F 34a_100000737216_200025704644 [1,1,0,0,0,0|1,0,0]=3 4449 B11R1.37 COc1cc(ccc1N[13CH3])I 34a_100015196925_200025704644 [1,1,0,0,0,0|1,0,0]=3 4450 B11R1.37 COc1cc(ccc1N[13CH3])O 34a_100015326901_200025704644 [1,1,0,0,0,0|1,0,0]=3 4451 B11R1.37 COc1cc(ccc1O[13CH3])Br 34a_100000694246_200025704644 [1,1,0,0,0,0|1,0,0]=3 4452 B11R1.37 COc1cc(ccc1O[13CH3])Br 7a_100000694246_200025704644 [1,1,0,0,0,0|1,0,0]=3 4453 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [1,1,0,0,0,0|1,0,0]=3 4454 B11R1.37 COc1cc(ccc1O[13CH3])Cl 34a_100000033002_200025704644 [1,1,0,0,0,0|1,0,0]=3 4455 B11R1.37 COc1cc(ccc1O[13CH3])F 34a_100000036057_200025704644 [1,1,0,0,0,0|1,0,0]=3 4456 B11R1.37 COc1cc(ccc1O[13CH3])F 7a_100000036057_200025704644 [1,1,0,0,0,0|1,0,0]=3 4457 B11R1.37 COc1cc(ccc1O[13CH3])I 34a_100000049635_200025704644 [1,1,0,0,0,0|1,0,0]=3 4458 B11R1.37 COc1cc(ccc1O[13CH3])N 34a_100000726020_200025704644 [1,1,0,0,0,0|1,0,0]=3 4459 B11R1.37 COc1cc(ccc1SC)Br 62a_100010245111_200000210301 [1,1,0,0,0,0|1,0,0]=3 4460 B11R1.37 COc1cc(ccc1SC)Br 62a_200000210301_100010245111 [1,1,0,0,0,0|1,0,0]=3 4461 B11R1.37 COc1cc(ccc1SC)C 62a_100010200004_200000210301 [1,1,0,0,0,0|1,0,0]=3 4462 B11R1.37 COc1cc(ccc1SC)C 62a_200000210301_100010200004 [1,1,0,0,0,0|1,0,0]=3 4463 B11R1.37 COc1cc(ccc1SC)Cl 62a_100000050115_200000210301 [1,1,0,0,0,0|1,0,0]=3 4464 B11R1.37 COc1cc(ccc1SC)Cl 62a_200000210301_100000050115 [1,1,0,0,0,0|1,0,0]=3 4465 B11R1.37 COc1cc(ccc1SC)F 62a_100000757151_200000210301 [1,1,0,0,0,0|1,0,0]=3 4466 B11R1.37 COc1cc(ccc1SC)F 62a_200000210301_100000757151 [1,1,0,0,0,0|1,0,0]=3 4467 B11R1.37 COc1cc(ccc1SC)N 62a_100000765947_200000210301 [1,1,0,0,0,0|1,0,0]=3 4468 B11R1.37 COc1cc(ccc1SC)N 62a_200000210301_100000765947 [1,1,0,0,0,0|1,0,0]=3 4469 B11R1.37 COc1cc(ccc1SC)O 271570a_203496583355_200011001119 [1,1,0,0,0,0|1,0,0]=3 4470 B11R1.37 COc1cc(ccc1SC)O 62a_200000210301_100011827694 [1,1,0,0,0,0|1,0,0]=3 4471 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_100010245111_200025704644 [1,1,0,0,0,0|1,0,0]=3 4472 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_200025704644_100010245111 [1,1,0,0,0,0|1,0,0]=3 4473 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_100010200004_200025704644 [1,1,0,0,0,0|1,0,0]=3 4474 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_200025704644_100010200004 [1,1,0,0,0,0|1,0,0]=3 4475 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_100000050115_200025704644 [1,1,0,0,0,0|1,0,0]=3 4476 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_200025704644_100000050115 [1,1,0,0,0,0|1,0,0]=3 4477 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_100000757151_200025704644 [1,1,0,0,0,0|1,0,0]=3 4478 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_200025704644_100000757151 [1,1,0,0,0,0|1,0,0]=3 4479 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_100000765947_200025704644 [1,1,0,0,0,0|1,0,0]=3 4480 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_200025704644_100000765947 [1,1,0,0,0,0|1,0,0]=3 4481 B11R1.37 COc1cc(ccc1S[13CH3])O 62a_200025704644_100011827694 [1,1,0,0,0,0|1,0,0]=3 4482 B11R1.37 COc1cc(cnc1CO)O 271570a_203496583355_200010246159 [1,1,0,0,0,0|2,0,0]=4 4483 B11R1.37 COc1cc(cnc1OC)Br 34a_100010135713_200000210301 [1,1,0,0,0,0|2,0,0]=4 4484 B11R1.37 COc1cc(cnc1OC)Cl 34a_200009845368_200000210301 [1,1,0,0,0,0|2,0,0]=4 4485 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [1,1,0,0,0,0|2,0,0]=4 4486 B11R1.37 COc1cc(cnc1O[13CH3])Cl 34a_200009845368_200025704644 [1,1,0,0,0,0|2,0,0]=4 4487 B11R1.37 COc1cc(cnc1SC)C 62a_200000210301_200000118316 [1,1,0,0,0,0|2,0,0]=4 4488 B11R1.37 COc1cc(cnc1SC)F 62a_100010136273_200000210301 [1,1,0,0,0,0|2,0,0]=4 4489 B11R1.37 COc1cc(cnc1SC)F 62a_200000210301_100009867738 [1,1,0,0,0,0|2,0,0]=4 4490 B11R1.37 COc1cc(cnc1SC)N 62a_200000210301_100000097218 [1,1,0,0,0,0|2,0,0]=4 4491 B11R1.37 COc1cc(cnc1SC)N 62a_200010291755_200000210301 [1,1,0,0,0,0|2,0,0]=4 4492 B11R1.37 COc1cc(cnc1S[13CH3])C 62a_200025704644_200000118316 [1,1,0,0,0,0|2,0,0]=4 4493 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_100010136273_200025704644 [1,1,0,0,0,0|2,0,0]=4 4494 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_200025704644_100009867738 [1,1,0,0,0,0|2,0,0]=4 4495 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200010291755_200025704644 [1,1,0,0,0,0|2,0,0]=4 4496 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200025704644_100000097218 [1,1,0,0,0,0|2,0,0]=4 4497 B11R1.37 COc1cc(ncc1CO)O 271570a_203496583355_100010714672 [1,1,0,0,0,0|2,0,0]=4 4498 B11R1.37 COc1cc(ncc1SC)C 62a_100000717771_200000210301 [1,1,0,0,0,0|2,0,0]=4 4499 B11R1.37 COc1cc(ncc1SC)C 62a_200000210301_100000717771 [1,1,0,0,0,0|2,0,0]=4 4500 B11R1.37 COc1cc(ncc1SC)Cl 62a_100010154656_200000210301 [1,1,0,0,0,0|2,0,0]=4 4501 B11R1.37 COc1cc(ncc1SC)Cl 62a_200000210301_100010154656 [1,1,0,0,0,0|2,0,0]=4 4502 B11R1.37 COc1cc(ncc1SC)F 62a_100010135560_200000210301 [1,1,0,0,0,0|2,0,0]=4 4503 B11R1.37 COc1cc(ncc1SC)F 62a_200000210301_100010135560 [1,1,0,0,0,0|2,0,0]=4 4504 B11R1.37 COc1cc(ncc1SC)N 62a_100015506990_200000210301 [1,1,0,0,0,0|2,0,0]=4 4505 B11R1.37 COc1cc(ncc1SC)N 62a_200000210301_100015506990 [1,1,0,0,0,0|2,0,0]=4 4506 B11R1.37 COc1cc(ncc1S[13CH3])C 62a_100000717771_200025704644 [1,1,0,0,0,0|2,0,0]=4 4507 B11R1.37 COc1cc(ncc1S[13CH3])C 62a_200025704644_100000717771 [1,1,0,0,0,0|2,0,0]=4 4508 B11R1.37 COc1cc(ncc1S[13CH3])Cl 62a_100010154656_200025704644 [1,1,0,0,0,0|2,0,0]=4 4509 B11R1.37 COc1cc(ncc1S[13CH3])Cl 62a_200025704644_100010154656 [1,1,0,0,0,0|2,0,0]=4 4510 B11R1.37 COc1cc(ncc1S[13CH3])F 62a_100010135560_200025704644 [1,1,0,0,0,0|2,0,0]=4 4511 B11R1.37 COc1cc(ncc1S[13CH3])F 62a_200025704644_100010135560 [1,1,0,0,0,0|2,0,0]=4 4512 B11R1.37 COc1cc(ncc1S[13CH3])N 62a_100015506990_200025704644 [1,1,0,0,0,0|2,0,0]=4 4513 B11R1.37 COc1cc(ncc1S[13CH3])N 62a_200025704644_100015506990 [1,1,0,0,0,0|2,0,0]=4 4514 B11R1.37 COc1ccc(cc1C#N)Br 34a_100000687585_200000210301 [1,1,0,0,0,0|0,0,2]=4 4515 B11R1.37 COc1ccc(cc1C#N)Br 7a_100000687585_200000210301 [1,1,0,0,0,0|0,0,2]=4 4516 B11R1.37 COc1ccc(cc1C#N)C 34a_200012180384_200000210301 [1,1,0,0,0,0|0,0,2]=4 4517 B11R1.37 COc1ccc(cc1C#N)C 7a_200012180384_200000210301 [1,1,0,0,0,0|0,0,2]=4 4518 B11R1.37 COc1ccc(cc1C#N)Cl 34a_100011219380_200000210301 [1,1,0,0,0,0|0,0,2]=4 4519 B11R1.37 COc1ccc(cc1C#N)Cl 7a_100011219380_200000210301 [1,1,0,0,0,0|0,0,2]=4 4520 B11R1.37 COc1ccc(cc1C#N)F 34a_100011900173_200000210301 [1,1,0,0,0,0|0,0,2]=4 4521 B11R1.37 COc1ccc(cc1C#N)F 7a_100011900173_200000210301 [1,1,0,0,0,0|0,0,2]=4 4522 B11R1.37 COc1ccc(cc1C#N)I 34a_200000049958_200000210301 [1,1,0,0,0,0|0,0,2]=4 4523 B11R1.37 COc1ccc(cc1C#N)I 7a_200000049958_200000210301 [1,1,0,0,0,0|0,0,2]=4 4524 B11R1.37 COc1ccc(cc1C#N)N 34a_100011249283_200000210301 [1,1,0,0,0,0|0,0,2]=4 4525 B11R1.37 COc1ccc(cc1C#N)N 7a_100011249283_200000210301 [1,1,0,0,0,0|0,0,2]=4 4526 B11R1.37 COc1ccc(cc1C#N)O 271570a_203496583355_100000188252 [1,1,0,0,0,0|0,0,2]=4 4527 B11R1.37 COc1ccc(cc1C=O)O 271570a_203496583355_100000170026 [1,1,0,0,0,0|1,0,1]=4 4528 B11R1.37 COc1ccc(cc1CBr)F 34a_100010161318_200000210301 [1,1,0,0,0,0|1,0,0]=3 4529 B11R1.37 COc1ccc(cc1CBr)F 7a_100010161318_200000210301 [1,1,0,0,0,0|1,0,0]=3 4530 B11R1.37 COc1ccc(cc1CN)Br 34a_100000730032_200000210301 [1,1,0,0,0,0|0,0,0]=2 4531 B11R1.37 COc1ccc(cc1CN)Cl 34a_100000238540_200000210301 [1,1,0,0,0,0|0,0,0]=2 4532 B11R1.37 COc1ccc(cc1CN)O 271570a_203496583355_100000690498 [1,1,0,0,0,0|0,0,0]=2 4533 B11R1.37 COc1ccc(cc1CO)Br 34a_100000184703_200000210301 [1,1,0,0,0,0|1,0,0]=3 4534 B11R1.37 COc1ccc(cc1CO)Br 7a_100000184703_200000210301 [1,1,0,0,0,0|1,0,0]=3 4535 B11R1.37 COc1ccc(cc1CO)C 34a_200011846009_200000210301 [1,1,0,0,0,0|1,0,0]=3 4536 B11R1.37 COc1ccc(cc1CO)C 7a_200011846009_200000210301 [1,1,0,0,0,0|1,0,0]=3 4537 B11R1.37 COc1ccc(cc1CO)Cl 34a_100011218961_200000210301 [1,1,0,0,0,0|1,0,0]=3 4538 B11R1.37 COc1ccc(cc1CO)Cl 7a_100011218961_200000210301 [1,1,0,0,0,0|1,0,0]=3 4539 B11R1.37 COc1ccc(cc1CO)F 34a_100011291448_200000210301 [1,1,0,0,0,0|1,0,0]=3 4540 B11R1.37 COc1ccc(cc1CO)F 7a_100011291448_200000210301 [1,1,0,0,0,0|1,0,0]=3 4541 B11R1.37 COc1ccc(cc1CO)I 34a_100000049520_200000210301 [1,1,0,0,0,0|1,0,0]=3 4542 B11R1.37 COc1ccc(cc1CO)I 7a_100000049520_200000210301 [1,1,0,0,0,0|1,0,0]=3 4543 B11R1.37 COc1ccc(cc1CO)O 271570a_203496583355_100000204679 [1,1,0,0,0,0|1,0,0]=3 4544 B11R1.37 COc1ccc(cc1N[13CH3])Br 34a_100000743470_200025704644 [1,1,0,0,0,0|1,0,0]=3 4545 B11R1.37 COc1ccc(cc1N[13CH3])C 2230a_100000210980_200025704644 [1,1,0,0,0,0|1,0,0]=3 4546 B11R1.37 COc1ccc(cc1N[13CH3])C 34a_100000210980_200025704644 [1,1,0,0,0,0|1,0,0]=3 4547 B11R1.37 COc1ccc(cc1N[13CH3])Cl 34a_100000182114_200025704644 [1,1,0,0,0,0|1,0,0]=3 4548 B11R1.37 COc1ccc(cc1N[13CH3])F 34a_100000757179_200025704644 [1,1,0,0,0,0|1,0,0]=3 4549 B11R1.37 COc1ccc(cc1OC)Br 34a_100000694246_200000210301 [1,1,0,0,0,0|1,0,0]=3 4550 B11R1.37 COc1ccc(cc1OC)Br 34a_100009816560_200000210301 [1,1,0,0,0,0|1,0,0]=3 4551 B11R1.37 COc1ccc(cc1OC)Br 7a_100000694246_200000210301 [1,1,0,0,0,0|1,0,0]=3 4552 B11R1.37 COc1ccc(cc1OC)Br 7a_100009816560_200000210301 [1,1,0,0,0,0|1,0,0]=3 4553 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [1,1,0,0,0,0|1,0,0]=3 4554 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [1,1,0,0,0,0|1,0,0]=3 4555 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [1,1,0,0,0,0|1,0,0]=3 4556 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000033002_200000210301 [1,1,0,0,0,0|1,0,0]=3 4557 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000101779_200000210301 [1,1,0,0,0,0|1,0,0]=3 4558 B11R1.37 COc1ccc(cc1OC)Cl 7a_100000101779_200000210301 [1,1,0,0,0,0|1,0,0]=3 4559 B11R1.37 COc1ccc(cc1OC)F 34a_100000034962_200000210301 [1,1,0,0,0,0|1,0,0]=3 4560 B11R1.37 COc1ccc(cc1OC)F 34a_100000036057_200000210301 [1,1,0,0,0,0|1,0,0]=3 4561 B11R1.37 COc1ccc(cc1OC)F 7a_100000034962_200000210301 [1,1,0,0,0,0|1,0,0]=3 4562 B11R1.37 COc1ccc(cc1OC)F 7a_100000036057_200000210301 [1,1,0,0,0,0|1,0,0]=3 4563 B11R1.37 COc1ccc(cc1OC)I 34a_100000049635_200000210301 [1,1,0,0,0,0|1,0,0]=3 4564 B11R1.37 COc1ccc(cc1OC)N 34a_100000211920_200000210301 [1,1,0,0,0,0|1,0,0]=3 4565 B11R1.37 COc1ccc(cc1OC)N 34a_100000726020_200000210301 [1,1,0,0,0,0|1,0,0]=3 4566 B11R1.37 COc1ccc(cc1OC)O 271570a_203496583355_100000187503 [1,1,0,0,0,0|1,0,0]=3 4567 B11R1.37 COc1ccc(cc1O[13CH3])Br 34a_100009816560_200025704644 [1,1,0,0,0,0|1,0,0]=3 4568 B11R1.37 COc1ccc(cc1O[13CH3])Br 7a_100009816560_200025704644 [1,1,0,0,0,0|1,0,0]=3 4569 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [1,1,0,0,0,0|1,0,0]=3 4570 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [1,1,0,0,0,0|1,0,0]=3 4571 B11R1.37 COc1ccc(cc1O[13CH3])Cl 34a_100000101779_200025704644 [1,1,0,0,0,0|1,0,0]=3 4572 B11R1.37 COc1ccc(cc1O[13CH3])Cl 7a_100000101779_200025704644 [1,1,0,0,0,0|1,0,0]=3 4573 B11R1.37 COc1ccc(cc1O[13CH3])F 34a_100000034962_200025704644 [1,1,0,0,0,0|1,0,0]=3 4574 B11R1.37 COc1ccc(cc1O[13CH3])F 7a_100000034962_200025704644 [1,1,0,0,0,0|1,0,0]=3 4575 B11R1.37 COc1ccc(cc1O[13CH3])N 34a_100000211920_200025704644 [1,1,0,0,0,0|1,0,0]=3 4576 B11R1.37 COc1ccc(cc1SC)Br 62a_100012351588_200000210301 [1,1,0,0,0,0|1,0,0]=3 4577 B11R1.37 COc1ccc(cc1SC)Br 62a_200000210301_100012351588 [1,1,0,0,0,0|1,0,0]=3 4578 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [1,1,0,0,0,0|1,0,0]=3 4579 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [1,1,0,0,0,0|1,0,0]=3 4580 B11R1.37 COc1ccc(cc1SC)Cl 62a_100011215930_200000210301 [1,1,0,0,0,0|1,0,0]=3 4581 B11R1.37 COc1ccc(cc1SC)Cl 62a_200000210301_100011215930 [1,1,0,0,0,0|1,0,0]=3 4582 B11R1.37 COc1ccc(cc1SC)F 62a_100000171694_200000210301 [1,1,0,0,0,0|1,0,0]=3 4583 B11R1.37 COc1ccc(cc1SC)F 62a_200000210301_100000171694 [1,1,0,0,0,0|1,0,0]=3 4584 B11R1.37 COc1ccc(cc1SC)N 62a_100011356947_200000210301 [1,1,0,0,0,0|1,0,0]=3 4585 B11R1.37 COc1ccc(cc1SC)N 62a_200000210301_100011356947 [1,1,0,0,0,0|1,0,0]=3 4586 B11R1.37 COc1ccc(cc1SC)O 271570a_203496583355_200009892704 [1,1,0,0,0,0|1,0,0]=3 4587 B11R1.37 COc1ccc(cc1SC)O 62a_100010234764_200000210301 [1,1,0,0,0,0|1,0,0]=3 4588 B11R1.37 COc1ccc(cc1SC)O 62a_200000210301_100010234764 [1,1,0,0,0,0|1,0,0]=3 4589 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_100012351588_200025704644 [1,1,0,0,0,0|1,0,0]=3 4590 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_200025704644_100012351588 [1,1,0,0,0,0|1,0,0]=3 4591 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [1,1,0,0,0,0|1,0,0]=3 4592 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [1,1,0,0,0,0|1,0,0]=3 4593 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_100011215930_200025704644 [1,1,0,0,0,0|1,0,0]=3 4594 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011215930 [1,1,0,0,0,0|1,0,0]=3 4595 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_100000171694_200025704644 [1,1,0,0,0,0|1,0,0]=3 4596 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_200025704644_100000171694 [1,1,0,0,0,0|1,0,0]=3 4597 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_100011356947_200025704644 [1,1,0,0,0,0|1,0,0]=3 4598 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_200025704644_100011356947 [1,1,0,0,0,0|1,0,0]=3 4599 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_100010234764_200025704644 [1,1,0,0,0,0|1,0,0]=3 4600 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_200025704644_100010234764 [1,1,0,0,0,0|1,0,0]=3 4601 B11R1.37 COc1ccc(nc1CCl)C 34a_100020630696_200000210301 [1,1,0,0,0,0|2,0,0]=4 4602 B11R1.37 COc1ccc(nc1CCl)C 7a_100020630696_200000210301 [1,1,0,0,0,0|2,0,0]=4 4603 B11R1.37 COc1ccc(nc1CO)C 34a_100000751967_200000210301 [1,1,0,0,0,0|2,0,0]=4 4604 B11R1.37 COc1ccc(nc1OC)Br 34a_100010893133_200000210301 [1,1,0,0,0,0|2,0,0]=4 4605 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [1,1,0,0,0,0|2,0,0]=4 4606 B11R1.37 COc1ccc(nc1SC)C 62a_100009820875_200000210301 [1,1,0,0,0,0|2,0,0]=4 4607 B11R1.37 COc1ccc(nc1SC)C 62a_200000210301_100009820875 [1,1,0,0,0,0|2,0,0]=4 4608 B11R1.37 COc1ccc(nc1SC)N 62a_100010172607_200000210301 [1,1,0,0,0,0|2,0,0]=4 4609 B11R1.37 COc1ccc(nc1SC)N 62a_200000210301_100010172607 [1,1,0,0,0,0|2,0,0]=4 4610 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_100009820875_200025704644 [1,1,0,0,0,0|2,0,0]=4 4611 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_200025704644_100009820875 [1,1,0,0,0,0|2,0,0]=4 4612 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_100010172607_200025704644 [1,1,0,0,0,0|2,0,0]=4 4613 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_200025704644_100010172607 [1,1,0,0,0,0|2,0,0]=4 4614 B11R1.37 COc1cnc(cc1OC)Br 34a_100010264082_200000210301 [1,1,0,0,0,0|2,0,0]=4 4615 B11R1.37 COc1cnc(cc1OC)Cl 34a_100009849459_200000210301 [1,1,0,0,0,0|2,0,0]=4 4616 B11R1.37 COc1cnc(cc1O[13CH3])Br 34a_100010264082_200025704644 [1,1,0,0,0,0|2,0,0]=4 4617 B11R1.37 COc1cnc(cc1O[13CH3])Cl 34a_100009849459_200025704644 [1,1,0,0,0,0|2,0,0]=4 4618 B11R1.37 COc1cnc(cc1SC)C 62a_100010109759_200000210301 [1,1,0,0,0,0|2,0,0]=4 4619 B11R1.37 COc1cnc(cc1SC)C 62a_200000210301_100010109759 [1,1,0,0,0,0|2,0,0]=4 4620 B11R1.37 COc1cnc(cc1S[13CH3])C 62a_100010109759_200025704644 [1,1,0,0,0,0|2,0,0]=4 4621 B11R1.37 COc1cnc(cc1S[13CH3])C 62a_200025704644_100010109759 [1,1,0,0,0,0|2,0,0]=4 4622 B11R1.37 COc1nc(ccc1CN)O 271570a_203496583355_100015687481 [1,1,0,0,0,0|1,0,0]=3 4623 B11R1.37 COc1nc(ccc1CO)O 271570a_203496583355_100010988397 [1,1,0,0,0,0|2,0,0]=4 4624 B11R1.37 COc1nc(ccc1O[13CH3])Br 34a_100010893133_200025704644 [1,1,0,0,0,0|2,0,0]=4 4625 B11R1.37 COc1nc(ccc1SC)C 62a_100010138632_200000210301 [1,1,0,0,0,0|2,0,0]=4 4626 B11R1.37 COc1nc(ccc1SC)C 62a_200000210301_100010138632 [1,1,0,0,0,0|2,0,0]=4 4627 B11R1.37 COc1nc(ccc1SC)N 62a_100010187630_200000210301 [1,1,0,0,0,0|2,0,0]=4 4628 B11R1.37 COc1nc(ccc1SC)N 62a_200000210301_100010187630 [1,1,0,0,0,0|2,0,0]=4 4629 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_100010138632_200025704644 [1,1,0,0,0,0|2,0,0]=4 4630 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_200025704644_100010138632 [1,1,0,0,0,0|2,0,0]=4 4631 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_100010187630_200025704644 [1,1,0,0,0,0|2,0,0]=4 4632 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_200025704644_100010187630 [1,1,0,0,0,0|2,0,0]=4 4633 B11R1.37 COc1ncc(cc1CO)O 271570a_203496583355_100000695684 [1,1,0,0,0,0|2,0,0]=4 4634 B11R1.37 COc1ncc(cc1O[13CH3])Br 34a_100010135713_200025704644 [1,1,0,0,0,0|2,0,0]=4 4635 B11R1.37 COc1ncc(cc1SC)Br 62a_100009814608_200000210301 [1,1,0,0,0,0|2,0,0]=4 4636 B11R1.37 COc1ncc(cc1SC)Br 62a_200000210301_100009814608 [1,1,0,0,0,0|2,0,0]=4 4637 B11R1.37 COc1ncc(cc1SC)C 62a_100012353929_200000210301 [1,1,0,0,0,0|2,0,0]=4 4638 B11R1.37 COc1ncc(cc1SC)C 62a_200000210301_100012353929 [1,1,0,0,0,0|2,0,0]=4 4639 B11R1.37 COc1ncc(cc1SC)F 62a_100009828472_200000210301 [1,1,0,0,0,0|2,0,0]=4 4640 B11R1.37 COc1ncc(cc1SC)F 62a_200000210301_100009828472 [1,1,0,0,0,0|2,0,0]=4 4641 B11R1.37 COc1ncc(cc1SC)N 62a_100012351452_200000210301 [1,1,0,0,0,0|2,0,0]=4 4642 B11R1.37 COc1ncc(cc1SC)N 62a_200000210301_100012351452 [1,1,0,0,0,0|2,0,0]=4 4643 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_100009814608_200025704644 [1,1,0,0,0,0|2,0,0]=4 4644 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_200025704644_100009814608 [1,1,0,0,0,0|2,0,0]=4 4645 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_100012353929_200025704644 [1,1,0,0,0,0|2,0,0]=4 4646 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_200025704644_100012353929 [1,1,0,0,0,0|2,0,0]=4 4647 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_100009828472_200025704644 [1,1,0,0,0,0|2,0,0]=4 4648 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_200025704644_100009828472 [1,1,0,0,0,0|2,0,0]=4 4649 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_100012351452_200025704644 [1,1,0,0,0,0|2,0,0]=4 4650 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_200025704644_100012351452 [1,1,0,0,0,0|2,0,0]=4 4651 B11R1.37 CSc1cc(ccc1CN)F 62a_100000708791_200000210301 [1,1,0,0,0,0|0,1,0]=3 4652 B11R1.37 CSc1cc(ccc1CN)F 62a_200000210301_100000708791 [1,1,0,0,0,0|0,1,0]=3 4653 B11R1.37 CSc1cc(ccc1CO)Br 62a_100010146605_200000210301 [1,1,0,0,0,0|1,1,0]=4 4654 B11R1.37 CSc1cc(ccc1CO)Br 62a_200000210301_100010146605 [1,1,0,0,0,0|1,1,0]=4 4655 B11R1.37 CSc1cc(ccc1CO)Cl 62a_100000722340_200000210301 [1,1,0,0,0,0|1,1,0]=4 4656 B11R1.37 CSc1cc(ccc1CO)Cl 62a_200000210301_100000722340 [1,1,0,0,0,0|1,1,0]=4 4657 B11R1.37 CSc1cc(ccc1CO)F 62a_100000744086_200000210301 [1,1,0,0,0,0|1,1,0]=4 4658 B11R1.37 CSc1cc(ccc1CO)F 62a_200000210301_100000744086 [1,1,0,0,0,0|1,1,0]=4 4659 B11R1.37 CSc1cc(ccc1CO)O 62a_100010146404_200000210301 [1,1,0,0,0,0|1,1,0]=4 4660 B11R1.37 CSc1cc(ccc1CO)O 62a_200000210301_100010146404 [1,1,0,0,0,0|1,1,0]=4 4661 B11R1.37 CSc1cc(ccc1NN)C 62a_100016996181_200000210301 [1,1,0,0,0,0|1,1,0]=4 4662 B11R1.37 CSc1cc(ccc1NN)C 62a_200000210301_100016996181 [1,1,0,0,0,0|1,1,0]=4 4663 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200010709736_200025704644 [1,1,0,0,0,0|1,1,0]=4 4664 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200025704644_200010709736 [1,1,0,0,0,0|1,1,0]=4 4665 B11R1.37 CSc1ccc(cc1CN)F 62a_100000742738_200000210301 [1,1,0,0,0,0|0,1,0]=3 4666 B11R1.37 CSc1ccc(cc1CN)F 62a_200000210301_100000742738 [1,1,0,0,0,0|0,1,0]=3 4667 B11R1.37 CSc1ccc(cc1CO)Br 62a_100011356890_200000210301 [1,1,0,0,0,0|1,1,0]=4 4668 B11R1.37 CSc1ccc(cc1CO)Br 62a_200000210301_100011356890 [1,1,0,0,0,0|1,1,0]=4 4669 B11R1.37 CSc1ccc(cc1CO)C 62a_100012361352_200000210301 [1,1,0,0,0,0|1,1,0]=4 4670 B11R1.37 CSc1ccc(cc1CO)C 62a_200000210301_100012361352 [1,1,0,0,0,0|1,1,0]=4 4671 B11R1.37 CSc1ccc(cc1CO)F 62a_100011217561_200000210301 [1,1,0,0,0,0|1,1,0]=4 4672 B11R1.37 CSc1ccc(cc1CO)F 62a_200000210301_100011217561 [1,1,0,0,0,0|1,1,0]=4 4673 B11R1.37 CSc1ccc(cc1CO)N 62a_100012347228_200000210301 [1,1,0,0,0,0|1,1,0]=4 4674 B11R1.37 CSc1ccc(cc1CO)N 62a_200000210301_100012347228 [1,1,0,0,0,0|1,1,0]=4 4675 B11R1.37 CSc1ccc(cc1CO)O 62a_100012351483_200000210301 [1,1,0,0,0,0|1,1,0]=4 4676 B11R1.37 CSc1ccc(cc1CO)O 62a_200000210301_100012351483 [1,1,0,0,0,0|1,1,0]=4 4677 B11R1.37 CSc1ccc(cc1NN)F 62a_100012362518_200000210301 [1,1,0,0,0,0|1,1,0]=4 4678 B11R1.37 CSc1ccc(cc1NN)F 62a_200000210301_100012362518 [1,1,0,0,0,0|1,1,0]=4 4679 B11R1.37 CSc1ccc(cc1N[13CH3])Cl 34a_100000745667_200025704644 [1,1,0,0,0,0|1,1,0]=4 4680 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010201864 [1,1,0,0,0,0|1,1,0]=4 4681 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010709736 [1,1,0,0,0,0|1,1,0]=4 4682 B11R1.37 CSc1ccc(cc1SC)C 62a_200010201864_200000210301 [1,1,0,0,0,0|1,1,0]=4 4683 B11R1.37 CSc1ccc(cc1SC)C 62a_200010709736_200000210301 [1,1,0,0,0,0|1,1,0]=4 4684 B11R1.37 CSc1ccc(cc1SC)F 62a_100009817003_200000210301 [1,1,0,0,0,0|1,1,0]=4 4685 B11R1.37 CSc1ccc(cc1SC)F 62a_200000210301_100009817003 [1,1,0,0,0,0|1,1,0]=4 4686 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200010201864_200025704644 [1,1,0,0,0,0|1,1,0]=4 4687 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200025704644_200010201864 [1,1,0,0,0,0|1,1,0]=4 4688 B11R1.37 CSc1ccc(cc1S[13CH3])F 62a_100009817003_200025704644 [1,1,0,0,0,0|1,1,0]=4 4689 B11R1.37 CSc1ccc(cc1S[13CH3])F 62a_200025704644_100009817003 [1,1,0,0,0,0|1,1,0]=4 4690 B11R1.37 CSc1ncc(cc1CN)F 62a_100010760786_200000210301 [1,1,0,0,0,0|1,1,0]=4 4691 B11R1.37 CSc1ncc(cc1CN)F 62a_200000210301_100010760786 [1,1,0,0,0,0|1,1,0]=4 4692 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 34a_200012180384_200025704644 [1,1,0,0,0,0|0,0,2]=4 4693 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 7a_200012180384_200025704644 [1,1,0,0,0,0|0,0,2]=4 4694 B11R1.37 Cc1ccc(c(c1)CO)N[13CH3] 34a_100011215565_200025704644 [1,1,0,0,0,0|2,0,0]=4 4695 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 34a_200011846009_200025704644 [1,1,0,0,0,0|1,0,0]=3 4696 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 7a_200011846009_200025704644 [1,1,0,0,0,0|1,0,0]=3 4697 B11R1.37 Cc1ccc(c(c1)CO)S[13CH3] 62a_100012361352_200025704644 [1,1,0,0,0,0|1,1,0]=4 4698 B11R1.37 Cc1ccc(c(c1)CO)S[13CH3] 62a_200025704644_100012361352 [1,1,0,0,0,0|1,1,0]=4 4699 B11R1.37 Cc1ccc(c(c1)N[13CH3])CO 34a_100000087799_200025704644 [1,1,0,0,0,0|2,0,0]=4 4700 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 34a_100011640519_200025704644 [1,1,0,0,0,0|0,0,2]=4 4701 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 7a_100011640519_200025704644 [1,1,0,0,0,0|0,0,2]=4 4702 B11R1.37 Cc1ccc(c(c1)S[13CH3])NN 62a_100016996181_200025704644 [1,1,0,0,0,0|1,1,0]=4 4703 B11R1.37 Cc1ccc(c(c1)S[13CH3])NN 62a_200025704644_100016996181 [1,1,0,0,0,0|1,1,0]=4 4704 B11R1.37 Cc1ccc(c(n1)CCl)O[13CH3] 34a_100020630696_200025704644 [1,1,0,0,0,0|2,0,0]=4 4705 B11R1.37 Cc1ccc(c(n1)CCl)O[13CH3] 7a_100020630696_200025704644 [1,1,0,0,0,0|2,0,0]=4 4706 B11R1.37 Cc1ccc(c(n1)CO)O[13CH3] 34a_100000751967_200025704644 [1,1,0,0,0,0|2,0,0]=4 4707 B11R1.37 [13CH3]Nc1cc(ccc1CO)Br 34a_100000718831_200025704644 [1,1,0,0,0,0|2,0,0]=4 4708 B11R1.37 [13CH3]Nc1cc(ccc1CO)Cl 34a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 4709 B11R1.37 [13CH3]Nc1cc(ccc1CO)F 34a_100011996588_200025704644 [1,1,0,0,0,0|2,0,0]=4 4710 B11R1.37 [13CH3]Nc1ccc(cc1CO)Br 34a_100012353972_200025704644 [1,1,0,0,0,0|2,0,0]=4 4711 B11R1.37 [13CH3]Nc1ccc(cc1CO)Cl 34a_100011214999_200025704644 [1,1,0,0,0,0|2,0,0]=4 4712 B11R1.37 [13CH3]Nc1ccc(cc1CO)F 34a_100011296978_200025704644 [1,1,0,0,0,0|2,0,0]=4 4713 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 34a_100011934713_200025704644 [1,1,0,0,0,0|0,0,2]=4 4714 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 7a_100011934713_200025704644 [1,1,0,0,0,0|0,0,2]=4 4715 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 34a_100000688488_200025704644 [1,1,0,0,0,0|0,0,2]=4 4716 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 7a_100000688488_200025704644 [1,1,0,0,0,0|0,0,2]=4 4717 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 34a_100012185923_200025704644 [1,1,0,0,0,0|0,0,2]=4 4718 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 7a_100012185923_200025704644 [1,1,0,0,0,0|0,0,2]=4 4719 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 34a_100000094571_200025704644 [1,1,0,0,0,0|0,0,2]=4 4720 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 7a_100000094571_200025704644 [1,1,0,0,0,0|0,0,2]=4 4721 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 34a_100000071718_200025704644 [1,1,0,0,0,0|1,0,0]=3 4722 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 7a_100000071718_200025704644 [1,1,0,0,0,0|1,0,0]=3 4723 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Br 34a_100000687585_200025704644 [1,1,0,0,0,0|0,0,2]=4 4724 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Br 7a_100000687585_200025704644 [1,1,0,0,0,0|0,0,2]=4 4725 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Cl 34a_100011219380_200025704644 [1,1,0,0,0,0|0,0,2]=4 4726 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Cl 7a_100011219380_200025704644 [1,1,0,0,0,0|0,0,2]=4 4727 B11R1.37 [13CH3]Oc1ccc(cc1C#N)F 34a_100011900173_200025704644 [1,1,0,0,0,0|0,0,2]=4 4728 B11R1.37 [13CH3]Oc1ccc(cc1C#N)F 7a_100011900173_200025704644 [1,1,0,0,0,0|0,0,2]=4 4729 B11R1.37 [13CH3]Oc1ccc(cc1C#N)I 34a_200000049958_200025704644 [1,1,0,0,0,0|0,0,2]=4 4730 B11R1.37 [13CH3]Oc1ccc(cc1C#N)I 7a_200000049958_200025704644 [1,1,0,0,0,0|0,0,2]=4 4731 B11R1.37 [13CH3]Oc1ccc(cc1C#N)N 34a_100011249283_200025704644 [1,1,0,0,0,0|0,0,2]=4 4732 B11R1.37 [13CH3]Oc1ccc(cc1C#N)N 7a_100011249283_200025704644 [1,1,0,0,0,0|0,0,2]=4 4733 B11R1.37 [13CH3]Oc1ccc(cc1CBr)F 34a_100010161318_200025704644 [1,1,0,0,0,0|1,0,0]=3 4734 B11R1.37 [13CH3]Oc1ccc(cc1CBr)F 7a_100010161318_200025704644 [1,1,0,0,0,0|1,0,0]=3 4735 B11R1.37 [13CH3]Oc1ccc(cc1CN)Br 34a_100000730032_200025704644 [1,1,0,0,0,0|0,0,0]=2 4736 B11R1.37 [13CH3]Oc1ccc(cc1CN)Cl 34a_100000238540_200025704644 [1,1,0,0,0,0|0,0,0]=2 4737 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 34a_100000184703_200025704644 [1,1,0,0,0,0|1,0,0]=3 4738 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 7a_100000184703_200025704644 [1,1,0,0,0,0|1,0,0]=3 4739 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 34a_100011218961_200025704644 [1,1,0,0,0,0|1,0,0]=3 4740 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 7a_100011218961_200025704644 [1,1,0,0,0,0|1,0,0]=3 4741 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 34a_100011291448_200025704644 [1,1,0,0,0,0|1,0,0]=3 4742 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 7a_100011291448_200025704644 [1,1,0,0,0,0|1,0,0]=3 4743 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 34a_100000049520_200025704644 [1,1,0,0,0,0|1,0,0]=3 4744 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 7a_100000049520_200025704644 [1,1,0,0,0,0|1,0,0]=3 4745 B11R1.37 [13CH3]Sc1cc(ccc1CN)F 62a_100000708791_200025704644 [1,1,0,0,0,0|0,1,0]=3 4746 B11R1.37 [13CH3]Sc1cc(ccc1CN)F 62a_200025704644_100000708791 [1,1,0,0,0,0|0,1,0]=3 4747 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_100010146605_200025704644 [1,1,0,0,0,0|1,1,0]=4 4748 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_200025704644_100010146605 [1,1,0,0,0,0|1,1,0]=4 4749 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_100000722340_200025704644 [1,1,0,0,0,0|1,1,0]=4 4750 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_200025704644_100000722340 [1,1,0,0,0,0|1,1,0]=4 4751 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_100000744086_200025704644 [1,1,0,0,0,0|1,1,0]=4 4752 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_200025704644_100000744086 [1,1,0,0,0,0|1,1,0]=4 4753 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_100010146404_200025704644 [1,1,0,0,0,0|1,1,0]=4 4754 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_200025704644_100010146404 [1,1,0,0,0,0|1,1,0]=4 4755 B11R1.37 [13CH3]Sc1ccc(cc1CN)F 62a_100000742738_200025704644 [1,1,0,0,0,0|0,1,0]=3 4756 B11R1.37 [13CH3]Sc1ccc(cc1CN)F 62a_200025704644_100000742738 [1,1,0,0,0,0|0,1,0]=3 4757 B11R1.37 [13CH3]Sc1ccc(cc1CO)Br 62a_100011356890_200025704644 [1,1,0,0,0,0|1,1,0]=4 4758 B11R1.37 [13CH3]Sc1ccc(cc1CO)Br 62a_200025704644_100011356890 [1,1,0,0,0,0|1,1,0]=4 4759 B11R1.37 [13CH3]Sc1ccc(cc1CO)F 62a_100011217561_200025704644 [1,1,0,0,0,0|1,1,0]=4 4760 B11R1.37 [13CH3]Sc1ccc(cc1CO)F 62a_200025704644_100011217561 [1,1,0,0,0,0|1,1,0]=4 4761 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_100012347228_200025704644 [1,1,0,0,0,0|1,1,0]=4 4762 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_200025704644_100012347228 [1,1,0,0,0,0|1,1,0]=4 4763 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_100012351483_200025704644 [1,1,0,0,0,0|1,1,0]=4 4764 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_200025704644_100012351483 [1,1,0,0,0,0|1,1,0]=4 4765 B11R1.37 [13CH3]Sc1ccc(cc1NN)F 62a_100012362518_200025704644 [1,1,0,0,0,0|1,1,0]=4 4766 B11R1.37 [13CH3]Sc1ccc(cc1NN)F 62a_200025704644_100012362518 [1,1,0,0,0,0|1,1,0]=4 4767 B11R1.37 [13CH3]Sc1ncc(cc1CN)F 62a_100010760786_200025704644 [1,1,0,0,0,0|1,1,0]=4 4768 B11R1.37 [13CH3]Sc1ncc(cc1CN)F 62a_200025704644_100010760786 [1,1,0,0,0,0|1,1,0]=4 4769 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [1,1,0,0,0,0|1,0,0]=3 4770 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [1,1,0,0,0,0|1,0,0]=3 4771 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [1,1,0,0,0,0|2,0,0]=4 4772 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [1,1,0,0,0,0|1,0,1]=4 4773 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [1,1,0,0,0,0|1,0,1]=4 4774 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [1,1,0,0,0,0|2,0,0]=4 4775 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [1,1,0,0,0,0|1,0,1]=4 4776 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [1,1,0,0,0,0|0,0,1]=3 4777 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [1,1,0,0,0,0|0,1,1]=4 4778 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [1,1,0,0,0,0|2,0,0]=4 4779 B11R1.53 C=C(C)c1cccnc1CN 271570a_100000694244_100020591323 [1,1,0,0,0,0|2,0,0]=4 4780 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [1,1,0,0,0,0|1,0,1]=4 4781 B11R1.53 C=C(C)c1ccncc1CC 271570a_100000694244_100025704421 [1,1,0,0,0,0|2,0,0]=4 4782 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [1,1,0,0,0,0|1,0,1]=4 4783 B11R1.53 C=C(C)c1cnccc1CC 271570a_100000694244_100009819861 [1,1,0,0,0,0|2,0,0]=4 4784 B11R1.53 C=C(C)c1cnccc1CN 271570a_100000694244_100020640021 [1,1,0,0,0,0|2,0,0]=4 4785 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [1,1,0,0,0,0|1,0,1]=4 4786 B11R1.53 C=C(C)c1ncccc1CN 271570a_100000694244_100015189234 [1,1,0,0,0,0|2,0,0]=4 4787 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [1,1,0,0,0,0|1,0,1]=4 4788 B11R1.53 C=Cc1ccccc1C(C)C 271570a_100011290941_100011218076 [1,1,0,0,0,0|1,0,1]=4 4789 B11R1.53 C=Cc1ccccc1C(C)N 271570a_100011290941_100000181357 [1,1,0,0,0,0|1,0,1]=4 4790 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [1,1,0,0,0,0|1,0,1]=4 4791 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,1,0,0,0,0|2,0,0]=4 4792 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [1,1,0,0,0,0|0,1,1]=4 4793 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [1,1,0,0,0,0|1,0,1]=4 4794 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [1,1,0,0,0,0|1,0,1]=4 4795 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [1,1,0,0,0,0|1,0,1]=4 4796 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [1,1,0,0,0,0|1,0,0]=3 4797 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [1,1,0,0,0,0|1,0,0]=3 4798 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [1,1,0,0,0,0|1,0,0]=3 4799 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [1,1,0,0,0,0|0,0,0]=2 4800 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [1,1,0,0,0,0|0,0,0]=2 4801 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [1,1,0,0,0,0|0,1,0]=3 4802 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [1,1,0,0,0,0|0,1,0]=3 4803 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [1,1,0,0,0,0|1,1,0]=4 4804 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [1,1,0,0,0,0|1,1,0]=4 4805 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [1,1,0,0,0,0|1,0,0]=3 4806 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [1,1,0,0,0,0|1,0,0]=3 4807 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_100000181357_200025704644 [1,1,0,0,0,0|0,1,0]=3 4808 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_200025704644_100000181357 [1,1,0,0,0,0|0,1,0]=3 4809 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [1,1,0,0,0,0|1,1,0]=4 4810 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [1,1,0,0,0,0|1,1,0]=4 4811 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [1,1,0,0,0,0|1,0,0]=3 4812 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [1,1,0,0,0,0|0,0,0]=2 4813 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [1,1,0,0,0,0|0,0,0]=2 4814 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [1,1,0,0,0,0|0,1,0]=3 4815 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [1,1,0,0,0,0|0,1,0]=3 4816 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [1,1,0,0,0,0|1,1,0]=4 4817 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [1,1,0,0,0,0|1,1,0]=4 4818 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [1,1,0,0,0,0|1,0,0]=3 4819 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [1,1,0,0,0,0|1,0,0]=3 4820 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_100011290883_200025704644 [1,1,0,0,0,0|1,1,0]=4 4821 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_200025704644_100011290883 [1,1,0,0,0,0|1,1,0]=4 4822 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [1,1,0,0,0,0|1,0,1]=4 4823 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [1,1,0,0,0,0|1,0,0]=3 4824 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [1,1,0,0,0,0|1,0,0]=3 4825 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [1,1,0,0,0,0|1,0,0]=3 4826 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [1,1,0,0,0,0|1,0,0]=3 4827 B11R1.53 CNc1ccccc1C(F)F 2230a_100000734540_200000210301 [1,1,0,0,0,0|2,0,0]=4 4828 B11R1.53 CNc1ccccc1C(F)F 34a_100000734540_200000210301 [1,1,0,0,0,0|2,0,0]=4 4829 B11R1.53 CNc1ccccc1C(F)F 7a_100000734540_200000210301 [1,1,0,0,0,0|2,0,0]=4 4830 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,1,0,0,0,0|0,0,1]=3 4831 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,1,0,0,0,0|0,0,1]=3 4832 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,1,0,0,0,0|0,0,1]=3 4833 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,1,0,0,0,0|0,0,1]=3 4834 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [1,1,0,0,0,0|1,0,1]=4 4835 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [1,1,0,0,0,0|0,0,1]=3 4836 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [1,1,0,0,0,0|0,0,0]=2 4837 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [1,1,0,0,0,0|0,0,0]=2 4838 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [1,1,0,0,0,0|0,0,0]=2 4839 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [1,1,0,0,0,0|0,0,0]=2 4840 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [1,1,0,0,0,0|1,0,0]=3 4841 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [1,1,0,0,0,0|1,0,0]=3 4842 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [1,1,0,0,0,0|1,0,0]=3 4843 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [1,1,0,0,0,0|1,0,0]=3 4844 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [1,1,0,0,0,0|1,0,0]=3 4845 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [1,1,0,0,0,0|1,0,0]=3 4846 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [1,1,0,0,0,0|0,0,0]=2 4847 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [1,1,0,0,0,0|2,0,0]=4 4848 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [1,1,0,0,0,0|2,0,0]=4 4849 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [1,1,0,0,0,0|1,0,1]=4 4850 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [1,1,0,0,0,0|1,0,1]=4 4851 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [1,1,0,0,0,0|1,0,1]=4 4852 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [1,1,0,0,0,0|1,0,1]=4 4853 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [1,1,0,0,0,0|1,0,0]=3 4854 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [1,1,0,0,0,0|1,0,0]=3 4855 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [1,1,0,0,0,0|1,0,1]=4 4856 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [1,1,0,0,0,0|1,0,1]=4 4857 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [1,1,0,0,0,0|1,0,1]=4 4858 B11R1.53 COc1cnccc1C(F)F 34a_100010834524_200000210301 [1,1,0,0,0,0|2,0,0]=4 4859 B11R1.53 COc1cnccc1C(F)F 7a_100010834524_200000210301 [1,1,0,0,0,0|2,0,0]=4 4860 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [1,1,0,0,0,0|1,1,0]=4 4861 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [1,1,0,0,0,0|0,1,1]=4 4862 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [1,1,0,0,0,0|0,1,1]=4 4863 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [1,1,0,0,0,0|0,1,1]=4 4864 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [1,1,0,0,0,0|0,1,1]=4 4865 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [1,1,0,0,0,0|0,1,1]=4 4866 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [1,1,0,0,0,0|0,1,0]=3 4867 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [1,1,0,0,0,0|0,1,0]=3 4868 B11R1.53 CSc1ccccc1C(C)N 62a_100000181357_200000210301 [1,1,0,0,0,0|0,1,0]=3 4869 B11R1.53 CSc1ccccc1C(C)N 62a_200000210301_100000181357 [1,1,0,0,0,0|0,1,0]=3 4870 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [1,1,0,0,0,0|0,1,0]=3 4871 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [1,1,0,0,0,0|0,1,0]=3 4872 B11R1.53 CSc1ccccc1C(F)F 62a_100010169824_200000210301 [1,1,0,0,0,0|1,1,0]=4 4873 B11R1.53 CSc1ccccc1C(F)F 62a_200000210301_100010169824 [1,1,0,0,0,0|1,1,0]=4 4874 B11R1.53 CSc1ccccc1N(C)C 62a_100011290883_200000210301 [1,1,0,0,0,0|1,1,0]=4 4875 B11R1.53 CSc1ccccc1N(C)C 62a_200000210301_100011290883 [1,1,0,0,0,0|1,1,0]=4 4876 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [1,1,0,0,0,0|1,1,0]=4 4877 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [1,1,0,0,0,0|1,1,0]=4 4878 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [1,1,0,0,0,0|1,1,0]=4 4879 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [1,1,0,0,0,0|1,1,0]=4 4880 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [1,1,0,0,0,0|1,1,0]=4 4881 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [1,1,0,0,0,0|1,1,0]=4 4882 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [1,1,0,0,0,0|1,1,0]=4 4883 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [1,1,0,0,0,0|1,1,0]=4 4884 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [1,1,0,0,0,0|1,1,0]=4 4885 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [1,1,0,0,0,0|0,0,0]=2 4886 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [1,1,0,0,0,0|1,1,0]=4 4887 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [1,1,0,0,0,0|1,1,0]=4 4888 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,1,0,0,0,0|2,0,0]=4 4889 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [1,1,0,0,0,0|1,0,1]=4 4890 B11R1.53 [13CH3]Nc1ccccc1C(F)F 2230a_100000734540_200025704644 [1,1,0,0,0,0|2,0,0]=4 4891 B11R1.53 [13CH3]Nc1ccccc1C(F)F 34a_100000734540_200025704644 [1,1,0,0,0,0|2,0,0]=4 4892 B11R1.53 [13CH3]Nc1ccccc1C(F)F 7a_100000734540_200025704644 [1,1,0,0,0,0|2,0,0]=4 4893 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,1,0,0,0,0|0,0,1]=3 4894 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,1,0,0,0,0|0,0,1]=3 4895 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [1,1,0,0,0,0|1,0,1]=4 4896 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [1,1,0,0,0,0|0,0,1]=3 4897 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [1,1,0,0,0,0|2,0,0]=4 4898 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [1,1,0,0,0,0|2,0,0]=4 4899 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [1,1,0,0,0,0|1,0,1]=4 4900 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [1,1,0,0,0,0|1,0,1]=4 4901 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [1,1,0,0,0,0|1,0,1]=4 4902 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [1,1,0,0,0,0|1,0,1]=4 4903 B11R1.53 [13CH3]Oc1cnccc1C(F)F 34a_100010834524_200025704644 [1,1,0,0,0,0|2,0,0]=4 4904 B11R1.53 [13CH3]Oc1cnccc1C(F)F 7a_100010834524_200025704644 [1,1,0,0,0,0|2,0,0]=4 4905 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [1,1,0,0,0,0|0,1,1]=4 4906 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [1,1,0,0,0,0|0,1,1]=4 4907 B11R1.53 [13CH3]Sc1ccccc1C(F)F 62a_100010169824_200025704644 [1,1,0,0,0,0|1,1,0]=4 4908 B11R1.53 [13CH3]Sc1ccccc1C(F)F 62a_200025704644_100010169824 [1,1,0,0,0,0|1,1,0]=4 4909 B11R1.265 C=Cc1c(cccc1CC)C 271570a_100011290941_100000036235 [1,1,0,0,0,0|1,0,1]=4 4910 B11R1.265 C=Cc1c(cccc1OC)Br 271570a_100011290941_100010131421 [1,1,0,0,0,0|0,0,2]=4 4911 B11R1.265 C=Cc1c(cccc1OC)F 271570a_100011290941_100000041735 [1,1,0,0,0,0|0,0,2]=4 4912 B11R1.265 C=Cc1c(cccc1OC)N 271570a_100011290941_100000703447 [1,1,0,0,0,0|0,0,2]=4 4913 B11R1.265 C=Cc1c(cccc1OC)O 271570a_100011290941_100010202623 [1,1,0,0,0,0|0,0,2]=4 4914 B11R1.265 C=Cc1cccc(c1CN)F 271570a_100011290941_100012349121 [1,1,0,0,0,0|1,0,1]=4 4915 B11R1.265 C=Cc1cccc(c1OC)Br 271570a_100011290941_100010146560 [1,1,0,0,0,0|0,0,2]=4 4916 B11R1.265 C=Cc1cccc(c1OC)C 271570a_100011290941_100010141385 [1,1,0,0,0,0|0,0,2]=4 4917 B11R1.265 C=Cc1cccc(c1OC)Cl 271570a_100011290941_100010147678 [1,1,0,0,0,0|0,0,2]=4 4918 B11R1.265 C=Cc1cccc(c1OC)F 271570a_100011290941_100009816759 [1,1,0,0,0,0|0,0,2]=4 4919 B11R1.265 C=Cc1cccc(c1OC)N 271570a_100011290941_100011935253 [1,1,0,0,0,0|0,0,2]=4 4920 B11R1.265 C=Cc1cccc(c1OC)O 271570a_100011290941_100010234590 [1,1,0,0,0,0|0,0,2]=4 4921 B11R1.265 CCc1cccc(c1NC)C 2230a_100000210048_200000210301 [1,1,0,0,0,0|1,0,0]=3 4922 B11R1.265 CCc1cccc(c1NC)C 34a_100000210048_200000210301 [1,1,0,0,0,0|1,0,0]=3 4923 B11R1.265 CCc1cccc(c1NC)C 7a_100000210048_200000210301 [1,1,0,0,0,0|1,0,0]=3 4924 B11R1.265 CCc1cccc(c1N[13CH3])C 2230a_100000210048_200025704644 [1,1,0,0,0,0|1,0,0]=3 4925 B11R1.265 CCc1cccc(c1N[13CH3])C 34a_100000210048_200025704644 [1,1,0,0,0,0|1,0,0]=3 4926 B11R1.265 CCc1cccc(c1N[13CH3])C 7a_100000210048_200025704644 [1,1,0,0,0,0|1,0,0]=3 4927 B11R1.265 CCc1cccc(c1OC)Br 34a_200010001580_200000210301 [1,1,0,0,0,0|0,0,0]=2 4928 B11R1.265 CCc1cccc(c1OC)Br 7a_200010001580_200000210301 [1,1,0,0,0,0|0,0,0]=2 4929 B11R1.265 CCc1cccc(c1OC)C 34a_100000034007_200000210301 [1,1,0,0,0,0|0,0,0]=2 4930 B11R1.265 CCc1cccc(c1OC)C 7a_100000034007_200000210301 [1,1,0,0,0,0|0,0,0]=2 4931 B11R1.265 CCc1cccc(c1O[13CH3])Br 34a_200010001580_200025704644 [1,1,0,0,0,0|0,0,0]=2 4932 B11R1.265 CCc1cccc(c1O[13CH3])Br 7a_200010001580_200025704644 [1,1,0,0,0,0|0,0,0]=2 4933 B11R1.265 CCc1cccc(c1O[13CH3])C 34a_100000034007_200025704644 [1,1,0,0,0,0|0,0,0]=2 4934 B11R1.265 CCc1cccc(c1O[13CH3])C 7a_100000034007_200025704644 [1,1,0,0,0,0|0,0,0]=2 4935 B11R1.265 CCc1cccc(c1SC)C 62a_100000036235_200000210301 [1,1,0,0,0,0|0,1,0]=3 4936 B11R1.265 CCc1cccc(c1SC)C 62a_200000210301_100000036235 [1,1,0,0,0,0|0,1,0]=3 4937 B11R1.265 CCc1cccc(c1S[13CH3])C 62a_100000036235_200025704644 [1,1,0,0,0,0|0,1,0]=3 4938 B11R1.265 CCc1cccc(c1S[13CH3])C 62a_200025704644_100000036235 [1,1,0,0,0,0|0,1,0]=3 4939 B11R1.265 CCc1occc(=O)c1OC 34a_100000033269_200000210301 [1,1,0,0,0,0|1,0,0]=3 4940 B11R1.265 CCc1occc(=O)c1O[13CH3] 34a_100000033269_200025704644 [1,1,0,0,0,0|1,0,0]=3 4941 B11R1.265 CNc1c(cccc1CO)C 34a_100011215590_200000210301 [1,1,0,0,0,0|2,0,0]=4 4942 B11R1.265 CNc1c(cccc1CO)Cl 34a_100012182729_200000210301 [1,1,0,0,0,0|2,0,0]=4 4943 B11R1.265 CNc1c(cccc1CO)F 34a_100000692437_200000210301 [1,1,0,0,0,0|2,0,0]=4 4944 B11R1.265 CNc1c(cccc1OC)Br 34a_100000708083_200000210301 [1,1,0,0,0,0|1,0,0]=3 4945 B11R1.265 CNc1c(cccc1OC)C 2230a_100000758225_200000210301 [1,1,0,0,0,0|1,0,0]=3 4946 B11R1.265 CNc1c(cccc1OC)C 34a_100000758225_200000210301 [1,1,0,0,0,0|1,0,0]=3 4947 B11R1.265 CNc1c(cccc1OC)Cl 34a_100011309317_200000210301 [1,1,0,0,0,0|1,0,0]=3 4948 B11R1.265 CNc1c(cccc1OC)F 34a_100000686744_200000210301 [1,1,0,0,0,0|1,0,0]=3 4949 B11R1.265 CNc1c(cccc1OC)O 34a_100012022766_200000210301 [1,1,0,0,0,0|1,0,0]=3 4950 B11R1.265 CNc1c(cccc1SC)N 62a_100010510394_200000210301 [1,1,0,0,0,0|1,1,0]=4 4951 B11R1.265 CNc1c(cccc1S[13CH3])N 62a_100010510394_200025704644 [1,1,0,0,0,0|1,1,0]=4 4952 B11R1.265 CNc1cccc(c1CO)Br 34a_100000747656_200000210301 [1,1,0,0,0,0|2,0,0]=4 4953 B11R1.265 CNc1cccc(c1CO)Cl 34a_100011916388_200000210301 [1,1,0,0,0,0|2,0,0]=4 4954 B11R1.265 CNc1cccc(c1CO)F 34a_100011846719_200000210301 [1,1,0,0,0,0|2,0,0]=4 4955 B11R1.265 CNc1cccc(c1OC)Br 34a_100011935253_200000210301 [1,1,0,0,0,0|1,0,0]=3 4956 B11R1.265 CNc1cccc(c1OC)C 34a_100012017360_200000210301 [1,1,0,0,0,0|1,0,0]=3 4957 B11R1.265 CNc1cccc(c1OC)Cl 2230a_100000743799_200000210301 [1,1,0,0,0,0|1,0,0]=3 4958 B11R1.265 CNc1cccc(c1OC)Cl 34a_100000743799_200000210301 [1,1,0,0,0,0|1,0,0]=3 4959 B11R1.265 CNc1cccc(c1OC)F 34a_100011215007_200000210301 [1,1,0,0,0,0|1,0,0]=3 4960 B11R1.265 COc1c(cccc1C#N)Br 34a_100009817103_200000210301 [1,1,0,0,0,0|0,0,2]=4 4961 B11R1.265 COc1c(cccc1C#N)C 34a_100011659161_200000210301 [1,1,0,0,0,0|0,0,2]=4 4962 B11R1.265 COc1c(cccc1C#N)C 7a_100011659161_200000210301 [1,1,0,0,0,0|0,0,2]=4 4963 B11R1.265 COc1c(cccc1C#N)Cl 34a_100009866432_200000210301 [1,1,0,0,0,0|0,0,2]=4 4964 B11R1.265 COc1c(cccc1C#N)Cl 7a_100009866432_200000210301 [1,1,0,0,0,0|0,0,2]=4 4965 B11R1.265 COc1c(cccc1C#N)F 34a_100000117915_200000210301 [1,1,0,0,0,0|0,0,2]=4 4966 B11R1.265 COc1c(cccc1C#N)F 7a_100000117915_200000210301 [1,1,0,0,0,0|0,0,2]=4 4967 B11R1.265 COc1c(cccc1C#N)O 271570a_203496583355_100009817008 [1,1,0,0,0,0|0,0,2]=4 4968 B11R1.265 COc1c(cccc1C=O)O 271570a_203496583355_100000692592 [1,1,0,0,0,0|1,0,1]=4 4969 B11R1.265 COc1c(cccc1CN)C 34a_100020639391_200000210301 [1,1,0,0,0,0|0,0,0]=2 4970 B11R1.265 COc1c(cccc1CO)F 34a_100011997349_200000210301 [1,1,0,0,0,0|1,0,0]=3 4971 B11R1.265 COc1c(cccc1CO)F 7a_100011997349_200000210301 [1,1,0,0,0,0|1,0,0]=3 4972 B11R1.265 COc1c(cccc1CO)O 271570a_203496583355_100000704359 [1,1,0,0,0,0|1,0,0]=3 4973 B11R1.265 COc1c(cccc1N[13CH3])Br 34a_100011935253_200025704644 [1,1,0,0,0,0|1,0,0]=3 4974 B11R1.265 COc1c(cccc1N[13CH3])C 34a_100012017360_200025704644 [1,1,0,0,0,0|1,0,0]=3 4975 B11R1.265 COc1c(cccc1N[13CH3])Cl 2230a_100000743799_200025704644 [1,1,0,0,0,0|1,0,0]=3 4976 B11R1.265 COc1c(cccc1N[13CH3])Cl 34a_100000743799_200025704644 [1,1,0,0,0,0|1,0,0]=3 4977 B11R1.265 COc1c(cccc1N[13CH3])F 34a_100011215007_200025704644 [1,1,0,0,0,0|1,0,0]=3 4978 B11R1.265 COc1c(cccc1O[13CH3])Br 34a_100010234590_200025704644 [1,1,0,0,0,0|1,0,0]=3 4979 B11R1.265 COc1c(cccc1O[13CH3])Cl 34a_200009886253_200025704644 [1,1,0,0,0,0|1,0,0]=3 4980 B11R1.265 COc1c(cccc1O[13CH3])Cl 7a_200009886253_200025704644 [1,1,0,0,0,0|1,0,0]=3 4981 B11R1.265 COc1c(cccc1SC)Br 62a_100010146560_200000210301 [1,1,0,0,0,0|1,0,0]=3 4982 B11R1.265 COc1c(cccc1SC)Br 62a_200000210301_100010146560 [1,1,0,0,0,0|1,0,0]=3 4983 B11R1.265 COc1c(cccc1SC)C 62a_100010141385_200000210301 [1,1,0,0,0,0|1,0,0]=3 4984 B11R1.265 COc1c(cccc1SC)C 62a_200000210301_100010141385 [1,1,0,0,0,0|1,0,0]=3 4985 B11R1.265 COc1c(cccc1SC)Cl 62a_100010147678_200000210301 [1,1,0,0,0,0|1,0,0]=3 4986 B11R1.265 COc1c(cccc1SC)Cl 62a_200000210301_100010147678 [1,1,0,0,0,0|1,0,0]=3 4987 B11R1.265 COc1c(cccc1SC)F 62a_100009816759_200000210301 [1,1,0,0,0,0|1,0,0]=3 4988 B11R1.265 COc1c(cccc1SC)F 62a_200000210301_100009816759 [1,1,0,0,0,0|1,0,0]=3 4989 B11R1.265 COc1c(cccc1SC)N 62a_100011935253_200000210301 [1,1,0,0,0,0|1,0,0]=3 4990 B11R1.265 COc1c(cccc1SC)O 62a_200000210301_100010234590 [1,1,0,0,0,0|1,0,0]=3 4991 B11R1.265 COc1c(cccc1S[13CH3])Br 62a_100010146560_200025704644 [1,1,0,0,0,0|1,0,0]=3 4992 B11R1.265 COc1c(cccc1S[13CH3])Br 62a_200025704644_100010146560 [1,1,0,0,0,0|1,0,0]=3 4993 B11R1.265 COc1c(cccc1S[13CH3])C 62a_100010141385_200025704644 [1,1,0,0,0,0|1,0,0]=3 4994 B11R1.265 COc1c(cccc1S[13CH3])C 62a_200025704644_100010141385 [1,1,0,0,0,0|1,0,0]=3 4995 B11R1.265 COc1c(cccc1S[13CH3])Cl 62a_100010147678_200025704644 [1,1,0,0,0,0|1,0,0]=3 4996 B11R1.265 COc1c(cccc1S[13CH3])Cl 62a_200025704644_100010147678 [1,1,0,0,0,0|1,0,0]=3 4997 B11R1.265 COc1c(cccc1S[13CH3])F 62a_100009816759_200025704644 [1,1,0,0,0,0|1,0,0]=3 4998 B11R1.265 COc1c(cccc1S[13CH3])F 62a_200025704644_100009816759 [1,1,0,0,0,0|1,0,0]=3 4999 B11R1.265 COc1c(cccc1S[13CH3])N 62a_100011935253_200025704644 [1,1,0,0,0,0|1,0,0]=3 5000 B11R1.265 COc1c(cccc1S[13CH3])O 62a_200025704644_100010234590 [1,1,0,0,0,0|1,0,0]=3 5001 B11R1.265 COc1c(ccnc1C)SC 62a_100000685116_200000210301 [1,1,0,0,0,0|2,0,0]=4 5002 B11R1.265 COc1c(ccnc1C)SC 62a_200000210301_100000685116 [1,1,0,0,0,0|2,0,0]=4 5003 B11R1.265 COc1c(ccnc1C)S[13CH3] 62a_100000685116_200025704644 [1,1,0,0,0,0|2,0,0]=4 5004 B11R1.265 COc1c(ccnc1C)S[13CH3] 62a_200025704644_100000685116 [1,1,0,0,0,0|2,0,0]=4 5005 B11R1.265 COc1c(ccnc1CO)O 271570a_203496583355_100009869429 [1,1,0,0,0,0|2,0,0]=4 5006 B11R1.265 COc1c(ccnc1Cl)O[13CH3] 34a_100000104430_200025704644 [1,1,0,0,0,0|2,0,0]=4 5007 B11R1.265 COc1c(ccnc1Cl)SC 62a_100010068014_200000210301 [1,1,0,0,0,0|2,0,0]=4 5008 B11R1.265 COc1c(ccnc1Cl)SC 62a_200000210301_100010068014 [1,1,0,0,0,0|2,0,0]=4 5009 B11R1.265 COc1c(ccnc1Cl)S[13CH3] 62a_100010068014_200025704644 [1,1,0,0,0,0|2,0,0]=4 5010 B11R1.265 COc1c(ccnc1Cl)S[13CH3] 62a_200025704644_100010068014 [1,1,0,0,0,0|2,0,0]=4 5011 B11R1.265 COc1c(ccnc1N)SC 62a_100009880012_200000210301 [1,1,0,0,0,0|2,0,0]=4 5012 B11R1.265 COc1c(ccnc1N)SC 62a_200000210301_100009880012 [1,1,0,0,0,0|2,0,0]=4 5013 B11R1.265 COc1c(ccnc1N)S[13CH3] 62a_100009880012_200025704644 [1,1,0,0,0,0|2,0,0]=4 5014 B11R1.265 COc1c(ccnc1N)S[13CH3] 62a_200025704644_100009880012 [1,1,0,0,0,0|2,0,0]=4 5015 B11R1.265 COc1c(ccnc1SC)N 62a_100000104429_200000210301 [1,1,0,0,0,0|2,0,0]=4 5016 B11R1.265 COc1c(ccnc1SC)N 62a_200000210301_100000104429 [1,1,0,0,0,0|2,0,0]=4 5017 B11R1.265 COc1c(ccnc1SC)O 62a_200000210301_100000104430 [1,1,0,0,0,0|2,0,0]=4 5018 B11R1.265 COc1c(ccnc1S[13CH3])N 62a_100000104429_200025704644 [1,1,0,0,0,0|2,0,0]=4 5019 B11R1.265 COc1c(ccnc1S[13CH3])N 62a_200025704644_100000104429 [1,1,0,0,0,0|2,0,0]=4 5020 B11R1.265 COc1c(ccnc1S[13CH3])O 62a_200025704644_100000104430 [1,1,0,0,0,0|2,0,0]=4 5021 B11R1.265 COc1c(cncc1SC)N 62a_100012359933_200000210301 [1,1,0,0,0,0|2,0,0]=4 5022 B11R1.265 COc1c(cncc1SC)N 62a_200000210301_100012359933 [1,1,0,0,0,0|2,0,0]=4 5023 B11R1.265 COc1c(cncc1S[13CH3])N 62a_100012359933_200025704644 [1,1,0,0,0,0|2,0,0]=4 5024 B11R1.265 COc1c(cncc1S[13CH3])N 62a_200025704644_100012359933 [1,1,0,0,0,0|2,0,0]=4 5025 B11R1.265 COc1cccc(c1C#N)Br 34a_100012180507_200000210301 [1,1,0,0,0,0|0,0,2]=4 5026 B11R1.265 COc1cccc(c1C#N)Br 7a_100012180507_200000210301 [1,1,0,0,0,0|0,0,2]=4 5027 B11R1.265 COc1cccc(c1C#N)C 34a_100000079363_200000210301 [1,1,0,0,0,0|0,0,2]=4 5028 B11R1.265 COc1cccc(c1C#N)C 7a_100000079363_200000210301 [1,1,0,0,0,0|0,0,2]=4 5029 B11R1.265 COc1cccc(c1C#N)Cl 34a_100000764475_200000210301 [1,1,0,0,0,0|0,0,2]=4 5030 B11R1.265 COc1cccc(c1C#N)Cl 7a_100000764475_200000210301 [1,1,0,0,0,0|0,0,2]=4 5031 B11R1.265 COc1cccc(c1C#N)F 34a_100000741147_200000210301 [1,1,0,0,0,0|0,0,2]=4 5032 B11R1.265 COc1cccc(c1C#N)F 7a_100000741147_200000210301 [1,1,0,0,0,0|0,0,2]=4 5033 B11R1.265 COc1cccc(c1C#N)O 271570a_203496583355_100012356440 [1,1,0,0,0,0|0,0,2]=4 5034 B11R1.265 COc1cccc(c1C=O)O 271570a_203496583355_100009814803 [1,1,0,0,0,0|1,0,1]=4 5035 B11R1.265 COc1cccc(c1CO)C 34a_200009874777_200000210301 [1,1,0,0,0,0|1,0,0]=3 5036 B11R1.265 COc1cccc(c1CO)C 7a_200009874777_200000210301 [1,1,0,0,0,0|1,0,0]=3 5037 B11R1.265 COc1cccc(c1N[13CH3])Br 34a_100000708083_200025704644 [1,1,0,0,0,0|1,0,0]=3 5038 B11R1.265 COc1cccc(c1N[13CH3])C 2230a_100000758225_200025704644 [1,1,0,0,0,0|1,0,0]=3 5039 B11R1.265 COc1cccc(c1N[13CH3])C 34a_100000758225_200025704644 [1,1,0,0,0,0|1,0,0]=3 5040 B11R1.265 COc1cccc(c1N[13CH3])Cl 34a_100011309317_200025704644 [1,1,0,0,0,0|1,0,0]=3 5041 B11R1.265 COc1cccc(c1N[13CH3])F 34a_100000686744_200025704644 [1,1,0,0,0,0|1,0,0]=3 5042 B11R1.265 COc1cccc(c1N[13CH3])O 34a_100012022766_200025704644 [1,1,0,0,0,0|1,0,0]=3 5043 B11R1.265 COc1cccc(c1OC)Br 34a_100000686866_200000210301 [1,1,0,0,0,0|1,0,0]=3 5044 B11R1.265 COc1cccc(c1OC)Br 34a_100010234590_200000210301 [1,1,0,0,0,0|1,0,0]=3 5045 B11R1.265 COc1cccc(c1OC)C 34a_100011219253_200000210301 [1,1,0,0,0,0|1,0,0]=3 5046 B11R1.265 COc1cccc(c1OC)C 7a_100011219253_200000210301 [1,1,0,0,0,0|1,0,0]=3 5047 B11R1.265 COc1cccc(c1OC)Cl 34a_100009851661_200000210301 [1,1,0,0,0,0|1,0,0]=3 5048 B11R1.265 COc1cccc(c1OC)Cl 34a_200009886253_200000210301 [1,1,0,0,0,0|1,0,0]=3 5049 B11R1.265 COc1cccc(c1OC)Cl 7a_100009851661_200000210301 [1,1,0,0,0,0|1,0,0]=3 5050 B11R1.265 COc1cccc(c1OC)Cl 7a_200009886253_200000210301 [1,1,0,0,0,0|1,0,0]=3 5051 B11R1.265 COc1cccc(c1OC)F 34a_100000036725_200000210301 [1,1,0,0,0,0|1,0,0]=3 5052 B11R1.265 COc1cccc(c1OC)F 7a_100000036725_200000210301 [1,1,0,0,0,0|1,0,0]=3 5053 B11R1.265 COc1cccc(c1OC)N 34a_100000123586_200000210301 [1,1,0,0,0,0|1,0,0]=3 5054 B11R1.265 COc1cccc(c1OC)O 271570a_203496583355_100009815961 [1,1,0,0,0,0|1,0,0]=3 5055 B11R1.265 COc1cccc(c1O[13CH3])Br 34a_100000686866_200025704644 [1,1,0,0,0,0|1,0,0]=3 5056 B11R1.265 COc1cccc(c1O[13CH3])C 34a_100011219253_200025704644 [1,1,0,0,0,0|1,0,0]=3 5057 B11R1.265 COc1cccc(c1O[13CH3])C 7a_100011219253_200025704644 [1,1,0,0,0,0|1,0,0]=3 5058 B11R1.265 COc1cccc(c1O[13CH3])Cl 34a_100009851661_200025704644 [1,1,0,0,0,0|1,0,0]=3 5059 B11R1.265 COc1cccc(c1O[13CH3])Cl 7a_100009851661_200025704644 [1,1,0,0,0,0|1,0,0]=3 5060 B11R1.265 COc1cccc(c1O[13CH3])F 34a_100000036725_200025704644 [1,1,0,0,0,0|1,0,0]=3 5061 B11R1.265 COc1cccc(c1O[13CH3])F 7a_100000036725_200025704644 [1,1,0,0,0,0|1,0,0]=3 5062 B11R1.265 COc1cccc(c1O[13CH3])N 34a_100000123586_200025704644 [1,1,0,0,0,0|1,0,0]=3 5063 B11R1.265 COc1cccc(c1SC)Br 62a_100010131421_200000210301 [1,1,0,0,0,0|1,0,0]=3 5064 B11R1.265 COc1cccc(c1SC)Br 62a_200000210301_100010131421 [1,1,0,0,0,0|1,0,0]=3 5065 B11R1.265 COc1cccc(c1SC)C 34a_200000099257_200000210301 [1,1,0,0,0,0|1,0,0]=3 5066 B11R1.265 COc1cccc(c1SC)C 62a_100010191535_200000210301 [1,1,0,0,0,0|1,0,0]=3 5067 B11R1.265 COc1cccc(c1SC)C 62a_200000210301_100010191535 [1,1,0,0,0,0|1,0,0]=3 5068 B11R1.265 COc1cccc(c1SC)C 7a_200000099257_200000210301 [1,1,0,0,0,0|1,0,0]=3 5069 B11R1.265 COc1cccc(c1SC)F 62a_100000703912_200000210301 [1,1,0,0,0,0|1,0,0]=3 5070 B11R1.265 COc1cccc(c1SC)F 62a_200000210301_100000703912 [1,1,0,0,0,0|1,0,0]=3 5071 B11R1.265 COc1cccc(c1SC)N 62a_100000703447_200000210301 [1,1,0,0,0,0|1,0,0]=3 5072 B11R1.265 COc1cccc(c1SC)N 62a_200000210301_100000703447 [1,1,0,0,0,0|1,0,0]=3 5073 B11R1.265 COc1cccc(c1SC)O 62a_200000210301_100010202623 [1,1,0,0,0,0|1,0,0]=3 5074 B11R1.265 COc1cccc(c1S[13CH3])Br 62a_100010131421_200025704644 [1,1,0,0,0,0|1,0,0]=3 5075 B11R1.265 COc1cccc(c1S[13CH3])Br 62a_200025704644_100010131421 [1,1,0,0,0,0|1,0,0]=3 5076 B11R1.265 COc1cccc(c1S[13CH3])C 62a_100010191535_200025704644 [1,1,0,0,0,0|1,0,0]=3 5077 B11R1.265 COc1cccc(c1S[13CH3])C 62a_200025704644_100010191535 [1,1,0,0,0,0|1,0,0]=3 5078 B11R1.265 COc1cccc(c1S[13CH3])F 62a_100000703912_200025704644 [1,1,0,0,0,0|1,0,0]=3 5079 B11R1.265 COc1cccc(c1S[13CH3])F 62a_200025704644_100000703912 [1,1,0,0,0,0|1,0,0]=3 5080 B11R1.265 COc1cccc(c1S[13CH3])N 62a_100000703447_200025704644 [1,1,0,0,0,0|1,0,0]=3 5081 B11R1.265 COc1cccc(c1S[13CH3])N 62a_200025704644_100000703447 [1,1,0,0,0,0|1,0,0]=3 5082 B11R1.265 COc1cccc(c1S[13CH3])O 62a_200025704644_100010202623 [1,1,0,0,0,0|1,0,0]=3 5083 B11R1.265 COc1ccnc(c1OC)Cl 34a_100000104430_200000210301 [1,1,0,0,0,0|2,0,0]=4 5084 B11R1.265 COc1ccnc(c1SC)Cl 62a_100010154655_200000210301 [1,1,0,0,0,0|2,0,0]=4 5085 B11R1.265 COc1ccnc(c1SC)Cl 62a_200000210301_100010154655 [1,1,0,0,0,0|2,0,0]=4 5086 B11R1.265 COc1ccnc(c1S[13CH3])Cl 62a_100010154655_200025704644 [1,1,0,0,0,0|2,0,0]=4 5087 B11R1.265 COc1ccnc(c1S[13CH3])Cl 62a_200025704644_100010154655 [1,1,0,0,0,0|2,0,0]=4 5088 B11R1.265 COc1nccc(c1SC)C 62a_100012353928_200000210301 [1,1,0,0,0,0|2,0,0]=4 5089 B11R1.265 COc1nccc(c1SC)C 62a_200000210301_100012353928 [1,1,0,0,0,0|2,0,0]=4 5090 B11R1.265 COc1nccc(c1SC)N 62a_100010243811_200000210301 [1,1,0,0,0,0|2,0,0]=4 5091 B11R1.265 COc1nccc(c1SC)N 62a_200000210301_100010243811 [1,1,0,0,0,0|2,0,0]=4 5092 B11R1.265 COc1nccc(c1S[13CH3])C 62a_100012353928_200025704644 [1,1,0,0,0,0|2,0,0]=4 5093 B11R1.265 COc1nccc(c1S[13CH3])C 62a_200025704644_100012353928 [1,1,0,0,0,0|2,0,0]=4 5094 B11R1.265 COc1nccc(c1S[13CH3])N 62a_100010243811_200025704644 [1,1,0,0,0,0|2,0,0]=4 5095 B11R1.265 COc1nccc(c1S[13CH3])N 62a_200025704644_100010243811 [1,1,0,0,0,0|2,0,0]=4 5096 B11R1.265 CSc1c(cccc1CN)F 62a_100020638964_200000210301 [1,1,0,0,0,0|0,1,0]=3 5097 B11R1.265 CSc1c(cccc1CN)F 62a_200000210301_100020638964 [1,1,0,0,0,0|0,1,0]=3 5098 B11R1.265 CSc1c(cccc1CO)Br 62a_100010146604_200000210301 [1,1,0,0,0,0|1,1,0]=4 5099 B11R1.265 CSc1c(cccc1CO)Br 62a_200000210301_100010146604 [1,1,0,0,0,0|1,1,0]=4 5100 B11R1.265 CSc1c(cccc1CO)C 62a_100011659289_200000210301 [1,1,0,0,0,0|1,1,0]=4 5101 B11R1.265 CSc1c(cccc1CO)C 62a_200000210301_100011659289 [1,1,0,0,0,0|1,1,0]=4 5102 B11R1.265 CSc1c(cccc1CO)F 62a_100012351117_200000210301 [1,1,0,0,0,0|1,1,0]=4 5103 B11R1.265 CSc1c(cccc1CO)F 62a_200000210301_100012351117 [1,1,0,0,0,0|1,1,0]=4 5104 B11R1.265 CSc1c(cccc1O[13CH3])C 34a_200000099257_200025704644 [1,1,0,0,0,0|1,0,0]=3 5105 B11R1.265 CSc1c(cccc1O[13CH3])C 7a_200000099257_200025704644 [1,1,0,0,0,0|1,0,0]=3 5106 B11R1.265 CSc1c(cccc1S[13CH3])F 62a_200010709249_200025704644 [1,1,0,0,0,0|1,1,0]=4 5107 B11R1.265 CSc1c(cccc1S[13CH3])F 62a_200025704644_200010709249 [1,1,0,0,0,0|1,1,0]=4 5108 B11R1.265 CSc1cccc(c1CN)F 62a_100012349121_200000210301 [1,1,0,0,0,0|0,1,0]=3 5109 B11R1.265 CSc1cccc(c1CN)F 62a_200000210301_100012349121 [1,1,0,0,0,0|0,1,0]=3 5110 B11R1.265 CSc1cccc(c1CO)F 62a_100012355691_200000210301 [1,1,0,0,0,0|1,1,0]=4 5111 B11R1.265 CSc1cccc(c1CO)F 62a_200000210301_100012355691 [1,1,0,0,0,0|1,1,0]=4 5112 B11R1.265 CSc1cccc(c1CO)N 62a_100000747656_200000210301 [1,1,0,0,0,0|1,1,0]=4 5113 B11R1.265 CSc1cccc(c1CO)N 62a_200000210301_100000747656 [1,1,0,0,0,0|1,1,0]=4 5114 B11R1.265 CSc1cccc(c1NN)F 62a_100016994982_200000210301 [1,1,0,0,0,0|1,1,0]=4 5115 B11R1.265 CSc1cccc(c1NN)F 62a_200000210301_100016994982 [1,1,0,0,0,0|1,1,0]=4 5116 B11R1.265 CSc1cccc(c1SC)F 62a_200000210301_200010709249 [1,1,0,0,0,0|1,1,0]=4 5117 B11R1.265 CSc1cccc(c1SC)F 62a_200010709249_200000210301 [1,1,0,0,0,0|1,1,0]=4 5118 B11R1.265 Cc1cccc(c1C#N)O[13CH3] 34a_100000079363_200025704644 [1,1,0,0,0,0|0,0,2]=4 5119 B11R1.265 Cc1cccc(c1C#N)O[13CH3] 7a_100000079363_200025704644 [1,1,0,0,0,0|0,0,2]=4 5120 B11R1.265 Cc1cccc(c1CO)O[13CH3] 34a_200009874777_200025704644 [1,1,0,0,0,0|1,0,0]=3 5121 B11R1.265 Cc1cccc(c1CO)O[13CH3] 7a_200009874777_200025704644 [1,1,0,0,0,0|1,0,0]=3 5122 B11R1.265 Cc1cccc(c1N[13CH3])CO 34a_100011215590_200025704644 [1,1,0,0,0,0|2,0,0]=4 5123 B11R1.265 Cc1cccc(c1O[13CH3])C#N 34a_100011659161_200025704644 [1,1,0,0,0,0|0,0,2]=4 5124 B11R1.265 Cc1cccc(c1O[13CH3])C#N 7a_100011659161_200025704644 [1,1,0,0,0,0|0,0,2]=4 5125 B11R1.265 Cc1cccc(c1O[13CH3])CN 34a_100020639391_200025704644 [1,1,0,0,0,0|0,0,0]=2 5126 B11R1.265 Cc1cccc(c1S[13CH3])CO 62a_100011659289_200025704644 [1,1,0,0,0,0|1,1,0]=4 5127 B11R1.265 Cc1cccc(c1S[13CH3])CO 62a_200025704644_100011659289 [1,1,0,0,0,0|1,1,0]=4 5128 B11R1.265 [13CH3]Nc1c(cccc1CO)Cl 34a_100012182729_200025704644 [1,1,0,0,0,0|2,0,0]=4 5129 B11R1.265 [13CH3]Nc1c(cccc1CO)F 34a_100000692437_200025704644 [1,1,0,0,0,0|2,0,0]=4 5130 B11R1.265 [13CH3]Nc1cccc(c1CO)Br 34a_100000747656_200025704644 [1,1,0,0,0,0|2,0,0]=4 5131 B11R1.265 [13CH3]Nc1cccc(c1CO)Cl 34a_100011916388_200025704644 [1,1,0,0,0,0|2,0,0]=4 5132 B11R1.265 [13CH3]Nc1cccc(c1CO)F 34a_100011846719_200025704644 [1,1,0,0,0,0|2,0,0]=4 5133 B11R1.265 [13CH3]Oc1c(cccc1C#N)Br 34a_100009817103_200025704644 [1,1,0,0,0,0|0,0,2]=4 5134 B11R1.265 [13CH3]Oc1c(cccc1C#N)Cl 34a_100009866432_200025704644 [1,1,0,0,0,0|0,0,2]=4 5135 B11R1.265 [13CH3]Oc1c(cccc1C#N)Cl 7a_100009866432_200025704644 [1,1,0,0,0,0|0,0,2]=4 5136 B11R1.265 [13CH3]Oc1c(cccc1C#N)F 34a_100000117915_200025704644 [1,1,0,0,0,0|0,0,2]=4 5137 B11R1.265 [13CH3]Oc1c(cccc1C#N)F 7a_100000117915_200025704644 [1,1,0,0,0,0|0,0,2]=4 5138 B11R1.265 [13CH3]Oc1c(cccc1CO)F 34a_100011997349_200025704644 [1,1,0,0,0,0|1,0,0]=3 5139 B11R1.265 [13CH3]Oc1c(cccc1CO)F 7a_100011997349_200025704644 [1,1,0,0,0,0|1,0,0]=3 5140 B11R1.265 [13CH3]Oc1cccc(c1C#N)Br 34a_100012180507_200025704644 [1,1,0,0,0,0|0,0,2]=4 5141 B11R1.265 [13CH3]Oc1cccc(c1C#N)Br 7a_100012180507_200025704644 [1,1,0,0,0,0|0,0,2]=4 5142 B11R1.265 [13CH3]Oc1cccc(c1C#N)Cl 34a_100000764475_200025704644 [1,1,0,0,0,0|0,0,2]=4 5143 B11R1.265 [13CH3]Oc1cccc(c1C#N)Cl 7a_100000764475_200025704644 [1,1,0,0,0,0|0,0,2]=4 5144 B11R1.265 [13CH3]Oc1cccc(c1C#N)F 34a_100000741147_200025704644 [1,1,0,0,0,0|0,0,2]=4 5145 B11R1.265 [13CH3]Oc1cccc(c1C#N)F 7a_100000741147_200025704644 [1,1,0,0,0,0|0,0,2]=4 5146 B11R1.265 [13CH3]Sc1c(cccc1CN)F 62a_100020638964_200025704644 [1,1,0,0,0,0|0,1,0]=3 5147 B11R1.265 [13CH3]Sc1c(cccc1CN)F 62a_200025704644_100020638964 [1,1,0,0,0,0|0,1,0]=3 5148 B11R1.265 [13CH3]Sc1c(cccc1CO)Br 62a_100010146604_200025704644 [1,1,0,0,0,0|1,1,0]=4 5149 B11R1.265 [13CH3]Sc1c(cccc1CO)Br 62a_200025704644_100010146604 [1,1,0,0,0,0|1,1,0]=4 5150 B11R1.265 [13CH3]Sc1c(cccc1CO)F 62a_100012351117_200025704644 [1,1,0,0,0,0|1,1,0]=4 5151 B11R1.265 [13CH3]Sc1c(cccc1CO)F 62a_200025704644_100012351117 [1,1,0,0,0,0|1,1,0]=4 5152 B11R1.265 [13CH3]Sc1cccc(c1CN)F 62a_100012349121_200025704644 [1,1,0,0,0,0|0,1,0]=3 5153 B11R1.265 [13CH3]Sc1cccc(c1CN)F 62a_200025704644_100012349121 [1,1,0,0,0,0|0,1,0]=3 5154 B11R1.265 [13CH3]Sc1cccc(c1CO)F 62a_100012355691_200025704644 [1,1,0,0,0,0|1,1,0]=4 5155 B11R1.265 [13CH3]Sc1cccc(c1CO)F 62a_200025704644_100012355691 [1,1,0,0,0,0|1,1,0]=4 5156 B11R1.265 [13CH3]Sc1cccc(c1CO)N 62a_100000747656_200025704644 [1,1,0,0,0,0|1,1,0]=4 5157 B11R1.265 [13CH3]Sc1cccc(c1CO)N 62a_200025704644_100000747656 [1,1,0,0,0,0|1,1,0]=4 5158 B11R1.265 [13CH3]Sc1cccc(c1NN)F 62a_100016994982_200025704644 [1,1,0,0,0,0|1,1,0]=4 5159 B11R1.265 [13CH3]Sc1cccc(c1NN)F 62a_200025704644_100016994982 [1,1,0,0,0,0|1,1,0]=4 5160 B11R1.18 CCNCc1occc1OC 207a_100015525214_200009856553 [0,1,0,0,1,0|2,0,0]=4 5161 B11R1.18 CCNCc1occc1OC 270004a_100015525214_200009856553 [0,1,0,0,1,0|2,0,0]=4 5162 B11R1.18 CCNCc1sccc1OC 207a_100015525214_100000689126 [0,1,0,0,1,0|2,0,0]=4 5163 B11R1.18 CCNCc1sccc1OC 270004a_100015525214_100000689126 [0,1,0,0,1,0|2,0,0]=4 5164 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100000070787_100012359436 [0,2,0,0,0,0|1,0,1]=4 5165 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100010245118_200000210301 [0,2,0,0,0,0|1,0,1]=4 5166 B13R1.51 COc1cc(ccc1CC(=O)C)Cl 1458a_100010217541_200000210301 [0,2,0,0,0,0|1,0,1]=4 5167 B13R1.51 COc1cc(ccc1CC(=O)C)F 1458a_100000062011_200000210301 [0,2,0,0,0,0|1,0,1]=4 5168 B13R1.51 COc1cc(ccc1CC(=O)C)F 1458a_100000070787_200010171551 [0,2,0,0,0,0|1,0,1]=4 5169 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Br 1458a_100010245118_200025704644 [0,2,0,0,0,0|1,0,1]=4 5170 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Cl 1458a_100010217541_200025704644 [0,2,0,0,0,0|1,0,1]=4 5171 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])F 1458a_100000062011_200025704644 [0,2,0,0,0,0|1,0,1]=4 5172 B13R1.51 COc1cc(ccc1CN(C)C)Br 2230a_100102631434_100012359436 [0,2,0,0,0,0|2,0,0]=4 5173 B13R1.51 COc1cc(ccc1CN(C)C)Br 269982a_100102631434_100012359436 [0,2,0,0,0,0|2,0,0]=4 5174 B13R1.51 COc1cc(ccc1CN(C)C)Br 270004a_100102631434_100000697075 [0,2,0,0,0,0|2,0,0]=4 5175 B13R1.51 COc1cc(ccc1CN(C)C)C 270004a_100102631434_100000689369 [0,2,0,0,0,0|2,0,0]=4 5176 B13R1.51 COc1cc(ccc1CN(C)C)Cl 270004a_100102631434_100000235374 [0,2,0,0,0,0|2,0,0]=4 5177 B13R1.51 COc1cc(ccc1CN(C)C)F 2230a_100102631434_200010171551 [0,2,0,0,0,0|2,0,0]=4 5178 B13R1.51 COc1cc(ccc1CN(C)C)F 269982a_100102631434_200010171551 [0,2,0,0,0,0|2,0,0]=4 5179 B13R1.51 COc1cc(ccc1CN(C)C)F 270004a_100102631434_100000042785 [0,2,0,0,0,0|2,0,0]=4 5180 B13R1.51 COc1cc(ccc1NC(C)C)Br 34a_100011279103_100000210206 [0,2,0,0,0,0|2,0,0]=4 5181 B13R1.51 COc1cc(ccc1NC(C)C)C 2230a_100000746441_100000210206 [0,2,0,0,0,0|2,0,0]=4 5182 B13R1.51 COc1cc(ccc1NC(C)C)C 34a_100000746441_100000210206 [0,2,0,0,0,0|2,0,0]=4 5183 B13R1.51 COc1cc(ccc1NC(C)C)Cl 34a_100000707585_100000210206 [0,2,0,0,0,0|2,0,0]=4 5184 B13R1.51 COc1cc(ccc1NC(C)C)F 34a_100000737216_100000210206 [0,2,0,0,0,0|2,0,0]=4 5185 B13R1.51 COc1cc(ccc1NC(C)C)I 34a_100015196925_100000210206 [0,2,0,0,0,0|2,0,0]=4 5186 B13R1.51 COc1cc(ccc1NC(C)C)O 34a_100015326901_100000210206 [0,2,0,0,0,0|2,0,0]=4 5187 B13R1.51 COc1cc(ccc1OC(C)C)Br 34a_100000694246_100000210206 [0,2,0,0,0,0|2,0,0]=4 5188 B13R1.51 COc1cc(ccc1OC(C)C)Br 7a_100000694246_100000210206 [0,2,0,0,0,0|2,0,0]=4 5189 B13R1.51 COc1cc(ccc1OC(C)C)C 34a_100000186466_100000210206 [0,2,0,0,0,0|2,0,0]=4 5190 B13R1.51 COc1cc(ccc1OC(C)C)Cl 34a_100000033002_100000210206 [0,2,0,0,0,0|2,0,0]=4 5191 B13R1.51 COc1cc(ccc1OC(C)C)F 34a_100000036057_100000210206 [0,2,0,0,0,0|2,0,0]=4 5192 B13R1.51 COc1cc(ccc1OC(C)C)F 7a_100000036057_100000210206 [0,2,0,0,0,0|2,0,0]=4 5193 B13R1.51 COc1cc(ccc1OC(C)C)I 34a_100000049635_100000210206 [0,2,0,0,0,0|2,0,0]=4 5194 B13R1.51 COc1cc(ccc1OC(C)C)N 34a_100000726020_100000210206 [0,2,0,0,0,0|2,0,0]=4 5195 B13R1.51 COc1cc(ccc1OC(C)C)O 271570a_203496583355_100012354883 [0,2,0,0,0,0|2,0,0]=4 5196 B13R1.51 COc1cc(ccc1SC(C)C)Br 62a_100000210206_100010245111 [0,2,0,0,0,0|2,0,0]=4 5197 B13R1.51 COc1cc(ccc1SC(C)C)Br 62a_100010245111_100000210206 [0,2,0,0,0,0|2,0,0]=4 5198 B13R1.51 COc1cc(ccc1SC(C)C)C 62a_100000210206_100010200004 [0,2,0,0,0,0|2,0,0]=4 5199 B13R1.51 COc1cc(ccc1SC(C)C)C 62a_100010200004_100000210206 [0,2,0,0,0,0|2,0,0]=4 5200 B13R1.51 COc1cc(ccc1SC(C)C)Cl 62a_100000050115_100000210206 [0,2,0,0,0,0|2,0,0]=4 5201 B13R1.51 COc1cc(ccc1SC(C)C)Cl 62a_100000210206_100000050115 [0,2,0,0,0,0|2,0,0]=4 5202 B13R1.51 COc1cc(ccc1SC(C)C)F 62a_100000210206_100000757151 [0,2,0,0,0,0|2,0,0]=4 5203 B13R1.51 COc1cc(ccc1SC(C)C)F 62a_100000757151_100000210206 [0,2,0,0,0,0|2,0,0]=4 5204 B13R1.51 COc1cc(ccc1SC(C)C)N 62a_100000210206_100000765947 [0,2,0,0,0,0|2,0,0]=4 5205 B13R1.51 COc1cc(ccc1SC(C)C)N 62a_100000765947_100000210206 [0,2,0,0,0,0|2,0,0]=4 5206 B13R1.51 COc1cc(ccc1SC(C)C)O 62a_100000210206_100011827694 [0,2,0,0,0,0|2,0,0]=4 5207 B13R1.89 COc1ccccc1C(=O)C(C)C 1458a_100000185835_100000210206 [0,2,0,0,0,0|1,0,1]=4 5208 B13R1.89 COc1ccccc1C(C)C(=O)C 1458a_100011435281_200000210301 [0,2,0,0,0,0|1,0,1]=4 5209 B13R1.89 COc1ccccc1C(C)C(=O)[13CH3] 1458a_100011435281_200025704644 [0,2,0,0,0,0|1,0,1]=4 5210 B13R1.89 COc1ccccc1C(C)N(C)C 2230a_100015187102_200000210301 [0,2,0,0,0,0|2,0,0]=4 5211 B13R1.89 COc1ccccc1C(C)N(C)C 269982a_100015187102_200000210301 [0,2,0,0,0,0|2,0,0]=4 5212 B13R1.89 COc1ccccc1C(C)N(C)[13CH3] 2230a_100015187102_200025704644 [0,2,0,0,0,0|2,0,0]=4 5213 B13R1.89 COc1ccccc1C(C)N(C)[13CH3] 269982a_100015187102_200025704644 [0,2,0,0,0,0|2,0,0]=4 5214 B13R1.89 COc1ccccc1C(O)C(Cl)Cl 7a_206447358928_200000210301 [0,2,0,0,0,0|1,0,0]=3 5215 B13R1.89 COc1ccccc1N(C)C(C)C 2230a_100000219746_100000210206 [0,2,0,0,0,0|2,0,0]=4 5216 B13R1.89 COc1ccccc1N(C)C(C)C 269982a_100000219746_100000210206 [0,2,0,0,0,0|2,0,0]=4 5217 B13R1.89 COc1ccccc1N(C)C(C)C 34a_100000219746_100000210206 [0,2,0,0,0,0|2,0,0]=4 5218 B13R1.89 [13CH3]Oc1ccccc1C(O)C(Cl)Cl 7a_206447358928_200025704644 [0,2,0,0,0,0|1,0,0]=3 5219 B13R1.91 C#CC(=O)Cc1ccccc1OC 1458a_100000211873_100000210004 [0,2,0,0,0,0|1,0,1]=4 5220 B13R1.91 C#CC(C)Nc1ccccc1OC 34a_100000210025_200000035995 [0,2,0,0,0,0|1,0,1]=4 5221 B13R1.91 C#CC(C)Oc1ccccc1OC 34a_100000210385_200000035995 [0,2,0,0,0,0|1,0,1]=4 5222 B13R1.91 C#CC(C)Sc1ccccc1OC 62a_200000035995_100000210334 [0,2,0,0,0,0|1,0,1]=4 5223 B13R1.91 C=CC(=O)Cc1ccccc1OC 1458a_100000185746_100000210004 [0,2,0,0,0,0|1,0,1]=4 5224 B13R1.91 C=CC(C)Sc1ccccc1OC 62a_100011215867_100000210334 [0,2,0,0,0,0|1,0,1]=4 5225 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000210414_100000210004 [0,2,0,0,0,0|1,0,0]=3 5226 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000210202 [0,2,0,0,0,0|1,0,0]=3 5227 B13R1.91 CCC(=O)Cc1ccccc1SC 1458a_100000210414_100000699184 [0,2,0,0,0,0|1,1,0]=4 5228 B13R1.91 CCC(=O)Cc1cccnc1OC 1458a_100000210414_100020631285 [0,2,0,0,0,0|2,0,0]=4 5229 B13R1.91 CCC(=O)Cc1ccncc1OC 1458a_100000210414_100020635607 [0,2,0,0,0,0|2,0,0]=4 5230 B13R1.91 CCC(=O)Nc1ccccc1OC 11a_100000210025_100000210414 [0,2,0,0,0,0|1,0,1]=4 5231 B13R1.91 CCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210414 [0,2,0,0,0,0|1,0,1]=4 5232 B13R1.91 CCC(=O)Nc1ccccc1OC 22a_100000210025_100000210414 [0,2,0,0,0,0|1,0,1]=4 5233 B13R1.91 CCC(=O)Nc1ccccc1OC 527a_100000210025_100000210414 [0,2,0,0,0,0|1,0,1]=4 5234 B13R1.91 CCC(C)Nc1ccccc1OC 34a_100000210025_100011215416 [0,2,0,0,0,0|1,0,0]=3 5235 B13R1.91 CCC(C)Nc1ccccc1SC 34a_100000211160_100011215416 [0,2,0,0,0,0|1,1,0]=4 5236 B13R1.91 CCC(C)Oc1ccccc1NC 34a_100000033821_100011215416 [0,2,0,0,0,0|2,0,0]=4 5237 B13R1.91 CCC(C)Oc1ccccc1NC 34a_100011202597_200000210301 [0,2,0,0,0,0|2,0,0]=4 5238 B13R1.91 CCC(C)Oc1ccccc1NC 7a_100011202597_200000210301 [0,2,0,0,0,0|2,0,0]=4 5239 B13R1.91 CCC(C)Oc1ccccc1N[13CH3] 34a_100011202597_200025704644 [0,2,0,0,0,0|2,0,0]=4 5240 B13R1.91 CCC(C)Oc1ccccc1N[13CH3] 7a_100011202597_200025704644 [0,2,0,0,0,0|2,0,0]=4 5241 B13R1.91 CCC(C)Oc1ccccc1OC 34a_100000210385_100011215416 [0,2,0,0,0,0|1,0,0]=3 5242 B13R1.91 CCC(C)Oc1ccccc1SC 34a_100011216402_100011215416 [0,2,0,0,0,0|1,1,0]=4 5243 B13R1.91 CCC(C)Oc1cccnc1OC 34a_100000698397_100011215416 [0,2,0,0,0,0|2,0,0]=4 5244 B13R1.91 CCC(C)Oc1cccnc1OC 7a_100000698397_100000758301 [0,2,0,0,0,0|2,0,0]=4 5245 B13R1.91 CCC(C)Oc1cnccc1OC 34a_100000101186_100011215416 [0,2,0,0,0,0|2,0,0]=4 5246 B13R1.91 CCC(C)Oc1ncccc1OC 34a_100025773188_100011215416 [0,2,0,0,0,0|2,0,0]=4 5247 B13R1.91 CCC(C)Sc1ccccc1NC 62a_100000758301_100020606079 [0,2,0,0,0,0|2,0,0]=4 5248 B13R1.91 CCC(C)Sc1ccccc1NC 62a_100020606079_100000758301 [0,2,0,0,0,0|2,0,0]=4 5249 B13R1.91 CCC(C)Sc1ccccc1OC 62a_100000210334_100000758301 [0,2,0,0,0,0|1,0,0]=3 5250 B13R1.91 CCC(C)Sc1ccccc1OC 62a_100000758301_100000210334 [0,2,0,0,0,0|1,0,0]=3 5251 B13R1.91 CCC(C)Sc1ccccc1SC 62a_100000758301_100011217816 [0,2,0,0,0,0|1,1,0]=4 5252 B13R1.91 CCC(C)Sc1ccccc1SC 62a_100011217816_100000758301 [0,2,0,0,0,0|1,1,0]=4 5253 B13R1.91 CCC(C)Sc1cccnc1OC 62a_100000047025_100000758301 [0,2,0,0,0,0|2,0,0]=4 5254 B13R1.91 CCC(C)Sc1cccnc1OC 62a_100000758301_100000047025 [0,2,0,0,0,0|2,0,0]=4 5255 B13R1.91 CCC(C)Sc1ccncc1OC 62a_100000758301_100016988167 [0,2,0,0,0,0|2,0,0]=4 5256 B13R1.91 CCC(C)Sc1ccncc1OC 62a_100016988167_100000758301 [0,2,0,0,0,0|2,0,0]=4 5257 B13R1.91 CCC(C)Sc1cnccc1OC 62a_100000758301_100011997281 [0,2,0,0,0,0|2,0,0]=4 5258 B13R1.91 CCC(C)Sc1cnccc1OC 62a_100011997281_100000758301 [0,2,0,0,0,0|2,0,0]=4 5259 B13R1.91 CCC(C)Sc1ncccc1OC 62a_100000758301_100000690851 [0,2,0,0,0,0|2,0,0]=4 5260 B13R1.91 CCC(C)Sc1ncccc1OC 62a_100000767102_100000758301 [0,2,0,0,0,0|2,0,0]=4 5261 B13R1.91 CCN(C)Cc1ccccc1OC 2230a_100000184376_100000210202 [0,2,0,0,0,0|1,0,0]=3 5262 B13R1.91 CCN(C)Cc1ccccc1OC 2230a_100000225621_100000210004 [0,2,0,0,0,0|1,0,0]=3 5263 B13R1.91 CCN(C)Cc1ccccc1OC 269982a_100000184376_100000204670 [0,2,0,0,0,0|1,0,0]=3 5264 B13R1.91 CCN(C)Cc1ccccc1OC 269982a_100000225621_100000210004 [0,2,0,0,0,0|1,0,0]=3 5265 B13R1.91 CCN(C)Cc1ccccc1SC 2230a_100000225621_100000699184 [0,2,0,0,0,0|1,1,0]=4 5266 B13R1.91 CCN(C)Cc1ccccc1SC 269982a_100000225621_100000699184 [0,2,0,0,0,0|1,1,0]=4 5267 B13R1.91 CCN(C)Cc1cccnc1OC 2230a_100000225621_100020631285 [0,2,0,0,0,0|2,0,0]=4 5268 B13R1.91 CCN(C)Cc1ccncc1OC 2230a_100000225621_100020635607 [0,2,0,0,0,0|2,0,0]=4 5269 B13R1.91 CCc1ccccc1NC(C)CC 2230a_100000212081_100000758301 [0,2,0,0,0,0|2,0,0]=4 5270 B13R1.91 CCc1ccccc1NC(C)CC 34a_100000212081_100011215416 [0,2,0,0,0,0|2,0,0]=4 5271 B13R1.91 CCc1ccccc1NC(C)CC 7a_100000212081_100000758301 [0,2,0,0,0,0|2,0,0]=4 5272 B13R1.91 CCc1ccccc1NC(C)CO 2230a_100000212081_100012180447 [0,2,0,0,0,0|2,0,0]=4 5273 B13R1.91 CCc1ccccc1NC(C)CO 34a_100000212081_100012180447 [0,2,0,0,0,0|2,0,0]=4 5274 B13R1.91 CCc1ccccc1NC(C)CO 7a_100000212081_100012180447 [0,2,0,0,0,0|2,0,0]=4 5275 B13R1.91 CCc1ccccc1OC(C)CC 34a_100000210936_100011215416 [0,2,0,0,0,0|2,0,0]=4 5276 B13R1.91 CCc1ccccc1OC(C)CC 7a_100000210936_100000758301 [0,2,0,0,0,0|2,0,0]=4 5277 B13R1.91 CCc1ccccc1OC(C)CO 34a_100000210936_100012180447 [0,2,0,0,0,0|2,0,0]=4 5278 B13R1.91 CCc1ccccc1OC(C)CO 7a_100000210936_100012180447 [0,2,0,0,0,0|2,0,0]=4 5279 B13R1.91 CCc1ccccc1SC(C)CC 62a_100000758301_100011215823 [0,2,0,0,0,0|2,0,0]=4 5280 B13R1.91 CCc1ccccc1SC(C)CC 62a_100011215823_100000758301 [0,2,0,0,0,0|2,0,0]=4 5281 B13R1.91 CCc1ccccc1SC(C)CO 62a_100012180447_100011215823 [0,2,0,0,0,0|2,0,0]=4 5282 B13R1.91 CCc1ccccc1S[C@H](C)CO 62a_100011215823_100016084084 [0,2,0,0,0,0|2,0,0]=4 5283 B13R1.91 CCc1ccccc1S[C@H](C)CO 62a_100016084084_100011215823 [0,2,0,0,0,0|2,0,0]=4 5284 B13R1.91 CNC(=O)Cc1ccccc1NC 2230a_100000738506_200000210301 [0,2,0,0,0,0|1,0,1]=4 5285 B13R1.91 CNC(=O)Cc1ccccc1NC 34a_100000738506_200000210301 [0,2,0,0,0,0|1,0,1]=4 5286 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 2230a_100000738506_200025704644 [0,2,0,0,0,0|1,0,1]=4 5287 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 34a_100000738506_200025704644 [0,2,0,0,0,0|1,0,1]=4 5288 B13R1.91 CNC(=O)Cc1ccccc1OC 11a_106832991635_100000211604 [0,2,0,0,0,0|0,0,1]=3 5289 B13R1.91 CNC(=O)Cc1ccccc1OC 1626a_100102657272_100000211604 [0,2,0,0,0,0|0,0,1]=3 5290 B13R1.91 CNC(=O)Cc1ccccc1OC 240690a_100102657272_100000211604 [0,2,0,0,0,0|0,0,1]=3 5291 B13R1.91 CNC(=O)Cc1ccccc1OC 527a_100102657272_100000211604 [0,2,0,0,0,0|0,0,1]=3 5292 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200000210301_200009816160 [0,2,0,0,0,0|0,1,1]=4 5293 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200009816160_200000210301 [0,2,0,0,0,0|0,1,1]=4 5294 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200009816160_200025704644 [0,2,0,0,0,0|0,1,1]=4 5295 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_200009816160 [0,2,0,0,0,0|0,1,1]=4 5296 B13R1.91 CNC(=O)Nc1ccccc1OC 2430a_100000210025_100102657272 [0,2,0,0,0,0|1,0,1]=4 5297 B13R1.91 CNC(C)Cc1ccccc1OC 270004a_106832991635_100000211486 [0,2,0,0,0,0|0,0,0]=2 5298 B13R1.91 CNc1ccccc1OC(C)CO 34a_100000033821_100012180447 [0,2,0,0,0,0|2,0,0]=4 5299 B13R1.91 CNc1ccccc1SC(C)CO 62a_100012180447_100020606079 [0,2,0,0,0,0|2,0,0]=4 5300 B13R1.91 CNc1ccccc1S[C@H](C)CO 62a_100016084084_100020606079 [0,2,0,0,0,0|2,0,0]=4 5301 B13R1.91 CNc1ccccc1S[C@H](C)CO 62a_100020606079_100016084084 [0,2,0,0,0,0|2,0,0]=4 5302 B13R1.91 COC(=O)Cc1ccccc1OC 7a_100000758901_200000210301 [0,2,0,0,0,0|1,0,1]=4 5303 B13R1.91 COC(=O)Cc1ccccc1O[13CH3] 7a_100000758901_200025704644 [0,2,0,0,0,0|1,0,1]=4 5304 B13R1.91 COc1ccccc1CC(=O)CF 1458a_100000211604_100015361967 [0,2,0,0,0,0|1,0,0]=3 5305 B13R1.91 COc1ccccc1CC(=O)CO 1458a_100000210174_100000210004 [0,2,0,0,0,0|1,0,0]=3 5306 B13R1.91 COc1ccccc1CC(=O)NN 34a_200012021708_200000210301 [0,2,0,0,0,0|0,0,1]=3 5307 B13R1.91 COc1ccccc1CC(C)OC 7a_100000691916_200000210301 [0,2,0,0,0,0|1,0,0]=3 5308 B13R1.91 COc1ccccc1CC(C)O[13CH3] 7a_100000691916_200025704644 [0,2,0,0,0,0|1,0,0]=3 5309 B13R1.91 COc1ccccc1CN(C)CF 269982a_100000184376_100015361967 [0,2,0,0,0,0|1,0,0]=3 5310 B13R1.91 COc1ccccc1NC(=O)CCl 7a_100000014494_200000210301 [0,2,0,0,0,0|1,0,1]=4 5311 B13R1.91 COc1ccccc1NC(=O)CO 22a_100000210025_100000210174 [0,2,0,0,0,0|1,0,1]=4 5312 B13R1.91 COc1ccccc1NC(=O)CO 527a_100000210025_100000210174 [0,2,0,0,0,0|1,0,1]=4 5313 B13R1.91 COc1ccccc1NC(C)CO 34a_100000210025_100012180447 [0,2,0,0,0,0|1,0,0]=3 5314 B13R1.91 COc1ccccc1OC(C)CO 34a_100000210385_100012180447 [0,2,0,0,0,0|1,0,0]=3 5315 B13R1.91 COc1ccccc1SC(C)C#N 62a_100000210334_100000703298 [0,2,0,0,0,0|0,0,2]=4 5316 B13R1.91 COc1ccccc1SC(C)C#N 62a_100000703298_100000210334 [0,2,0,0,0,0|0,0,2]=4 5317 B13R1.91 COc1ccccc1SC(C)CO 62a_100012180447_100000210334 [0,2,0,0,0,0|1,0,0]=3 5318 B13R1.91 COc1ccccc1SC(C)OC 62a_100000210334_100009879195 [0,2,0,0,0,0|2,0,0]=4 5319 B13R1.91 COc1ccccc1SC(C)OC 62a_100009879195_100000210334 [0,2,0,0,0,0|2,0,0]=4 5320 B13R1.91 COc1ccccc1SC(F)C#N 62a_100000210334_200000117898 [0,2,0,0,0,0|0,0,2]=4 5321 B13R1.91 COc1ccccc1SC(F)C#N 62a_200000117898_100000210334 [0,2,0,0,0,0|0,0,2]=4 5322 B13R1.91 COc1ccccc1S[C@H](C)CO 62a_100000210334_100016084084 [0,2,0,0,0,0|1,0,0]=3 5323 B13R1.91 COc1ccccc1S[C@H](C)CO 62a_100016084084_100000210334 [0,2,0,0,0,0|1,0,0]=3 5324 B13R1.91 COc1cccnc1OC(C)CO 34a_100025773188_100012180447 [0,2,0,0,0,0|2,0,0]=4 5325 B13R1.91 COc1cccnc1SC(C)CO 62a_100012180447_100000690851 [0,2,0,0,0,0|2,0,0]=4 5326 B13R1.91 COc1cccnc1S[C@H](C)CO 62a_100000767102_100016084084 [0,2,0,0,0,0|2,0,0]=4 5327 B13R1.91 COc1cccnc1S[C@H](C)CO 62a_100016084084_100000690851 [0,2,0,0,0,0|2,0,0]=4 5328 B13R1.91 COc1ccncc1OC(C)CO 34a_100000101186_100012180447 [0,2,0,0,0,0|2,0,0]=4 5329 B13R1.91 COc1ccncc1SC(C)CO 62a_100012180447_100011997281 [0,2,0,0,0,0|2,0,0]=4 5330 B13R1.91 COc1ccncc1S[C@H](C)CO 62a_100011997281_100016084084 [0,2,0,0,0,0|2,0,0]=4 5331 B13R1.91 COc1ccncc1S[C@H](C)CO 62a_100016084084_100011997281 [0,2,0,0,0,0|2,0,0]=4 5332 B13R1.91 COc1cnccc1CC(=O)CO 1458a_100000210174_100020635607 [0,2,0,0,0,0|2,0,0]=4 5333 B13R1.91 COc1cnccc1SC(C)CO 62a_100012180447_100016988167 [0,2,0,0,0,0|2,0,0]=4 5334 B13R1.91 COc1cnccc1S[C@H](C)CO 62a_100016084084_100016988167 [0,2,0,0,0,0|2,0,0]=4 5335 B13R1.91 COc1cnccc1S[C@H](C)CO 62a_100016988167_100016084084 [0,2,0,0,0,0|2,0,0]=4 5336 B13R1.91 COc1ncccc1CC(=O)CO 1458a_100000210174_100020631285 [0,2,0,0,0,0|2,0,0]=4 5337 B13R1.91 COc1ncccc1OC(C)CO 34a_100000698397_100012180447 [0,2,0,0,0,0|2,0,0]=4 5338 B13R1.91 COc1ncccc1OC(C)CO 7a_100000698397_100012180447 [0,2,0,0,0,0|2,0,0]=4 5339 B13R1.91 COc1ncccc1SC(C)CO 62a_100012180447_100000047025 [0,2,0,0,0,0|2,0,0]=4 5340 B13R1.91 COc1ncccc1S[C@H](C)CO 62a_100000047025_100016084084 [0,2,0,0,0,0|2,0,0]=4 5341 B13R1.91 COc1ncccc1S[C@H](C)CO 62a_100016084084_100000047025 [0,2,0,0,0,0|2,0,0]=4 5342 B13R1.91 CSc1ccccc1CC(=O)CO 1458a_100000210174_100000699184 [0,2,0,0,0,0|1,1,0]=4 5343 B13R1.91 CSc1ccccc1CC(=O)NN 62a_200000210301_200010210069 [0,2,0,0,0,0|0,1,1]=4 5344 B13R1.91 CSc1ccccc1CC(=O)NN 62a_200010210069_200000210301 [0,2,0,0,0,0|0,1,1]=4 5345 B13R1.91 CSc1ccccc1NC(=O)CN 62a_200000210301_100000683505 [0,2,0,0,0,0|0,1,1]=4 5346 B13R1.91 CSc1ccccc1NC(C)CO 34a_100000211160_100012180447 [0,2,0,0,0,0|1,1,0]=4 5347 B13R1.91 CSc1ccccc1OC(C)CO 34a_100011216402_100012180447 [0,2,0,0,0,0|1,1,0]=4 5348 B13R1.91 CSc1ccccc1SC(C)CO 62a_100012180447_100011217816 [0,2,0,0,0,0|1,1,0]=4 5349 B13R1.91 CSc1ccccc1S[C@H](C)CO 62a_100011217816_100016084084 [0,2,0,0,0,0|1,1,0]=4 5350 B13R1.91 CSc1ccccc1S[C@H](C)CO 62a_100016084084_100011217816 [0,2,0,0,0,0|1,1,0]=4 5351 B13R1.91 [13CH3]Oc1ccccc1CC(=O)NN 34a_200012021708_200025704644 [0,2,0,0,0,0|0,0,1]=3 5352 B13R1.91 [13CH3]Oc1ccccc1NC(=O)CCl 7a_100000014494_200025704644 [0,2,0,0,0,0|1,0,1]=4 5353 B13R1.91 [13CH3]Sc1ccccc1CC(=O)NN 62a_200010210069_200025704644 [0,2,0,0,0,0|0,1,1]=4 5354 B13R1.91 [13CH3]Sc1ccccc1CC(=O)NN 62a_200025704644_200010210069 [0,2,0,0,0,0|0,1,1]=4 5355 B13R1.91 [13CH3]Sc1ccccc1NC(=O)CN 62a_200025704644_100000683505 [0,2,0,0,0,0|0,1,1]=4 5356 B13R1.115 COc1c(cccc1CC(=O)C)Br 1458a_100000070787_100011470457 [0,2,0,0,0,0|1,0,1]=4 5357 B13R1.115 COc1c(cccc1CC(=O)C)C 1458a_100000070787_100012349798 [0,2,0,0,0,0|1,0,1]=4 5358 B13R1.115 COc1c(cccc1CC(=O)C)F 1458a_100000061543_200000210301 [0,2,0,0,0,0|1,0,1]=4 5359 B13R1.115 COc1c(cccc1CC(=O)[13CH3])F 1458a_100000061543_200025704644 [0,2,0,0,0,0|1,0,1]=4 5360 B13R1.115 COc1c(cccc1CN(C)C)Br 2230a_100102631434_100011470457 [0,2,0,0,0,0|2,0,0]=4 5361 B13R1.115 COc1c(cccc1CN(C)C)Br 269982a_100102631434_100011470457 [0,2,0,0,0,0|2,0,0]=4 5362 B13R1.115 COc1c(cccc1CN(C)C)Br 270004a_100102631434_100000692592 [0,2,0,0,0,0|2,0,0]=4 5363 B13R1.115 COc1c(cccc1CN(C)C)C 2230a_100102631434_100012349798 [0,2,0,0,0,0|2,0,0]=4 5364 B13R1.115 COc1c(cccc1CN(C)C)C 269982a_100102631434_100012349798 [0,2,0,0,0,0|2,0,0]=4 5365 B13R1.115 COc1c(cccc1CN(C)C)C 270004a_100102631434_100011361485 [0,2,0,0,0,0|2,0,0]=4 5366 B13R1.115 COc1c(cccc1CN(C)C)Cl 270004a_100102631434_100011466644 [0,2,0,0,0,0|2,0,0]=4 5367 B13R1.115 COc1c(cccc1CN(C)C)F 270004a_100102631434_100011830294 [0,2,0,0,0,0|2,0,0]=4 5368 B13R1.115 COc1c(cccc1NC(C)C)Br 34a_100011935253_100000210206 [0,2,0,0,0,0|2,0,0]=4 5369 B13R1.115 COc1c(cccc1NC(C)C)C 34a_100012017360_100000210206 [0,2,0,0,0,0|2,0,0]=4 5370 B13R1.115 COc1c(cccc1NC(C)C)Cl 2230a_100000743799_100000210206 [0,2,0,0,0,0|2,0,0]=4 5371 B13R1.115 COc1c(cccc1NC(C)C)Cl 34a_100000743799_100000210206 [0,2,0,0,0,0|2,0,0]=4 5372 B13R1.115 COc1c(cccc1NC(C)C)F 34a_100011215007_100000210206 [0,2,0,0,0,0|2,0,0]=4 5373 B13R1.115 COc1c(cccc1OC(C)C)Br 34a_100010234590_100000210206 [0,2,0,0,0,0|2,0,0]=4 5374 B13R1.115 COc1c(cccc1OC(C)C)Cl 34a_200009886253_100000210206 [0,2,0,0,0,0|2,0,0]=4 5375 B13R1.115 COc1c(cccc1OC(C)C)Cl 7a_200009886253_100000210206 [0,2,0,0,0,0|2,0,0]=4 5376 B13R1.115 COc1c(cccc1SC(C)C)Br 62a_100000210206_100010146560 [0,2,0,0,0,0|2,0,0]=4 5377 B13R1.115 COc1c(cccc1SC(C)C)Br 62a_100010146560_100000210206 [0,2,0,0,0,0|2,0,0]=4 5378 B13R1.115 COc1c(cccc1SC(C)C)C 62a_100000210206_100010141385 [0,2,0,0,0,0|2,0,0]=4 5379 B13R1.115 COc1c(cccc1SC(C)C)C 62a_100010141385_100000210206 [0,2,0,0,0,0|2,0,0]=4 5380 B13R1.115 COc1c(cccc1SC(C)C)Cl 62a_100000210206_100010147678 [0,2,0,0,0,0|2,0,0]=4 5381 B13R1.115 COc1c(cccc1SC(C)C)Cl 62a_100010147678_100000210206 [0,2,0,0,0,0|2,0,0]=4 5382 B13R1.115 COc1c(cccc1SC(C)C)F 62a_100000210206_100009816759 [0,2,0,0,0,0|2,0,0]=4 5383 B13R1.115 COc1c(cccc1SC(C)C)F 62a_100009816759_100000210206 [0,2,0,0,0,0|2,0,0]=4 5384 B13R1.115 COc1c(cccc1SC(C)C)N 62a_100011935253_100000210206 [0,2,0,0,0,0|2,0,0]=4 5385 B13R1.115 COc1c(cccc1SC(C)C)O 62a_100000210206_100010234590 [0,2,0,0,0,0|2,0,0]=4 5386 B13R1.115 CSc1c(cccc1CC(=O)N)C 62a_100011096275_200000210301 [0,2,0,0,0,0|0,1,1]=4 5387 B13R1.115 CSc1c(cccc1CC(=O)N)C 62a_200000210301_100011096275 [0,2,0,0,0,0|0,1,1]=4 5388 B13R1.115 Cc1cccc(c1S[13CH3])CC(=O)N 62a_100011096275_200025704644 [0,2,0,0,0,0|0,1,1]=4 5389 B13R1.115 Cc1cccc(c1S[13CH3])CC(=O)N 62a_200025704644_100011096275 [0,2,0,0,0,0|0,1,1]=4 5390 B13R1.380 C=CCc1ccccc1OC(C)C 34a_100000211836_100000210206 [0,2,0,0,0,0|1,0,1]=4 5391 B13R1.380 C=CCc1ccccc1OC(C)C 7a_100000211836_100000210206 [0,2,0,0,0,0|1,0,1]=4 5392 B13R1.380 CC(=Cc1ccccc1CCN)C 271570a_100102525489_100000747383 [0,2,0,0,0,0|1,0,0]=3 5393 B13R1.380 CC(=Cc1ccccc1CCO)C 271570a_100102525489_100000731337 [0,2,0,0,0,0|2,0,0]=4 5394 B13R1.380 CC(=Cc1ccccc1CNN)C 271570a_100102525489_200016993956 [0,2,0,0,0,0|2,0,0]=4 5395 B13R1.380 CC(=O)Nc1ccccc1CCO 22a_100011215289_100000070787 [0,2,0,0,0,0|2,0,0]=4 5396 B13R1.380 CC(=O)Nc1ccccc1CCO 527a_100011215289_100103153847 [0,2,0,0,0,0|2,0,0]=4 5397 B13R1.380 CC(=O)Oc1ccccc1SCF 62a_100000051690_100015361967 [0,2,0,0,0,0|2,0,0]=4 5398 B13R1.380 CC(=O)Oc1ccccc1SCF 62a_100015361967_100000051690 [0,2,0,0,0,0|2,0,0]=4 5399 B13R1.380 CC(C)Nc1ccccc1CCO 2230a_100011215289_100000210206 [0,2,0,0,0,0|2,0,0]=4 5400 B13R1.380 CC(C)Nc1ccccc1CCO 34a_100011215289_100000210206 [0,2,0,0,0,0|2,0,0]=4 5401 B13R1.380 CC(C)Oc1ccccc1CC#N 34a_100000043107_100000210206 [0,2,0,0,0,0|0,0,2]=4 5402 B13R1.380 CC(C)Oc1ccccc1CC#N 7a_100000043107_100000210206 [0,2,0,0,0,0|0,0,2]=4 5403 B13R1.380 CC(C)Oc1ccccc1CCBr 34a_100000722297_100000210206 [0,2,0,0,0,0|1,0,0]=3 5404 B13R1.380 CC(C)Oc1ccccc1CCBr 7a_100000722297_100000210206 [0,2,0,0,0,0|1,0,0]=3 5405 B13R1.380 CC(C)Oc1ccccc1CCN 34a_100011207237_100000210206 [0,2,0,0,0,0|0,0,0]=2 5406 B13R1.380 CC(C)Oc1ccccc1CCO 34a_100000719421_100000210206 [0,2,0,0,0,0|1,0,0]=3 5407 B13R1.380 CC(C)Oc1ccccc1CCO 7a_100000719421_100000210206 [0,2,0,0,0,0|1,0,0]=3 5408 B13R1.380 CC(C)Oc1ccccc1CN[13CH3] 2230a_100000188901_200025704644 [0,2,0,0,0,0|2,0,0]=4 5409 B13R1.380 CC(C)Oc1ccccc1CN[13CH3] 34a_100000188901_200025704644 [0,2,0,0,0,0|2,0,0]=4 5410 B13R1.380 CC(C)Oc1ccccc1CO[13CH3] 34a_100000708705_200025704644 [0,2,0,0,0,0|2,0,0]=4 5411 B13R1.380 CC(C)Oc1ccccc1CO[13CH3] 7a_100000708705_200025704644 [0,2,0,0,0,0|2,0,0]=4 5412 B13R1.380 CC(C)Oc1ccccc1NCF 34a_100000739276_100015361967 [0,2,0,0,0,0|2,0,0]=4 5413 B13R1.380 CC(C)Oc1ccccc1OCF 34a_100011218612_100015361967 [0,2,0,0,0,0|2,0,0]=4 5414 B13R1.380 CC(C)Oc1ccccc1OCF 7a_100011218612_100015361967 [0,2,0,0,0,0|2,0,0]=4 5415 B13R1.380 CC(C)Oc1ccccc1SCF 62a_100000173919_100015361967 [0,2,0,0,0,0|2,0,0]=4 5416 B13R1.380 CC(C)Oc1ccccc1SCF 62a_100015361967_100000173919 [0,2,0,0,0,0|2,0,0]=4 5417 B13R1.380 CC(C)Sc1ccccc1CCN 62a_100000210206_100000747383 [0,2,0,0,0,0|0,1,0]=3 5418 B13R1.380 CC(C)Sc1ccccc1CCN 62a_100000747383_100000210206 [0,2,0,0,0,0|0,1,0]=3 5419 B13R1.380 CC(C)Sc1ccccc1CCO 62a_100000210206_100000731337 [0,2,0,0,0,0|1,1,0]=4 5420 B13R1.380 CC(C)Sc1ccccc1CCO 62a_100000731337_100000210206 [0,2,0,0,0,0|1,1,0]=4 5421 B13R1.380 CC(C)Sc1ccccc1CNN 62a_100000210206_200016993956 [0,2,0,0,0,0|1,1,0]=4 5422 B13R1.380 CC(C)Sc1ccccc1CNN 62a_200016993956_100000210206 [0,2,0,0,0,0|1,1,0]=4 5423 B13R1.380 CC=Cc1ccccc1CC(=O)N 271570a_100016259895_200009814924 [0,2,0,0,0,0|1,0,1]=4 5424 B13R1.380 CCCc1ccccc1NC(=O)C 11a_100000737634_100015343762 [0,2,0,0,0,0|2,0,0]=4 5425 B13R1.380 CCCc1ccccc1NC(=O)C 1626a_100000737634_100015343762 [0,2,0,0,0,0|2,0,0]=4 5426 B13R1.380 CCCc1ccccc1NC(=O)C 22a_100000737634_100000070787 [0,2,0,0,0,0|2,0,0]=4 5427 B13R1.380 CCCc1ccccc1NC(=O)C 527a_100000737634_100103153847 [0,2,0,0,0,0|2,0,0]=4 5428 B13R1.380 CCCc1ccccc1NC(C)C 2230a_100000737634_100000210206 [0,2,0,0,0,0|2,0,0]=4 5429 B13R1.380 CCCc1ccccc1NC(C)C 34a_100000737634_100000210206 [0,2,0,0,0,0|2,0,0]=4 5430 B13R1.380 CCCc1ccccc1NC(C)C 7a_100000737634_100000210206 [0,2,0,0,0,0|2,0,0]=4 5431 B13R1.380 CCCc1ccccc1OC(C)C 34a_100011217252_100000210206 [0,2,0,0,0,0|1,0,0]=3 5432 B13R1.380 CCCc1ccccc1OC(C)C 7a_100011217252_100000210206 [0,2,0,0,0,0|1,0,0]=3 5433 B13R1.380 CCNc1ccccc1OC(C)C 2230a_100000739276_100000210202 [0,2,0,0,0,0|2,0,0]=4 5434 B13R1.380 CCNc1ccccc1OC(C)C 34a_100000739276_100000210202 [0,2,0,0,0,0|2,0,0]=4 5435 B13R1.380 CCNc1ccccc1OC(C)C 34a_103624766699_100000210206 [0,2,0,0,0,0|2,0,0]=4 5436 B13R1.380 CCNc1ccccc1OC(C)C 7a_103624766699_100000210206 [0,2,0,0,0,0|2,0,0]=4 5437 B13R1.380 CCNc1ccccc1OC(F)F 2230a_100000182466_100000210202 [0,2,0,0,0,0|2,0,0]=4 5438 B13R1.380 CCNc1ccccc1OC(F)F 34a_100000182466_100000210202 [0,2,0,0,0,0|2,0,0]=4 5439 B13R1.380 CCOc1ccccc1CC(=O)C 1458a_100011247627_200000210301 [0,2,0,0,0,0|1,0,1]=4 5440 B13R1.380 CCOc1ccccc1CC(=O)[13CH3] 1458a_100011247627_200025704644 [0,2,0,0,0,0|1,0,1]=4 5441 B13R1.380 CCOc1ccccc1CN(C)C 2230a_100000742257_200000210301 [0,2,0,0,0,0|2,0,0]=4 5442 B13R1.380 CCOc1ccccc1CN(C)C 269982a_100000742257_200000210301 [0,2,0,0,0,0|2,0,0]=4 5443 B13R1.380 CCOc1ccccc1CN(C)C 270004a_100102631434_100000169843 [0,2,0,0,0,0|2,0,0]=4 5444 B13R1.380 CCOc1ccccc1CN(C)[13CH3] 2230a_100000742257_200025704644 [0,2,0,0,0,0|2,0,0]=4 5445 B13R1.380 CCOc1ccccc1CN(C)[13CH3] 269982a_100000742257_200025704644 [0,2,0,0,0,0|2,0,0]=4 5446 B13R1.380 CCOc1ccccc1NC(=S)N 7a_200000011649_100000210202 [0,2,0,0,0,0|1,0,1]=4 5447 B13R1.380 CCOc1ccccc1NC(C)C 34a_100000211218_100000210206 [0,2,0,0,0,0|2,0,0]=4 5448 B13R1.380 CCOc1ccccc1OC(C)C 34a_100000211404_100000210206 [0,2,0,0,0,0|2,0,0]=4 5449 B13R1.380 CCOc1ccccc1OC(C)C 34a_100011218612_100000210202 [0,2,0,0,0,0|2,0,0]=4 5450 B13R1.380 CCOc1ccccc1OC(C)C 7a_100000211404_100000210206 [0,2,0,0,0,0|2,0,0]=4 5451 B13R1.380 CCOc1ccccc1OC(C)C 7a_100011218612_100000210202 [0,2,0,0,0,0|2,0,0]=4 5452 B13R1.380 CCOc1ccccc1OC(F)F 34a_100000752575_100000210202 [0,2,0,0,0,0|2,0,0]=4 5453 B13R1.380 CCOc1ccccc1OC(F)F 7a_100000752575_100000210202 [0,2,0,0,0,0|2,0,0]=4 5454 B13R1.380 CCOc1ccccc1SC(C)C 62a_100000210206_100000230754 [0,2,0,0,0,0|2,0,0]=4 5455 B13R1.380 CCOc1ccccc1SC(C)C 62a_100000230754_100000210206 [0,2,0,0,0,0|2,0,0]=4 5456 B13R1.380 CCSc1ccccc1CC(=O)N 62a_100000210202_200009814924 [0,2,0,0,0,0|0,1,1]=4 5457 B13R1.380 CCSc1ccccc1CC(=O)N 62a_200009814924_100000210202 [0,2,0,0,0,0|0,1,1]=4 5458 B13R1.380 CCSc1ccccc1OC(=O)C 62a_100000051690_100000210202 [0,2,0,0,0,0|2,0,0]=4 5459 B13R1.380 CCSc1ccccc1OC(=O)C 62a_100000210202_100000051690 [0,2,0,0,0,0|2,0,0]=4 5460 B13R1.380 CCSc1ccccc1OC(C)C 62a_100000173919_100000210202 [0,2,0,0,0,0|2,0,0]=4 5461 B13R1.380 CCSc1ccccc1OC(C)C 62a_100000210202_100000173919 [0,2,0,0,0,0|2,0,0]=4 5462 B13R1.380 CCSc1ccccc1OC(F)F 62a_100000210202_100011263859 [0,2,0,0,0,0|2,0,0]=4 5463 B13R1.380 CCSc1ccccc1OC(F)F 62a_100011263859_100000210202 [0,2,0,0,0,0|2,0,0]=4 5464 B13R1.380 CNCc1ccccc1OC(=O)C 270004a_106832991635_100009864558 [0,2,0,0,0,0|2,0,0]=4 5465 B13R1.380 CNCc1ccccc1OC(C)C 207a_100102657272_100000169844 [0,2,0,0,0,0|2,0,0]=4 5466 B13R1.380 CNCc1ccccc1OC(C)C 2230a_100000188901_200000210301 [0,2,0,0,0,0|2,0,0]=4 5467 B13R1.380 CNCc1ccccc1OC(C)C 270004a_106832991635_100000169844 [0,2,0,0,0,0|2,0,0]=4 5468 B13R1.380 CNCc1ccccc1OC(C)C 34a_100000188901_200000210301 [0,2,0,0,0,0|2,0,0]=4 5469 B13R1.380 CNCc1ccccc1OC(C)C 34a_100015189988_100000210206 [0,2,0,0,0,0|2,0,0]=4 5470 B13R1.380 CNCc1ccccc1OC(F)F 207a_100102657272_100000179042 [0,2,0,0,0,0|2,0,0]=4 5471 B13R1.380 CNCc1ccccc1OC(F)F 2230a_100000181768_200000210301 [0,2,0,0,0,0|2,0,0]=4 5472 B13R1.380 CNCc1ccccc1OC(F)F 2230a_106832991635_100000757446 [0,2,0,0,0,0|2,0,0]=4 5473 B13R1.380 CNCc1ccccc1OC(F)F 270004a_106832991635_100000179042 [0,2,0,0,0,0|2,0,0]=4 5474 B13R1.380 CNCc1ccccc1OC(F)F 34a_100000181768_200000210301 [0,2,0,0,0,0|2,0,0]=4 5475 B13R1.380 CNCc1ccccc1OC(F)F 34a_100102657272_100000757446 [0,2,0,0,0,0|2,0,0]=4 5476 B13R1.380 CNCc1ccccc1OC(F)F 7a_106832991635_100000757446 [0,2,0,0,0,0|2,0,0]=4 5477 B13R1.380 COCc1ccccc1OC(C)C 34a_100000708705_200000210301 [0,2,0,0,0,0|2,0,0]=4 5478 B13R1.380 COCc1ccccc1OC(C)C 34a_100011488565_100000210206 [0,2,0,0,0,0|2,0,0]=4 5479 B13R1.380 COCc1ccccc1OC(C)C 7a_100000708705_200000210301 [0,2,0,0,0,0|2,0,0]=4 5480 B13R1.380 COCc1ccccc1OC(C)C 7a_100011488565_100000210206 [0,2,0,0,0,0|2,0,0]=4 5481 B13R1.380 COCc1ccccc1OC(F)F 34a_100011215101_200000210301 [0,2,0,0,0,0|2,0,0]=4 5482 B13R1.380 COCc1ccccc1OC(F)F 34a_100138415774_100000757446 [0,2,0,0,0,0|2,0,0]=4 5483 B13R1.380 COCc1ccccc1OC(F)F 7a_100011215101_200000210301 [0,2,0,0,0,0|2,0,0]=4 5484 B13R1.380 COCc1ccccc1SC(C)C 62a_100000210206_100011493684 [0,2,0,0,0,0|2,0,0]=4 5485 B13R1.380 COCc1ccccc1SC(C)C 62a_100011493684_100000210206 [0,2,0,0,0,0|2,0,0]=4 5486 B13R1.380 CSCc1ccccc1OC(F)F 62a_100000757446_200000210301 [0,2,0,0,0,0|2,0,0]=4 5487 B13R1.380 CSCc1ccccc1OC(F)F 62a_200000210301_100000757446 [0,2,0,0,0,0|2,0,0]=4 5488 B13R1.380 FCNc1ccccc1OC(F)F 34a_100000182466_100015361967 [0,2,0,0,0,0|2,0,0]=4 5489 B13R1.380 FCOc1ccccc1OC(F)F 34a_100000752575_100015361967 [0,2,0,0,0,0|2,0,0]=4 5490 B13R1.380 FCOc1ccccc1OC(F)F 7a_100000752575_100015361967 [0,2,0,0,0,0|2,0,0]=4 5491 B13R1.380 FCSc1ccccc1OC(F)F 62a_100011263859_100015361967 [0,2,0,0,0,0|2,0,0]=4 5492 B13R1.380 FCSc1ccccc1OC(F)F 62a_100015361967_100011263859 [0,2,0,0,0,0|2,0,0]=4 5493 B13R1.380 NC(=O)Cc1ccccc1SCF 62a_100015361967_200009814924 [0,2,0,0,0,0|0,1,1]=4 5494 B13R1.380 NC(=O)Cc1ccccc1SCF 62a_200009814924_100015361967 [0,2,0,0,0,0|0,1,1]=4 5495 B13R1.380 NC(=S)Nc1ccccc1OCF 7a_200000011649_100015361967 [0,2,0,0,0,0|1,0,1]=4 5496 B13R1.380 [13CH3]NCc1ccccc1OC(F)F 2230a_100000181768_200025704644 [0,2,0,0,0,0|2,0,0]=4 5497 B13R1.380 [13CH3]NCc1ccccc1OC(F)F 34a_100000181768_200025704644 [0,2,0,0,0,0|2,0,0]=4 5498 B13R1.380 [13CH3]OCc1ccccc1OC(F)F 34a_100011215101_200025704644 [0,2,0,0,0,0|2,0,0]=4 5499 B13R1.380 [13CH3]OCc1ccccc1OC(F)F 7a_100011215101_200025704644 [0,2,0,0,0,0|2,0,0]=4 5500 B13R1.380 [13CH3]SCc1ccccc1OC(F)F 62a_100000757446_200025704644 [0,2,0,0,0,0|2,0,0]=4 5501 B13R1.380 [13CH3]SCc1ccccc1OC(F)F 62a_200025704644_100000757446 [0,2,0,0,0,0|2,0,0]=4 5502 B13R1.589 C=C(C)c1ccccc1CC(=O)N 271570a_100000694244_200009814924 [0,2,0,0,0,0|1,0,1]=4 5503 B13R1.622 C=Cc1ccccc1CC(C)(C)N 271570a_100011290941_100161000475 [0,2,0,0,0,0|1,0,1]=4 5504 B13R1.622 CC(C)(N)Cc1ccccc1S[13CH3] 62a_100161000475_200025704644 [0,2,0,0,0,0|0,1,0]=3 5505 B13R1.622 CC(C)(N)Cc1ccccc1S[13CH3] 62a_200025704644_100161000475 [0,2,0,0,0,0|0,1,0]=3 5506 B13R1.622 COc1ccccc1NC(C)(C)C 34a_100000210025_100000210625 [0,2,0,0,0,0|2,0,0]=4 5507 B13R1.622 COc1ccccc1NC(F)(F)F 34a_100000210025_200103152311 [0,2,0,0,0,0|2,0,0]=4 5508 B13R1.622 COc1ccccc1OC(C)(C)C 34a_100000210385_100000210625 [0,2,0,0,0,0|2,0,0]=4 5509 B13R1.622 COc1ccccc1OC(F)(F)F 34a_100000210385_200103152311 [0,2,0,0,0,0|2,0,0]=4 5510 B13R1.622 COc1ccccc1OC(F)(F)F 34a_100000700418_200000210301 [0,2,0,0,0,0|2,0,0]=4 5511 B13R1.622 COc1ccccc1OC(F)(F)F 7a_100000700418_200000210301 [0,2,0,0,0,0|2,0,0]=4 5512 B13R1.622 COc1ccccc1SC(C)(C)C 62a_100000210334_100000211941 [0,2,0,0,0,0|2,0,0]=4 5513 B13R1.622 COc1ccccc1SC(C)(C)C 62a_100000211941_100000210334 [0,2,0,0,0,0|2,0,0]=4 5514 B13R1.622 COc1ccccc1SC(F)(F)F 62a_100000210334_200103152311 [0,2,0,0,0,0|2,0,0]=4 5515 B13R1.622 COc1ccccc1SC(F)(F)F 62a_200000243211_100000210334 [0,2,0,0,0,0|2,0,0]=4 5516 B13R1.622 CSc1ccccc1CC(C)(C)N 62a_100161000475_200000210301 [0,2,0,0,0,0|0,1,0]=3 5517 B13R1.622 CSc1ccccc1CC(C)(C)N 62a_200000210301_100161000475 [0,2,0,0,0,0|0,1,0]=3 5518 B13R1.622 CSc1ccccc1CC(F)(F)F 62a_100010220485_200000210301 [0,2,0,0,0,0|1,1,0]=4 5519 B13R1.622 CSc1ccccc1CC(F)(F)F 62a_200000210301_100010220485 [0,2,0,0,0,0|1,1,0]=4 5520 B13R1.622 [13CH3]Oc1ccccc1OC(F)(F)F 34a_100000700418_200025704644 [0,2,0,0,0,0|2,0,0]=4 5521 B13R1.622 [13CH3]Oc1ccccc1OC(F)(F)F 7a_100000700418_200025704644 [0,2,0,0,0,0|2,0,0]=4 5522 B13R1.622 [13CH3]Sc1ccccc1CC(F)(F)F 62a_100010220485_200025704644 [0,2,0,0,0,0|1,1,0]=4 5523 B13R1.622 [13CH3]Sc1ccccc1CC(F)(F)F 62a_200025704644_100010220485 [0,2,0,0,0,0|1,1,0]=4 5524 B13R1.2135 COc1cccc(c1CC(=O)C)Cl 1458a_100000070787_100012349678 [0,2,0,0,0,0|1,0,1]=4 5525 B13R1.2135 COc1cccc(c1CC(=O)C)F 1458a_100000070787_100011216731 [0,2,0,0,0,0|1,0,1]=4 5526 B13R1.2135 COc1cccc(c1CC(=O)C)F 1458a_100011216732_200000210301 [0,2,0,0,0,0|1,0,1]=4 5527 B13R1.2135 COc1cccc(c1CC(=O)[13CH3])F 1458a_100011216732_200025704644 [0,2,0,0,0,0|1,0,1]=4 5528 B13R1.2135 COc1cccc(c1CN(C)C)Br 270004a_100102631434_100009814803 [0,2,0,0,0,0|2,0,0]=4 5529 B13R1.2135 COc1cccc(c1CN(C)C)C 270004a_100102631434_100000050978 [0,2,0,0,0,0|2,0,0]=4 5530 B13R1.2135 COc1cccc(c1CN(C)C)Cl 2230a_100102631434_100012349678 [0,2,0,0,0,0|2,0,0]=4 5531 B13R1.2135 COc1cccc(c1CN(C)C)Cl 269982a_100102631434_100012349678 [0,2,0,0,0,0|2,0,0]=4 5532 B13R1.2135 COc1cccc(c1CN(C)C)Cl 270004a_100102631434_100000757644 [0,2,0,0,0,0|2,0,0]=4 5533 B13R1.2135 COc1cccc(c1CN(C)C)F 2230a_100102631434_100011216731 [0,2,0,0,0,0|2,0,0]=4 5534 B13R1.2135 COc1cccc(c1CN(C)C)F 269982a_100102631434_100011216731 [0,2,0,0,0,0|2,0,0]=4 5535 B13R1.2135 COc1cccc(c1CN(C)C)F 270004a_100102631434_100011216730 [0,2,0,0,0,0|2,0,0]=4 5536 B13R1.2135 COc1cccc(c1NC(C)C)Br 34a_100000708083_100000210206 [0,2,0,0,0,0|2,0,0]=4 5537 B13R1.2135 COc1cccc(c1NC(C)C)C 2230a_100000758225_100000210206 [0,2,0,0,0,0|2,0,0]=4 5538 B13R1.2135 COc1cccc(c1NC(C)C)C 34a_100000758225_100000210206 [0,2,0,0,0,0|2,0,0]=4 5539 B13R1.2135 COc1cccc(c1NC(C)C)Cl 34a_100011309317_100000210206 [0,2,0,0,0,0|2,0,0]=4 5540 B13R1.2135 COc1cccc(c1NC(C)C)F 34a_100000686744_100000210206 [0,2,0,0,0,0|2,0,0]=4 5541 B13R1.2135 COc1cccc(c1NC(C)C)O 34a_100012022766_100000210206 [0,2,0,0,0,0|2,0,0]=4 5542 B13R1.2135 COc1cccc(c1OC(C)C)Br 34a_100000686866_100000210206 [0,2,0,0,0,0|2,0,0]=4 5543 B13R1.2135 COc1cccc(c1OC(C)C)C 34a_100011219253_100000210206 [0,2,0,0,0,0|2,0,0]=4 5544 B13R1.2135 COc1cccc(c1OC(C)C)C 7a_100011219253_100000210206 [0,2,0,0,0,0|2,0,0]=4 5545 B13R1.2135 COc1cccc(c1OC(C)C)Cl 34a_100009851661_100000210206 [0,2,0,0,0,0|2,0,0]=4 5546 B13R1.2135 COc1cccc(c1OC(C)C)Cl 7a_100009851661_100000210206 [0,2,0,0,0,0|2,0,0]=4 5547 B13R1.2135 COc1cccc(c1OC(C)C)F 34a_100000036725_100000210206 [0,2,0,0,0,0|2,0,0]=4 5548 B13R1.2135 COc1cccc(c1OC(C)C)F 7a_100000036725_100000210206 [0,2,0,0,0,0|2,0,0]=4 5549 B13R1.2135 COc1cccc(c1OC(C)C)N 34a_100000123586_100000210206 [0,2,0,0,0,0|2,0,0]=4 5550 B13R1.2135 COc1cccc(c1SC(C)C)Br 62a_100000210206_100010131421 [0,2,0,0,0,0|2,0,0]=4 5551 B13R1.2135 COc1cccc(c1SC(C)C)Br 62a_100010131421_100000210206 [0,2,0,0,0,0|2,0,0]=4 5552 B13R1.2135 COc1cccc(c1SC(C)C)C 62a_100000210206_100010191535 [0,2,0,0,0,0|2,0,0]=4 5553 B13R1.2135 COc1cccc(c1SC(C)C)C 62a_100010191535_100000210206 [0,2,0,0,0,0|2,0,0]=4 5554 B13R1.2135 COc1cccc(c1SC(C)C)F 62a_100000210206_100000703912 [0,2,0,0,0,0|2,0,0]=4 5555 B13R1.2135 COc1cccc(c1SC(C)C)F 62a_100000703912_100000210206 [0,2,0,0,0,0|2,0,0]=4 5556 B13R1.2135 COc1cccc(c1SC(C)C)N 62a_100000210206_100000703447 [0,2,0,0,0,0|2,0,0]=4 5557 B13R1.2135 COc1cccc(c1SC(C)C)N 62a_100000703447_100000210206 [0,2,0,0,0,0|2,0,0]=4 5558 B13R1.2135 COc1cccc(c1SC(C)C)O 62a_100000210206_100010202623 [0,2,0,0,0,0|2,0,0]=4 5559 B13R1.3089 CC(=O)Cc1cc(ccc1O[13CH3])Br 34a_200010006938_200025704644 [0,2,0,0,0,0|1,0,1]=4 5560 B13R1.3089 CC(=O)Cc1cc(ccc1O[13CH3])Br 7a_200010006938_200025704644 [0,2,0,0,0,0|1,0,1]=4 5561 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 1458a_100000070787_100000204665 [0,2,0,0,0,0|1,0,1]=4 5562 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 1458a_100000763194_200000210301 [0,2,0,0,0,0|1,0,1]=4 5563 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 34a_200010006938_200000210301 [0,2,0,0,0,0|1,0,1]=4 5564 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 7a_200010006938_200000210301 [0,2,0,0,0,0|1,0,1]=4 5565 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000070787_100000199068 [0,2,0,0,0,0|1,0,1]=4 5566 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000204598_200000210301 [0,2,0,0,0,0|1,0,1]=4 5567 B13R1.3089 COc1ccc(cc1CC(=O)C)Cl 1458a_100000070787_100000209806 [0,2,0,0,0,0|1,0,1]=4 5568 B13R1.3089 COc1ccc(cc1CC(=O)C)Cl 1458a_100000209874_200000210301 [0,2,0,0,0,0|1,0,1]=4 5569 B13R1.3089 COc1ccc(cc1CC(=O)C)F 1458a_100000070787_100011830354 [0,2,0,0,0,0|1,0,1]=4 5570 B13R1.3089 COc1ccc(cc1CC(=O)C)F 1458a_100000707523_200000210301 [0,2,0,0,0,0|1,0,1]=4 5571 B13R1.3089 COc1ccc(cc1CC(=O)C)O 271570a_203496583355_200011493461 [0,2,0,0,0,0|1,0,1]=4 5572 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])Br 1458a_100000763194_200025704644 [0,2,0,0,0,0|1,0,1]=4 5573 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])C 1458a_100000204598_200025704644 [0,2,0,0,0,0|1,0,1]=4 5574 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])Cl 1458a_100000209874_200025704644 [0,2,0,0,0,0|1,0,1]=4 5575 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])F 1458a_100000707523_200025704644 [0,2,0,0,0,0|1,0,1]=4 5576 B13R1.3089 COc1ccc(cc1CN(C)C)Br 2230a_100000690607_200000210301 [0,2,0,0,0,0|2,0,0]=4 5577 B13R1.3089 COc1ccc(cc1CN(C)C)Br 2230a_100102631434_100000204665 [0,2,0,0,0,0|2,0,0]=4 5578 B13R1.3089 COc1ccc(cc1CN(C)C)Br 269982a_100000690607_200000210301 [0,2,0,0,0,0|2,0,0]=4 5579 B13R1.3089 COc1ccc(cc1CN(C)C)Br 269982a_100102631434_100000204665 [0,2,0,0,0,0|2,0,0]=4 5580 B13R1.3089 COc1ccc(cc1CN(C)C)Br 270004a_100102631434_100000170026 [0,2,0,0,0,0|2,0,0]=4 5581 B13R1.3089 COc1ccc(cc1CN(C)C)C 2230a_100102631434_100000199068 [0,2,0,0,0,0|2,0,0]=4 5582 B13R1.3089 COc1ccc(cc1CN(C)C)C 269982a_100102631434_100000199068 [0,2,0,0,0,0|2,0,0]=4 5583 B13R1.3089 COc1ccc(cc1CN(C)C)C 270004a_100102631434_100000203738 [0,2,0,0,0,0|2,0,0]=4 5584 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 2230a_100000737271_200000210301 [0,2,0,0,0,0|2,0,0]=4 5585 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 2230a_100102631434_100000209806 [0,2,0,0,0,0|2,0,0]=4 5586 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 269982a_100000737271_200000210301 [0,2,0,0,0,0|2,0,0]=4 5587 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 269982a_100102631434_100000209806 [0,2,0,0,0,0|2,0,0]=4 5588 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 270004a_100102631434_100000188328 [0,2,0,0,0,0|2,0,0]=4 5589 B13R1.3089 COc1ccc(cc1CN(C)C)F 2230a_100102631434_100011830354 [0,2,0,0,0,0|2,0,0]=4 5590 B13R1.3089 COc1ccc(cc1CN(C)C)F 269982a_100102631434_100011830354 [0,2,0,0,0,0|2,0,0]=4 5591 B13R1.3089 COc1ccc(cc1CN(C)C)F 270004a_100102631434_100000722865 [0,2,0,0,0,0|2,0,0]=4 5592 B13R1.3089 COc1ccc(cc1CN(C)C)I 270004a_100102631434_100011266407 [0,2,0,0,0,0|2,0,0]=4 5593 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Br 2230a_100000690607_200025704644 [0,2,0,0,0,0|2,0,0]=4 5594 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Br 269982a_100000690607_200025704644 [0,2,0,0,0,0|2,0,0]=4 5595 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Cl 2230a_100000737271_200025704644 [0,2,0,0,0,0|2,0,0]=4 5596 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Cl 269982a_100000737271_200025704644 [0,2,0,0,0,0|2,0,0]=4 5597 B13R1.3089 COc1ccc(cc1NC(C)C)Br 34a_100000743470_100000210206 [0,2,0,0,0,0|2,0,0]=4 5598 B13R1.3089 COc1ccc(cc1NC(C)C)C 2230a_100000210980_100000210206 [0,2,0,0,0,0|2,0,0]=4 5599 B13R1.3089 COc1ccc(cc1NC(C)C)C 34a_100000210980_100000210206 [0,2,0,0,0,0|2,0,0]=4 5600 B13R1.3089 COc1ccc(cc1NC(C)C)Cl 34a_100000182114_100000210206 [0,2,0,0,0,0|2,0,0]=4 5601 B13R1.3089 COc1ccc(cc1NC(C)C)F 34a_100000757179_100000210206 [0,2,0,0,0,0|2,0,0]=4 5602 B13R1.3089 COc1ccc(cc1OC(C)C)Br 34a_100009816560_100000210206 [0,2,0,0,0,0|2,0,0]=4 5603 B13R1.3089 COc1ccc(cc1OC(C)C)Br 7a_100009816560_100000210206 [0,2,0,0,0,0|2,0,0]=4 5604 B13R1.3089 COc1ccc(cc1OC(C)C)C 34a_100011216497_100000210206 [0,2,0,0,0,0|2,0,0]=4 5605 B13R1.3089 COc1ccc(cc1OC(C)C)C 7a_100011216497_100000210206 [0,2,0,0,0,0|2,0,0]=4 5606 B13R1.3089 COc1ccc(cc1OC(C)C)Cl 34a_100000101779_100000210206 [0,2,0,0,0,0|2,0,0]=4 5607 B13R1.3089 COc1ccc(cc1OC(C)C)Cl 7a_100000101779_100000210206 [0,2,0,0,0,0|2,0,0]=4 5608 B13R1.3089 COc1ccc(cc1OC(C)C)F 34a_100000034962_100000210206 [0,2,0,0,0,0|2,0,0]=4 5609 B13R1.3089 COc1ccc(cc1OC(C)C)F 7a_100000034962_100000210206 [0,2,0,0,0,0|2,0,0]=4 5610 B13R1.3089 COc1ccc(cc1OC(C)C)N 34a_100000211920_100000210206 [0,2,0,0,0,0|2,0,0]=4 5611 B13R1.3089 COc1ccc(cc1OC(C)C)O 271570a_203496583355_200010232110 [0,2,0,0,0,0|2,0,0]=4 5612 B13R1.3089 COc1ccc(cc1SC(C)C)Br 62a_100000210206_100012351588 [0,2,0,0,0,0|2,0,0]=4 5613 B13R1.3089 COc1ccc(cc1SC(C)C)Br 62a_100012351588_100000210206 [0,2,0,0,0,0|2,0,0]=4 5614 B13R1.3089 COc1ccc(cc1SC(C)C)C 62a_100000186399_100000210206 [0,2,0,0,0,0|2,0,0]=4 5615 B13R1.3089 COc1ccc(cc1SC(C)C)C 62a_100000210206_100000186399 [0,2,0,0,0,0|2,0,0]=4 5616 B13R1.3089 COc1ccc(cc1SC(C)C)Cl 62a_100000210206_100011215930 [0,2,0,0,0,0|2,0,0]=4 5617 B13R1.3089 COc1ccc(cc1SC(C)C)Cl 62a_100011215930_100000210206 [0,2,0,0,0,0|2,0,0]=4 5618 B13R1.3089 COc1ccc(cc1SC(C)C)F 62a_100000171694_100000210206 [0,2,0,0,0,0|2,0,0]=4 5619 B13R1.3089 COc1ccc(cc1SC(C)C)F 62a_100000210206_100000171694 [0,2,0,0,0,0|2,0,0]=4 5620 B13R1.3089 COc1ccc(cc1SC(C)C)N 62a_100000210206_100011356947 [0,2,0,0,0,0|2,0,0]=4 5621 B13R1.3089 COc1ccc(cc1SC(C)C)N 62a_100011356947_100000210206 [0,2,0,0,0,0|2,0,0]=4 5622 B13R1.3089 COc1ccc(cc1SC(C)C)O 62a_100000210206_100010234764 [0,2,0,0,0,0|2,0,0]=4 5623 B13R1.3089 COc1ccc(cc1SC(C)C)O 62a_100010234764_100000210206 [0,2,0,0,0,0|2,0,0]=4 5624 B13R1.92 CCC(NC)c1ccccc1OC 2230a_100016991433_200000210301 [0,2,0,0,0,0|1,0,0]=3 5625 B13R1.92 CCC(NC)c1ccccc1OC 269862a_106832991636_100000172531 [0,2,0,0,0,0|1,0,0]=3 5626 B13R1.92 CCC(N[13CH3])c1ccccc1OC 2230a_100016991433_200025704644 [0,2,0,0,0,0|1,0,0]=3 5627 B13R1.92 CCN(CC)c1ccccc1OC 2230a_100020603010_100000210202 [0,2,0,0,0,0|2,0,0]=4 5628 B13R1.92 CCN(CC)c1ccccc1OC 269982a_100020603010_100000204670 [0,2,0,0,0,0|2,0,0]=4 5629 B13R1.92 CCN(CF)c1ccccc1OC 269982a_100020603010_100015361967 [0,2,0,0,0,0|2,0,0]=4 5630 B13R1.92 CCc1ccccc1C(CC)NC 269862a_106832991636_100011217099 [0,2,0,0,0,0|2,0,0]=4 5631 B13R1.92 CNC(CO)c1ccccc1OC 2230a_100000756845_200000210301 [0,2,0,0,0,0|1,0,0]=3 5632 B13R1.92 COc1ccccc1C(CO)N[13CH3] 2230a_100000756845_200025704644 [0,2,0,0,0,0|1,0,0]=3 5633 B13R1.107 CCC(=O)c1cccc(c1OC)Br 1458a_100000689802_100000210202 [0,2,0,0,0,0|1,0,1]=4 5634 B13R1.107 CCC(=O)c1cccc(c1OC)C 1458a_100000187929_100000210202 [0,2,0,0,0,0|1,0,1]=4 5635 B13R1.107 CCC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100000210202 [0,2,0,0,0,0|1,0,1]=4 5636 B13R1.107 CCC(=O)c1cccc(c1OC)F 1458a_100011218433_100000210202 [0,2,0,0,0,0|1,0,1]=4 5637 B13R1.107 CCC(=O)c1cccc(c1OC)O 1458a_100000080799_100000210202 [0,2,0,0,0,0|1,0,1]=4 5638 B13R1.107 CNC(C)c1cccc(c1OC)Br 269862a_106832991636_100010725610 [0,2,0,0,0,0|2,0,0]=4 5639 B13R1.107 CNC(C)c1cccc(c1OC)C 269862a_106832991636_100000101305 [0,2,0,0,0,0|2,0,0]=4 5640 B13R1.107 CNC(C)c1cccc(c1OC)Cl 269862a_106832991636_100000090349 [0,2,0,0,0,0|2,0,0]=4 5641 B13R1.107 CNC(C)c1cccc(c1OC)F 269862a_106832991636_100012017355 [0,2,0,0,0,0|2,0,0]=4 5642 B13R1.107 COc1c(cccc1C(=O)CF)Br 1458a_100000689802_100015361967 [0,2,0,0,0,0|1,0,1]=4 5643 B13R1.107 COc1c(cccc1C(=O)CF)C 1458a_100000187929_100015361967 [0,2,0,0,0,0|1,0,1]=4 5644 B13R1.107 COc1c(cccc1C(=O)CF)Cl 1458a_100011934004_100015361967 [0,2,0,0,0,0|1,0,1]=4 5645 B13R1.107 COc1c(cccc1C(=O)CF)F 1458a_100011218433_100015361967 [0,2,0,0,0,0|1,0,1]=4 5646 B13R1.107 COc1c(cccc1C(=O)CF)O 1458a_100000080799_100015361967 [0,2,0,0,0,0|1,0,1]=4 5647 B13R1.107 COc1c(cccc1C(=O)NN)C 34a_100000193353_200000210301 [0,2,0,0,0,0|1,0,1]=4 5648 B13R1.107 Cc1cccc(c1O[13CH3])C(=O)NN 34a_100000193353_200025704644 [0,2,0,0,0,0|1,0,1]=4 5649 B13R1.382 C=C=Cc1ccccc1C(O)CN 271570a_100015277604_100011236429 [0,2,0,0,0,0|1,0,1]=4 5650 B13R1.382 CC=Cc1ccccc1C(O)CN 271570a_100016259895_100011236429 [0,2,0,0,0,0|1,0,0]=3 5651 B13R1.382 CC=Cc1ccccc1[C@H](N)CO 271570a_100016259895_100161155918 [0,2,0,0,0,0|2,0,0]=4 5652 B13R1.382 CCC(=O)c1ccccc1COC 1458a_100000737999_100000210202 [0,2,0,0,0,0|1,0,1]=4 5653 B13R1.382 CCC(=O)c1ccccc1OCF 7a_100000184720_100015361967 [0,2,0,0,0,0|1,0,1]=4 5654 B13R1.382 CCC(C)c1ccccc1CNC 26a_100102657272_100000211618 [0,2,0,0,0,0|2,0,0]=4 5655 B13R1.382 CCC(C)c1ccccc1NCF 7a_200000211393_100015361967 [0,2,0,0,0,0|2,0,0]=4 5656 B13R1.382 CCC(C)c1ccccc1OCF 7a_100000211618_100015361967 [0,2,0,0,0,0|1,0,0]=3 5657 B13R1.382 CCNc1ccccc1C(C)CC 2230a_200000211393_100000210202 [0,2,0,0,0,0|2,0,0]=4 5658 B13R1.382 CCNc1ccccc1C(C)CC 7a_200000211393_100000210202 [0,2,0,0,0,0|2,0,0]=4 5659 B13R1.382 CCOc1ccccc1C(=O)CBr 7a_100000188908_100000210202 [0,2,0,0,0,0|1,0,1]=4 5660 B13R1.382 CCOc1ccccc1C(=O)CC 1458a_100000211144_100000210202 [0,2,0,0,0,0|1,0,1]=4 5661 B13R1.382 CCOc1ccccc1C(=O)CC 7a_100000184720_100000210202 [0,2,0,0,0,0|1,0,1]=4 5662 B13R1.382 CCOc1ccccc1C(=O)CF 1458a_100000211144_100015361967 [0,2,0,0,0,0|1,0,1]=4 5663 B13R1.382 CCOc1ccccc1C(=O)NN 34a_100000186518_100000210202 [0,2,0,0,0,0|1,0,1]=4 5664 B13R1.382 CCOc1ccccc1C(=O)OC 7a_100000150335_100000210202 [0,2,0,0,0,0|2,0,0]=4 5665 B13R1.382 CCOc1ccccc1C(C)CC 7a_100000211618_100000210202 [0,2,0,0,0,0|1,0,0]=3 5666 B13R1.382 CCOc1ccccc1C(C)NC 2230a_100000737537_200000210301 [0,2,0,0,0,0|2,0,0]=4 5667 B13R1.382 CCOc1ccccc1C(C)NC 269862a_106832991636_100000172999 [0,2,0,0,0,0|2,0,0]=4 5668 B13R1.382 CCOc1ccccc1C(C)N[13CH3] 2230a_100000737537_200025704644 [0,2,0,0,0,0|2,0,0]=4 5669 B13R1.382 CCOc1ccccc1C(C)OC 7a_100000246524_200000210301 [0,2,0,0,0,0|2,0,0]=4 5670 B13R1.382 CCOc1ccccc1C(C)O[13CH3] 7a_100000246524_200025704644 [0,2,0,0,0,0|2,0,0]=4 5671 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000148710_100000210202 [0,2,0,0,0,0|2,0,0]=4 5672 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000210202_100000148710 [0,2,0,0,0,0|2,0,0]=4 5673 B13R1.382 CCSc1ccccc1C(O)CN 62a_100000210202_100011236429 [0,2,0,0,0,0|0,1,0]=3 5674 B13R1.382 CCSc1ccccc1C(O)CN 62a_100011236429_100000210202 [0,2,0,0,0,0|0,1,0]=3 5675 B13R1.382 CCSc1ccccc1[C@H](N)CO 62a_100000210202_100161155918 [0,2,0,0,0,0|1,1,0]=4 5676 B13R1.382 CCSc1ccccc1[C@H](N)CO 62a_100161155918_100000210202 [0,2,0,0,0,0|1,1,0]=4 5677 B13R1.382 CNCc1ccccc1C(=O)OC 2230a_106832991635_100000744672 [0,2,0,0,0,0|2,0,0]=4 5678 B13R1.382 CNCc1ccccc1C(=O)OC 34a_100102657272_100000744672 [0,2,0,0,0,0|2,0,0]=4 5679 B13R1.382 CNCc1ccccc1C(=O)OC 7a_106832991635_100000744672 [0,2,0,0,0,0|2,0,0]=4 5680 B13R1.382 COC(=O)c1ccccc1CSC 62a_100000744672_200000210301 [0,2,0,0,0,0|2,0,0]=4 5681 B13R1.382 COC(=O)c1ccccc1CSC 62a_200000210301_100000744672 [0,2,0,0,0,0|2,0,0]=4 5682 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_100000744672_200025704644 [0,2,0,0,0,0|2,0,0]=4 5683 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_200025704644_100000744672 [0,2,0,0,0,0|2,0,0]=4 5684 B13R1.382 COC(=O)c1ccccc1OCF 7a_100000150335_100015361967 [0,2,0,0,0,0|2,0,0]=4 5685 B13R1.382 COC(=O)c1ccccc1SCF 62a_100000148710_100015361967 [0,2,0,0,0,0|2,0,0]=4 5686 B13R1.382 COC(=O)c1ccccc1SCF 62a_100015361967_100000148710 [0,2,0,0,0,0|2,0,0]=4 5687 B13R1.382 COCc1ccccc1C(=O)CF 1458a_100000737999_100015361967 [0,2,0,0,0,0|1,0,1]=4 5688 B13R1.382 COCc1ccccc1C(=O)OC 34a_100138415774_100000744672 [0,2,0,0,0,0|2,0,0]=4 5689 B13R1.382 NCC(O)c1ccccc1SCF 62a_100011236429_100015361967 [0,2,0,0,0,0|0,1,0]=3 5690 B13R1.382 NCC(O)c1ccccc1SCF 62a_100015361967_100011236429 [0,2,0,0,0,0|0,1,0]=3 5691 B13R1.382 NNC(=O)c1ccccc1OCF 34a_100000186518_100015361967 [0,2,0,0,0,0|1,0,1]=4 5692 B13R1.382 N[C@H](CO)c1ccccc1SCF 62a_100015361967_100161155918 [0,2,0,0,0,0|1,1,0]=4 5693 B13R1.382 N[C@H](CO)c1ccccc1SCF 62a_100161155918_100015361967 [0,2,0,0,0,0|1,1,0]=4 5694 B13R1.382 O=C(CBr)c1ccccc1OCF 7a_100000188908_100015361967 [0,2,0,0,0,0|1,0,1]=4 5695 B13R1.464 C#CCC(=O)c1ccccc1OC 1458a_100000185835_100000184674 [0,2,0,0,0,0|1,0,1]=4 5696 B13R1.464 C#CCN(C)c1ccccc1OC 2230a_100000219746_100000038162 [0,2,0,0,0,0|1,0,1]=4 5697 B13R1.464 C#CCN(C)c1ccccc1OC 34a_100000219746_100000184674 [0,2,0,0,0,0|1,0,1]=4 5698 B13R1.464 C=CCC(=O)c1ccccc1OC 1458a_100000185835_100000210623 [0,2,0,0,0,0|1,0,1]=4 5699 B13R1.464 C=CCN(C)c1ccccc1OC 2230a_100000219746_100000210623 [0,2,0,0,0,0|1,0,1]=4 5700 B13R1.464 C=CCN(C)c1ccccc1OC 269982a_100000219746_100000210623 [0,2,0,0,0,0|1,0,1]=4 5701 B13R1.464 C=CCN(C)c1ccccc1OC 34a_100000219746_100015514636 [0,2,0,0,0,0|1,0,1]=4 5702 B13R1.464 CCCC(=O)c1ccccc1CC 1458a_100000689120_100000210303 [0,2,0,0,0,0|2,0,0]=4 5703 B13R1.464 CCCC(=O)c1ccccc1OC 1458a_100000185835_100000210303 [0,2,0,0,0,0|1,0,0]=3 5704 B13R1.464 CCCC(=O)c1ccccc1OC 34a_200000073644_200000210301 [0,2,0,0,0,0|1,0,0]=3 5705 B13R1.464 CCCC(=O)c1ccccc1OC 7a_200000073644_200000210301 [0,2,0,0,0,0|1,0,0]=3 5706 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 34a_200000073644_200025704644 [0,2,0,0,0,0|1,0,0]=3 5707 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 7a_200000073644_200025704644 [0,2,0,0,0,0|1,0,0]=3 5708 B13R1.464 CCCC(=O)c1ccccc1SC 1458a_100000183967_100000210303 [0,2,0,0,0,0|1,1,0]=4 5709 B13R1.464 CCCN(C)c1ccccc1OC 2230a_100000219746_100000210303 [0,2,0,0,0,0|1,0,0]=3 5710 B13R1.464 CCCN(C)c1ccccc1OC 269982a_100000219746_100000210303 [0,2,0,0,0,0|1,0,0]=3 5711 B13R1.464 CCCN(C)c1ccccc1OC 34a_100000219746_100000210303 [0,2,0,0,0,0|1,0,0]=3 5712 B13R1.464 CCNC(=O)c1ccccc1OC 11a_100015525214_100000185835 [0,2,0,0,0,0|1,0,1]=4 5713 B13R1.464 CCNC(=O)c1ccccc1OC 240690a_100015525214_100000185835 [0,2,0,0,0,0|1,0,1]=4 5714 B13R1.464 CCNC(=O)c1ccccc1OC 34a_100000192205_200000210301 [0,2,0,0,0,0|1,0,1]=4 5715 B13R1.464 CCNC(=O)c1ccccc1OC 527a_100015525214_100000185835 [0,2,0,0,0,0|1,0,1]=4 5716 B13R1.464 CCNC(=O)c1ccccc1OC 7a_100000192205_200000210301 [0,2,0,0,0,0|1,0,1]=4 5717 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 34a_100000192205_200025704644 [0,2,0,0,0,0|1,0,1]=4 5718 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 7a_100000192205_200025704644 [0,2,0,0,0,0|1,0,1]=4 5719 B13R1.464 CCNC(C)c1ccccc1OC 2230a_100000185323_100000210202 [0,2,0,0,0,0|1,0,0]=3 5720 B13R1.464 CCNC(C)c1ccccc1OC 269862a_100015525214_100000173324 [0,2,0,0,0,0|1,0,0]=3 5721 B13R1.464 CCNC(C)c1cccnc1OC 269862a_100015525214_100012184464 [0,2,0,0,0,0|2,0,0]=4 5722 B13R1.464 CCNC(C)c1ncccc1OC 269862a_100015525214_100012185210 [0,2,0,0,0,0|2,0,0]=4 5723 B13R1.464 CCOC(=O)c1ccccc1OC 7a_100000169922_200000210301 [0,2,0,0,0,0|1,0,1]=4 5724 B13R1.464 CCOC(=O)c1ccccc1O[13CH3] 7a_100000169922_200025704644 [0,2,0,0,0,0|1,0,1]=4 5725 B13R1.464 CCOC(C)c1ccccc1OC 7a_100000742714_100000210202 [0,2,0,0,0,0|1,0,0]=3 5726 B13R1.464 CCc1ccccc1C(=O)CCF 1458a_100000689120_100011217306 [0,2,0,0,0,0|2,0,0]=4 5727 B13R1.464 CCc1ccccc1C(=O)CCO 1458a_100000689120_100000211926 [0,2,0,0,0,0|2,0,0]=4 5728 B13R1.464 CNCC(=O)c1ccccc1OC 34a_100102657272_100000195505 [0,2,0,0,0,0|0,0,1]=3 5729 B13R1.464 CNCC(=O)c1ccccc1OC 7a_106832991635_100000195505 [0,2,0,0,0,0|0,0,1]=3 5730 B13R1.464 CNNC(=O)c1ccccc1OC 22a_100016993582_100000185835 [0,2,0,0,0,0|1,0,1]=4 5731 B13R1.464 COCC(=O)c1ccccc1OC 34a_100138415774_100000195505 [0,2,0,0,0,0|1,0,1]=4 5732 B13R1.464 COCC(N)c1ccccc1OC 34a_100000756845_200000210301 [0,2,0,0,0,0|1,0,0]=3 5733 B13R1.464 COCN(C)c1ccccc1OC 2230a_100000219746_100000766300 [0,2,0,0,0,0|2,0,0]=4 5734 B13R1.464 COCN(C)c1ccccc1OC 269982a_100000219746_100000766300 [0,2,0,0,0,0|2,0,0]=4 5735 B13R1.464 COc1ccccc1C(=O)CC#N 1458a_100000185835_100011214920 [0,2,0,0,0,0|0,0,2]=4 5736 B13R1.464 COc1ccccc1C(=O)CC#N 7a_200009873261_200000210301 [0,2,0,0,0,0|0,0,2]=4 5737 B13R1.464 COc1ccccc1C(=O)CCCl 7a_100009873196_200000210301 [0,2,0,0,0,0|1,0,0]=3 5738 B13R1.464 COc1ccccc1C(=O)CCF 1458a_100000185835_100011217306 [0,2,0,0,0,0|1,0,0]=3 5739 B13R1.464 COc1ccccc1C(=O)CCO 1458a_100000185835_100000211926 [0,2,0,0,0,0|1,0,0]=3 5740 B13R1.464 COc1ccccc1C(=O)CSC 62a_100000195505_200000210301 [0,2,0,0,0,0|1,0,1]=4 5741 B13R1.464 COc1ccccc1C(=O)CS[13CH3] 62a_100000195505_200025704644 [0,2,0,0,0,0|1,0,1]=4 5742 B13R1.464 COc1ccccc1C(C)OCF 7a_100000742714_100015361967 [0,2,0,0,0,0|1,0,0]=3 5743 B13R1.464 COc1ccccc1C(N)CO[13CH3] 34a_100000756845_200025704644 [0,2,0,0,0,0|1,0,0]=3 5744 B13R1.464 COc1ccccc1N(C)CC#N 2230a_100000219746_100011215382 [0,2,0,0,0,0|0,0,2]=4 5745 B13R1.464 COc1ccccc1N(C)CC#N 269982a_100000219746_100011214920 [0,2,0,0,0,0|0,0,2]=4 5746 B13R1.464 COc1ccccc1N(C)CC=O 2230a_100000219746_200015260668 [0,2,0,0,0,0|1,0,1]=4 5747 B13R1.464 COc1ccccc1N(C)CC=O 269982a_100000219746_200015260668 [0,2,0,0,0,0|1,0,1]=4 5748 B13R1.464 COc1ccccc1N(C)CC=O 34a_100000219746_200009817547 [0,2,0,0,0,0|1,0,1]=4 5749 B13R1.464 COc1ccccc1N(C)CCF 2230a_100000219746_100011217306 [0,2,0,0,0,0|1,0,0]=3 5750 B13R1.464 COc1ccccc1N(C)CCF 269982a_100000219746_100011217306 [0,2,0,0,0,0|1,0,0]=3 5751 B13R1.464 COc1ccccc1N(C)CCF 34a_100000219746_100011217306 [0,2,0,0,0,0|1,0,0]=3 5752 B13R1.464 COc1ccccc1N(C)CCO 2230a_100000219746_100000211926 [0,2,0,0,0,0|1,0,0]=3 5753 B13R1.464 COc1ccccc1N(C)CCO 269982a_100000219746_100000211926 [0,2,0,0,0,0|1,0,0]=3 5754 B13R1.464 COc1ccccc1N(C)CCO 34a_100000219746_100000211926 [0,2,0,0,0,0|1,0,0]=3 5755 B13R1.464 COc1ccccc1N(C)CSC 2230a_100000219746_100011218213 [0,2,0,0,0,0|2,0,0]=4 5756 B13R1.464 COc1ccccc1N(C)CSC 269982a_100000219746_100011218213 [0,2,0,0,0,0|2,0,0]=4 5757 B13R1.464 COc1ccccc1N(C)CSC 34a_100000219746_100011218213 [0,2,0,0,0,0|2,0,0]=4 5758 B13R1.464 CSc1ccccc1C(=O)CCF 1458a_100000183967_100011217306 [0,2,0,0,0,0|1,1,0]=4 5759 B13R1.464 CSc1ccccc1C(=O)CCO 1458a_100000183967_100000211926 [0,2,0,0,0,0|1,1,0]=4 5760 B13R1.464 [13CH3]Oc1ccccc1C(=O)CC#N 7a_200009873261_200025704644 [0,2,0,0,0,0|0,0,2]=4 5761 B13R1.464 [13CH3]Oc1ccccc1C(=O)CCCl 7a_100009873196_200025704644 [0,2,0,0,0,0|1,0,0]=3 5762 B13R1.547 C=C(C)c1ccccc1C(O)CN 271570a_100000694244_100011236429 [0,2,0,0,0,0|1,0,0]=3 5763 B13R1.547 C=C(C)c1ccccc1[C@H](N)CO 271570a_100000694244_100161155918 [0,2,0,0,0,0|2,0,0]=4 5764 B13R1.2065 CCC(=O)c1ccc(cc1OC)Br 1458a_100000748230_100000210202 [0,2,0,0,0,0|1,0,1]=4 5765 B13R1.2065 CCC(=O)c1ccc(cc1OC)C 1458a_100000217210_100000210202 [0,2,0,0,0,0|1,0,1]=4 5766 B13R1.2065 CCC(=O)c1ccc(cc1OC)Cl 1458a_100000217211_100000210202 [0,2,0,0,0,0|1,0,1]=4 5767 B13R1.2065 CCC(=O)c1ccc(cc1OC)F 1458a_100000239970_100000210202 [0,2,0,0,0,0|1,0,1]=4 5768 B13R1.2065 CCC(=O)c1ccc(cc1OC)I 1458a_100012353712_100000210202 [0,2,0,0,0,0|1,0,1]=4 5769 B13R1.2065 CCN(C)c1ccc(cc1OC)Cl 2230a_100000061351_100000210202 [0,2,0,0,0,0|2,0,0]=4 5770 B13R1.2065 CCN(C)c1ccc(cc1OC)Cl 269982a_100000061351_100000204670 [0,2,0,0,0,0|2,0,0]=4 5771 B13R1.2065 CCN(C)c1ccc(cc1OC)Cl 34a_100000061351_100000210202 [0,2,0,0,0,0|2,0,0]=4 5772 B13R1.2065 CCN(C)c1ccc(cc1OC)F 2230a_100020633920_100000210202 [0,2,0,0,0,0|2,0,0]=4 5773 B13R1.2065 CCN(C)c1ccc(cc1OC)F 269982a_100020633920_100000204670 [0,2,0,0,0,0|2,0,0]=4 5774 B13R1.2065 CCN(C)c1ccc(cc1OC)F 34a_100020633920_100000210202 [0,2,0,0,0,0|2,0,0]=4 5775 B13R1.2065 CCN(C)c1ccc(cc1OC)F 38a_100020633920_100000204670 [0,2,0,0,0,0|2,0,0]=4 5776 B13R1.2065 CNC(C)c1ccc(cc1OC)Br 269862a_106832991636_100000709911 [0,2,0,0,0,0|2,0,0]=4 5777 B13R1.2065 CNC(C)c1ccc(cc1OC)C 269862a_106832991636_100000234786 [0,2,0,0,0,0|2,0,0]=4 5778 B13R1.2065 CNC(C)c1ccc(cc1OC)Cl 269862a_106832991636_100011551334 [0,2,0,0,0,0|2,0,0]=4 5779 B13R1.2065 CNC(C)c1ccc(cc1OC)F 269862a_106832991636_100011218476 [0,2,0,0,0,0|2,0,0]=4 5780 B13R1.2065 COc1cc(ccc1C(=O)CBr)F 7a_100009817053_200000210301 [0,2,0,0,0,0|1,0,1]=4 5781 B13R1.2065 COc1cc(ccc1C(=O)CF)Br 1458a_100000748230_100015361967 [0,2,0,0,0,0|1,0,1]=4 5782 B13R1.2065 COc1cc(ccc1C(=O)CF)C 1458a_100000217210_100015361967 [0,2,0,0,0,0|1,0,1]=4 5783 B13R1.2065 COc1cc(ccc1C(=O)CF)Cl 1458a_100000217211_100015361967 [0,2,0,0,0,0|1,0,1]=4 5784 B13R1.2065 COc1cc(ccc1C(=O)CF)F 1458a_100000239970_100015361967 [0,2,0,0,0,0|1,0,1]=4 5785 B13R1.2065 COc1cc(ccc1C(=O)CF)I 1458a_100012353712_100015361967 [0,2,0,0,0,0|1,0,1]=4 5786 B13R1.2065 COc1cc(ccc1C(=O)NN)C 34a_100000193368_200000210301 [0,2,0,0,0,0|1,0,1]=4 5787 B13R1.2065 COc1cc(ccc1C(=O)NN)Cl 34a_100000193371_200000210301 [0,2,0,0,0,0|1,0,1]=4 5788 B13R1.2065 COc1cc(ccc1C(=O)NN)N 34a_200000020778_200000210301 [0,2,0,0,0,0|1,0,1]=4 5789 B13R1.2065 COc1cc(ccc1N(C)CF)Cl 269982a_100000061351_100015361967 [0,2,0,0,0,0|2,0,0]=4 5790 B13R1.2065 COc1cc(ccc1N(C)CF)Cl 34a_100000061351_100015361967 [0,2,0,0,0,0|2,0,0]=4 5791 B13R1.2065 COc1cc(ccc1N(C)CF)F 269982a_100020633920_100015361967 [0,2,0,0,0,0|2,0,0]=4 5792 B13R1.2065 COc1cc(ccc1N(C)CF)F 34a_100020633920_100015361967 [0,2,0,0,0,0|2,0,0]=4 5793 B13R1.2065 COc1cc(ccc1N(C)CF)F 38a_100020633920_100015361967 [0,2,0,0,0,0|2,0,0]=4 5794 B13R1.2065 COc1cc(ccc1[C@@H](N)CO)F 34a_100138412282_200000210301 [0,2,0,0,0,0|1,0,0]=3 5795 B13R1.2065 Cc1ccc(c(c1)O[13CH3])C(=O)NN 34a_100000193368_200025704644 [0,2,0,0,0,0|1,0,1]=4 5796 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)CBr)F 7a_100009817053_200025704644 [0,2,0,0,0,0|1,0,1]=4 5797 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)NN)Cl 34a_100000193371_200025704644 [0,2,0,0,0,0|1,0,1]=4 5798 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)NN)N 34a_200000020778_200025704644 [0,2,0,0,0,0|1,0,1]=4 5799 B13R1.2065 [13CH3]Oc1cc(ccc1[C@@H](N)CO)F 34a_100138412282_200025704644 [0,2,0,0,0,0|1,0,0]=3 5800 B13R1.2129 CCC(C)(C)c1ccccc1OC 7a_100000065868_200000210301 [0,2,0,0,0,0|1,0,0]=3 5801 B13R1.2129 CCC(C)(C)c1ccccc1O[13CH3] 7a_100000065868_200025704644 [0,2,0,0,0,0|1,0,0]=3 5802 B13R1.2209 CCC(=O)c1cc(ccc1OC)Br 1458a_100000188853_100000210202 [0,2,0,0,0,0|1,0,1]=4 5803 B13R1.2209 CCC(=O)c1cc(ccc1OC)Br 7a_100000183607_200000210301 [0,2,0,0,0,0|1,0,1]=4 5804 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 1458a_100000204667_100000210202 [0,2,0,0,0,0|1,0,1]=4 5805 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 7a_100000183590_200000210301 [0,2,0,0,0,0|1,0,1]=4 5806 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl 1458a_100000211409_100000210202 [0,2,0,0,0,0|1,0,1]=4 5807 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl 7a_100000181482_200000210301 [0,2,0,0,0,0|1,0,1]=4 5808 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 1458a_100000735445_100000210202 [0,2,0,0,0,0|1,0,1]=4 5809 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 34a_100000183209_200000210301 [0,2,0,0,0,0|1,0,1]=4 5810 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 7a_100000183209_200000210301 [0,2,0,0,0,0|1,0,1]=4 5811 B13R1.2209 CCC(=O)c1cc(ccc1OC)I 1458a_100000230898_100000210202 [0,2,0,0,0,0|1,0,1]=4 5812 B13R1.2209 CCC(=O)c1cc(ccc1OC)O 1458a_200000100057_100000210202 [0,2,0,0,0,0|1,0,1]=4 5813 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])Br 7a_100000183607_200025704644 [0,2,0,0,0,0|1,0,1]=4 5814 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])C 7a_100000183590_200025704644 [0,2,0,0,0,0|1,0,1]=4 5815 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000181482_200025704644 [0,2,0,0,0,0|1,0,1]=4 5816 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])F 34a_100000183209_200025704644 [0,2,0,0,0,0|1,0,1]=4 5817 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])F 7a_100000183209_200025704644 [0,2,0,0,0,0|1,0,1]=4 5818 B13R1.2209 CNC(C)c1cc(ccc1OC)Br 269862a_106832991636_100000173343 [0,2,0,0,0,0|2,0,0]=4 5819 B13R1.2209 CNC(C)c1cc(ccc1OC)C 269862a_106832991636_100000212259 [0,2,0,0,0,0|2,0,0]=4 5820 B13R1.2209 CNC(C)c1cc(ccc1OC)Cl 2230a_100011217627_200000210301 [0,2,0,0,0,0|2,0,0]=4 5821 B13R1.2209 CNC(C)c1cc(ccc1OC)Cl 269862a_106832991636_100000173345 [0,2,0,0,0,0|2,0,0]=4 5822 B13R1.2209 CNC(C)c1cc(ccc1OC)Cl 34a_100011217627_200000210301 [0,2,0,0,0,0|2,0,0]=4 5823 B13R1.2209 CNC(C)c1cc(ccc1OC)F 269862a_106832991636_100000173341 [0,2,0,0,0,0|2,0,0]=4 5824 B13R1.2209 COc1ccc(cc1C(=O)CBr)Br 7a_200009828000_200000210301 [0,2,0,0,0,0|1,0,1]=4 5825 B13R1.2209 COc1ccc(cc1C(=O)CBr)Cl 7a_200009816716_200000210301 [0,2,0,0,0,0|1,0,1]=4 5826 B13R1.2209 COc1ccc(cc1C(=O)CBr)F 7a_100009814381_200000210301 [0,2,0,0,0,0|1,0,1]=4 5827 B13R1.2209 COc1ccc(cc1C(=O)CCl)F 7a_100000047744_200000210301 [0,2,0,0,0,0|1,0,1]=4 5828 B13R1.2209 COc1ccc(cc1C(=O)CF)Br 1458a_100000188853_100015361967 [0,2,0,0,0,0|1,0,1]=4 5829 B13R1.2209 COc1ccc(cc1C(=O)CF)C 1458a_100000204667_100015361967 [0,2,0,0,0,0|1,0,1]=4 5830 B13R1.2209 COc1ccc(cc1C(=O)CF)Cl 1458a_100000211409_100015361967 [0,2,0,0,0,0|1,0,1]=4 5831 B13R1.2209 COc1ccc(cc1C(=O)CF)F 1458a_100000735445_100015361967 [0,2,0,0,0,0|1,0,1]=4 5832 B13R1.2209 COc1ccc(cc1C(=O)CF)I 1458a_100000230898_100015361967 [0,2,0,0,0,0|1,0,1]=4 5833 B13R1.2209 COc1ccc(cc1C(=O)CF)O 1458a_200000100057_100015361967 [0,2,0,0,0,0|1,0,1]=4 5834 B13R1.2209 COc1ccc(cc1C(=O)NN)Br 34a_100000193350_200000210301 [0,2,0,0,0,0|1,0,1]=4 5835 B13R1.2209 COc1ccc(cc1C(=O)NN)C 34a_200000193374_200000210301 [0,2,0,0,0,0|1,0,1]=4 5836 B13R1.2209 COc1ccc(cc1C(C)N[13CH3])Cl 2230a_100011217627_200025704644 [0,2,0,0,0,0|2,0,0]=4 5837 B13R1.2209 COc1ccc(cc1C(C)N[13CH3])Cl 34a_100011217627_200025704644 [0,2,0,0,0,0|2,0,0]=4 5838 B13R1.2209 COc1ccc(cc1C(C)OC)Cl 34a_100011598618_200000210301 [0,2,0,0,0,0|2,0,0]=4 5839 B13R1.2209 COc1ccc(cc1C(C)OC)Cl 7a_100011598618_200000210301 [0,2,0,0,0,0|2,0,0]=4 5840 B13R1.2209 COc1ccc(cc1C(C)OC)F 34a_100011305292_200000210301 [0,2,0,0,0,0|2,0,0]=4 5841 B13R1.2209 COc1ccc(cc1C(C)OC)F 7a_100011305292_200000210301 [0,2,0,0,0,0|2,0,0]=4 5842 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])Cl 34a_100011598618_200025704644 [0,2,0,0,0,0|2,0,0]=4 5843 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])Cl 7a_100011598618_200025704644 [0,2,0,0,0,0|2,0,0]=4 5844 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])F 34a_100011305292_200025704644 [0,2,0,0,0,0|2,0,0]=4 5845 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])F 7a_100011305292_200025704644 [0,2,0,0,0,0|2,0,0]=4 5846 B13R1.2209 Cc1ccc(c(c1)C(=O)NN)O[13CH3] 34a_200000193374_200025704644 [0,2,0,0,0,0|1,0,1]=4 5847 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)Br 7a_200009828000_200025704644 [0,2,0,0,0,0|1,0,1]=4 5848 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)Cl 7a_200009816716_200025704644 [0,2,0,0,0,0|1,0,1]=4 5849 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)F 7a_100009814381_200025704644 [0,2,0,0,0,0|1,0,1]=4 5850 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CCl)F 7a_100000047744_200025704644 [0,2,0,0,0,0|1,0,1]=4 5851 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)NN)Br 34a_100000193350_200025704644 [0,2,0,0,0,0|1,0,1]=4 5852 B13R1.2357 CCC(=O)c1c(cccc1OC)Br 1458a_100011593405_100000210202 [0,2,0,0,0,0|1,0,1]=4 5853 B13R1.2357 CCC(=O)c1c(cccc1OC)C 1458a_100000066212_100000210202 [0,2,0,0,0,0|1,0,1]=4 5854 B13R1.2357 CCC(=O)c1c(cccc1OC)Cl 1458a_100000743539_100000210202 [0,2,0,0,0,0|1,0,1]=4 5855 B13R1.2357 CCC(=O)c1c(cccc1OC)F 1458a_100000759380_100000210202 [0,2,0,0,0,0|1,0,1]=4 5856 B13R1.2357 CCC(=O)c1c(cccc1OC)I 1458a_100010179659_100000210202 [0,2,0,0,0,0|1,0,1]=4 5857 B13R1.2357 CCC(=O)c1c(cccc1OC)O 1458a_100000043310_100000210202 [0,2,0,0,0,0|1,0,1]=4 5858 B13R1.2357 CN[C@@H](C)c1c(cccc1OC)F 2230a_100025712826_200000210301 [0,2,0,0,0,0|2,0,0]=4 5859 B13R1.2357 CN[C@@H](C)c1c(cccc1OC)F 34a_100025712826_200000210301 [0,2,0,0,0,0|2,0,0]=4 5860 B13R1.2357 COc1cccc(c1C(=O)CF)Br 1458a_100011593405_100015361967 [0,2,0,0,0,0|1,0,1]=4 5861 B13R1.2357 COc1cccc(c1C(=O)CF)C 1458a_100000066212_100015361967 [0,2,0,0,0,0|1,0,1]=4 5862 B13R1.2357 COc1cccc(c1C(=O)CF)Cl 1458a_100000743539_100015361967 [0,2,0,0,0,0|1,0,1]=4 5863 B13R1.2357 COc1cccc(c1C(=O)CF)F 1458a_100000759380_100015361967 [0,2,0,0,0,0|1,0,1]=4 5864 B13R1.2357 COc1cccc(c1C(=O)CF)I 1458a_100010179659_100015361967 [0,2,0,0,0,0|1,0,1]=4 5865 B13R1.2357 COc1cccc(c1C(=O)CF)O 1458a_100000043310_100015361967 [0,2,0,0,0,0|1,0,1]=4 5866 B13R1.2357 COc1cccc(c1[C@H](C)N[13CH3])F 2230a_100025712826_200025704644 [0,2,0,0,0,0|2,0,0]=4 5867 B13R1.2357 COc1cccc(c1[C@H](C)N[13CH3])F 34a_100025712826_200025704644 [0,2,0,0,0,0|2,0,0]=4 5868 B13R1.73 C#CCNc1ccc(cc1OC)Br 34a_100011279103_100000184674 [0,2,0,0,0,0|1,0,1]=4 5869 B13R1.73 C#CCNc1ccc(cc1OC)C 2230a_100000746441_100000038162 [0,2,0,0,0,0|1,0,1]=4 5870 B13R1.73 C#CCNc1ccc(cc1OC)C 34a_100000746441_100000184674 [0,2,0,0,0,0|1,0,1]=4 5871 B13R1.73 C#CCNc1ccc(cc1OC)Cl 34a_100000707585_100000184674 [0,2,0,0,0,0|1,0,1]=4 5872 B13R1.73 C#CCNc1ccc(cc1OC)F 34a_100000737216_100000184674 [0,2,0,0,0,0|1,0,1]=4 5873 B13R1.73 C#CCNc1ccc(cc1OC)I 34a_100015196925_100000184674 [0,2,0,0,0,0|1,0,1]=4 5874 B13R1.73 C#CCNc1ccc(cc1OC)O 34a_100015326901_100000184674 [0,2,0,0,0,0|1,0,1]=4 5875 B13R1.73 C#CCOc1ccc(cc1OC)Br 34a_100000694246_100000184674 [0,2,0,0,0,0|1,0,1]=4 5876 B13R1.73 C#CCOc1ccc(cc1OC)Br 7a_100000694246_100000038162 [0,2,0,0,0,0|1,0,1]=4 5877 B13R1.73 C#CCOc1ccc(cc1OC)C 34a_100000186466_100000184674 [0,2,0,0,0,0|1,0,1]=4 5878 B13R1.73 C#CCOc1ccc(cc1OC)Cl 34a_100000033002_100000184674 [0,2,0,0,0,0|1,0,1]=4 5879 B13R1.73 C#CCOc1ccc(cc1OC)F 34a_100000036057_100000184674 [0,2,0,0,0,0|1,0,1]=4 5880 B13R1.73 C#CCOc1ccc(cc1OC)F 7a_100000036057_100000038162 [0,2,0,0,0,0|1,0,1]=4 5881 B13R1.73 C#CCOc1ccc(cc1OC)I 34a_100000049635_100000184674 [0,2,0,0,0,0|1,0,1]=4 5882 B13R1.73 C#CCOc1ccc(cc1OC)N 34a_100000726020_100000184674 [0,2,0,0,0,0|1,0,1]=4 5883 B13R1.73 C#CCSc1ccc(cc1OC)Br 62a_100000038162_100010245111 [0,2,0,0,0,0|1,0,1]=4 5884 B13R1.73 C#CCSc1ccc(cc1OC)C 62a_100000038162_100010200004 [0,2,0,0,0,0|1,0,1]=4 5885 B13R1.73 C#CCSc1ccc(cc1OC)Cl 62a_100000038162_100000050115 [0,2,0,0,0,0|1,0,1]=4 5886 B13R1.73 C#CCSc1ccc(cc1OC)F 62a_100000038162_100000757151 [0,2,0,0,0,0|1,0,1]=4 5887 B13R1.73 C#CCSc1ccc(cc1OC)N 62a_100000038162_100000765947 [0,2,0,0,0,0|1,0,1]=4 5888 B13R1.73 C#CCSc1ccc(cc1OC)O 62a_100000038162_100011827694 [0,2,0,0,0,0|1,0,1]=4 5889 B13R1.73 C=CCNc1ccc(cc1OC)Br 34a_100011279103_100015514636 [0,2,0,0,0,0|1,0,1]=4 5890 B13R1.73 C=CCNc1ccc(cc1OC)C 2230a_100000746441_100000210623 [0,2,0,0,0,0|1,0,1]=4 5891 B13R1.73 C=CCNc1ccc(cc1OC)C 34a_100000746441_100015514636 [0,2,0,0,0,0|1,0,1]=4 5892 B13R1.73 C=CCNc1ccc(cc1OC)Cl 34a_100000707585_100015514636 [0,2,0,0,0,0|1,0,1]=4 5893 B13R1.73 C=CCNc1ccc(cc1OC)F 34a_100000737216_100015514636 [0,2,0,0,0,0|1,0,1]=4 5894 B13R1.73 C=CCNc1ccc(cc1OC)I 34a_100015196925_100015514636 [0,2,0,0,0,0|1,0,1]=4 5895 B13R1.73 C=CCNc1ccc(cc1OC)O 34a_100015326901_100015514636 [0,2,0,0,0,0|1,0,1]=4 5896 B13R1.73 C=CCOc1ccc(cc1OC)Br 34a_100000694246_100015514636 [0,2,0,0,0,0|1,0,1]=4 5897 B13R1.73 C=CCOc1ccc(cc1OC)Br 7a_100000694246_100015514636 [0,2,0,0,0,0|1,0,1]=4 5898 B13R1.73 C=CCOc1ccc(cc1OC)C 34a_100000186466_100015514636 [0,2,0,0,0,0|1,0,1]=4 5899 B13R1.73 C=CCOc1ccc(cc1OC)Cl 34a_100000033002_100015514636 [0,2,0,0,0,0|1,0,1]=4 5900 B13R1.73 C=CCOc1ccc(cc1OC)F 34a_100000036057_100015514636 [0,2,0,0,0,0|1,0,1]=4 5901 B13R1.73 C=CCOc1ccc(cc1OC)F 7a_100000036057_100015514636 [0,2,0,0,0,0|1,0,1]=4 5902 B13R1.73 C=CCOc1ccc(cc1OC)I 34a_100000049635_100015514636 [0,2,0,0,0,0|1,0,1]=4 5903 B13R1.73 C=CCOc1ccc(cc1OC)N 34a_100000726020_100015514636 [0,2,0,0,0,0|1,0,1]=4 5904 B13R1.73 C=CCSc1ccc(cc1OC)Br 62a_100000210623_100010245111 [0,2,0,0,0,0|1,0,1]=4 5905 B13R1.73 C=CCSc1ccc(cc1OC)Br 62a_100010245111_100000210623 [0,2,0,0,0,0|1,0,1]=4 5906 B13R1.73 C=CCSc1ccc(cc1OC)C 62a_100000210623_100010200004 [0,2,0,0,0,0|1,0,1]=4 5907 B13R1.73 C=CCSc1ccc(cc1OC)C 62a_100010200004_100000210623 [0,2,0,0,0,0|1,0,1]=4 5908 B13R1.73 C=CCSc1ccc(cc1OC)Cl 62a_100000050115_100000210623 [0,2,0,0,0,0|1,0,1]=4 5909 B13R1.73 C=CCSc1ccc(cc1OC)Cl 62a_100000210623_100000050115 [0,2,0,0,0,0|1,0,1]=4 5910 B13R1.73 C=CCSc1ccc(cc1OC)F 62a_100000210623_100000757151 [0,2,0,0,0,0|1,0,1]=4 5911 B13R1.73 C=CCSc1ccc(cc1OC)F 62a_100000757151_100000210623 [0,2,0,0,0,0|1,0,1]=4 5912 B13R1.73 C=CCSc1ccc(cc1OC)N 62a_100000210623_100000765947 [0,2,0,0,0,0|1,0,1]=4 5913 B13R1.73 C=CCSc1ccc(cc1OC)N 62a_100000765947_100000210623 [0,2,0,0,0,0|1,0,1]=4 5914 B13R1.73 C=CCSc1ccc(cc1OC)O 62a_100000210623_100011827694 [0,2,0,0,0,0|1,0,1]=4 5915 B13R1.73 C=Cc1cc(ccc1OCCN)C 271570a_100011290941_100025744979 [0,2,0,0,0,0|1,0,1]=4 5916 B13R1.73 CCCCc1ccc(cc1CC)Br 271570a_100020621405_100011216195 [0,2,0,0,0,0|2,0,0]=4 5917 B13R1.73 CCCCc1ccc(cc1CC)N 271570a_100020621405_100010109747 [0,2,0,0,0,0|2,0,0]=4 5918 B13R1.73 CCCCc1ccc(cc1NC)F 271570a_100020621405_100020633008 [0,2,0,0,0,0|2,0,0]=4 5919 B13R1.73 CCCCc1ccc(cc1OC)Br 271570a_100020621405_100010245111 [0,2,0,0,0,0|1,0,0]=3 5920 B13R1.73 CCCCc1ccc(cc1OC)C 271570a_100020621405_100010200004 [0,2,0,0,0,0|1,0,0]=3 5921 B13R1.73 CCCCc1ccc(cc1OC)Cl 271570a_100020621405_100000050115 [0,2,0,0,0,0|1,0,0]=3 5922 B13R1.73 CCCCc1ccc(cc1OC)F 271570a_100020621405_100000757151 [0,2,0,0,0,0|1,0,0]=3 5923 B13R1.73 CCCCc1ccc(cc1OC)N 271570a_100020621405_100000765947 [0,2,0,0,0,0|1,0,0]=3 5924 B13R1.73 CCCCc1ccc(cc1OC)O 271570a_100020621405_100011827694 [0,2,0,0,0,0|1,0,0]=3 5925 B13R1.73 CCCCc1ccc(cc1SC)C 271570a_100020621405_200010709736 [0,2,0,0,0,0|1,1,0]=4 5926 B13R1.73 CCCCc1ccc(nc1OC)C 271570a_100020621405_100010138632 [0,2,0,0,0,0|2,0,0]=4 5927 B13R1.73 CCCCc1ccc(nc1OC)N 271570a_100020621405_100010187630 [0,2,0,0,0,0|2,0,0]=4 5928 B13R1.73 CCCCc1cnc(cc1OC)C 271570a_100020621405_100000717771 [0,2,0,0,0,0|2,0,0]=4 5929 B13R1.73 CCCCc1cnc(cc1OC)Cl 271570a_100020621405_100010154656 [0,2,0,0,0,0|2,0,0]=4 5930 B13R1.73 CCCCc1cnc(cc1OC)F 271570a_100020621405_100010135560 [0,2,0,0,0,0|2,0,0]=4 5931 B13R1.73 CCCCc1cnc(cc1OC)N 271570a_100020621405_100015506990 [0,2,0,0,0,0|2,0,0]=4 5932 B13R1.73 CCCCc1ncc(cc1OC)C 271570a_100020621405_200000118316 [0,2,0,0,0,0|2,0,0]=4 5933 B13R1.73 CCCCc1ncc(cc1OC)F 271570a_100020621405_100009867738 [0,2,0,0,0,0|2,0,0]=4 5934 B13R1.73 CCCCc1ncc(cc1OC)N 271570a_100020621405_100000097218 [0,2,0,0,0,0|2,0,0]=4 5935 B13R1.73 CCCNc1ccc(cc1CC)Br 2230a_100000686106_100000210303 [0,2,0,0,0,0|2,0,0]=4 5936 B13R1.73 CCCNc1ccc(cc1CC)Br 34a_100000686106_100000210303 [0,2,0,0,0,0|2,0,0]=4 5937 B13R1.73 CCCNc1ccc(cc1CC)Br 7a_100000686106_100000210303 [0,2,0,0,0,0|2,0,0]=4 5938 B13R1.73 CCCNc1ccc(cc1CC)Cl 2230a_100012017146_100000210303 [0,2,0,0,0,0|2,0,0]=4 5939 B13R1.73 CCCNc1ccc(cc1CC)Cl 34a_100012017146_100000210303 [0,2,0,0,0,0|2,0,0]=4 5940 B13R1.73 CCCNc1ccc(cc1CC)Cl 7a_100012017146_100000210303 [0,2,0,0,0,0|2,0,0]=4 5941 B13R1.73 CCCNc1ccc(cc1CC)I 2230a_100000014069_100000210303 [0,2,0,0,0,0|2,0,0]=4 5942 B13R1.73 CCCNc1ccc(cc1CC)I 34a_100000014069_100000210303 [0,2,0,0,0,0|2,0,0]=4 5943 B13R1.73 CCCNc1ccc(cc1CC)I 7a_100000014069_100000210303 [0,2,0,0,0,0|2,0,0]=4 5944 B13R1.73 CCCNc1ccc(cc1OC)Br 34a_100011279103_100000210303 [0,2,0,0,0,0|1,0,0]=3 5945 B13R1.73 CCCNc1ccc(cc1OC)C 2230a_100000746441_100000210303 [0,2,0,0,0,0|1,0,0]=3 5946 B13R1.73 CCCNc1ccc(cc1OC)C 34a_100000746441_100000210303 [0,2,0,0,0,0|1,0,0]=3 5947 B13R1.73 CCCNc1ccc(cc1OC)Cl 34a_100000707585_100000210303 [0,2,0,0,0,0|1,0,0]=3 5948 B13R1.73 CCCNc1ccc(cc1OC)F 34a_100000737216_100000210303 [0,2,0,0,0,0|1,0,0]=3 5949 B13R1.73 CCCNc1ccc(cc1OC)I 34a_100015196925_100000210303 [0,2,0,0,0,0|1,0,0]=3 5950 B13R1.73 CCCNc1ccc(cc1OC)O 34a_100015326901_100000210303 [0,2,0,0,0,0|1,0,0]=3 5951 B13R1.73 CCCOc1ccc(cc1CC)Br 34a_100012338938_100000210303 [0,2,0,0,0,0|2,0,0]=4 5952 B13R1.73 CCCOc1ccc(cc1CC)Br 7a_100012338938_100000210303 [0,2,0,0,0,0|2,0,0]=4 5953 B13R1.73 CCCOc1ccc(cc1CC)C 34a_100009844793_100000210303 [0,2,0,0,0,0|2,0,0]=4 5954 B13R1.73 CCCOc1ccc(cc1CC)C 7a_100009844793_100000210303 [0,2,0,0,0,0|2,0,0]=4 5955 B13R1.73 CCCOc1ccc(cc1CC)F 34a_200000035566_100000210303 [0,2,0,0,0,0|2,0,0]=4 5956 B13R1.73 CCCOc1ccc(cc1CC)F 7a_200000035566_100000210303 [0,2,0,0,0,0|2,0,0]=4 5957 B13R1.73 CCCOc1ccc(cc1NC)Cl 34a_100000742233_200000210301 [0,2,0,0,0,0|2,0,0]=4 5958 B13R1.73 CCCOc1ccc(cc1NC)Cl 7a_100000742233_200000210301 [0,2,0,0,0,0|2,0,0]=4 5959 B13R1.73 CCCOc1ccc(cc1NC)F 27a_100102657272_200000171698 [0,2,0,0,0,0|2,0,0]=4 5960 B13R1.73 CCCOc1ccc(cc1N[13CH3])Cl 34a_100000742233_200025704644 [0,2,0,0,0,0|2,0,0]=4 5961 B13R1.73 CCCOc1ccc(cc1N[13CH3])Cl 7a_100000742233_200025704644 [0,2,0,0,0,0|2,0,0]=4 5962 B13R1.73 CCCOc1ccc(cc1OC)Br 34a_100000694246_100000210303 [0,2,0,0,0,0|1,0,0]=3 5963 B13R1.73 CCCOc1ccc(cc1OC)Br 7a_100000694246_100000210303 [0,2,0,0,0,0|1,0,0]=3 5964 B13R1.73 CCCOc1ccc(cc1OC)C 34a_100000186466_100000210303 [0,2,0,0,0,0|1,0,0]=3 5965 B13R1.73 CCCOc1ccc(cc1OC)Cl 34a_100000033002_100000210303 [0,2,0,0,0,0|1,0,0]=3 5966 B13R1.73 CCCOc1ccc(cc1OC)F 34a_100000036057_100000210303 [0,2,0,0,0,0|1,0,0]=3 5967 B13R1.73 CCCOc1ccc(cc1OC)F 7a_100000036057_100000210303 [0,2,0,0,0,0|1,0,0]=3 5968 B13R1.73 CCCOc1ccc(cc1OC)I 34a_100000049635_100000210303 [0,2,0,0,0,0|1,0,0]=3 5969 B13R1.73 CCCOc1ccc(cc1OC)N 34a_100000726020_100000210303 [0,2,0,0,0,0|1,0,0]=3 5970 B13R1.73 CCCOc1ccc(cc1SC)F 62a_200000171698_200000210301 [0,2,0,0,0,0|1,1,0]=4 5971 B13R1.73 CCCOc1ccc(cc1SC)F 62a_200000210301_200000171698 [0,2,0,0,0,0|1,1,0]=4 5972 B13R1.73 CCCOc1ccc(cc1S[13CH3])F 62a_200000171698_200025704644 [0,2,0,0,0,0|1,1,0]=4 5973 B13R1.73 CCCOc1ccc(cc1S[13CH3])F 62a_200025704644_200000171698 [0,2,0,0,0,0|1,1,0]=4 5974 B13R1.73 CCCOc1ccc(nc1OC)Br 34a_100010893133_100000210303 [0,2,0,0,0,0|2,0,0]=4 5975 B13R1.73 CCCOc1ncc(cc1OC)Cl 34a_200009845368_100000210303 [0,2,0,0,0,0|2,0,0]=4 5976 B13R1.73 CCCSc1ccc(cc1CC)Br 62a_100000210303_100011216195 [0,2,0,0,0,0|2,0,0]=4 5977 B13R1.73 CCCSc1ccc(cc1CC)Br 62a_100011216195_100000210303 [0,2,0,0,0,0|2,0,0]=4 5978 B13R1.73 CCCSc1ccc(cc1CC)N 62a_100000210303_100010109747 [0,2,0,0,0,0|2,0,0]=4 5979 B13R1.73 CCCSc1ccc(cc1CC)N 62a_100010109747_100000210303 [0,2,0,0,0,0|2,0,0]=4 5980 B13R1.73 CCCSc1ccc(cc1NC)F 62a_100000210303_100020633008 [0,2,0,0,0,0|2,0,0]=4 5981 B13R1.73 CCCSc1ccc(cc1NC)F 62a_100020633008_100000210303 [0,2,0,0,0,0|2,0,0]=4 5982 B13R1.73 CCCSc1ccc(cc1OC)Br 62a_100000210303_100010245111 [0,2,0,0,0,0|1,0,0]=3 5983 B13R1.73 CCCSc1ccc(cc1OC)Br 62a_100010245111_100000210303 [0,2,0,0,0,0|1,0,0]=3 5984 B13R1.73 CCCSc1ccc(cc1OC)C 62a_100000210303_100010200004 [0,2,0,0,0,0|1,0,0]=3 5985 B13R1.73 CCCSc1ccc(cc1OC)C 62a_100010200004_100000210303 [0,2,0,0,0,0|1,0,0]=3 5986 B13R1.73 CCCSc1ccc(cc1OC)Cl 62a_100000050115_100000210303 [0,2,0,0,0,0|1,0,0]=3 5987 B13R1.73 CCCSc1ccc(cc1OC)Cl 62a_100000210303_100000050115 [0,2,0,0,0,0|1,0,0]=3 5988 B13R1.73 CCCSc1ccc(cc1OC)F 62a_100000210303_100000757151 [0,2,0,0,0,0|1,0,0]=3 5989 B13R1.73 CCCSc1ccc(cc1OC)F 62a_100000757151_100000210303 [0,2,0,0,0,0|1,0,0]=3 5990 B13R1.73 CCCSc1ccc(cc1OC)N 62a_100000210303_100000765947 [0,2,0,0,0,0|1,0,0]=3 5991 B13R1.73 CCCSc1ccc(cc1OC)N 62a_100000765947_100000210303 [0,2,0,0,0,0|1,0,0]=3 5992 B13R1.73 CCCSc1ccc(cc1OC)O 62a_100000210303_100011827694 [0,2,0,0,0,0|1,0,0]=3 5993 B13R1.73 CCCSc1ccc(cc1SC)C 62a_100000210303_200010709736 [0,2,0,0,0,0|1,1,0]=4 5994 B13R1.73 CCCSc1ccc(cc1SC)C 62a_200010709736_100000210303 [0,2,0,0,0,0|1,1,0]=4 5995 B13R1.73 CCCSc1ccc(nc1OC)C 62a_100000210303_100010138632 [0,2,0,0,0,0|2,0,0]=4 5996 B13R1.73 CCCSc1ccc(nc1OC)C 62a_100010138632_100000210303 [0,2,0,0,0,0|2,0,0]=4 5997 B13R1.73 CCCSc1ccc(nc1OC)N 62a_100000210303_100010187630 [0,2,0,0,0,0|2,0,0]=4 5998 B13R1.73 CCCSc1ccc(nc1OC)N 62a_100010187630_100000210303 [0,2,0,0,0,0|2,0,0]=4 5999 B13R1.73 CCCSc1cnc(cc1OC)C 62a_100000210303_100000717771 [0,2,0,0,0,0|2,0,0]=4 6000 B13R1.73 CCCSc1cnc(cc1OC)C 62a_100000717771_100000210303 [0,2,0,0,0,0|2,0,0]=4 6001 B13R1.73 CCCSc1cnc(cc1OC)Cl 62a_100000210303_100010154656 [0,2,0,0,0,0|2,0,0]=4 6002 B13R1.73 CCCSc1cnc(cc1OC)Cl 62a_100010154656_100000210303 [0,2,0,0,0,0|2,0,0]=4 6003 B13R1.73 CCCSc1cnc(cc1OC)F 62a_100000210303_100010135560 [0,2,0,0,0,0|2,0,0]=4 6004 B13R1.73 CCCSc1cnc(cc1OC)F 62a_100010135560_100000210303 [0,2,0,0,0,0|2,0,0]=4 6005 B13R1.73 CCCSc1cnc(cc1OC)N 62a_100000210303_100015506990 [0,2,0,0,0,0|2,0,0]=4 6006 B13R1.73 CCCSc1cnc(cc1OC)N 62a_100015506990_100000210303 [0,2,0,0,0,0|2,0,0]=4 6007 B13R1.73 CCCSc1ncc(cc1OC)C 62a_100000210303_200000118316 [0,2,0,0,0,0|2,0,0]=4 6008 B13R1.73 CCCSc1ncc(cc1OC)F 62a_100000210303_100009867738 [0,2,0,0,0,0|2,0,0]=4 6009 B13R1.73 CCCSc1ncc(cc1OC)F 62a_100010136273_100000210303 [0,2,0,0,0,0|2,0,0]=4 6010 B13R1.73 CCCSc1ncc(cc1OC)N 62a_100000210303_100000097218 [0,2,0,0,0,0|2,0,0]=4 6011 B13R1.73 CCCSc1ncc(cc1OC)N 62a_200010291755_100000210303 [0,2,0,0,0,0|2,0,0]=4 6012 B13R1.73 CCNCc1ccc(cc1CC)Br 207a_100015525214_100010209654 [0,2,0,0,0,0|2,0,0]=4 6013 B13R1.73 CCNCc1ccc(cc1CC)Br 269862a_100015525214_100010209654 [0,2,0,0,0,0|2,0,0]=4 6014 B13R1.73 CCNCc1ccc(cc1CC)Br 270004a_100015525214_100010209654 [0,2,0,0,0,0|2,0,0]=4 6015 B13R1.73 CCNCc1ccc(cc1OC)Br 207a_100015525214_100000697075 [0,2,0,0,0,0|1,0,0]=3 6016 B13R1.73 CCNCc1ccc(cc1OC)Br 2230a_100015525214_100012359436 [0,2,0,0,0,0|1,0,0]=3 6017 B13R1.73 CCNCc1ccc(cc1OC)Br 270004a_100015525214_100000697075 [0,2,0,0,0,0|1,0,0]=3 6018 B13R1.73 CCNCc1ccc(cc1OC)C 207a_100015525214_100000689369 [0,2,0,0,0,0|1,0,0]=3 6019 B13R1.73 CCNCc1ccc(cc1OC)C 270004a_100015525214_100000689369 [0,2,0,0,0,0|1,0,0]=3 6020 B13R1.73 CCNCc1ccc(cc1OC)Cl 207a_100015525214_100000235374 [0,2,0,0,0,0|1,0,0]=3 6021 B13R1.73 CCNCc1ccc(cc1OC)Cl 270004a_100015525214_100000235374 [0,2,0,0,0,0|1,0,0]=3 6022 B13R1.73 CCNCc1ccc(cc1OC)F 207a_100015525214_100000042785 [0,2,0,0,0,0|1,0,0]=3 6023 B13R1.73 CCNCc1ccc(cc1OC)F 2230a_100015525214_200010171551 [0,2,0,0,0,0|1,0,0]=3 6024 B13R1.73 CCNCc1ccc(cc1OC)F 270004a_100015525214_100000042785 [0,2,0,0,0,0|1,0,0]=3 6025 B13R1.73 CCNCc1ccc(cc1OC)F 34a_100000062129_100000210202 [0,2,0,0,0,0|1,0,0]=3 6026 B13R1.73 CCNCc1ccc(cc1OC)I 207a_100015525214_100010290300 [0,2,0,0,0,0|1,0,0]=3 6027 B13R1.73 CCNCc1ccc(nc1OC)Br 2230a_100015525214_100016029037 [0,2,0,0,0,0|2,0,0]=4 6028 B13R1.73 CCNCc1ccc(nc1OC)Cl 2230a_100015687481_100000210202 [0,2,0,0,0,0|2,0,0]=4 6029 B13R1.73 CCNCc1ccc(nc1OC)Cl 34a_100015687481_100000210202 [0,2,0,0,0,0|2,0,0]=4 6030 B13R1.73 CCNCc1ncc(cc1OC)Br 207a_100015525214_100010246152 [0,2,0,0,0,0|2,0,0]=4 6031 B13R1.73 CCNCc1ncc(cc1OC)Br 270004a_100015525214_100010246152 [0,2,0,0,0,0|2,0,0]=4 6032 B13R1.73 CCOCc1ccc(cc1OC)Br 34a_100011277633_100000210202 [0,2,0,0,0,0|1,0,0]=3 6033 B13R1.73 CCOCc1ccc(cc1OC)Br 34a_100121572206_100012359436 [0,2,0,0,0,0|1,0,0]=3 6034 B13R1.73 CCOCc1ccc(cc1OC)Br 7a_100011277633_100000210202 [0,2,0,0,0,0|1,0,0]=3 6035 B13R1.73 CCOCc1ccc(cc1OC)C 34a_200012017176_100000210202 [0,2,0,0,0,0|1,0,0]=3 6036 B13R1.73 CCOCc1ccc(cc1OC)C 7a_200012017176_100000210202 [0,2,0,0,0,0|1,0,0]=3 6037 B13R1.73 CCOCc1ccc(cc1OC)Cl 34a_200011215853_100000210202 [0,2,0,0,0,0|1,0,0]=3 6038 B13R1.73 CCOCc1ccc(cc1OC)Cl 7a_200011215853_100000210202 [0,2,0,0,0,0|1,0,0]=3 6039 B13R1.73 CCOCc1ccc(cc1OC)F 34a_100000117171_100000210202 [0,2,0,0,0,0|1,0,0]=3 6040 B13R1.73 CCOCc1ccc(cc1OC)F 34a_100121572206_200010171551 [0,2,0,0,0,0|1,0,0]=3 6041 B13R1.73 CCOCc1ccc(cc1OC)F 7a_100000117171_100000210202 [0,2,0,0,0,0|1,0,0]=3 6042 B13R1.73 CCOCc1ccc(cc1OC)I 34a_100010233823_100000210202 [0,2,0,0,0,0|1,0,0]=3 6043 B13R1.73 CCOCc1ccc(cc1OC)I 7a_100010233823_100000210202 [0,2,0,0,0,0|1,0,0]=3 6044 B13R1.73 CCOCc1ccc(cc1OC)N 34a_100012183141_100000210202 [0,2,0,0,0,0|1,0,0]=3 6045 B13R1.73 CCOCc1ccc(nc1OC)Br 34a_100010988397_100000210202 [0,2,0,0,0,0|2,0,0]=4 6046 B13R1.73 CCOCc1ccc(nc1OC)Br 34a_100121572206_100016029037 [0,2,0,0,0,0|2,0,0]=4 6047 B13R1.73 CCOCc1ccc(nc1OC)Cl 34a_200009869906_100000210202 [0,2,0,0,0,0|2,0,0]=4 6048 B13R1.73 CCOCc1cnc(cc1OC)Cl 34a_100010714672_100000210202 [0,2,0,0,0,0|2,0,0]=4 6049 B13R1.73 CCOCc1ncc(cc1OC)Br 34a_200010246159_100000210202 [0,2,0,0,0,0|2,0,0]=4 6050 B13R1.73 CCOCc1ncc(cc1OC)Br 7a_200010246159_100000210202 [0,2,0,0,0,0|2,0,0]=4 6051 B13R1.73 CCSCc1ccc(cc1OC)Br 62a_100000210202_100012359436 [0,2,0,0,0,0|1,0,0]=3 6052 B13R1.73 CCSCc1ccc(cc1OC)Br 62a_100012359436_100000210202 [0,2,0,0,0,0|1,0,0]=3 6053 B13R1.73 CCSCc1ccc(cc1OC)F 62a_100000210202_200010171551 [0,2,0,0,0,0|1,0,0]=3 6054 B13R1.73 CCSCc1ccc(cc1OC)F 62a_200010171551_100000210202 [0,2,0,0,0,0|1,0,0]=3 6055 B13R1.73 CCSCc1ccc(nc1OC)Br 62a_100000210202_100016029037 [0,2,0,0,0,0|2,0,0]=4 6056 B13R1.73 CCSCc1ccc(nc1OC)Br 62a_100016029037_100000210202 [0,2,0,0,0,0|2,0,0]=4 6057 B13R1.73 CCc1cc(ccc1NCCF)Br 2230a_100000686106_100011217306 [0,2,0,0,0,0|2,0,0]=4 6058 B13R1.73 CCc1cc(ccc1NCCF)Br 34a_100000686106_100011217306 [0,2,0,0,0,0|2,0,0]=4 6059 B13R1.73 CCc1cc(ccc1NCCF)Br 7a_100000686106_100011217306 [0,2,0,0,0,0|2,0,0]=4 6060 B13R1.73 CCc1cc(ccc1NCCF)Cl 2230a_100012017146_100011217306 [0,2,0,0,0,0|2,0,0]=4 6061 B13R1.73 CCc1cc(ccc1NCCF)Cl 34a_100012017146_100011217306 [0,2,0,0,0,0|2,0,0]=4 6062 B13R1.73 CCc1cc(ccc1NCCF)Cl 7a_100012017146_100011217306 [0,2,0,0,0,0|2,0,0]=4 6063 B13R1.73 CCc1cc(ccc1NCCF)I 2230a_100000014069_100011217306 [0,2,0,0,0,0|2,0,0]=4 6064 B13R1.73 CCc1cc(ccc1NCCF)I 34a_100000014069_100011217306 [0,2,0,0,0,0|2,0,0]=4 6065 B13R1.73 CCc1cc(ccc1NCCF)I 7a_100000014069_100011217306 [0,2,0,0,0,0|2,0,0]=4 6066 B13R1.73 CCc1cc(ccc1NCCO)Br 2230a_100000686106_100000211926 [0,2,0,0,0,0|2,0,0]=4 6067 B13R1.73 CCc1cc(ccc1NCCO)Br 34a_100000686106_100000211926 [0,2,0,0,0,0|2,0,0]=4 6068 B13R1.73 CCc1cc(ccc1NCCO)Br 7a_100000686106_100000211926 [0,2,0,0,0,0|2,0,0]=4 6069 B13R1.73 CCc1cc(ccc1NCCO)Cl 2230a_100012017146_100000211926 [0,2,0,0,0,0|2,0,0]=4 6070 B13R1.73 CCc1cc(ccc1NCCO)Cl 34a_100012017146_100000211926 [0,2,0,0,0,0|2,0,0]=4 6071 B13R1.73 CCc1cc(ccc1NCCO)Cl 7a_100012017146_100000211926 [0,2,0,0,0,0|2,0,0]=4 6072 B13R1.73 CCc1cc(ccc1NCCO)I 2230a_100000014069_100000211926 [0,2,0,0,0,0|2,0,0]=4 6073 B13R1.73 CCc1cc(ccc1NCCO)I 34a_100000014069_100000211926 [0,2,0,0,0,0|2,0,0]=4 6074 B13R1.73 CCc1cc(ccc1NCCO)I 7a_100000014069_100000211926 [0,2,0,0,0,0|2,0,0]=4 6075 B13R1.73 CCc1cc(ccc1OCCF)Br 34a_100012338938_100011217306 [0,2,0,0,0,0|2,0,0]=4 6076 B13R1.73 CCc1cc(ccc1OCCF)Br 7a_100012338938_100011217306 [0,2,0,0,0,0|2,0,0]=4 6077 B13R1.73 CCc1cc(ccc1OCCF)C 34a_100009844793_100011217306 [0,2,0,0,0,0|2,0,0]=4 6078 B13R1.73 CCc1cc(ccc1OCCF)C 7a_100009844793_100011217306 [0,2,0,0,0,0|2,0,0]=4 6079 B13R1.73 CCc1cc(ccc1OCCF)F 34a_200000035566_100011217306 [0,2,0,0,0,0|2,0,0]=4 6080 B13R1.73 CCc1cc(ccc1OCCF)F 7a_200000035566_100011217306 [0,2,0,0,0,0|2,0,0]=4 6081 B13R1.73 CCc1cc(ccc1OCCO)Br 34a_100012338938_100000211926 [0,2,0,0,0,0|2,0,0]=4 6082 B13R1.73 CCc1cc(ccc1OCCO)Br 7a_100012338938_100000211926 [0,2,0,0,0,0|2,0,0]=4 6083 B13R1.73 CCc1cc(ccc1OCCO)C 34a_100009844793_100000211926 [0,2,0,0,0,0|2,0,0]=4 6084 B13R1.73 CCc1cc(ccc1OCCO)C 7a_100009844793_100000211926 [0,2,0,0,0,0|2,0,0]=4 6085 B13R1.73 CCc1cc(ccc1OCCO)F 34a_200000035566_100000211926 [0,2,0,0,0,0|2,0,0]=4 6086 B13R1.73 CCc1cc(ccc1OCCO)F 7a_200000035566_100000211926 [0,2,0,0,0,0|2,0,0]=4 6087 B13R1.73 CCc1cc(ccc1SCCF)Br 62a_100011216195_100011217306 [0,2,0,0,0,0|2,0,0]=4 6088 B13R1.73 CCc1cc(ccc1SCCF)Br 62a_100011217306_100011216195 [0,2,0,0,0,0|2,0,0]=4 6089 B13R1.73 CCc1cc(ccc1SCCF)N 62a_100010109747_100011217306 [0,2,0,0,0,0|2,0,0]=4 6090 B13R1.73 CCc1cc(ccc1SCCF)N 62a_100011217306_100010109747 [0,2,0,0,0,0|2,0,0]=4 6091 B13R1.73 CCc1cc(ccc1SCCO)Br 62a_100000211926_100011216195 [0,2,0,0,0,0|2,0,0]=4 6092 B13R1.73 CCc1cc(ccc1SCCO)Br 62a_100011216195_100000211926 [0,2,0,0,0,0|2,0,0]=4 6093 B13R1.73 CCc1cc(ccc1SCCO)N 62a_100000211926_100010109747 [0,2,0,0,0,0|2,0,0]=4 6094 B13R1.73 CCc1cc(ccc1SCCO)N 62a_100010109747_100000211926 [0,2,0,0,0,0|2,0,0]=4 6095 B13R1.73 CNc1cc(ccc1SCCF)F 62a_100011217306_100020633008 [0,2,0,0,0,0|2,0,0]=4 6096 B13R1.73 CNc1cc(ccc1SCCF)F 62a_100020633008_100011217306 [0,2,0,0,0,0|2,0,0]=4 6097 B13R1.73 CNc1cc(ccc1SCCO)F 62a_100000211926_100020633008 [0,2,0,0,0,0|2,0,0]=4 6098 B13R1.73 CNc1cc(ccc1SCCO)F 62a_100020633008_100000211926 [0,2,0,0,0,0|2,0,0]=4 6099 B13R1.73 COCNc1ccc(cc1OC)C 2230a_100000746441_100000766300 [0,2,0,0,0,0|2,0,0]=4 6100 B13R1.73 COCSc1ccc(cc1OC)Br 62a_100000766300_100010245111 [0,2,0,0,0,0|2,0,0]=4 6101 B13R1.73 COCSc1ccc(cc1OC)Br 62a_100010245111_100000766300 [0,2,0,0,0,0|2,0,0]=4 6102 B13R1.73 COCSc1ccc(cc1OC)C 62a_100000766300_100010200004 [0,2,0,0,0,0|2,0,0]=4 6103 B13R1.73 COCSc1ccc(cc1OC)C 62a_100010200004_100000766300 [0,2,0,0,0,0|2,0,0]=4 6104 B13R1.73 COCSc1ccc(cc1OC)Cl 62a_100000050115_100000766300 [0,2,0,0,0,0|2,0,0]=4 6105 B13R1.73 COCSc1ccc(cc1OC)Cl 62a_100000766300_100000050115 [0,2,0,0,0,0|2,0,0]=4 6106 B13R1.73 COCSc1ccc(cc1OC)F 62a_100000757151_100000766300 [0,2,0,0,0,0|2,0,0]=4 6107 B13R1.73 COCSc1ccc(cc1OC)F 62a_100000766300_100000757151 [0,2,0,0,0,0|2,0,0]=4 6108 B13R1.73 COCSc1ccc(cc1OC)N 62a_100000765947_100000766300 [0,2,0,0,0,0|2,0,0]=4 6109 B13R1.73 COCSc1ccc(cc1OC)N 62a_100000766300_100000765947 [0,2,0,0,0,0|2,0,0]=4 6110 B13R1.73 COCSc1ccc(cc1OC)O 62a_100000766300_100011827694 [0,2,0,0,0,0|2,0,0]=4 6111 B13R1.73 COc1cc(ccc1CNCF)F 34a_100000062129_100015361967 [0,2,0,0,0,0|1,0,0]=3 6112 B13R1.73 COc1cc(ccc1COCF)Br 34a_100011277633_100015361967 [0,2,0,0,0,0|1,0,0]=3 6113 B13R1.73 COc1cc(ccc1COCF)Br 7a_100011277633_100015361967 [0,2,0,0,0,0|1,0,0]=3 6114 B13R1.73 COc1cc(ccc1COCF)C 34a_200012017176_100015361967 [0,2,0,0,0,0|1,0,0]=3 6115 B13R1.73 COc1cc(ccc1COCF)C 7a_200012017176_100015361967 [0,2,0,0,0,0|1,0,0]=3 6116 B13R1.73 COc1cc(ccc1COCF)Cl 34a_200011215853_100015361967 [0,2,0,0,0,0|1,0,0]=3 6117 B13R1.73 COc1cc(ccc1COCF)Cl 7a_200011215853_100015361967 [0,2,0,0,0,0|1,0,0]=3 6118 B13R1.73 COc1cc(ccc1COCF)F 34a_100000117171_100015361967 [0,2,0,0,0,0|1,0,0]=3 6119 B13R1.73 COc1cc(ccc1COCF)F 7a_100000117171_100015361967 [0,2,0,0,0,0|1,0,0]=3 6120 B13R1.73 COc1cc(ccc1COCF)I 34a_100010233823_100015361967 [0,2,0,0,0,0|1,0,0]=3 6121 B13R1.73 COc1cc(ccc1COCF)I 7a_100010233823_100015361967 [0,2,0,0,0,0|1,0,0]=3 6122 B13R1.73 COc1cc(ccc1COCF)N 34a_100012183141_100015361967 [0,2,0,0,0,0|1,0,0]=3 6123 B13R1.73 COc1cc(ccc1CSCF)Br 62a_100012359436_100015361967 [0,2,0,0,0,0|1,0,0]=3 6124 B13R1.73 COc1cc(ccc1CSCF)Br 62a_100015361967_100012359436 [0,2,0,0,0,0|1,0,0]=3 6125 B13R1.73 COc1cc(ccc1CSCF)F 62a_100015361967_200010171551 [0,2,0,0,0,0|1,0,0]=3 6126 B13R1.73 COc1cc(ccc1CSCF)F 62a_200010171551_100015361967 [0,2,0,0,0,0|1,0,0]=3 6127 B13R1.73 COc1cc(ccc1NCC#N)C 2230a_100000746441_100011215382 [0,2,0,0,0,0|0,0,2]=4 6128 B13R1.73 COc1cc(ccc1NCC=O)Br 34a_100011279103_200009817547 [0,2,0,0,0,0|1,0,1]=4 6129 B13R1.73 COc1cc(ccc1NCC=O)C 2230a_100000746441_200015260668 [0,2,0,0,0,0|1,0,1]=4 6130 B13R1.73 COc1cc(ccc1NCC=O)C 34a_100000746441_200009817547 [0,2,0,0,0,0|1,0,1]=4 6131 B13R1.73 COc1cc(ccc1NCC=O)Cl 34a_100000707585_200009817547 [0,2,0,0,0,0|1,0,1]=4 6132 B13R1.73 COc1cc(ccc1NCC=O)F 34a_100000737216_200009817547 [0,2,0,0,0,0|1,0,1]=4 6133 B13R1.73 COc1cc(ccc1NCC=O)I 34a_100015196925_200009817547 [0,2,0,0,0,0|1,0,1]=4 6134 B13R1.73 COc1cc(ccc1NCC=O)O 34a_100015326901_200009817547 [0,2,0,0,0,0|1,0,1]=4 6135 B13R1.73 COc1cc(ccc1NCCF)Br 34a_100011279103_100011217306 [0,2,0,0,0,0|1,0,0]=3 6136 B13R1.73 COc1cc(ccc1NCCF)C 2230a_100000746441_100011217306 [0,2,0,0,0,0|1,0,0]=3 6137 B13R1.73 COc1cc(ccc1NCCF)C 34a_100000746441_100011217306 [0,2,0,0,0,0|1,0,0]=3 6138 B13R1.73 COc1cc(ccc1NCCF)Cl 34a_100000707585_100011217306 [0,2,0,0,0,0|1,0,0]=3 6139 B13R1.73 COc1cc(ccc1NCCF)F 34a_100000737216_100011217306 [0,2,0,0,0,0|1,0,0]=3 6140 B13R1.73 COc1cc(ccc1NCCF)I 34a_100015196925_100011217306 [0,2,0,0,0,0|1,0,0]=3 6141 B13R1.73 COc1cc(ccc1NCCF)O 34a_100015326901_100011217306 [0,2,0,0,0,0|1,0,0]=3 6142 B13R1.73 COc1cc(ccc1NCCO)Br 34a_100011279103_100000211926 [0,2,0,0,0,0|1,0,0]=3 6143 B13R1.73 COc1cc(ccc1NCCO)C 2230a_100000746441_100000211926 [0,2,0,0,0,0|1,0,0]=3 6144 B13R1.73 COc1cc(ccc1NCCO)C 34a_100000746441_100000211926 [0,2,0,0,0,0|1,0,0]=3 6145 B13R1.73 COc1cc(ccc1NCCO)Cl 34a_100000707585_100000211926 [0,2,0,0,0,0|1,0,0]=3 6146 B13R1.73 COc1cc(ccc1NCCO)F 34a_100000737216_100000211926 [0,2,0,0,0,0|1,0,0]=3 6147 B13R1.73 COc1cc(ccc1NCCO)I 34a_100015196925_100000211926 [0,2,0,0,0,0|1,0,0]=3 6148 B13R1.73 COc1cc(ccc1NCCO)O 34a_100015326901_100000211926 [0,2,0,0,0,0|1,0,0]=3 6149 B13R1.73 COc1cc(ccc1NCSC)Br 34a_100011279103_100011218213 [0,2,0,0,0,0|2,0,0]=4 6150 B13R1.73 COc1cc(ccc1NCSC)C 2230a_100000746441_100011218213 [0,2,0,0,0,0|2,0,0]=4 6151 B13R1.73 COc1cc(ccc1NCSC)C 34a_100000746441_100011218213 [0,2,0,0,0,0|2,0,0]=4 6152 B13R1.73 COc1cc(ccc1NCSC)Cl 34a_100000707585_100011218213 [0,2,0,0,0,0|2,0,0]=4 6153 B13R1.73 COc1cc(ccc1NCSC)F 34a_100000737216_100011218213 [0,2,0,0,0,0|2,0,0]=4 6154 B13R1.73 COc1cc(ccc1NCSC)I 34a_100015196925_100011218213 [0,2,0,0,0,0|2,0,0]=4 6155 B13R1.73 COc1cc(ccc1NCSC)O 34a_100015326901_100011218213 [0,2,0,0,0,0|2,0,0]=4 6156 B13R1.73 COc1cc(ccc1OCC#N)Br 7a_100000694246_100011215382 [0,2,0,0,0,0|0,0,2]=4 6157 B13R1.73 COc1cc(ccc1OCC#N)F 7a_100000036057_100011215382 [0,2,0,0,0,0|0,0,2]=4 6158 B13R1.73 COc1cc(ccc1OCC=O)Br 34a_100000694246_200009817547 [0,2,0,0,0,0|1,0,1]=4 6159 B13R1.73 COc1cc(ccc1OCC=O)Br 7a_100000694246_200015260668 [0,2,0,0,0,0|1,0,1]=4 6160 B13R1.73 COc1cc(ccc1OCC=O)C 34a_100000186466_200009817547 [0,2,0,0,0,0|1,0,1]=4 6161 B13R1.73 COc1cc(ccc1OCC=O)Cl 34a_100000033002_200009817547 [0,2,0,0,0,0|1,0,1]=4 6162 B13R1.73 COc1cc(ccc1OCC=O)F 34a_100000036057_200009817547 [0,2,0,0,0,0|1,0,1]=4 6163 B13R1.73 COc1cc(ccc1OCC=O)F 7a_100000036057_200015260668 [0,2,0,0,0,0|1,0,1]=4 6164 B13R1.73 COc1cc(ccc1OCC=O)I 34a_100000049635_200009817547 [0,2,0,0,0,0|1,0,1]=4 6165 B13R1.73 COc1cc(ccc1OCC=O)N 34a_100000726020_200009817547 [0,2,0,0,0,0|1,0,1]=4 6166 B13R1.73 COc1cc(ccc1OCCF)Br 34a_100000694246_100011217306 [0,2,0,0,0,0|1,0,0]=3 6167 B13R1.73 COc1cc(ccc1OCCF)Br 7a_100000694246_100011217306 [0,2,0,0,0,0|1,0,0]=3 6168 B13R1.73 COc1cc(ccc1OCCF)C 34a_100000186466_100011217306 [0,2,0,0,0,0|1,0,0]=3 6169 B13R1.73 COc1cc(ccc1OCCF)Cl 34a_100000033002_100011217306 [0,2,0,0,0,0|1,0,0]=3 6170 B13R1.73 COc1cc(ccc1OCCF)F 34a_100000036057_100011217306 [0,2,0,0,0,0|1,0,0]=3 6171 B13R1.73 COc1cc(ccc1OCCF)F 7a_100000036057_100011217306 [0,2,0,0,0,0|1,0,0]=3 6172 B13R1.73 COc1cc(ccc1OCCF)I 34a_100000049635_100011217306 [0,2,0,0,0,0|1,0,0]=3 6173 B13R1.73 COc1cc(ccc1OCCF)N 34a_100000726020_100011217306 [0,2,0,0,0,0|1,0,0]=3 6174 B13R1.73 COc1cc(ccc1OCCO)Br 34a_100000694246_100000211926 [0,2,0,0,0,0|1,0,0]=3 6175 B13R1.73 COc1cc(ccc1OCCO)Br 7a_100000694246_100000211926 [0,2,0,0,0,0|1,0,0]=3 6176 B13R1.73 COc1cc(ccc1OCCO)C 34a_100000186466_100000211926 [0,2,0,0,0,0|1,0,0]=3 6177 B13R1.73 COc1cc(ccc1OCCO)Cl 34a_100000033002_100000211926 [0,2,0,0,0,0|1,0,0]=3 6178 B13R1.73 COc1cc(ccc1OCCO)F 34a_100000036057_100000211926 [0,2,0,0,0,0|1,0,0]=3 6179 B13R1.73 COc1cc(ccc1OCCO)F 7a_100000036057_100000211926 [0,2,0,0,0,0|1,0,0]=3 6180 B13R1.73 COc1cc(ccc1OCCO)I 34a_100000049635_100000211926 [0,2,0,0,0,0|1,0,0]=3 6181 B13R1.73 COc1cc(ccc1OCCO)N 34a_100000726020_100000211926 [0,2,0,0,0,0|1,0,0]=3 6182 B13R1.73 COc1cc(ccc1OCCO)O 271570a_203496583355_100012347953 [0,2,0,0,0,0|1,0,0]=3 6183 B13R1.73 COc1cc(ccc1OCSC)Br 34a_100000694246_100011218213 [0,2,0,0,0,0|2,0,0]=4 6184 B13R1.73 COc1cc(ccc1OCSC)C 34a_100000186466_100011218213 [0,2,0,0,0,0|2,0,0]=4 6185 B13R1.73 COc1cc(ccc1OCSC)Cl 34a_100000033002_100011218213 [0,2,0,0,0,0|2,0,0]=4 6186 B13R1.73 COc1cc(ccc1OCSC)F 34a_100000036057_100011218213 [0,2,0,0,0,0|2,0,0]=4 6187 B13R1.73 COc1cc(ccc1OCSC)I 34a_100000049635_100011218213 [0,2,0,0,0,0|2,0,0]=4 6188 B13R1.73 COc1cc(ccc1OCSC)N 34a_100000726020_100011218213 [0,2,0,0,0,0|2,0,0]=4 6189 B13R1.73 COc1cc(ccc1SCC#N)Br 62a_100010245111_100011215382 [0,2,0,0,0,0|0,0,2]=4 6190 B13R1.73 COc1cc(ccc1SCC#N)Br 62a_100011215382_100010245111 [0,2,0,0,0,0|0,0,2]=4 6191 B13R1.73 COc1cc(ccc1SCC#N)C 62a_100010200004_100011215382 [0,2,0,0,0,0|0,0,2]=4 6192 B13R1.73 COc1cc(ccc1SCC#N)C 62a_100011215382_100010200004 [0,2,0,0,0,0|0,0,2]=4 6193 B13R1.73 COc1cc(ccc1SCC#N)Cl 62a_100000050115_100011215382 [0,2,0,0,0,0|0,0,2]=4 6194 B13R1.73 COc1cc(ccc1SCC#N)Cl 62a_100011215382_100000050115 [0,2,0,0,0,0|0,0,2]=4 6195 B13R1.73 COc1cc(ccc1SCC#N)F 62a_100000757151_100011215382 [0,2,0,0,0,0|0,0,2]=4 6196 B13R1.73 COc1cc(ccc1SCC#N)F 62a_100011215382_100000757151 [0,2,0,0,0,0|0,0,2]=4 6197 B13R1.73 COc1cc(ccc1SCC#N)N 62a_100000765947_100011215382 [0,2,0,0,0,0|0,0,2]=4 6198 B13R1.73 COc1cc(ccc1SCC#N)N 62a_100011215382_100000765947 [0,2,0,0,0,0|0,0,2]=4 6199 B13R1.73 COc1cc(ccc1SCC#N)O 62a_100011215382_100011827694 [0,2,0,0,0,0|0,0,2]=4 6200 B13R1.73 COc1cc(ccc1SCC=O)Br 62a_100010245111_200015260668 [0,2,0,0,0,0|1,0,1]=4 6201 B13R1.73 COc1cc(ccc1SCC=O)Br 62a_200015260668_100010245111 [0,2,0,0,0,0|1,0,1]=4 6202 B13R1.73 COc1cc(ccc1SCC=O)C 62a_100010200004_200015260668 [0,2,0,0,0,0|1,0,1]=4 6203 B13R1.73 COc1cc(ccc1SCC=O)C 62a_200015260668_100010200004 [0,2,0,0,0,0|1,0,1]=4 6204 B13R1.73 COc1cc(ccc1SCC=O)Cl 62a_100000050115_200015260668 [0,2,0,0,0,0|1,0,1]=4 6205 B13R1.73 COc1cc(ccc1SCC=O)Cl 62a_200015260668_100000050115 [0,2,0,0,0,0|1,0,1]=4 6206 B13R1.73 COc1cc(ccc1SCC=O)F 62a_100000757151_200015260668 [0,2,0,0,0,0|1,0,1]=4 6207 B13R1.73 COc1cc(ccc1SCC=O)F 62a_200015260668_100000757151 [0,2,0,0,0,0|1,0,1]=4 6208 B13R1.73 COc1cc(ccc1SCC=O)N 62a_100000765947_200015260668 [0,2,0,0,0,0|1,0,1]=4 6209 B13R1.73 COc1cc(ccc1SCC=O)N 62a_200015260668_100000765947 [0,2,0,0,0,0|1,0,1]=4 6210 B13R1.73 COc1cc(ccc1SCC=O)O 62a_200015260668_100011827694 [0,2,0,0,0,0|1,0,1]=4 6211 B13R1.73 COc1cc(ccc1SCCF)Br 62a_100010245111_100011217306 [0,2,0,0,0,0|1,0,0]=3 6212 B13R1.73 COc1cc(ccc1SCCF)Br 62a_100011217306_100010245111 [0,2,0,0,0,0|1,0,0]=3 6213 B13R1.73 COc1cc(ccc1SCCF)C 62a_100010200004_100011217306 [0,2,0,0,0,0|1,0,0]=3 6214 B13R1.73 COc1cc(ccc1SCCF)C 62a_100011217306_100010200004 [0,2,0,0,0,0|1,0,0]=3 6215 B13R1.73 COc1cc(ccc1SCCF)Cl 62a_100000050115_100011217306 [0,2,0,0,0,0|1,0,0]=3 6216 B13R1.73 COc1cc(ccc1SCCF)Cl 62a_100011217306_100000050115 [0,2,0,0,0,0|1,0,0]=3 6217 B13R1.73 COc1cc(ccc1SCCF)F 62a_100000757151_100011217306 [0,2,0,0,0,0|1,0,0]=3 6218 B13R1.73 COc1cc(ccc1SCCF)F 62a_100011217306_100000757151 [0,2,0,0,0,0|1,0,0]=3 6219 B13R1.73 COc1cc(ccc1SCCF)N 62a_100000765947_100011217306 [0,2,0,0,0,0|1,0,0]=3 6220 B13R1.73 COc1cc(ccc1SCCF)N 62a_100011217306_100000765947 [0,2,0,0,0,0|1,0,0]=3 6221 B13R1.73 COc1cc(ccc1SCCF)O 62a_100011217306_100011827694 [0,2,0,0,0,0|1,0,0]=3 6222 B13R1.73 COc1cc(ccc1SCCO)Br 62a_100000211926_100010245111 [0,2,0,0,0,0|1,0,0]=3 6223 B13R1.73 COc1cc(ccc1SCCO)Br 62a_100010245111_100000211926 [0,2,0,0,0,0|1,0,0]=3 6224 B13R1.73 COc1cc(ccc1SCCO)C 62a_100000211926_100010200004 [0,2,0,0,0,0|1,0,0]=3 6225 B13R1.73 COc1cc(ccc1SCCO)C 62a_100010200004_100000211926 [0,2,0,0,0,0|1,0,0]=3 6226 B13R1.73 COc1cc(ccc1SCCO)Cl 62a_100000050115_100000211926 [0,2,0,0,0,0|1,0,0]=3 6227 B13R1.73 COc1cc(ccc1SCCO)Cl 62a_100000211926_100000050115 [0,2,0,0,0,0|1,0,0]=3 6228 B13R1.73 COc1cc(ccc1SCCO)F 62a_100000211926_100000757151 [0,2,0,0,0,0|1,0,0]=3 6229 B13R1.73 COc1cc(ccc1SCCO)F 62a_100000757151_100000211926 [0,2,0,0,0,0|1,0,0]=3 6230 B13R1.73 COc1cc(ccc1SCCO)N 62a_100000211926_100000765947 [0,2,0,0,0,0|1,0,0]=3 6231 B13R1.73 COc1cc(ccc1SCCO)N 62a_100000765947_100000211926 [0,2,0,0,0,0|1,0,0]=3 6232 B13R1.73 COc1cc(ccc1SCCO)O 62a_100000211926_100011827694 [0,2,0,0,0,0|1,0,0]=3 6233 B13R1.73 COc1cc(ccc1SCSC)Br 62a_100010245111_100011218213 [0,2,0,0,0,0|2,0,0]=4 6234 B13R1.73 COc1cc(ccc1SCSC)Br 62a_100011218213_100010245111 [0,2,0,0,0,0|2,0,0]=4 6235 B13R1.73 COc1cc(ccc1SCSC)C 62a_100010200004_100011218213 [0,2,0,0,0,0|2,0,0]=4 6236 B13R1.73 COc1cc(ccc1SCSC)C 62a_100011218213_100010200004 [0,2,0,0,0,0|2,0,0]=4 6237 B13R1.73 COc1cc(ccc1SCSC)Cl 62a_100000050115_100011218213 [0,2,0,0,0,0|2,0,0]=4 6238 B13R1.73 COc1cc(ccc1SCSC)Cl 62a_100011218213_100000050115 [0,2,0,0,0,0|2,0,0]=4 6239 B13R1.73 COc1cc(ccc1SCSC)F 62a_100000757151_100011218213 [0,2,0,0,0,0|2,0,0]=4 6240 B13R1.73 COc1cc(ccc1SCSC)F 62a_100011218213_100000757151 [0,2,0,0,0,0|2,0,0]=4 6241 B13R1.73 COc1cc(ccc1SCSC)N 62a_100000765947_100011218213 [0,2,0,0,0,0|2,0,0]=4 6242 B13R1.73 COc1cc(ccc1SCSC)N 62a_100011218213_100000765947 [0,2,0,0,0,0|2,0,0]=4 6243 B13R1.73 COc1cc(ccc1SCSC)O 62a_100011218213_100011827694 [0,2,0,0,0,0|2,0,0]=4 6244 B13R1.73 COc1cc(cnc1COCF)Br 34a_200010246159_100015361967 [0,2,0,0,0,0|2,0,0]=4 6245 B13R1.73 COc1cc(cnc1COCF)Br 7a_200010246159_100015361967 [0,2,0,0,0,0|2,0,0]=4 6246 B13R1.73 COc1cc(cnc1OCCF)Cl 34a_200009845368_100011217306 [0,2,0,0,0,0|2,0,0]=4 6247 B13R1.73 COc1cc(cnc1OCCO)Cl 34a_200009845368_100000211926 [0,2,0,0,0,0|2,0,0]=4 6248 B13R1.73 COc1cc(cnc1SCCF)C 62a_100011217306_200000118316 [0,2,0,0,0,0|2,0,0]=4 6249 B13R1.73 COc1cc(cnc1SCCF)F 62a_100010136273_100011217306 [0,2,0,0,0,0|2,0,0]=4 6250 B13R1.73 COc1cc(cnc1SCCF)F 62a_100011217306_100009867738 [0,2,0,0,0,0|2,0,0]=4 6251 B13R1.73 COc1cc(cnc1SCCF)N 62a_100011217306_100000097218 [0,2,0,0,0,0|2,0,0]=4 6252 B13R1.73 COc1cc(cnc1SCCF)N 62a_200010291755_100011217306 [0,2,0,0,0,0|2,0,0]=4 6253 B13R1.73 COc1cc(cnc1SCCO)C 62a_100000211926_200000118316 [0,2,0,0,0,0|2,0,0]=4 6254 B13R1.73 COc1cc(cnc1SCCO)F 62a_100000211926_100009867738 [0,2,0,0,0,0|2,0,0]=4 6255 B13R1.73 COc1cc(cnc1SCCO)F 62a_100010136273_100000211926 [0,2,0,0,0,0|2,0,0]=4 6256 B13R1.73 COc1cc(cnc1SCCO)N 62a_100000211926_100000097218 [0,2,0,0,0,0|2,0,0]=4 6257 B13R1.73 COc1cc(cnc1SCCO)N 62a_200010291755_100000211926 [0,2,0,0,0,0|2,0,0]=4 6258 B13R1.73 COc1cc(ncc1COCF)Cl 34a_100010714672_100015361967 [0,2,0,0,0,0|2,0,0]=4 6259 B13R1.73 COc1cc(ncc1SCCF)C 62a_100000717771_100011217306 [0,2,0,0,0,0|2,0,0]=4 6260 B13R1.73 COc1cc(ncc1SCCF)C 62a_100011217306_100000717771 [0,2,0,0,0,0|2,0,0]=4 6261 B13R1.73 COc1cc(ncc1SCCF)Cl 62a_100010154656_100011217306 [0,2,0,0,0,0|2,0,0]=4 6262 B13R1.73 COc1cc(ncc1SCCF)Cl 62a_100011217306_100010154656 [0,2,0,0,0,0|2,0,0]=4 6263 B13R1.73 COc1cc(ncc1SCCF)F 62a_100010135560_100011217306 [0,2,0,0,0,0|2,0,0]=4 6264 B13R1.73 COc1cc(ncc1SCCF)F 62a_100011217306_100010135560 [0,2,0,0,0,0|2,0,0]=4 6265 B13R1.73 COc1cc(ncc1SCCF)N 62a_100011217306_100015506990 [0,2,0,0,0,0|2,0,0]=4 6266 B13R1.73 COc1cc(ncc1SCCF)N 62a_100015506990_100011217306 [0,2,0,0,0,0|2,0,0]=4 6267 B13R1.73 COc1cc(ncc1SCCO)C 62a_100000211926_100000717771 [0,2,0,0,0,0|2,0,0]=4 6268 B13R1.73 COc1cc(ncc1SCCO)C 62a_100000717771_100000211926 [0,2,0,0,0,0|2,0,0]=4 6269 B13R1.73 COc1cc(ncc1SCCO)Cl 62a_100000211926_100010154656 [0,2,0,0,0,0|2,0,0]=4 6270 B13R1.73 COc1cc(ncc1SCCO)Cl 62a_100010154656_100000211926 [0,2,0,0,0,0|2,0,0]=4 6271 B13R1.73 COc1cc(ncc1SCCO)F 62a_100000211926_100010135560 [0,2,0,0,0,0|2,0,0]=4 6272 B13R1.73 COc1cc(ncc1SCCO)F 62a_100010135560_100000211926 [0,2,0,0,0,0|2,0,0]=4 6273 B13R1.73 COc1cc(ncc1SCCO)N 62a_100000211926_100015506990 [0,2,0,0,0,0|2,0,0]=4 6274 B13R1.73 COc1cc(ncc1SCCO)N 62a_100015506990_100000211926 [0,2,0,0,0,0|2,0,0]=4 6275 B13R1.73 COc1nc(ccc1CNCF)Cl 34a_100015687481_100015361967 [0,2,0,0,0,0|2,0,0]=4 6276 B13R1.73 COc1nc(ccc1COCF)Br 34a_100010988397_100015361967 [0,2,0,0,0,0|2,0,0]=4 6277 B13R1.73 COc1nc(ccc1COCF)Cl 34a_200009869906_100015361967 [0,2,0,0,0,0|2,0,0]=4 6278 B13R1.73 COc1nc(ccc1CSCF)Br 62a_100015361967_100016029037 [0,2,0,0,0,0|2,0,0]=4 6279 B13R1.73 COc1nc(ccc1CSCF)Br 62a_100016029037_100015361967 [0,2,0,0,0,0|2,0,0]=4 6280 B13R1.73 COc1nc(ccc1OCCF)Br 34a_100010893133_100011217306 [0,2,0,0,0,0|2,0,0]=4 6281 B13R1.73 COc1nc(ccc1OCCO)Br 34a_100010893133_100000211926 [0,2,0,0,0,0|2,0,0]=4 6282 B13R1.73 COc1nc(ccc1SCCF)C 62a_100010138632_100011217306 [0,2,0,0,0,0|2,0,0]=4 6283 B13R1.73 COc1nc(ccc1SCCF)C 62a_100011217306_100010138632 [0,2,0,0,0,0|2,0,0]=4 6284 B13R1.73 COc1nc(ccc1SCCF)N 62a_100010187630_100011217306 [0,2,0,0,0,0|2,0,0]=4 6285 B13R1.73 COc1nc(ccc1SCCF)N 62a_100011217306_100010187630 [0,2,0,0,0,0|2,0,0]=4 6286 B13R1.73 COc1nc(ccc1SCCO)C 62a_100000211926_100010138632 [0,2,0,0,0,0|2,0,0]=4 6287 B13R1.73 COc1nc(ccc1SCCO)C 62a_100010138632_100000211926 [0,2,0,0,0,0|2,0,0]=4 6288 B13R1.73 COc1nc(ccc1SCCO)N 62a_100000211926_100010187630 [0,2,0,0,0,0|2,0,0]=4 6289 B13R1.73 COc1nc(ccc1SCCO)N 62a_100010187630_100000211926 [0,2,0,0,0,0|2,0,0]=4 6290 B13R1.73 CSc1cc(ccc1OCCN)C 62a_100025744979_200000210301 [0,2,0,0,0,0|0,1,0]=3 6291 B13R1.73 CSc1cc(ccc1OCCN)C 62a_200000210301_100025744979 [0,2,0,0,0,0|0,1,0]=3 6292 B13R1.73 CSc1cc(ccc1SCCF)C 62a_100011217306_200010709736 [0,2,0,0,0,0|1,1,0]=4 6293 B13R1.73 CSc1cc(ccc1SCCF)C 62a_200010709736_100011217306 [0,2,0,0,0,0|1,1,0]=4 6294 B13R1.73 CSc1cc(ccc1SCCO)C 62a_100000211926_200010709736 [0,2,0,0,0,0|1,1,0]=4 6295 B13R1.73 CSc1cc(ccc1SCCO)C 62a_200010709736_100000211926 [0,2,0,0,0,0|1,1,0]=4 6296 B13R1.73 Cc1ccc(c(c1)S[13CH3])OCCN 62a_100025744979_200025704644 [0,2,0,0,0,0|0,1,0]=3 6297 B13R1.73 Cc1ccc(c(c1)S[13CH3])OCCN 62a_200025704644_100025744979 [0,2,0,0,0,0|0,1,0]=3 6298 B13R1.1248 CCNc1cc(ccc1COC)Br 34a_100013084866_100000210202 [0,2,0,0,0,0|2,0,0]=4 6299 B13R1.1248 CCNc1cc(ccc1COC)Br 7a_100013084866_100000210202 [0,2,0,0,0,0|2,0,0]=4 6300 B13R1.1248 CCNc1cc(ccc1OCC)Br 2230a_100000751366_100000210202 [0,2,0,0,0,0|2,0,0]=4 6301 B13R1.1248 CCNc1cc(ccc1OCC)Br 34a_100000751366_100000210202 [0,2,0,0,0,0|2,0,0]=4 6302 B13R1.1248 CCNc1cc(ccc1OCC)C 2230a_100011202655_100000210202 [0,2,0,0,0,0|2,0,0]=4 6303 B13R1.1248 CCNc1cc(ccc1OCC)C 34a_100011202655_100000210202 [0,2,0,0,0,0|2,0,0]=4 6304 B13R1.1248 CCNc1cc(ccc1OCC)Cl 2230a_100000742605_100000210202 [0,2,0,0,0,0|2,0,0]=4 6305 B13R1.1248 CCNc1cc(ccc1OCC)Cl 34a_100000742605_100000210202 [0,2,0,0,0,0|2,0,0]=4 6306 B13R1.1248 CCNc1ccc(cc1OCC)Br 2230a_100000688918_100000210202 [0,2,0,0,0,0|2,0,0]=4 6307 B13R1.1248 CCNc1ccc(cc1OCC)Br 34a_100000688918_100000210202 [0,2,0,0,0,0|2,0,0]=4 6308 B13R1.1248 CCNc1ccc(cc1OCC)C 2230a_100000742043_100000210202 [0,2,0,0,0,0|2,0,0]=4 6309 B13R1.1248 CCNc1ccc(cc1OCC)C 34a_100000742043_100000210202 [0,2,0,0,0,0|2,0,0]=4 6310 B13R1.1248 CCNc1ccc(cc1OCC)Cl 34a_100000687649_100000210202 [0,2,0,0,0,0|2,0,0]=4 6311 B13R1.1248 CCNc1ccc(cc1OCC)F 2230a_100000741351_100000210202 [0,2,0,0,0,0|2,0,0]=4 6312 B13R1.1248 CCNc1ccc(cc1OCC)F 34a_100000741351_100000210202 [0,2,0,0,0,0|2,0,0]=4 6313 B13R1.1248 CCOc1cc(ccc1NCF)Br 34a_100000688918_100015361967 [0,2,0,0,0,0|2,0,0]=4 6314 B13R1.1248 CCOc1cc(ccc1NCF)C 34a_100000742043_100015361967 [0,2,0,0,0,0|2,0,0]=4 6315 B13R1.1248 CCOc1cc(ccc1NCF)Cl 34a_100000687649_100015361967 [0,2,0,0,0,0|2,0,0]=4 6316 B13R1.1248 CCOc1cc(ccc1NCF)F 34a_100000741351_100015361967 [0,2,0,0,0,0|2,0,0]=4 6317 B13R1.1248 CCOc1cc(ccc1OCF)C 34a_200000034294_100015361967 [0,2,0,0,0,0|2,0,0]=4 6318 B13R1.1248 CCOc1cc(ccc1OCF)C 7a_200000034294_100015361967 [0,2,0,0,0,0|2,0,0]=4 6319 B13R1.1248 CCOc1cc(ccc1SCC)C 62a_100000210202_200010713166 [0,2,0,0,0,0|2,0,0]=4 6320 B13R1.1248 CCOc1cc(ccc1SCC)C 62a_200010713166_100000210202 [0,2,0,0,0,0|2,0,0]=4 6321 B13R1.1248 CCOc1cc(ccc1SCC)F 62a_100000210202_200012340411 [0,2,0,0,0,0|2,0,0]=4 6322 B13R1.1248 CCOc1cc(ccc1SCC)F 62a_200012340411_100000210202 [0,2,0,0,0,0|2,0,0]=4 6323 B13R1.1248 CCOc1cc(ccc1SCC)N 62a_100000210202_200016990551 [0,2,0,0,0,0|2,0,0]=4 6324 B13R1.1248 CCOc1cc(ccc1SCC)N 62a_200016990551_100000210202 [0,2,0,0,0,0|2,0,0]=4 6325 B13R1.1248 CCOc1cc(ccc1SCF)C 62a_100015361967_200010713166 [0,2,0,0,0,0|2,0,0]=4 6326 B13R1.1248 CCOc1cc(ccc1SCF)C 62a_200010713166_100015361967 [0,2,0,0,0,0|2,0,0]=4 6327 B13R1.1248 CCOc1cc(ccc1SCF)F 62a_100015361967_200012340411 [0,2,0,0,0,0|2,0,0]=4 6328 B13R1.1248 CCOc1cc(ccc1SCF)F 62a_200012340411_100015361967 [0,2,0,0,0,0|2,0,0]=4 6329 B13R1.1248 CCOc1cc(ccc1SCF)N 62a_100015361967_200016990551 [0,2,0,0,0,0|2,0,0]=4 6330 B13R1.1248 CCOc1cc(ccc1SCF)N 62a_200016990551_100015361967 [0,2,0,0,0,0|2,0,0]=4 6331 B13R1.1248 CCOc1ccc(cc1CNC)Br 207a_100102657272_100000170027 [0,2,0,0,0,0|2,0,0]=4 6332 B13R1.1248 CCOc1ccc(cc1CNC)Br 270004a_106832991635_100000170027 [0,2,0,0,0,0|2,0,0]=4 6333 B13R1.1248 CCOc1ccc(cc1CNC)Br 34a_100011602694_100000210202 [0,2,0,0,0,0|2,0,0]=4 6334 B13R1.1248 CCOc1ccc(cc1CNC)Cl 207a_100102657272_100000187702 [0,2,0,0,0,0|2,0,0]=4 6335 B13R1.1248 CCOc1ccc(cc1CNC)Cl 270004a_106832991635_100000187702 [0,2,0,0,0,0|2,0,0]=4 6336 B13R1.1248 CCOc1ccc(cc1CNC)Cl 34a_100000712467_100000210202 [0,2,0,0,0,0|2,0,0]=4 6337 B13R1.1248 CCOc1ccc(cc1CNC)F 34a_114855342409_100000210202 [0,2,0,0,0,0|2,0,0]=4 6338 B13R1.1248 CCOc1ccc(cc1CNC)O 271570a_203496583355_100015187135 [0,2,0,0,0,0|2,0,0]=4 6339 B13R1.1248 CCOc1ccc(cc1COC)F 34a_100135391359_100000210202 [0,2,0,0,0,0|2,0,0]=4 6340 B13R1.1248 CCOc1ccc(cc1COC)F 7a_100135391359_100000210202 [0,2,0,0,0,0|2,0,0]=4 6341 B13R1.1248 CCOc1ccc(cc1NCF)Br 34a_100000751366_100015361967 [0,2,0,0,0,0|2,0,0]=4 6342 B13R1.1248 CCOc1ccc(cc1NCF)C 34a_100011202655_100015361967 [0,2,0,0,0,0|2,0,0]=4 6343 B13R1.1248 CCOc1ccc(cc1NCF)Cl 34a_100000742605_100015361967 [0,2,0,0,0,0|2,0,0]=4 6344 B13R1.1248 CCOc1ccc(cc1OCC)C 34a_200000034294_100000210202 [0,2,0,0,0,0|2,0,0]=4 6345 B13R1.1248 CCOc1ccc(cc1OCC)C 7a_200000034294_100000210202 [0,2,0,0,0,0|2,0,0]=4 6346 B13R1.1248 CCOc1ccc(cc1SCC)C 62a_100000210202_200000230997 [0,2,0,0,0,0|2,0,0]=4 6347 B13R1.1248 CCOc1ccc(cc1SCC)C 62a_200000230997_100000210202 [0,2,0,0,0,0|2,0,0]=4 6348 B13R1.1248 CCOc1ccc(cc1SCC)F 62a_100000171695_100000210202 [0,2,0,0,0,0|2,0,0]=4 6349 B13R1.1248 CCOc1ccc(cc1SCC)F 62a_100000210202_100000171695 [0,2,0,0,0,0|2,0,0]=4 6350 B13R1.1248 CCOc1ccc(cc1SCF)C 62a_100015361967_200000230997 [0,2,0,0,0,0|2,0,0]=4 6351 B13R1.1248 CCOc1ccc(cc1SCF)C 62a_200000230997_100015361967 [0,2,0,0,0,0|2,0,0]=4 6352 B13R1.1248 CCOc1ccc(cc1SCF)F 62a_100000171695_100015361967 [0,2,0,0,0,0|2,0,0]=4 6353 B13R1.1248 CCOc1ccc(cc1SCF)F 62a_100015361967_100000171695 [0,2,0,0,0,0|2,0,0]=4 6354 B13R1.1248 CNCc1cc(ccc1OCF)Br 34a_100011602694_100015361967 [0,2,0,0,0,0|2,0,0]=4 6355 B13R1.1248 CNCc1cc(ccc1OCF)Cl 34a_100000712467_100015361967 [0,2,0,0,0,0|2,0,0]=4 6356 B13R1.1248 CNCc1cc(ccc1OCF)F 34a_114855342409_100015361967 [0,2,0,0,0,0|2,0,0]=4 6357 B13R1.1248 COCc1cc(ccc1OCF)F 34a_100135391359_100015361967 [0,2,0,0,0,0|2,0,0]=4 6358 B13R1.1248 COCc1cc(ccc1OCF)F 7a_100135391359_100015361967 [0,2,0,0,0,0|2,0,0]=4 6359 B13R1.1248 COCc1ccc(cc1NCF)Br 34a_100013084866_100015361967 [0,2,0,0,0,0|2,0,0]=4 6360 B13R1.1248 COCc1ccc(cc1NCF)Br 7a_100013084866_100015361967 [0,2,0,0,0,0|2,0,0]=4 6361 B13R1.1249 C=Cc1ccc(c(c1)OC)CC#N 271570a_100011290941_100010245117 [0,2,0,0,0,0|0,0,2]=4 6362 B13R1.1249 C=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100011217988 [0,2,0,0,0,0|2,0,0]=4 6363 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 271570a_100011290941_200012344064 [0,2,0,0,0,0|2,0,0]=4 6364 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 34a_100011217988_100000210202 [0,2,0,0,0,0|2,0,0]=4 6365 B13R1.1249 C=Cc1ccc(c(c1)OC)OCF 34a_100011217988_100015361967 [0,2,0,0,0,0|2,0,0]=4 6366 B13R1.1249 CCNc1ccc(cc1OC)C#N 34a_100000701993_100000210202 [0,2,0,0,0,0|2,0,0]=4 6367 B13R1.1249 CCNc1ccc(cc1OC)CO 2230a_100000087641_100000210202 [0,2,0,0,0,0|2,0,0]=4 6368 B13R1.1249 CCNc1ccc(cc1OC)CO 34a_100000087641_100000210202 [0,2,0,0,0,0|2,0,0]=4 6369 B13R1.1249 CCNc1ccc(cc1OC)OC 2230a_100000211191_100000210202 [0,2,0,0,0,0|2,0,0]=4 6370 B13R1.1249 CCNc1ccc(cc1OC)OC 34a_100000211191_100000210202 [0,2,0,0,0,0|2,0,0]=4 6371 B13R1.1249 CCNc1ccc(cc1OC)SC 2230a_100000766855_100000210202 [0,2,0,0,0,0|2,0,0]=4 6372 B13R1.1249 CCNc1ccc(cc1OC)SC 34a_100000766855_100000210202 [0,2,0,0,0,0|2,0,0]=4 6373 B13R1.1249 CCOc1ccc(cc1OC)C#N 34a_100000184589_100000210202 [0,2,0,0,0,0|2,0,0]=4 6374 B13R1.1249 CCOc1ccc(cc1OC)C#N 7a_100000184589_100000210202 [0,2,0,0,0,0|2,0,0]=4 6375 B13R1.1249 CCOc1ccc(cc1OC)CC 34a_100000186467_100000210202 [0,2,0,0,0,0|2,0,0]=4 6376 B13R1.1249 CCOc1ccc(cc1OC)CC 7a_100000186467_100000210202 [0,2,0,0,0,0|2,0,0]=4 6377 B13R1.1249 CCOc1ccc(cc1OC)CN 34a_100000185554_100000210202 [0,2,0,0,0,0|2,0,0]=4 6378 B13R1.1249 CCOc1ccc(cc1OC)NC 2230a_100000184985_200000210301 [0,2,0,0,0,0|2,0,0]=4 6379 B13R1.1249 CCOc1ccc(cc1OC)NC 34a_100000184985_200000210301 [0,2,0,0,0,0|2,0,0]=4 6380 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 2230a_100000184985_200025704644 [0,2,0,0,0,0|2,0,0]=4 6381 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 34a_100000184985_200025704644 [0,2,0,0,0,0|2,0,0]=4 6382 B13R1.1249 CCOc1ccc(cc1OC)OC 34a_100009840267_100000210202 [0,2,0,0,0,0|2,0,0]=4 6383 B13R1.1249 CCSc1ccc(cc1OC)C#N 62a_100000210202_100012356288 [0,2,0,0,0,0|2,0,0]=4 6384 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100000210202_100010244714 [0,2,0,0,0,0|2,0,0]=4 6385 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100010244714_100000210202 [0,2,0,0,0,0|2,0,0]=4 6386 B13R1.1249 CCSc1ccc(cc1OC)CC 62a_100000210202_200010710389 [0,2,0,0,0,0|2,0,0]=4 6387 B13R1.1249 CCSc1ccc(cc1OC)CC 62a_200010710389_100000210202 [0,2,0,0,0,0|2,0,0]=4 6388 B13R1.1249 CCSc1ccc(cc1OC)CO 62a_100000210202_100010234685 [0,2,0,0,0,0|2,0,0]=4 6389 B13R1.1249 CCSc1ccc(cc1OC)CO 62a_100010234685_100000210202 [0,2,0,0,0,0|2,0,0]=4 6390 B13R1.1249 CCSc1ccc(cc1OC)OC 62a_100000210202_100000750026 [0,2,0,0,0,0|2,0,0]=4 6391 B13R1.1249 CCSc1ccc(cc1OC)OC 62a_100000750026_100000210202 [0,2,0,0,0,0|2,0,0]=4 6392 B13R1.1249 CCc1ccc(c(c1)OC)CNC 26a_100102657272_100000186467 [0,2,0,0,0,0|2,0,0]=4 6393 B13R1.1249 CCc1ccc(c(c1)OC)OCF 34a_100000186467_100015361967 [0,2,0,0,0,0|2,0,0]=4 6394 B13R1.1249 CCc1ccc(c(c1)OC)OCF 7a_100000186467_100015361967 [0,2,0,0,0,0|2,0,0]=4 6395 B13R1.1249 CCc1ccc(c(c1)OC)SCF 62a_100015361967_200010710389 [0,2,0,0,0,0|2,0,0]=4 6396 B13R1.1249 CCc1ccc(c(c1)OC)SCF 62a_200010710389_100015361967 [0,2,0,0,0,0|2,0,0]=4 6397 B13R1.1249 CNCc1ccc(cc1OC)C#N 207a_100102657272_100000050422 [0,2,0,0,0,0|2,0,0]=4 6398 B13R1.1249 CNCc1ccc(cc1OC)C#N 26a_100102657272_100000184589 [0,2,0,0,0,0|2,0,0]=4 6399 B13R1.1249 CNCc1ccc(cc1OC)C#N 270004a_106832991635_100000050422 [0,2,0,0,0,0|2,0,0]=4 6400 B13R1.1249 CNCc1ccc(cc1OC)CO 26a_100102657272_100000181344 [0,2,0,0,0,0|2,0,0]=4 6401 B13R1.1249 CNCc1ccc(cc1OC)OC 207a_100102657272_100000188320 [0,2,0,0,0,0|2,0,0]=4 6402 B13R1.1249 CNCc1ccc(cc1OC)OC 26a_100102657272_100009840267 [0,2,0,0,0,0|2,0,0]=4 6403 B13R1.1249 CNCc1ccc(cc1OC)OC 270004a_106832991635_100000188320 [0,2,0,0,0,0|2,0,0]=4 6404 B13R1.1249 CNCc1ccc(cc1OC)OC 34a_100000737765_200000210301 [0,2,0,0,0,0|2,0,0]=4 6405 B13R1.1249 COCc1ccc(cc1OC)C#N 34a_100000102359_200000210301 [0,2,0,0,0,0|2,0,0]=4 6406 B13R1.1249 COCc1ccc(cc1OC)C#N 7a_100000102359_200000210301 [0,2,0,0,0,0|2,0,0]=4 6407 B13R1.1249 COCc1ccc(cc1OC)OC 34a_100011218031_200000210301 [0,2,0,0,0,0|2,0,0]=4 6408 B13R1.1249 COCc1ccc(cc1OC)OC 7a_100011218031_200000210301 [0,2,0,0,0,0|2,0,0]=4 6409 B13R1.1249 COc1cc(ccc1CC#N)SC 62a_100010245117_200000210301 [0,2,0,0,0,0|0,0,2]=4 6410 B13R1.1249 COc1cc(ccc1CC#N)SC 62a_200000210301_100010245117 [0,2,0,0,0,0|0,0,2]=4 6411 B13R1.1249 COc1cc(ccc1CC#N)S[13CH3] 62a_100010245117_200025704644 [0,2,0,0,0,0|0,0,2]=4 6412 B13R1.1249 COc1cc(ccc1CC#N)S[13CH3] 62a_200025704644_100010245117 [0,2,0,0,0,0|0,0,2]=4 6413 B13R1.1249 COc1cc(ccc1CO[13CH3])C#N 34a_100000102359_200025704644 [0,2,0,0,0,0|2,0,0]=4 6414 B13R1.1249 COc1cc(ccc1CO[13CH3])C#N 7a_100000102359_200025704644 [0,2,0,0,0,0|2,0,0]=4 6415 B13R1.1249 COc1cc(ccc1NCF)C#N 34a_100000701993_100015361967 [0,2,0,0,0,0|2,0,0]=4 6416 B13R1.1249 COc1cc(ccc1NCF)CO 34a_100000087641_100015361967 [0,2,0,0,0,0|2,0,0]=4 6417 B13R1.1249 COc1cc(ccc1NCF)SC 34a_100000766855_100015361967 [0,2,0,0,0,0|2,0,0]=4 6418 B13R1.1249 COc1cc(ccc1OCF)C#N 34a_100000184589_100015361967 [0,2,0,0,0,0|2,0,0]=4 6419 B13R1.1249 COc1cc(ccc1OCF)C#N 7a_100000184589_100015361967 [0,2,0,0,0,0|2,0,0]=4 6420 B13R1.1249 COc1cc(ccc1OCF)CN 34a_100000185554_100015361967 [0,2,0,0,0,0|2,0,0]=4 6421 B13R1.1249 COc1cc(ccc1SCF)C#N 62a_100015361967_100012356288 [0,2,0,0,0,0|2,0,0]=4 6422 B13R1.1249 COc1cc(ccc1SCF)C=O 62a_100010244714_100015361967 [0,2,0,0,0,0|2,0,0]=4 6423 B13R1.1249 COc1cc(ccc1SCF)C=O 62a_100015361967_100010244714 [0,2,0,0,0,0|2,0,0]=4 6424 B13R1.1249 COc1cc(ccc1SCF)CO 62a_100010234685_100015361967 [0,2,0,0,0,0|2,0,0]=4 6425 B13R1.1249 COc1cc(ccc1SCF)CO 62a_100015361967_100010234685 [0,2,0,0,0,0|2,0,0]=4 6426 B13R1.1249 COc1ccc(c(c1)OC)CN[13CH3] 34a_100000737765_200025704644 [0,2,0,0,0,0|2,0,0]=4 6427 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 34a_100011218031_200025704644 [0,2,0,0,0,0|2,0,0]=4 6428 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 7a_100011218031_200025704644 [0,2,0,0,0,0|2,0,0]=4 6429 B13R1.1249 COc1ccc(c(c1)OC)NCF 34a_100000211191_100015361967 [0,2,0,0,0,0|2,0,0]=4 6430 B13R1.1249 COc1ccc(c(c1)OC)OCF 34a_100009840267_100015361967 [0,2,0,0,0,0|2,0,0]=4 6431 B13R1.1249 COc1ccc(c(c1)OC)SCF 62a_100000750026_100015361967 [0,2,0,0,0,0|2,0,0]=4 6432 B13R1.1249 COc1ccc(c(c1)OC)SCF 62a_100015361967_100000750026 [0,2,0,0,0,0|2,0,0]=4 6433 B13R1.1253 CCNc1ccc(c(c1OC)Br)F 2230a_102516457224_100000210202 [0,2,0,0,0,0|2,0,0]=4 6434 B13R1.1253 CCNc1ccc(c(c1OC)Br)F 34a_102516457224_100000210202 [0,2,0,0,0,0|2,0,0]=4 6435 B13R1.1253 CCNc1ccc(c(c1OC)F)Br 2230a_100010734149_100000210202 [0,2,0,0,0,0|2,0,0]=4 6436 B13R1.1253 CCNc1ccc(c(c1OC)F)Br 34a_100010734149_100000210202 [0,2,0,0,0,0|2,0,0]=4 6437 B13R1.1253 CCNc1ccc(c(c1OC)F)F 2230a_100011695293_100000210202 [0,2,0,0,0,0|2,0,0]=4 6438 B13R1.1253 CCNc1ccc(c(c1OC)F)F 34a_100011695293_100000210202 [0,2,0,0,0,0|2,0,0]=4 6439 B13R1.1253 CCSc1ccc(c(c1OC)F)C 62a_100000210202_100010081143 [0,2,0,0,0,0|2,0,0]=4 6440 B13R1.1253 CCSc1ccc(c(c1OC)F)C 62a_100010081143_100000210202 [0,2,0,0,0,0|2,0,0]=4 6441 B13R1.1253 CCSc1ccc(c(c1OC)F)F 62a_100000210202_100010223324 [0,2,0,0,0,0|2,0,0]=4 6442 B13R1.1253 CCSc1ccc(c(c1OC)F)F 62a_100010223324_100000210202 [0,2,0,0,0,0|2,0,0]=4 6443 B13R1.1253 CCSc1ccc(c(c1OC)O)F 62a_100000210202_200010167157 [0,2,0,0,0,0|2,0,0]=4 6444 B13R1.1253 COc1c(ccc(c1Br)F)NCF 34a_102516457224_100015361967 [0,2,0,0,0,0|2,0,0]=4 6445 B13R1.1253 COc1c(ccc(c1F)Br)NCF 34a_100010734149_100015361967 [0,2,0,0,0,0|2,0,0]=4 6446 B13R1.1253 COc1c(ccc(c1F)C)SCF 62a_100010081143_100015361967 [0,2,0,0,0,0|2,0,0]=4 6447 B13R1.1253 COc1c(ccc(c1F)C)SCF 62a_100015361967_100010081143 [0,2,0,0,0,0|2,0,0]=4 6448 B13R1.1253 COc1c(ccc(c1F)F)NCF 34a_100011695293_100015361967 [0,2,0,0,0,0|2,0,0]=4 6449 B13R1.1253 COc1c(ccc(c1F)F)SCF 62a_100010223324_100015361967 [0,2,0,0,0,0|2,0,0]=4 6450 B13R1.1253 COc1c(ccc(c1F)F)SCF 62a_100015361967_100010223324 [0,2,0,0,0,0|2,0,0]=4 6451 B13R1.1253 COc1c(ccc(c1O)F)SCF 62a_100015361967_200010167157 [0,2,0,0,0,0|2,0,0]=4 6452 B13R1.2899 CCNc1cc(c(cc1OC)Br)C 2230a_100010141321_100000210202 [0,2,0,0,0,0|2,0,0]=4 6453 B13R1.2899 CCNc1cc(c(cc1OC)Br)C 34a_100010141321_100000210202 [0,2,0,0,0,0|2,0,0]=4 6454 B13R1.2899 CCNc1cc(c(cc1OC)Br)Cl 2230a_100010212225_100000210202 [0,2,0,0,0,0|2,0,0]=4 6455 B13R1.2899 CCNc1cc(c(cc1OC)Br)Cl 34a_100010212225_100000210202 [0,2,0,0,0,0|2,0,0]=4 6456 B13R1.2899 CCNc1cc(c(cc1OC)Br)F 2230a_100012766639_100000210202 [0,2,0,0,0,0|2,0,0]=4 6457 B13R1.2899 CCNc1cc(c(cc1OC)Br)F 34a_100012766639_100000210202 [0,2,0,0,0,0|2,0,0]=4 6458 B13R1.2899 CCNc1cc(c(cc1OC)C)Cl 2230a_100009868623_100000210202 [0,2,0,0,0,0|2,0,0]=4 6459 B13R1.2899 CCNc1cc(c(cc1OC)C)Cl 34a_100009868623_100000210202 [0,2,0,0,0,0|2,0,0]=4 6460 B13R1.2899 CCNc1cc(c(cc1OC)Cl)Br 2230a_100010380671_100000210202 [0,2,0,0,0,0|2,0,0]=4 6461 B13R1.2899 CCNc1cc(c(cc1OC)Cl)Br 34a_100010380671_100000210202 [0,2,0,0,0,0|2,0,0]=4 6462 B13R1.2899 CCNc1cc(c(cc1OC)Cl)C 2230a_100000211396_100000210202 [0,2,0,0,0,0|2,0,0]=4 6463 B13R1.2899 CCNc1cc(c(cc1OC)Cl)C 34a_100000211396_100000210202 [0,2,0,0,0,0|2,0,0]=4 6464 B13R1.2899 CCNc1cc(c(cc1OC)Cl)I 34a_100011011177_100000210202 [0,2,0,0,0,0|2,0,0]=4 6465 B13R1.2899 CCNc1cc(c(cc1OC)F)Br 2230a_100012361397_100000210202 [0,2,0,0,0,0|2,0,0]=4 6466 B13R1.2899 CCNc1cc(c(cc1OC)F)Br 34a_100012361397_100000210202 [0,2,0,0,0,0|2,0,0]=4 6467 B13R1.2899 CCNc1cc(c(cc1OC)F)Br 7a_100012361397_100000210202 [0,2,0,0,0,0|2,0,0]=4 6468 B13R1.2899 CCNc1cc(c(cc1OC)F)Cl 2230a_100012186795_100000210202 [0,2,0,0,0,0|2,0,0]=4 6469 B13R1.2899 CCNc1cc(c(cc1OC)F)Cl 34a_100012186795_100000210202 [0,2,0,0,0,0|2,0,0]=4 6470 B13R1.2899 CCNc1cc(c(cc1OC)F)F 2230a_100000732608_100000210202 [0,2,0,0,0,0|2,0,0]=4 6471 B13R1.2899 CCNc1cc(c(cc1OC)F)F 34a_100000732608_100000210202 [0,2,0,0,0,0|2,0,0]=4 6472 B13R1.2899 CCNc1cc(c(cc1OC)F)F 7a_100000732608_100000210202 [0,2,0,0,0,0|2,0,0]=4 6473 B13R1.2899 CCOc1cc(c(cc1OC)Br)F 34a_100010189133_100000210202 [0,2,0,0,0,0|2,0,0]=4 6474 B13R1.2899 CCOc1cc(c(cc1OC)Br)F 7a_100010189133_100000210202 [0,2,0,0,0,0|2,0,0]=4 6475 B13R1.2899 CCSc1cc(c(cc1OC)C)N 62a_100000210202_106657271712 [0,2,0,0,0,0|2,0,0]=4 6476 B13R1.2899 CCSc1cc(c(cc1OC)C)N 62a_106657271712_100000210202 [0,2,0,0,0,0|2,0,0]=4 6477 B13R1.2899 CCSc1cc(c(cc1OC)F)C 62a_100000210202_100010201977 [0,2,0,0,0,0|2,0,0]=4 6478 B13R1.2899 CCSc1cc(c(cc1OC)F)C 62a_100010201977_100000210202 [0,2,0,0,0,0|2,0,0]=4 6479 B13R1.2899 CCSc1cc(c(cc1OC)F)F 62a_100000210202_100009813744 [0,2,0,0,0,0|2,0,0]=4 6480 B13R1.2899 CCSc1cc(c(cc1OC)F)F 62a_100009813744_100000210202 [0,2,0,0,0,0|2,0,0]=4 6481 B13R1.2899 CCSc1cc(c(cc1OC)N)C 62a_100000210202_100010232211 [0,2,0,0,0,0|2,0,0]=4 6482 B13R1.2899 CCSc1cc(c(cc1OC)N)C 62a_100010232211_100000210202 [0,2,0,0,0,0|2,0,0]=4 6483 B13R1.2899 CCSc1cc(c(cc1OC)N)N 62a_100012769537_100000210202 [0,2,0,0,0,0|2,0,0]=4 6484 B13R1.2899 CNCc1cc(c(cc1OC)Br)F 26a_100102657272_100010189133 [0,2,0,0,0,0|2,0,0]=4 6485 B13R1.2899 CNCc1cc(c(cc1OC)Cl)Cl 207a_100102657272_200010166518 [0,2,0,0,0,0|2,0,0]=4 6486 B13R1.2899 CNCc1cc(c(cc1OC)Cl)Cl 270004a_106832991635_200010166518 [0,2,0,0,0,0|2,0,0]=4 6487 B13R1.2899 CNCc1cc(c(cc1OC)F)F 207a_100102657272_100000062448 [0,2,0,0,0,0|2,0,0]=4 6488 B13R1.2899 CNCc1cc(c(cc1OC)F)F 2230a_100000062010_200000210301 [0,2,0,0,0,0|2,0,0]=4 6489 B13R1.2899 CNCc1cc(c(cc1OC)F)F 2230a_106832991635_100009816015 [0,2,0,0,0,0|2,0,0]=4 6490 B13R1.2899 CNCc1cc(c(cc1OC)F)F 270004a_106832991635_100000062448 [0,2,0,0,0,0|2,0,0]=4 6491 B13R1.2899 CNCc1cc(c(cc1OC)F)F 34a_100000062010_200000210301 [0,2,0,0,0,0|2,0,0]=4 6492 B13R1.2899 CNCc1cc(c(cc1OC)F)F 34a_100102657272_100009816015 [0,2,0,0,0,0|2,0,0]=4 6493 B13R1.2899 CNCc1cc(c(cc1OC)F)F 7a_106832991635_100009816015 [0,2,0,0,0,0|2,0,0]=4 6494 B13R1.2899 COCc1cc(c(cc1OC)F)F 34a_100138415774_100009816015 [0,2,0,0,0,0|2,0,0]=4 6495 B13R1.2899 COc1cc(c(cc1CN[13CH3])F)F 2230a_100000062010_200025704644 [0,2,0,0,0,0|2,0,0]=4 6496 B13R1.2899 COc1cc(c(cc1CN[13CH3])F)F 34a_100000062010_200025704644 [0,2,0,0,0,0|2,0,0]=4 6497 B13R1.2899 COc1cc(c(cc1CSC)F)F 62a_100009816015_200000210301 [0,2,0,0,0,0|2,0,0]=4 6498 B13R1.2899 COc1cc(c(cc1CSC)F)F 62a_200000210301_100009816015 [0,2,0,0,0,0|2,0,0]=4 6499 B13R1.2899 COc1cc(c(cc1CS[13CH3])F)F 62a_100009816015_200025704644 [0,2,0,0,0,0|2,0,0]=4 6500 B13R1.2899 COc1cc(c(cc1CS[13CH3])F)F 62a_200025704644_100009816015 [0,2,0,0,0,0|2,0,0]=4 6501 B13R1.2899 COc1cc(c(cc1NCF)Br)Cl 34a_100010380671_100015361967 [0,2,0,0,0,0|2,0,0]=4 6502 B13R1.2899 COc1cc(c(cc1NCF)Br)F 34a_100012361397_100015361967 [0,2,0,0,0,0|2,0,0]=4 6503 B13R1.2899 COc1cc(c(cc1NCF)Br)F 7a_100012361397_100015361967 [0,2,0,0,0,0|2,0,0]=4 6504 B13R1.2899 COc1cc(c(cc1NCF)C)Br 34a_100010141321_100015361967 [0,2,0,0,0,0|2,0,0]=4 6505 B13R1.2899 COc1cc(c(cc1NCF)C)Cl 34a_100000211396_100015361967 [0,2,0,0,0,0|2,0,0]=4 6506 B13R1.2899 COc1cc(c(cc1NCF)Cl)Br 34a_100010212225_100015361967 [0,2,0,0,0,0|2,0,0]=4 6507 B13R1.2899 COc1cc(c(cc1NCF)Cl)C 34a_100009868623_100015361967 [0,2,0,0,0,0|2,0,0]=4 6508 B13R1.2899 COc1cc(c(cc1NCF)Cl)F 34a_100012186795_100015361967 [0,2,0,0,0,0|2,0,0]=4 6509 B13R1.2899 COc1cc(c(cc1NCF)F)Br 34a_100012766639_100015361967 [0,2,0,0,0,0|2,0,0]=4 6510 B13R1.2899 COc1cc(c(cc1NCF)F)F 34a_100000732608_100015361967 [0,2,0,0,0,0|2,0,0]=4 6511 B13R1.2899 COc1cc(c(cc1NCF)F)F 7a_100000732608_100015361967 [0,2,0,0,0,0|2,0,0]=4 6512 B13R1.2899 COc1cc(c(cc1NCF)I)Cl 34a_100011011177_100015361967 [0,2,0,0,0,0|2,0,0]=4 6513 B13R1.2899 COc1cc(c(cc1OCF)F)Br 34a_100010189133_100015361967 [0,2,0,0,0,0|2,0,0]=4 6514 B13R1.2899 COc1cc(c(cc1OCF)F)Br 7a_100010189133_100015361967 [0,2,0,0,0,0|2,0,0]=4 6515 B13R1.2899 COc1cc(c(cc1SCF)C)F 62a_100010201977_100015361967 [0,2,0,0,0,0|2,0,0]=4 6516 B13R1.2899 COc1cc(c(cc1SCF)C)F 62a_100015361967_100010201977 [0,2,0,0,0,0|2,0,0]=4 6517 B13R1.2899 COc1cc(c(cc1SCF)C)N 62a_100010232211_100015361967 [0,2,0,0,0,0|2,0,0]=4 6518 B13R1.2899 COc1cc(c(cc1SCF)C)N 62a_100015361967_100010232211 [0,2,0,0,0,0|2,0,0]=4 6519 B13R1.2899 COc1cc(c(cc1SCF)F)F 62a_100009813744_100015361967 [0,2,0,0,0,0|2,0,0]=4 6520 B13R1.2899 COc1cc(c(cc1SCF)F)F 62a_100015361967_100009813744 [0,2,0,0,0,0|2,0,0]=4 6521 B13R1.2899 COc1cc(c(cc1SCF)N)C 62a_100015361967_106657271712 [0,2,0,0,0,0|2,0,0]=4 6522 B13R1.2899 COc1cc(c(cc1SCF)N)C 62a_106657271712_100015361967 [0,2,0,0,0,0|2,0,0]=4 6523 B13R1.2899 COc1cc(c(cc1SCF)N)N 62a_100012769537_100015361967 [0,2,0,0,0,0|2,0,0]=4 6524 B13R1.3944 CCNc1c(cc(cc1OC)Br)Br 34a_100010253907_100000210202 [0,2,0,0,0,0|2,0,0]=4 6525 B13R1.3944 CCNc1c(cc(cc1OC)Br)C 34a_100000741850_100000210202 [0,2,0,0,0,0|2,0,0]=4 6526 B13R1.3944 CCNc1c(cc(cc1OC)Cl)Br 34a_200010138668_100000210202 [0,2,0,0,0,0|2,0,0]=4 6527 B13R1.3944 CCNc1c(cc(cc1OC)Cl)Cl 34a_100009955935_100000210202 [0,2,0,0,0,0|2,0,0]=4 6528 B13R1.3944 CCNc1c(cc(cc1OC)F)Br 34a_100011004115_100000210202 [0,2,0,0,0,0|2,0,0]=4 6529 B13R1.3944 CCOc1c(cc(cc1OC)F)Br 34a_200010391102_100000210202 [0,2,0,0,0,0|2,0,0]=4 6530 B13R1.3944 CCOc1c(cc(cc1OC)F)Br 7a_200010391102_100000210202 [0,2,0,0,0,0|2,0,0]=4 6531 B13R1.3944 CCSc1c(cc(cc1OC)Br)F 62a_100000210202_100010713143 [0,2,0,0,0,0|2,0,0]=4 6532 B13R1.3944 CCSc1c(cc(cc1OC)Br)F 62a_100010713143_100000210202 [0,2,0,0,0,0|2,0,0]=4 6533 B13R1.3944 CCSc1c(cc(cc1OC)Cl)Br 62a_100000210202_100025705407 [0,2,0,0,0,0|2,0,0]=4 6534 B13R1.3944 CCSc1c(cc(cc1OC)Cl)Br 62a_100025705407_100000210202 [0,2,0,0,0,0|2,0,0]=4 6535 B13R1.3944 CCSc1c(cc(cc1OC)Cl)Cl 62a_100000210202_100010292537 [0,2,0,0,0,0|2,0,0]=4 6536 B13R1.3944 CCSc1c(cc(cc1OC)Cl)Cl 62a_100010292537_100000210202 [0,2,0,0,0,0|2,0,0]=4 6537 B13R1.3944 CNCc1c(cc(cc1OC)Br)F 207a_100102657272_100010363811 [0,2,0,0,0,0|2,0,0]=4 6538 B13R1.3944 CNCc1c(cc(cc1OC)Br)F 270004a_106832991635_100010363811 [0,2,0,0,0,0|2,0,0]=4 6539 B13R1.3944 CNCc1c(cc(cc1OC)C)C 207a_100102657272_200013023761 [0,2,0,0,0,0|2,0,0]=4 6540 B13R1.3944 CNCc1c(cc(cc1OC)C)C 270004a_106832991635_200013023761 [0,2,0,0,0,0|2,0,0]=4 6541 B13R1.3944 CNCc1c(cc(cc1OC)Cl)F 207a_100102657272_100010630915 [0,2,0,0,0,0|2,0,0]=4 6542 B13R1.3944 CNCc1c(cc(cc1OC)Cl)F 270004a_106832991635_100010630915 [0,2,0,0,0,0|2,0,0]=4 6543 B13R1.3944 CNCc1c(cc(cc1OC)F)Br 26a_100102657272_200010391102 [0,2,0,0,0,0|2,0,0]=4 6544 B13R1.3944 COCc1c(cc(cc1OC)C)C 34a_100012770426_200000210301 [0,2,0,0,0,0|2,0,0]=4 6545 B13R1.3944 COCc1c(cc(cc1OC)C)C 7a_100012770426_200000210301 [0,2,0,0,0,0|2,0,0]=4 6546 B13R1.3944 COCc1c(cc(cc1OC)Cl)F 34a_200010988388_200000210301 [0,2,0,0,0,0|2,0,0]=4 6547 B13R1.3944 COCc1c(cc(cc1OC)Cl)F 7a_200010988388_200000210301 [0,2,0,0,0,0|2,0,0]=4 6548 B13R1.3944 COc1cc(cc(c1CO[13CH3])C)C 34a_100012770426_200025704644 [0,2,0,0,0,0|2,0,0]=4 6549 B13R1.3944 COc1cc(cc(c1CO[13CH3])C)C 7a_100012770426_200025704644 [0,2,0,0,0,0|2,0,0]=4 6550 B13R1.3944 COc1cc(cc(c1CO[13CH3])F)Cl 34a_200010988388_200025704644 [0,2,0,0,0,0|2,0,0]=4 6551 B13R1.3944 COc1cc(cc(c1CO[13CH3])F)Cl 7a_200010988388_200025704644 [0,2,0,0,0,0|2,0,0]=4 6552 B13R1.3944 COc1cc(cc(c1NCF)Br)Br 34a_100010253907_100015361967 [0,2,0,0,0,0|2,0,0]=4 6553 B13R1.3944 COc1cc(cc(c1NCF)Br)Cl 34a_200010138668_100015361967 [0,2,0,0,0,0|2,0,0]=4 6554 B13R1.3944 COc1cc(cc(c1NCF)Br)F 34a_100011004115_100015361967 [0,2,0,0,0,0|2,0,0]=4 6555 B13R1.3944 COc1cc(cc(c1NCF)C)Br 34a_100000741850_100015361967 [0,2,0,0,0,0|2,0,0]=4 6556 B13R1.3944 COc1cc(cc(c1NCF)Cl)Cl 34a_100009955935_100015361967 [0,2,0,0,0,0|2,0,0]=4 6557 B13R1.3944 COc1cc(cc(c1OCF)Br)F 34a_200010391102_100015361967 [0,2,0,0,0,0|2,0,0]=4 6558 B13R1.3944 COc1cc(cc(c1OCF)Br)F 7a_200010391102_100015361967 [0,2,0,0,0,0|2,0,0]=4 6559 B13R1.3944 COc1cc(cc(c1SCF)Br)Cl 62a_100015361967_100025705407 [0,2,0,0,0,0|2,0,0]=4 6560 B13R1.3944 COc1cc(cc(c1SCF)Br)Cl 62a_100025705407_100015361967 [0,2,0,0,0,0|2,0,0]=4 6561 B13R1.3944 COc1cc(cc(c1SCF)Cl)Cl 62a_100010292537_100015361967 [0,2,0,0,0,0|2,0,0]=4 6562 B13R1.3944 COc1cc(cc(c1SCF)Cl)Cl 62a_100015361967_100010292537 [0,2,0,0,0,0|2,0,0]=4 6563 B13R1.3944 COc1cc(cc(c1SCF)F)Br 62a_100010713143_100015361967 [0,2,0,0,0,0|2,0,0]=4 6564 B13R1.3944 COc1cc(cc(c1SCF)F)Br 62a_100015361967_100010713143 [0,2,0,0,0,0|2,0,0]=4 6565 B13R1.84 C#CCCNc1ccccc1CC 2230a_100000212081_100000688953 [0,2,0,0,0,0|2,0,0]=4 6566 B13R1.84 C#CCCNc1ccccc1CC 34a_100000212081_100000688953 [0,2,0,0,0,0|2,0,0]=4 6567 B13R1.84 C#CCCNc1ccccc1CC 7a_100000212081_100000688953 [0,2,0,0,0,0|2,0,0]=4 6568 B13R1.84 C#CCCNc1ccccc1OC 34a_100000210025_100000688953 [0,2,0,0,0,0|1,0,0]=3 6569 B13R1.84 C#CCCNc1ccccc1SC 34a_100000211160_100000688953 [0,2,0,0,0,0|1,1,0]=4 6570 B13R1.84 C#CCCOc1ccccc1CC 34a_100000210936_100000688953 [0,2,0,0,0,0|2,0,0]=4 6571 B13R1.84 C#CCCOc1ccccc1CC 7a_100000210936_100000688953 [0,2,0,0,0,0|2,0,0]=4 6572 B13R1.84 C#CCCOc1ccccc1NC 34a_100000033821_100000688953 [0,2,0,0,0,0|2,0,0]=4 6573 B13R1.84 C#CCCOc1ccccc1OC 34a_100000210385_100000688953 [0,2,0,0,0,0|1,0,0]=3 6574 B13R1.84 C#CCCOc1ccccc1SC 34a_100011216402_100000688953 [0,2,0,0,0,0|1,1,0]=4 6575 B13R1.84 C#CCCOc1cccnc1OC 34a_100000698397_100000688953 [0,2,0,0,0,0|2,0,0]=4 6576 B13R1.84 C#CCCOc1cccnc1OC 7a_100000698397_100000688953 [0,2,0,0,0,0|2,0,0]=4 6577 B13R1.84 C#CCCOc1cnccc1OC 34a_100000101186_100000688953 [0,2,0,0,0,0|2,0,0]=4 6578 B13R1.84 C#CCCOc1ncccc1OC 34a_100025773188_100000688953 [0,2,0,0,0,0|2,0,0]=4 6579 B13R1.84 C#CCCSc1ccccc1CC 62a_100000688953_100011215823 [0,2,0,0,0,0|2,0,0]=4 6580 B13R1.84 C#CCCSc1ccccc1CC 62a_100011215823_100000688953 [0,2,0,0,0,0|2,0,0]=4 6581 B13R1.84 C#CCCSc1ccccc1NC 62a_100000688953_100020606079 [0,2,0,0,0,0|2,0,0]=4 6582 B13R1.84 C#CCCSc1ccccc1NC 62a_100020606079_100000688953 [0,2,0,0,0,0|2,0,0]=4 6583 B13R1.84 C#CCCSc1ccccc1OC 62a_100000210334_100000688953 [0,2,0,0,0,0|1,0,0]=3 6584 B13R1.84 C#CCCSc1ccccc1OC 62a_100000688953_100000210334 [0,2,0,0,0,0|1,0,0]=3 6585 B13R1.84 C#CCCSc1ccccc1SC 62a_100000688953_100011217816 [0,2,0,0,0,0|1,1,0]=4 6586 B13R1.84 C#CCCSc1ccccc1SC 62a_100011217816_100000688953 [0,2,0,0,0,0|1,1,0]=4 6587 B13R1.84 C#CCCSc1cccnc1OC 62a_100000047025_100000688953 [0,2,0,0,0,0|2,0,0]=4 6588 B13R1.84 C#CCCSc1cccnc1OC 62a_100000688953_100000047025 [0,2,0,0,0,0|2,0,0]=4 6589 B13R1.84 C#CCCSc1ccncc1OC 62a_100000688953_100016988167 [0,2,0,0,0,0|2,0,0]=4 6590 B13R1.84 C#CCCSc1ccncc1OC 62a_100016988167_100000688953 [0,2,0,0,0,0|2,0,0]=4 6591 B13R1.84 C#CCCSc1cnccc1OC 62a_100000688953_100011997281 [0,2,0,0,0,0|2,0,0]=4 6592 B13R1.84 C#CCCSc1cnccc1OC 62a_100011997281_100000688953 [0,2,0,0,0,0|2,0,0]=4 6593 B13R1.84 C#CCCSc1ncccc1OC 62a_100000688953_100000690851 [0,2,0,0,0,0|2,0,0]=4 6594 B13R1.84 C#CCCSc1ncccc1OC 62a_100000767102_100000688953 [0,2,0,0,0,0|2,0,0]=4 6595 B13R1.84 C#CCNCc1ccccc1OC 34a_100000188900_100000184674 [0,2,0,0,0,0|1,0,0]=3 6596 B13R1.84 C#CCNCc1ccccc1OC 34a_100000212058_100000210004 [0,2,0,0,0,0|1,0,0]=3 6597 B13R1.84 C#CCNCc1ccccc1SC 34a_100000212058_100000699184 [0,2,0,0,0,0|1,1,0]=4 6598 B13R1.84 C#CCNCc1ccccc1SC 34a_102495365025_100000184674 [0,2,0,0,0,0|1,1,0]=4 6599 B13R1.84 C#CCNCc1cccnc1OC 34a_100000212058_100020631285 [0,2,0,0,0,0|2,0,0]=4 6600 B13R1.84 C#CCOCc1ccccc1CC 34a_100011663872_100000184674 [0,2,0,0,0,0|2,0,0]=4 6601 B13R1.84 C#CCOCc1ccccc1CC 7a_100011663872_100000038162 [0,2,0,0,0,0|2,0,0]=4 6602 B13R1.84 C#CCOCc1ccccc1OC 34a_100000210247_100000210004 [0,2,0,0,0,0|1,0,0]=3 6603 B13R1.84 C#CCOCc1ccccc1OC 34a_100000211301_100000184674 [0,2,0,0,0,0|1,0,0]=3 6604 B13R1.84 C#CCOCc1ccccc1SC 34a_100000210247_100000699184 [0,2,0,0,0,0|1,1,0]=4 6605 B13R1.84 C#CCOCc1ccccc1SC 34a_100000699167_100000184674 [0,2,0,0,0,0|1,1,0]=4 6606 B13R1.84 C#CCOCc1cccnc1OC 34a_100000210247_100020631285 [0,2,0,0,0,0|2,0,0]=4 6607 B13R1.84 C#CCOCc1cccnc1OC 34a_100000717863_100000184674 [0,2,0,0,0,0|2,0,0]=4 6608 B13R1.84 C#CCOCc1ncccc1OC 34a_100011998681_100000184674 [0,2,0,0,0,0|2,0,0]=4 6609 B13R1.84 C#CCSCc1ccccc1OC 62a_100000038162_100000210004 [0,2,0,0,0,0|1,0,0]=3 6610 B13R1.84 C#CCSCc1ccccc1SC 62a_100000038162_100000699184 [0,2,0,0,0,0|1,1,0]=4 6611 B13R1.84 C#CCSCc1cccnc1OC 62a_100000038162_100020631285 [0,2,0,0,0,0|2,0,0]=4 6612 B13R1.84 C#CCSCc1ccncc1OC 62a_100000038162_100020635607 [0,2,0,0,0,0|2,0,0]=4 6613 B13R1.84 C/C=C/CNc1ccccc1OC 34a_100000210025_100102629194 [0,2,0,0,0,0|1,0,1]=4 6614 B13R1.84 C/C=C/COc1ccccc1OC 34a_100000210385_100102629194 [0,2,0,0,0,0|1,0,1]=4 6615 B13R1.84 C/C=C/CSc1ccccc1OC 62a_100000210334_100102629194 [0,2,0,0,0,0|1,0,1]=4 6616 B13R1.84 C/C=C/CSc1ccccc1OC 62a_100102629194_100000210334 [0,2,0,0,0,0|1,0,1]=4 6617 B13R1.84 C=CCCNc1ccccc1CC 2230a_100000212081_100000754431 [0,2,0,0,0,0|2,0,0]=4 6618 B13R1.84 C=CCCNc1ccccc1CC 34a_100000212081_100000754431 [0,2,0,0,0,0|2,0,0]=4 6619 B13R1.84 C=CCCNc1ccccc1CC 7a_100000212081_100000754431 [0,2,0,0,0,0|2,0,0]=4 6620 B13R1.84 C=CCCNc1ccccc1OC 34a_100000210025_100000754431 [0,2,0,0,0,0|1,0,0]=3 6621 B13R1.84 C=CCCNc1ccccc1SC 34a_100000211160_100000754431 [0,2,0,0,0,0|1,1,0]=4 6622 B13R1.84 C=CCCOc1ccccc1CC 34a_100000210936_100000754431 [0,2,0,0,0,0|2,0,0]=4 6623 B13R1.84 C=CCCOc1ccccc1CC 7a_100000210936_100000754431 [0,2,0,0,0,0|2,0,0]=4 6624 B13R1.84 C=CCCOc1ccccc1NC 34a_100000033821_100000754431 [0,2,0,0,0,0|2,0,0]=4 6625 B13R1.84 C=CCCOc1ccccc1OC 34a_100000210385_100000754431 [0,2,0,0,0,0|1,0,0]=3 6626 B13R1.84 C=CCCOc1ccccc1SC 34a_100011216402_100000754431 [0,2,0,0,0,0|1,1,0]=4 6627 B13R1.84 C=CCCOc1cccnc1OC 34a_100000698397_100000754431 [0,2,0,0,0,0|2,0,0]=4 6628 B13R1.84 C=CCCOc1cccnc1OC 7a_100000698397_100000754431 [0,2,0,0,0,0|2,0,0]=4 6629 B13R1.84 C=CCCOc1cnccc1OC 34a_100000101186_100000754431 [0,2,0,0,0,0|2,0,0]=4 6630 B13R1.84 C=CCCOc1ncccc1OC 34a_100025773188_100000754431 [0,2,0,0,0,0|2,0,0]=4 6631 B13R1.84 C=CCCSc1ccccc1CC 62a_100000754431_100011215823 [0,2,0,0,0,0|2,0,0]=4 6632 B13R1.84 C=CCCSc1ccccc1CC 62a_100011215823_100000754431 [0,2,0,0,0,0|2,0,0]=4 6633 B13R1.84 C=CCCSc1ccccc1NC 62a_100000754431_100020606079 [0,2,0,0,0,0|2,0,0]=4 6634 B13R1.84 C=CCCSc1ccccc1NC 62a_100020606079_100000754431 [0,2,0,0,0,0|2,0,0]=4 6635 B13R1.84 C=CCCSc1ccccc1OC 62a_100000210334_100000754431 [0,2,0,0,0,0|1,0,0]=3 6636 B13R1.84 C=CCCSc1ccccc1OC 62a_100000754431_100000210334 [0,2,0,0,0,0|1,0,0]=3 6637 B13R1.84 C=CCCSc1ccccc1SC 62a_100000754431_100011217816 [0,2,0,0,0,0|1,1,0]=4 6638 B13R1.84 C=CCCSc1ccccc1SC 62a_100011217816_100000754431 [0,2,0,0,0,0|1,1,0]=4 6639 B13R1.84 C=CCCSc1cccnc1OC 62a_100000047025_100000754431 [0,2,0,0,0,0|2,0,0]=4 6640 B13R1.84 C=CCCSc1cccnc1OC 62a_100000754431_100000047025 [0,2,0,0,0,0|2,0,0]=4 6641 B13R1.84 C=CCCSc1ccncc1OC 62a_100000754431_100016988167 [0,2,0,0,0,0|2,0,0]=4 6642 B13R1.84 C=CCCSc1ccncc1OC 62a_100016988167_100000754431 [0,2,0,0,0,0|2,0,0]=4 6643 B13R1.84 C=CCCSc1cnccc1OC 62a_100000754431_100011997281 [0,2,0,0,0,0|2,0,0]=4 6644 B13R1.84 C=CCCSc1cnccc1OC 62a_100011997281_100000754431 [0,2,0,0,0,0|2,0,0]=4 6645 B13R1.84 C=CCCSc1ncccc1OC 62a_100000754431_100000690851 [0,2,0,0,0,0|2,0,0]=4 6646 B13R1.84 C=CCCSc1ncccc1OC 62a_100000767102_100000754431 [0,2,0,0,0,0|2,0,0]=4 6647 B13R1.84 C=CCNCc1ccccc1CC 270004a_100020586998_100011219594 [0,2,0,0,0,0|2,0,0]=4 6648 B13R1.84 C=CCNCc1ccccc1OC 2230a_100020586998_100000210004 [0,2,0,0,0,0|1,0,0]=3 6649 B13R1.84 C=CCNCc1ccccc1OC 270004a_100020586998_100000169842 [0,2,0,0,0,0|1,0,0]=3 6650 B13R1.84 C=CCNCc1ccccc1OC 34a_100000188900_100015514636 [0,2,0,0,0,0|1,0,0]=3 6651 B13R1.84 C=CCNCc1ccccc1SC 2230a_100020586998_100000699184 [0,2,0,0,0,0|1,1,0]=4 6652 B13R1.84 C=CCNCc1ccccc1SC 270004a_100020586998_100011217347 [0,2,0,0,0,0|1,1,0]=4 6653 B13R1.84 C=CCNCc1ccccc1SC 34a_102495365025_100015514636 [0,2,0,0,0,0|1,1,0]=4 6654 B13R1.84 C=CCNCc1cccnc1OC 2230a_100020586998_100020631285 [0,2,0,0,0,0|2,0,0]=4 6655 B13R1.84 C=CCNCc1cccnc1OC 270004a_100020586998_100011290804 [0,2,0,0,0,0|2,0,0]=4 6656 B13R1.84 C=CCNCc1ccncc1OC 2230a_100020586998_100020635607 [0,2,0,0,0,0|2,0,0]=4 6657 B13R1.84 C=CCNCc1ccncc1OC 270004a_100020586998_100011361505 [0,2,0,0,0,0|2,0,0]=4 6658 B13R1.84 C=CCNCc1cnccc1OC 270004a_100020586998_200011997045 [0,2,0,0,0,0|2,0,0]=4 6659 B13R1.84 C=CCNCc1ncccc1OC 270004a_100020586998_100011912573 [0,2,0,0,0,0|2,0,0]=4 6660 B13R1.84 C=CCOCc1ccccc1CC 34a_100011663872_100015514636 [0,2,0,0,0,0|2,0,0]=4 6661 B13R1.84 C=CCOCc1ccccc1CC 7a_100011663872_100015514636 [0,2,0,0,0,0|2,0,0]=4 6662 B13R1.84 C=CCOCc1ccccc1OC 34a_100000211301_100015514636 [0,2,0,0,0,0|1,0,0]=3 6663 B13R1.84 C=CCOCc1ccccc1OC 34a_200000210373_100000210004 [0,2,0,0,0,0|1,0,0]=3 6664 B13R1.84 C=CCOCc1ccccc1SC 34a_100000699167_100015514636 [0,2,0,0,0,0|1,1,0]=4 6665 B13R1.84 C=CCOCc1ccccc1SC 34a_200000210373_100000699184 [0,2,0,0,0,0|1,1,0]=4 6666 B13R1.84 C=CCOCc1cccnc1OC 34a_100000717863_100015514636 [0,2,0,0,0,0|2,0,0]=4 6667 B13R1.84 C=CCOCc1cccnc1OC 34a_200000210373_100020631285 [0,2,0,0,0,0|2,0,0]=4 6668 B13R1.84 C=CCOCc1ncccc1OC 34a_100011998681_100015514636 [0,2,0,0,0,0|2,0,0]=4 6669 B13R1.84 C=CCSCc1ccccc1OC 62a_100000210004_100000210623 [0,2,0,0,0,0|1,0,0]=3 6670 B13R1.84 C=CCSCc1ccccc1OC 62a_100000210623_100000210004 [0,2,0,0,0,0|1,0,0]=3 6671 B13R1.84 C=CCSCc1ccccc1SC 62a_100000210623_100000699184 [0,2,0,0,0,0|1,1,0]=4 6672 B13R1.84 C=CCSCc1ccccc1SC 62a_100000699184_100000210623 [0,2,0,0,0,0|1,1,0]=4 6673 B13R1.84 C=CCSCc1cccnc1OC 62a_100000210623_100020631285 [0,2,0,0,0,0|2,0,0]=4 6674 B13R1.84 C=CCSCc1cccnc1OC 62a_100020631285_100000210623 [0,2,0,0,0,0|2,0,0]=4 6675 B13R1.84 C=CCSCc1ccncc1OC 62a_100000210623_100020635607 [0,2,0,0,0,0|2,0,0]=4 6676 B13R1.84 C=CCSCc1ccncc1OC 62a_100020635607_100000210623 [0,2,0,0,0,0|2,0,0]=4 6677 B13R1.84 CC#CCNc1ccccc1OC 34a_100000210025_100000748600 [0,2,0,0,0,0|1,0,1]=4 6678 B13R1.84 CC#CCOc1ccccc1OC 34a_100000210385_100000748600 [0,2,0,0,0,0|1,0,1]=4 6679 B13R1.84 CC#CCSc1ccccc1OC 62a_100000210334_100000748600 [0,2,0,0,0,0|1,0,1]=4 6680 B13R1.84 CC#CCSc1ccccc1OC 62a_100000748600_100000210334 [0,2,0,0,0,0|1,0,1]=4 6681 B13R1.84 CC=CCNc1ccccc1OC 34a_100000210025_100000070051 [0,2,0,0,0,0|1,0,1]=4 6682 B13R1.84 CC=CCOc1ccccc1OC 34a_100000210385_100000070051 [0,2,0,0,0,0|1,0,1]=4 6683 B13R1.84 CC=CCSc1ccccc1OC 62a_100000070051_100000210334 [0,2,0,0,0,0|1,0,1]=4 6684 B13R1.84 CC=CCSc1ccccc1OC 62a_100000210334_100000070051 [0,2,0,0,0,0|1,0,1]=4 6685 B13R1.84 CC=NNCc1ccccc1OC 4a_100020605366_200000210099 [0,2,0,0,0,0|1,0,1]=4 6686 B13R1.84 CCC=NNc1ccccc1OC 4a_100000751209_100000210100 [0,2,0,0,0,0|1,0,1]=4 6687 B13R1.84 CCCC=Cc1ccccc1CC 271570a_100016258520_100011215823 [0,2,0,0,0,0|2,0,0]=4 6688 B13R1.84 CCCC=Cc1ccccc1NC 271570a_100016258520_100020606079 [0,2,0,0,0,0|2,0,0]=4 6689 B13R1.84 CCCC=Cc1ccccc1OC 271570a_100016258520_100000174000 [0,2,0,0,0,0|1,0,0]=3 6690 B13R1.84 CCCC=Cc1ccccc1SC 271570a_100016258520_100011217816 [0,2,0,0,0,0|1,1,0]=4 6691 B13R1.84 CCCC=Cc1cccnc1OC 271570a_100016258520_100000047025 [0,2,0,0,0,0|2,0,0]=4 6692 B13R1.84 CCCC=Cc1ccncc1OC 271570a_100016258520_100016988167 [0,2,0,0,0,0|2,0,0]=4 6693 B13R1.84 CCCC=Cc1cnccc1OC 271570a_100016258520_100011997281 [0,2,0,0,0,0|2,0,0]=4 6694 B13R1.84 CCCC=Cc1ncccc1OC 271570a_100016258520_100000690851 [0,2,0,0,0,0|2,0,0]=4 6695 B13R1.84 CCCCNc1ccccc1CC 2230a_100000212081_100000210211 [0,2,0,0,0,0|2,0,0]=4 6696 B13R1.84 CCCCNc1ccccc1CC 34a_100000212081_100000210210 [0,2,0,0,0,0|2,0,0]=4 6697 B13R1.84 CCCCNc1ccccc1CC 7a_100000212081_100000210211 [0,2,0,0,0,0|2,0,0]=4 6698 B13R1.84 CCCCNc1ccccc1OC 34a_100000210025_100000210210 [0,2,0,0,0,0|1,0,0]=3 6699 B13R1.84 CCCCNc1ccccc1SC 34a_100000211160_100000210210 [0,2,0,0,0,0|1,1,0]=4 6700 B13R1.84 CCCCOc1ccccc1CC 34a_100000210936_100000210210 [0,2,0,0,0,0|2,0,0]=4 6701 B13R1.84 CCCCOc1ccccc1CC 7a_100000210936_100000210211 [0,2,0,0,0,0|2,0,0]=4 6702 B13R1.84 CCCCOc1ccccc1NC 2230a_100000743494_200000210301 [0,2,0,0,0,0|2,0,0]=4 6703 B13R1.84 CCCCOc1ccccc1NC 34a_100000033821_100000210210 [0,2,0,0,0,0|2,0,0]=4 6704 B13R1.84 CCCCOc1ccccc1NC 34a_100000743494_200000210301 [0,2,0,0,0,0|2,0,0]=4 6705 B13R1.84 CCCCOc1ccccc1N[13CH3] 2230a_100000743494_200025704644 [0,2,0,0,0,0|2,0,0]=4 6706 B13R1.84 CCCCOc1ccccc1N[13CH3] 34a_100000743494_200025704644 [0,2,0,0,0,0|2,0,0]=4 6707 B13R1.84 CCCCOc1ccccc1OC 34a_100000210385_100000210210 [0,2,0,0,0,0|1,0,0]=3 6708 B13R1.84 CCCCOc1ccccc1SC 34a_100011216402_100000210210 [0,2,0,0,0,0|1,1,0]=4 6709 B13R1.84 CCCCOc1ccccc1SC 62a_100000230755_200000210301 [0,2,0,0,0,0|1,1,0]=4 6710 B13R1.84 CCCCOc1ccccc1SC 62a_200000210301_100000230755 [0,2,0,0,0,0|1,1,0]=4 6711 B13R1.84 CCCCOc1ccccc1S[13CH3] 62a_100000230755_200025704644 [0,2,0,0,0,0|1,1,0]=4 6712 B13R1.84 CCCCOc1ccccc1S[13CH3] 62a_200025704644_100000230755 [0,2,0,0,0,0|1,1,0]=4 6713 B13R1.84 CCCCOc1cccnc1OC 34a_100000698397_100000210210 [0,2,0,0,0,0|2,0,0]=4 6714 B13R1.84 CCCCOc1cccnc1OC 7a_100000698397_100000210211 [0,2,0,0,0,0|2,0,0]=4 6715 B13R1.84 CCCCOc1cnccc1OC 34a_100000101186_100000210210 [0,2,0,0,0,0|2,0,0]=4 6716 B13R1.84 CCCCOc1ncccc1OC 34a_100025773188_100000210210 [0,2,0,0,0,0|2,0,0]=4 6717 B13R1.84 CCCCSc1ccccc1CC 62a_100000210211_100011215823 [0,2,0,0,0,0|2,0,0]=4 6718 B13R1.84 CCCCSc1ccccc1CC 62a_100011215823_100000210210 [0,2,0,0,0,0|2,0,0]=4 6719 B13R1.84 CCCCSc1ccccc1NC 62a_100000210211_100020606079 [0,2,0,0,0,0|2,0,0]=4 6720 B13R1.84 CCCCSc1ccccc1NC 62a_100020606079_100000210210 [0,2,0,0,0,0|2,0,0]=4 6721 B13R1.84 CCCCSc1ccccc1OC 62a_100000210211_100000210334 [0,2,0,0,0,0|1,0,0]=3 6722 B13R1.84 CCCCSc1ccccc1OC 62a_100000210334_100000210210 [0,2,0,0,0,0|1,0,0]=3 6723 B13R1.84 CCCCSc1ccccc1SC 62a_100000210211_100011217816 [0,2,0,0,0,0|1,1,0]=4 6724 B13R1.84 CCCCSc1ccccc1SC 62a_100011217816_100000210210 [0,2,0,0,0,0|1,1,0]=4 6725 B13R1.84 CCCCSc1cccnc1OC 62a_100000047025_100000210210 [0,2,0,0,0,0|2,0,0]=4 6726 B13R1.84 CCCCSc1cccnc1OC 62a_100000210211_100000047025 [0,2,0,0,0,0|2,0,0]=4 6727 B13R1.84 CCCCSc1ccncc1OC 62a_100000210211_100016988167 [0,2,0,0,0,0|2,0,0]=4 6728 B13R1.84 CCCCSc1ccncc1OC 62a_100016988167_100000210210 [0,2,0,0,0,0|2,0,0]=4 6729 B13R1.84 CCCCSc1cnccc1OC 62a_100000210211_100011997281 [0,2,0,0,0,0|2,0,0]=4 6730 B13R1.84 CCCCSc1cnccc1OC 62a_100011997281_100000210210 [0,2,0,0,0,0|2,0,0]=4 6731 B13R1.84 CCCCSc1ncccc1OC 62a_100000210211_100000690851 [0,2,0,0,0,0|2,0,0]=4 6732 B13R1.84 CCCCSc1ncccc1OC 62a_100000767102_100000210210 [0,2,0,0,0,0|2,0,0]=4 6733 B13R1.84 CCCNCc1ccccc1CC 207a_100020643023_100011219594 [0,2,0,0,0,0|2,0,0]=4 6734 B13R1.84 CCCNCc1ccccc1CC 270004a_100020643023_100011219594 [0,2,0,0,0,0|2,0,0]=4 6735 B13R1.84 CCCNCc1ccccc1OC 207a_100020643023_100000169842 [0,2,0,0,0,0|1,0,0]=3 6736 B13R1.84 CCCNCc1ccccc1OC 270004a_100020643023_100000169842 [0,2,0,0,0,0|1,0,0]=3 6737 B13R1.84 CCCNCc1ccccc1OC 34a_100000188900_100000210303 [0,2,0,0,0,0|1,0,0]=3 6738 B13R1.84 CCCNCc1ccccc1OC 34a_100000749093_200000210301 [0,2,0,0,0,0|1,0,0]=3 6739 B13R1.84 CCCNCc1ccccc1O[13CH3] 34a_100000749093_200025704644 [0,2,0,0,0,0|1,0,0]=3 6740 B13R1.84 CCCNCc1ccccc1SC 207a_100020643023_100011217347 [0,2,0,0,0,0|1,1,0]=4 6741 B13R1.84 CCCNCc1ccccc1SC 270004a_100020643023_100011217347 [0,2,0,0,0,0|1,1,0]=4 6742 B13R1.84 CCCNCc1ccccc1SC 34a_102495365025_100000210303 [0,2,0,0,0,0|1,1,0]=4 6743 B13R1.84 CCCNCc1ccccc1SC 62a_100000196483_200000210301 [0,2,0,0,0,0|1,1,0]=4 6744 B13R1.84 CCCNCc1ccccc1SC 62a_200000210301_100000196483 [0,2,0,0,0,0|1,1,0]=4 6745 B13R1.84 CCCNCc1ccccc1S[13CH3] 62a_100000196483_200025704644 [0,2,0,0,0,0|1,1,0]=4 6746 B13R1.84 CCCNCc1ccccc1S[13CH3] 62a_200025704644_100000196483 [0,2,0,0,0,0|1,1,0]=4 6747 B13R1.84 CCCNCc1cccnc1OC 207a_100020643023_100011290804 [0,2,0,0,0,0|2,0,0]=4 6748 B13R1.84 CCCNCc1cccnc1OC 270004a_100020643023_100011290804 [0,2,0,0,0,0|2,0,0]=4 6749 B13R1.84 CCCNCc1ccncc1OC 207a_100020643023_100011361505 [0,2,0,0,0,0|2,0,0]=4 6750 B13R1.84 CCCNCc1ccncc1OC 270004a_100020643023_100011361505 [0,2,0,0,0,0|2,0,0]=4 6751 B13R1.84 CCCNCc1cnccc1OC 207a_100020643023_200011997045 [0,2,0,0,0,0|2,0,0]=4 6752 B13R1.84 CCCNCc1cnccc1OC 270004a_100020643023_200011997045 [0,2,0,0,0,0|2,0,0]=4 6753 B13R1.84 CCCNCc1ncccc1OC 207a_100020643023_100011912573 [0,2,0,0,0,0|2,0,0]=4 6754 B13R1.84 CCCNCc1ncccc1OC 270004a_100020643023_100011912573 [0,2,0,0,0,0|2,0,0]=4 6755 B13R1.84 CCCOCc1ccccc1CC 34a_100011663872_100000210303 [0,2,0,0,0,0|2,0,0]=4 6756 B13R1.84 CCCOCc1ccccc1CC 7a_100011663872_100000210303 [0,2,0,0,0,0|2,0,0]=4 6757 B13R1.84 CCCOCc1ccccc1OC 34a_100000210258_100000210004 [0,2,0,0,0,0|1,0,0]=3 6758 B13R1.84 CCCOCc1ccccc1OC 34a_100000211301_100000210303 [0,2,0,0,0,0|1,0,0]=3 6759 B13R1.84 CCCOCc1ccccc1SC 34a_100000210258_100000699184 [0,2,0,0,0,0|1,1,0]=4 6760 B13R1.84 CCCOCc1ccccc1SC 34a_100000699167_100000210303 [0,2,0,0,0,0|1,1,0]=4 6761 B13R1.84 CCCOCc1cccnc1OC 34a_100000210258_100020631285 [0,2,0,0,0,0|2,0,0]=4 6762 B13R1.84 CCCOCc1cccnc1OC 34a_100000717863_100000210303 [0,2,0,0,0,0|2,0,0]=4 6763 B13R1.84 CCCOCc1ncccc1OC 34a_100011998681_100000210303 [0,2,0,0,0,0|2,0,0]=4 6764 B13R1.84 CCCSCc1ccccc1OC 62a_100000210004_100000210303 [0,2,0,0,0,0|1,0,0]=3 6765 B13R1.84 CCCSCc1ccccc1OC 62a_100000210303_100000210004 [0,2,0,0,0,0|1,0,0]=3 6766 B13R1.84 CCCSCc1ccccc1SC 62a_100000210303_100000699184 [0,2,0,0,0,0|1,1,0]=4 6767 B13R1.84 CCCSCc1ccccc1SC 62a_100000699184_100000210303 [0,2,0,0,0,0|1,1,0]=4 6768 B13R1.84 CCCSCc1ccccc1SC 62a_200000173363_200000210301 [0,2,0,0,0,0|1,1,0]=4 6769 B13R1.84 CCCSCc1ccccc1SC 62a_200000210301_200000173363 [0,2,0,0,0,0|1,1,0]=4 6770 B13R1.84 CCCSCc1ccccc1S[13CH3] 62a_200000173363_200025704644 [0,2,0,0,0,0|1,1,0]=4 6771 B13R1.84 CCCSCc1ccccc1S[13CH3] 62a_200025704644_200000173363 [0,2,0,0,0,0|1,1,0]=4 6772 B13R1.84 CCCSCc1cccnc1OC 62a_100000210303_100020631285 [0,2,0,0,0,0|2,0,0]=4 6773 B13R1.84 CCCSCc1cccnc1OC 62a_100020631285_100000210303 [0,2,0,0,0,0|2,0,0]=4 6774 B13R1.84 CCCSCc1ccncc1OC 62a_100000210303_100020635607 [0,2,0,0,0,0|2,0,0]=4 6775 B13R1.84 CCCSCc1ccncc1OC 62a_100020635607_100000210303 [0,2,0,0,0,0|2,0,0]=4 6776 B13R1.84 CCNCCc1ccccc1C#N 2230a_100015525214_200013032965 [0,2,0,0,0,0|2,0,0]=4 6777 B13R1.84 CCNCCc1ccccc1C=O 2230a_100015525214_100010186698 [0,2,0,0,0,0|2,0,0]=4 6778 B13R1.84 CCNCCc1ccccc1CC 2230a_100011663701_100000210202 [0,2,0,0,0,0|1,0,0]=3 6779 B13R1.84 CCNCCc1ccccc1CC 34a_100011663701_100000210202 [0,2,0,0,0,0|1,0,0]=3 6780 B13R1.84 CCNCCc1ccccc1OC 2230a_100000211851_100000210202 [0,2,0,0,0,0|0,0,0]=2 6781 B13R1.84 CCNCCc1ccccc1OC 2230a_100015525214_100011713687 [0,2,0,0,0,0|0,0,0]=2 6782 B13R1.84 CCNCCc1ccccc1OC 270004a_100015525214_100011713418 [0,2,0,0,0,0|0,0,0]=2 6783 B13R1.84 CCNCCc1ccccc1OC 34a_100000211851_100000210202 [0,2,0,0,0,0|0,0,0]=2 6784 B13R1.84 CCNCCc1ccccc1[Pd]Cl 2230a_106741704370_100000210202 [0,2,0,0,0,0|2,0,0]=4 6785 B13R1.84 CCNCCc1ccccc1[Pd]Cl 34a_106741704370_100000210202 [0,2,0,0,0,0|2,0,0]=4 6786 B13R1.84 CCNCCc1ccccc1[Pd]Cl 7a_106741704370_100000210202 [0,2,0,0,0,0|2,0,0]=4 6787 B13R1.84 CCNN=Cc1ccccc1OC 4a_100000756455_100000169842 [0,2,0,0,0,0|1,0,1]=4 6788 B13R1.84 CCOC=Cc1ccccc1OC 271570a_100016256518_100000174000 [0,2,0,0,0,0|1,0,1]=4 6789 B13R1.84 CCOCCc1ccccc1OC 34a_100011218620_100000210202 [0,2,0,0,0,0|1,0,0]=3 6790 B13R1.84 CCOCCc1ccccc1OC 34a_100121572206_100011713687 [0,2,0,0,0,0|1,0,0]=3 6791 B13R1.84 CCOCCc1ccccc1OC 7a_100011218620_100000210202 [0,2,0,0,0,0|1,0,0]=3 6792 B13R1.84 CCOCSc1ccccc1CC 62a_100000739092_100011215823 [0,2,0,0,0,0|2,0,0]=4 6793 B13R1.84 CCOCSc1ccccc1CC 62a_100011215823_100000739092 [0,2,0,0,0,0|2,0,0]=4 6794 B13R1.84 CCOCSc1ccccc1NC 62a_100000739092_100020606079 [0,2,0,0,0,0|2,0,0]=4 6795 B13R1.84 CCOCSc1ccccc1NC 62a_100020606079_100000739092 [0,2,0,0,0,0|2,0,0]=4 6796 B13R1.84 CCOCSc1ccccc1OC 62a_100000210334_100000739092 [0,2,0,0,0,0|1,0,0]=3 6797 B13R1.84 CCOCSc1ccccc1OC 62a_100000739092_100000210334 [0,2,0,0,0,0|1,0,0]=3 6798 B13R1.84 CCOCSc1ccccc1SC 62a_100000739092_100011217816 [0,2,0,0,0,0|1,1,0]=4 6799 B13R1.84 CCOCSc1ccccc1SC 62a_100011217816_100000739092 [0,2,0,0,0,0|1,1,0]=4 6800 B13R1.84 CCOCSc1cccnc1OC 62a_100000047025_100000739092 [0,2,0,0,0,0|2,0,0]=4 6801 B13R1.84 CCOCSc1cccnc1OC 62a_100000739092_100000047025 [0,2,0,0,0,0|2,0,0]=4 6802 B13R1.84 CCOCSc1ccncc1OC 62a_100000739092_100016988167 [0,2,0,0,0,0|2,0,0]=4 6803 B13R1.84 CCOCSc1ccncc1OC 62a_100016988167_100000739092 [0,2,0,0,0,0|2,0,0]=4 6804 B13R1.84 CCOCSc1cnccc1OC 62a_100000739092_100011997281 [0,2,0,0,0,0|2,0,0]=4 6805 B13R1.84 CCOCSc1cnccc1OC 62a_100011997281_100000739092 [0,2,0,0,0,0|2,0,0]=4 6806 B13R1.84 CCOCSc1ncccc1OC 62a_100000739092_100000690851 [0,2,0,0,0,0|2,0,0]=4 6807 B13R1.84 CCOCSc1ncccc1OC 62a_100000767102_100000739092 [0,2,0,0,0,0|2,0,0]=4 6808 B13R1.84 CCSCCc1ccccc1OC 62a_100000210202_100011713687 [0,2,0,0,0,0|1,0,0]=3 6809 B13R1.84 CCSCCc1ccccc1OC 62a_100011713687_100000210202 [0,2,0,0,0,0|1,0,0]=3 6810 B13R1.84 CCc1ccccc1CCNCF 34a_100011663701_100015361967 [0,2,0,0,0,0|1,0,0]=3 6811 B13R1.84 CCc1ccccc1CNCCO 207a_100000210304_100011219594 [0,2,0,0,0,0|2,0,0]=4 6812 B13R1.84 CCc1ccccc1CNCCO 270004a_100000210304_100011219594 [0,2,0,0,0,0|2,0,0]=4 6813 B13R1.84 CCc1ccccc1COCC#N 7a_100011663872_100011215382 [0,2,0,0,0,0|1,0,1]=4 6814 B13R1.84 CCc1ccccc1COCC=O 34a_100011663872_200009817547 [0,2,0,0,0,0|2,0,0]=4 6815 B13R1.84 CCc1ccccc1COCC=O 7a_100011663872_200015260668 [0,2,0,0,0,0|2,0,0]=4 6816 B13R1.84 CCc1ccccc1COCCF 34a_100011663872_100011217306 [0,2,0,0,0,0|2,0,0]=4 6817 B13R1.84 CCc1ccccc1COCCF 7a_100011663872_100011217306 [0,2,0,0,0,0|2,0,0]=4 6818 B13R1.84 CCc1ccccc1COCCO 34a_100011663872_100000211926 [0,2,0,0,0,0|2,0,0]=4 6819 B13R1.84 CCc1ccccc1COCCO 7a_100011663872_100000211926 [0,2,0,0,0,0|2,0,0]=4 6820 B13R1.84 CCc1ccccc1COCSC 34a_100011663872_100011218213 [0,2,0,0,0,0|2,0,0]=4 6821 B13R1.84 CCc1ccccc1NCCC#N 2230a_100000212081_100011215226 [0,2,0,0,0,0|1,0,1]=4 6822 B13R1.84 CCc1ccccc1NCCC#N 7a_100000212081_100000184422 [0,2,0,0,0,0|1,0,1]=4 6823 B13R1.84 CCc1ccccc1NCCCF 2230a_100000212081_100011934791 [0,2,0,0,0,0|2,0,0]=4 6824 B13R1.84 CCc1ccccc1NCCCF 34a_100000212081_100011934791 [0,2,0,0,0,0|2,0,0]=4 6825 B13R1.84 CCc1ccccc1NCCCF 7a_100000212081_100011934791 [0,2,0,0,0,0|2,0,0]=4 6826 B13R1.84 CCc1ccccc1NCCCO 2230a_100000212081_100000230001 [0,2,0,0,0,0|2,0,0]=4 6827 B13R1.84 CCc1ccccc1NCCCO 34a_100000212081_100000230001 [0,2,0,0,0,0|2,0,0]=4 6828 B13R1.84 CCc1ccccc1NCCCO 7a_100000212081_100011215043 [0,2,0,0,0,0|2,0,0]=4 6829 B13R1.84 CCc1ccccc1NCCOC 2230a_100000212081_100011201679 [0,2,0,0,0,0|2,0,0]=4 6830 B13R1.84 CCc1ccccc1NCCOC 34a_100000212081_100011201679 [0,2,0,0,0,0|2,0,0]=4 6831 B13R1.84 CCc1ccccc1NCCOC 7a_100000212081_100000233755 [0,2,0,0,0,0|2,0,0]=4 6832 B13R1.84 CCc1ccccc1NCCSC 2230a_100000212081_100000751147 [0,2,0,0,0,0|2,0,0]=4 6833 B13R1.84 CCc1ccccc1NCCSC 34a_100000212081_100000212216 [0,2,0,0,0,0|2,0,0]=4 6834 B13R1.84 CCc1ccccc1NCCSC 7a_100000212081_100000212216 [0,2,0,0,0,0|2,0,0]=4 6835 B13R1.84 CCc1ccccc1OCCC#N 7a_100000210936_100000184422 [0,2,0,0,0,0|1,0,1]=4 6836 B13R1.84 CCc1ccccc1OCCCF 34a_100000210936_100011934791 [0,2,0,0,0,0|2,0,0]=4 6837 B13R1.84 CCc1ccccc1OCCCF 7a_100000210936_100011934791 [0,2,0,0,0,0|2,0,0]=4 6838 B13R1.84 CCc1ccccc1OCCCO 34a_100000210936_100000230001 [0,2,0,0,0,0|2,0,0]=4 6839 B13R1.84 CCc1ccccc1OCCCO 7a_100000210936_100011215043 [0,2,0,0,0,0|2,0,0]=4 6840 B13R1.84 CCc1ccccc1OCCOC 34a_100000210936_100011201679 [0,2,0,0,0,0|2,0,0]=4 6841 B13R1.84 CCc1ccccc1OCCOC 7a_100000210936_100000233755 [0,2,0,0,0,0|2,0,0]=4 6842 B13R1.84 CCc1ccccc1OCCSC 34a_100000210936_100000212216 [0,2,0,0,0,0|2,0,0]=4 6843 B13R1.84 CCc1ccccc1OCCSC 7a_100000210936_100000212216 [0,2,0,0,0,0|2,0,0]=4 6844 B13R1.84 CCc1ccccc1SCCC#N 62a_100011215226_100011215823 [0,2,0,0,0,0|1,0,1]=4 6845 B13R1.84 CCc1ccccc1SCCC#N 62a_100011215823_100011215226 [0,2,0,0,0,0|1,0,1]=4 6846 B13R1.84 CCc1ccccc1SCCCF 62a_100011215823_100011934791 [0,2,0,0,0,0|2,0,0]=4 6847 B13R1.84 CCc1ccccc1SCCCF 62a_100011934791_100011215823 [0,2,0,0,0,0|2,0,0]=4 6848 B13R1.84 CCc1ccccc1SCCCO 62a_100011215043_100011215823 [0,2,0,0,0,0|2,0,0]=4 6849 B13R1.84 CCc1ccccc1SCCCO 62a_100011215823_100011215043 [0,2,0,0,0,0|2,0,0]=4 6850 B13R1.84 CCc1ccccc1SCCOC 62a_100000233755_100011215823 [0,2,0,0,0,0|2,0,0]=4 6851 B13R1.84 CCc1ccccc1SCCOC 62a_100011215823_100000233755 [0,2,0,0,0,0|2,0,0]=4 6852 B13R1.84 CCc1ccccc1SCCSC 62a_100000212216_100011215823 [0,2,0,0,0,0|2,0,0]=4 6853 B13R1.84 CCc1ccccc1SCCSC 62a_100011215823_100000751147 [0,2,0,0,0,0|2,0,0]=4 6854 B13R1.84 CNCC=Cc1ccccc1OC 270004a_106832991635_100000210733 [0,2,0,0,0,0|0,0,1]=3 6855 B13R1.84 CNCCCc1ccccc1OC 270004a_106832991635_100011713476 [0,2,0,0,0,0|0,0,0]=2 6856 B13R1.84 CNCCOc1ccccc1C#N 2230a_106726388804_200000210301 [0,2,0,0,0,0|2,0,0]=4 6857 B13R1.84 CNCCOc1ccccc1C#N 2230a_106832991635_100000743737 [0,2,0,0,0,0|2,0,0]=4 6858 B13R1.84 CNCCOc1ccccc1C#N 34a_100102657272_100000743737 [0,2,0,0,0,0|2,0,0]=4 6859 B13R1.84 CNCCOc1ccccc1C#N 34a_106726388804_200000210301 [0,2,0,0,0,0|2,0,0]=4 6860 B13R1.84 CNCCOc1ccccc1C#N 7a_106832991635_100000743737 [0,2,0,0,0,0|2,0,0]=4 6861 B13R1.84 CNCCOc1ccccc1C=O 2230a_106832991635_100009990610 [0,2,0,0,0,0|2,0,0]=4 6862 B13R1.84 CNCCOc1ccccc1C=O 34a_100102657272_100009990610 [0,2,0,0,0,0|2,0,0]=4 6863 B13R1.84 CNCCOc1ccccc1C=O 7a_106832991635_100009990610 [0,2,0,0,0,0|2,0,0]=4 6864 B13R1.84 CNCCOc1ccccc1OC 2230a_100000683763_200000210301 [0,2,0,0,0,0|0,0,0]=2 6865 B13R1.84 CNCCOc1ccccc1OC 2230a_106832991635_100000188471 [0,2,0,0,0,0|0,0,0]=2 6866 B13R1.84 CNCCOc1ccccc1OC 34a_100000683763_200000210301 [0,2,0,0,0,0|0,0,0]=2 6867 B13R1.84 CNCCOc1ccccc1OC 34a_100102657272_100000188471 [0,2,0,0,0,0|0,0,0]=2 6868 B13R1.84 CNCCOc1ccccc1OC 7a_106832991635_100000188471 [0,2,0,0,0,0|0,0,0]=2 6869 B13R1.84 CNCCOc1ccccc1SC 2230a_100011893647_200000210301 [0,2,0,0,0,0|0,1,0]=3 6870 B13R1.84 CNCCOc1ccccc1SC 34a_100011893647_200000210301 [0,2,0,0,0,0|0,1,0]=3 6871 B13R1.84 CNc1ccccc1OCCCF 34a_100000033821_100011934791 [0,2,0,0,0,0|2,0,0]=4 6872 B13R1.84 CNc1ccccc1OCCCO 34a_100000033821_100000230001 [0,2,0,0,0,0|2,0,0]=4 6873 B13R1.84 CNc1ccccc1OCCOC 34a_100000033821_100011201679 [0,2,0,0,0,0|2,0,0]=4 6874 B13R1.84 CNc1ccccc1OCCOC 34a_100000744978_200000210301 [0,2,0,0,0,0|2,0,0]=4 6875 B13R1.84 CNc1ccccc1OCCSC 34a_100000033821_100000212216 [0,2,0,0,0,0|2,0,0]=4 6876 B13R1.84 CNc1ccccc1SCCC#N 62a_100011215226_100020606079 [0,2,0,0,0,0|1,0,1]=4 6877 B13R1.84 CNc1ccccc1SCCC#N 62a_100020606079_100011215226 [0,2,0,0,0,0|1,0,1]=4 6878 B13R1.84 CNc1ccccc1SCCC#N 7a_100000753675_200000210301 [0,2,0,0,0,0|1,0,1]=4 6879 B13R1.84 CNc1ccccc1SCCCF 62a_100011934791_100020606079 [0,2,0,0,0,0|2,0,0]=4 6880 B13R1.84 CNc1ccccc1SCCCF 62a_100020606079_100011934791 [0,2,0,0,0,0|2,0,0]=4 6881 B13R1.84 CNc1ccccc1SCCCO 62a_100011215043_100020606079 [0,2,0,0,0,0|2,0,0]=4 6882 B13R1.84 CNc1ccccc1SCCCO 62a_100020606079_100011215043 [0,2,0,0,0,0|2,0,0]=4 6883 B13R1.84 CNc1ccccc1SCCOC 62a_100000233755_100020606079 [0,2,0,0,0,0|2,0,0]=4 6884 B13R1.84 CNc1ccccc1SCCOC 62a_100020606079_100000233755 [0,2,0,0,0,0|2,0,0]=4 6885 B13R1.84 CNc1ccccc1SCCSC 62a_100000212216_100020606079 [0,2,0,0,0,0|2,0,0]=4 6886 B13R1.84 CNc1ccccc1SCCSC 62a_100020606079_100000751147 [0,2,0,0,0,0|2,0,0]=4 6887 B13R1.84 COCC=Cc1ccccc1OC 271570a_100016286323_100000174000 [0,2,0,0,0,0|1,0,1]=4 6888 B13R1.84 COCCCc1ccccc1OC 34a_100011709264_200000210301 [0,2,0,0,0,0|1,0,0]=3 6889 B13R1.84 COCCCc1ccccc1OC 7a_100011709264_200000210301 [0,2,0,0,0,0|1,0,0]=3 6890 B13R1.84 COCCNc1ccccc1OC 34a_100000210025_100011201679 [0,2,0,0,0,0|1,0,0]=3 6891 B13R1.84 COCCNc1ccccc1SC 34a_100000211160_100011201679 [0,2,0,0,0,0|1,1,0]=4 6892 B13R1.84 COCCOc1ccccc1N[13CH3] 34a_100000744978_200025704644 [0,2,0,0,0,0|2,0,0]=4 6893 B13R1.84 COCCOc1ccccc1OC 34a_100000210385_100011201679 [0,2,0,0,0,0|1,0,0]=3 6894 B13R1.84 COCCOc1ccccc1OC 34a_100138415774_100000188471 [0,2,0,0,0,0|1,0,0]=3 6895 B13R1.84 COCCOc1ccccc1SC 34a_100011216402_100011201679 [0,2,0,0,0,0|1,1,0]=4 6896 B13R1.84 COCCOc1ccccc1SC 62a_100000234100_200000210301 [0,2,0,0,0,0|1,1,0]=4 6897 B13R1.84 COCCOc1ccccc1SC 62a_200000210301_100000234100 [0,2,0,0,0,0|1,1,0]=4 6898 B13R1.84 COCCOc1ccccc1S[13CH3] 62a_100000234100_200025704644 [0,2,0,0,0,0|1,1,0]=4 6899 B13R1.84 COCCOc1ccccc1S[13CH3] 62a_200025704644_100000234100 [0,2,0,0,0,0|1,1,0]=4 6900 B13R1.84 COCCOc1cccnc1OC 34a_100000698397_100011201679 [0,2,0,0,0,0|2,0,0]=4 6901 B13R1.84 COCCOc1cccnc1OC 7a_100000698397_100000233755 [0,2,0,0,0,0|2,0,0]=4 6902 B13R1.84 COCCOc1cnccc1OC 34a_100000101186_100011201679 [0,2,0,0,0,0|2,0,0]=4 6903 B13R1.84 COCCOc1ncccc1OC 34a_100025773188_100011201679 [0,2,0,0,0,0|2,0,0]=4 6904 B13R1.84 COCCSc1ccccc1OC 62a_100000210334_100000233755 [0,2,0,0,0,0|1,0,0]=3 6905 B13R1.84 COCCSc1ccccc1OC 62a_100000233755_100000210334 [0,2,0,0,0,0|1,0,0]=3 6906 B13R1.84 COCCSc1ccccc1OC 7a_200011448452_200000210301 [0,2,0,0,0,0|1,0,0]=3 6907 B13R1.84 COCCSc1ccccc1SC 62a_100000233755_100011217816 [0,2,0,0,0,0|1,1,0]=4 6908 B13R1.84 COCCSc1ccccc1SC 62a_100011217816_100000233755 [0,2,0,0,0,0|1,1,0]=4 6909 B13R1.84 COCCSc1ccccc1SC 62a_200000210301_200016336083 [0,2,0,0,0,0|1,1,0]=4 6910 B13R1.84 COCCSc1ccccc1SC 62a_200016336083_200000210301 [0,2,0,0,0,0|1,1,0]=4 6911 B13R1.84 COCCSc1ccccc1S[13CH3] 62a_200016336083_200025704644 [0,2,0,0,0,0|1,1,0]=4 6912 B13R1.84 COCCSc1ccccc1S[13CH3] 62a_200025704644_200016336083 [0,2,0,0,0,0|1,1,0]=4 6913 B13R1.84 COCCSc1cccnc1OC 62a_100000047025_100000233755 [0,2,0,0,0,0|2,0,0]=4 6914 B13R1.84 COCCSc1cccnc1OC 62a_100000233755_100000047025 [0,2,0,0,0,0|2,0,0]=4 6915 B13R1.84 COCCSc1ccncc1OC 62a_100000233755_100016988167 [0,2,0,0,0,0|2,0,0]=4 6916 B13R1.84 COCCSc1ccncc1OC 62a_100016988167_100000233755 [0,2,0,0,0,0|2,0,0]=4 6917 B13R1.84 COCCSc1cnccc1OC 62a_100000233755_100011997281 [0,2,0,0,0,0|2,0,0]=4 6918 B13R1.84 COCCSc1cnccc1OC 62a_100011997281_100000233755 [0,2,0,0,0,0|2,0,0]=4 6919 B13R1.84 COCCSc1ncccc1OC 62a_100000233755_100000690851 [0,2,0,0,0,0|2,0,0]=4 6920 B13R1.84 COCCSc1ncccc1OC 62a_100000767102_100000233755 [0,2,0,0,0,0|2,0,0]=4 6921 B13R1.84 COCSCc1ccccc1OC 62a_100000210004_100000766300 [0,2,0,0,0,0|1,0,0]=3 6922 B13R1.84 COCSCc1ccccc1OC 62a_100000766300_100000210004 [0,2,0,0,0,0|1,0,0]=3 6923 B13R1.84 COCSCc1ccccc1SC 62a_100000699184_100000766300 [0,2,0,0,0,0|1,1,0]=4 6924 B13R1.84 COCSCc1ccccc1SC 62a_100000766300_100000699184 [0,2,0,0,0,0|1,1,0]=4 6925 B13R1.84 COCSCc1cccnc1OC 62a_100000766300_100020631285 [0,2,0,0,0,0|2,0,0]=4 6926 B13R1.84 COCSCc1cccnc1OC 62a_100020631285_100000766300 [0,2,0,0,0,0|2,0,0]=4 6927 B13R1.84 COCSCc1ccncc1OC 62a_100000766300_100020635607 [0,2,0,0,0,0|2,0,0]=4 6928 B13R1.84 COCSCc1ccncc1OC 62a_100020635607_100000766300 [0,2,0,0,0,0|2,0,0]=4 6929 B13R1.84 COc1ccccc1CCCO[13CH3] 34a_100011709264_200025704644 [0,2,0,0,0,0|1,0,0]=3 6930 B13R1.84 COc1ccccc1CCCO[13CH3] 7a_100011709264_200025704644 [0,2,0,0,0,0|1,0,0]=3 6931 B13R1.84 COc1ccccc1CCNCF 34a_100000211851_100015361967 [0,2,0,0,0,0|0,0,0]=2 6932 B13R1.84 COc1ccccc1CCOCF 34a_100011218620_100015361967 [0,2,0,0,0,0|1,0,0]=3 6933 B13R1.84 COc1ccccc1CCOCF 7a_100011218620_100015361967 [0,2,0,0,0,0|1,0,0]=3 6934 B13R1.84 COc1ccccc1CCSCF 62a_100011713687_100015361967 [0,2,0,0,0,0|1,0,0]=3 6935 B13R1.84 COc1ccccc1CCSCF 62a_100015361967_100011713687 [0,2,0,0,0,0|1,0,0]=3 6936 B13R1.84 COc1ccccc1CNCC=O 34a_100000188900_200009817547 [0,2,0,0,0,0|1,0,0]=3 6937 B13R1.84 COc1ccccc1CNCCF 34a_100000188900_100011217306 [0,2,0,0,0,0|1,0,0]=3 6938 B13R1.84 COc1ccccc1CNCCF 34a_100000724931_100000210004 [0,2,0,0,0,0|1,0,0]=3 6939 B13R1.84 COc1ccccc1CNCCO 207a_100000210304_100000169842 [0,2,0,0,0,0|1,0,0]=3 6940 B13R1.84 COc1ccccc1CNCCO 2230a_100016997473_100000210004 [0,2,0,0,0,0|1,0,0]=3 6941 B13R1.84 COc1ccccc1CNCCO 270004a_100000210304_100000169842 [0,2,0,0,0,0|1,0,0]=3 6942 B13R1.84 COc1ccccc1CNCCO 34a_100000188900_100000211926 [0,2,0,0,0,0|1,0,0]=3 6943 B13R1.84 COc1ccccc1CNCCO 34a_100016990907_100000210004 [0,2,0,0,0,0|1,0,0]=3 6944 B13R1.84 COc1ccccc1CNCSC 34a_100000188900_100011218213 [0,2,0,0,0,0|1,0,0]=3 6945 B13R1.84 COc1ccccc1COCC=O 34a_100000211301_200009817547 [0,2,0,0,0,0|1,0,0]=3 6946 B13R1.84 COc1ccccc1COCCBr 34a_100000211926_100000210004 [0,2,0,0,0,0|1,0,0]=3 6947 B13R1.84 COc1ccccc1COCCF 34a_100000211301_100011217306 [0,2,0,0,0,0|1,0,0]=3 6948 B13R1.84 COc1ccccc1COCCN 34a_100000210304_100000210004 [0,2,0,0,0,0|0,0,0]=2 6949 B13R1.84 COc1ccccc1COCCO 34a_100000211301_100000211926 [0,2,0,0,0,0|1,0,0]=3 6950 B13R1.84 COc1ccccc1COCSC 34a_100000211301_100011218213 [0,2,0,0,0,0|1,0,0]=3 6951 B13R1.84 COc1ccccc1CSCC#N 62a_100000210004_100011215382 [0,2,0,0,0,0|0,0,1]=3 6952 B13R1.84 COc1ccccc1CSCC#N 62a_100011215382_100000210004 [0,2,0,0,0,0|0,0,1]=3 6953 B13R1.84 COc1ccccc1CSCC=O 62a_100000210004_200015260668 [0,2,0,0,0,0|1,0,0]=3 6954 B13R1.84 COc1ccccc1CSCC=O 62a_200015260668_100000210004 [0,2,0,0,0,0|1,0,0]=3 6955 B13R1.84 COc1ccccc1CSCCF 62a_100000210004_100011217306 [0,2,0,0,0,0|1,0,0]=3 6956 B13R1.84 COc1ccccc1CSCCF 62a_100011217306_100000210004 [0,2,0,0,0,0|1,0,0]=3 6957 B13R1.84 COc1ccccc1CSCCO 62a_100000210004_100000211926 [0,2,0,0,0,0|1,0,0]=3 6958 B13R1.84 COc1ccccc1CSCCO 62a_100000211926_100000210004 [0,2,0,0,0,0|1,0,0]=3 6959 B13R1.84 COc1ccccc1CSCSC 62a_100000210004_100011218213 [0,2,0,0,0,0|1,0,0]=3 6960 B13R1.84 COc1ccccc1CSCSC 62a_100011218213_100000210004 [0,2,0,0,0,0|1,0,0]=3 6961 B13R1.84 COc1ccccc1NCCCF 34a_100000210025_100011934791 [0,2,0,0,0,0|1,0,0]=3 6962 B13R1.84 COc1ccccc1NCCCO 34a_100000210025_100000230001 [0,2,0,0,0,0|1,0,0]=3 6963 B13R1.84 COc1ccccc1NCCSC 34a_100000210025_100000212216 [0,2,0,0,0,0|1,0,0]=3 6964 B13R1.84 COc1ccccc1OCCCF 34a_100000210385_100011934791 [0,2,0,0,0,0|1,0,0]=3 6965 B13R1.84 COc1ccccc1OCCCO 34a_100000210385_100000230001 [0,2,0,0,0,0|1,0,0]=3 6966 B13R1.84 COc1ccccc1OCCN[13CH3] 2230a_100000683763_200025704644 [0,2,0,0,0,0|0,0,0]=2 6967 B13R1.84 COc1ccccc1OCCN[13CH3] 34a_100000683763_200025704644 [0,2,0,0,0,0|0,0,0]=2 6968 B13R1.84 COc1ccccc1OCCSC 34a_100000210385_100000212216 [0,2,0,0,0,0|1,0,0]=3 6969 B13R1.84 COc1ccccc1OCCSC 62a_100000188471_200000210301 [0,2,0,0,0,0|1,0,0]=3 6970 B13R1.84 COc1ccccc1OCCSC 62a_200000210301_100000188471 [0,2,0,0,0,0|1,0,0]=3 6971 B13R1.84 COc1ccccc1OCCS[13CH3] 62a_100000188471_200025704644 [0,2,0,0,0,0|1,0,0]=3 6972 B13R1.84 COc1ccccc1OCCS[13CH3] 62a_200025704644_100000188471 [0,2,0,0,0,0|1,0,0]=3 6973 B13R1.84 COc1ccccc1SCCC#N 62a_100000210334_100011215226 [0,2,0,0,0,0|0,0,1]=3 6974 B13R1.84 COc1ccccc1SCCC#N 62a_100011215226_100000210334 [0,2,0,0,0,0|0,0,1]=3 6975 B13R1.84 COc1ccccc1SCCCF 62a_100000210334_100011934791 [0,2,0,0,0,0|1,0,0]=3 6976 B13R1.84 COc1ccccc1SCCCF 62a_100011934791_100000210334 [0,2,0,0,0,0|1,0,0]=3 6977 B13R1.84 COc1ccccc1SCCCO 62a_100000210334_100011215043 [0,2,0,0,0,0|1,0,0]=3 6978 B13R1.84 COc1ccccc1SCCCO 62a_100011215043_100000210334 [0,2,0,0,0,0|1,0,0]=3 6979 B13R1.84 COc1ccccc1SCCO[13CH3] 7a_200011448452_200025704644 [0,2,0,0,0,0|1,0,0]=3 6980 B13R1.84 COc1ccccc1SCCSC 62a_100000210334_100000751147 [0,2,0,0,0,0|1,0,0]=3 6981 B13R1.84 COc1ccccc1SCCSC 62a_100000212216_100000210334 [0,2,0,0,0,0|1,0,0]=3 6982 B13R1.84 COc1ccccc1SCSC#N 62a_100000210334_100000211825 [0,2,0,0,0,0|0,0,2]=4 6983 B13R1.84 COc1ccccc1SCSC#N 62a_100000211825_100000210334 [0,2,0,0,0,0|0,0,2]=4 6984 B13R1.84 COc1cccnc1CNCCO 207a_100000210304_100011912573 [0,2,0,0,0,0|2,0,0]=4 6985 B13R1.84 COc1cccnc1CNCCO 270004a_100000210304_100011912573 [0,2,0,0,0,0|2,0,0]=4 6986 B13R1.84 COc1cccnc1COCC=O 34a_100011998681_200009817547 [0,2,0,0,0,0|2,0,0]=4 6987 B13R1.84 COc1cccnc1COCCF 34a_100011998681_100011217306 [0,2,0,0,0,0|2,0,0]=4 6988 B13R1.84 COc1cccnc1COCCO 34a_100011998681_100000211926 [0,2,0,0,0,0|2,0,0]=4 6989 B13R1.84 COc1cccnc1COCSC 34a_100011998681_100011218213 [0,2,0,0,0,0|2,0,0]=4 6990 B13R1.84 COc1cccnc1OCCCF 34a_100025773188_100011934791 [0,2,0,0,0,0|2,0,0]=4 6991 B13R1.84 COc1cccnc1OCCCO 34a_100025773188_100000230001 [0,2,0,0,0,0|2,0,0]=4 6992 B13R1.84 COc1cccnc1OCCSC 34a_100025773188_100000212216 [0,2,0,0,0,0|2,0,0]=4 6993 B13R1.84 COc1cccnc1SCCC#N 62a_100000767102_100011215226 [0,2,0,0,0,0|1,0,1]=4 6994 B13R1.84 COc1cccnc1SCCC#N 62a_100011215226_100000690851 [0,2,0,0,0,0|1,0,1]=4 6995 B13R1.84 COc1cccnc1SCCCF 62a_100000767102_100011934791 [0,2,0,0,0,0|2,0,0]=4 6996 B13R1.84 COc1cccnc1SCCCF 62a_100011934791_100000690851 [0,2,0,0,0,0|2,0,0]=4 6997 B13R1.84 COc1cccnc1SCCCO 62a_100000767102_100011215043 [0,2,0,0,0,0|2,0,0]=4 6998 B13R1.84 COc1cccnc1SCCCO 62a_100011215043_100000690851 [0,2,0,0,0,0|2,0,0]=4 6999 B13R1.84 COc1cccnc1SCCSC 62a_100000212216_100000690851 [0,2,0,0,0,0|2,0,0]=4 7000 B13R1.84 COc1cccnc1SCCSC 62a_100000767102_100000751147 [0,2,0,0,0,0|2,0,0]=4 7001 B13R1.84 COc1ccncc1CNCCO 207a_100000210304_200011997045 [0,2,0,0,0,0|2,0,0]=4 7002 B13R1.84 COc1ccncc1CNCCO 270004a_100000210304_200011997045 [0,2,0,0,0,0|2,0,0]=4 7003 B13R1.84 COc1ccncc1OCCCF 34a_100000101186_100011934791 [0,2,0,0,0,0|2,0,0]=4 7004 B13R1.84 COc1ccncc1OCCCO 34a_100000101186_100000230001 [0,2,0,0,0,0|2,0,0]=4 7005 B13R1.84 COc1ccncc1OCCSC 34a_100000101186_100000212216 [0,2,0,0,0,0|2,0,0]=4 7006 B13R1.84 COc1ccncc1SCCC#N 62a_100011215226_100011997281 [0,2,0,0,0,0|1,0,1]=4 7007 B13R1.84 COc1ccncc1SCCC#N 62a_100011997281_100011215226 [0,2,0,0,0,0|1,0,1]=4 7008 B13R1.84 COc1ccncc1SCCCF 62a_100011934791_100011997281 [0,2,0,0,0,0|2,0,0]=4 7009 B13R1.84 COc1ccncc1SCCCF 62a_100011997281_100011934791 [0,2,0,0,0,0|2,0,0]=4 7010 B13R1.84 COc1ccncc1SCCCO 62a_100011215043_100011997281 [0,2,0,0,0,0|2,0,0]=4 7011 B13R1.84 COc1ccncc1SCCCO 62a_100011997281_100011215043 [0,2,0,0,0,0|2,0,0]=4 7012 B13R1.84 COc1ccncc1SCCSC 62a_100000212216_100011997281 [0,2,0,0,0,0|2,0,0]=4 7013 B13R1.84 COc1ccncc1SCCSC 62a_100011997281_100000751147 [0,2,0,0,0,0|2,0,0]=4 7014 B13R1.84 COc1cnccc1CNCCO 207a_100000210304_100011361505 [0,2,0,0,0,0|2,0,0]=4 7015 B13R1.84 COc1cnccc1CNCCO 2230a_100016997473_100020635607 [0,2,0,0,0,0|2,0,0]=4 7016 B13R1.84 COc1cnccc1CNCCO 270004a_100000210304_100011361505 [0,2,0,0,0,0|2,0,0]=4 7017 B13R1.84 COc1cnccc1CSCC#N 62a_100011215382_100020635607 [0,2,0,0,0,0|1,0,1]=4 7018 B13R1.84 COc1cnccc1CSCC#N 62a_100020635607_100011215382 [0,2,0,0,0,0|1,0,1]=4 7019 B13R1.84 COc1cnccc1CSCC=O 62a_100020635607_200015260668 [0,2,0,0,0,0|2,0,0]=4 7020 B13R1.84 COc1cnccc1CSCC=O 62a_200015260668_100020635607 [0,2,0,0,0,0|2,0,0]=4 7021 B13R1.84 COc1cnccc1CSCCF 62a_100011217306_100020635607 [0,2,0,0,0,0|2,0,0]=4 7022 B13R1.84 COc1cnccc1CSCCF 62a_100020635607_100011217306 [0,2,0,0,0,0|2,0,0]=4 7023 B13R1.84 COc1cnccc1CSCCO 62a_100000211926_100020635607 [0,2,0,0,0,0|2,0,0]=4 7024 B13R1.84 COc1cnccc1CSCCO 62a_100020635607_100000211926 [0,2,0,0,0,0|2,0,0]=4 7025 B13R1.84 COc1cnccc1CSCSC 62a_100011218213_100020635607 [0,2,0,0,0,0|2,0,0]=4 7026 B13R1.84 COc1cnccc1CSCSC 62a_100020635607_100011218213 [0,2,0,0,0,0|2,0,0]=4 7027 B13R1.84 COc1cnccc1SCCC#N 62a_100011215226_100016988167 [0,2,0,0,0,0|1,0,1]=4 7028 B13R1.84 COc1cnccc1SCCC#N 62a_100016988167_100011215226 [0,2,0,0,0,0|1,0,1]=4 7029 B13R1.84 COc1cnccc1SCCCF 62a_100011934791_100016988167 [0,2,0,0,0,0|2,0,0]=4 7030 B13R1.84 COc1cnccc1SCCCF 62a_100016988167_100011934791 [0,2,0,0,0,0|2,0,0]=4 7031 B13R1.84 COc1cnccc1SCCCO 62a_100011215043_100016988167 [0,2,0,0,0,0|2,0,0]=4 7032 B13R1.84 COc1cnccc1SCCCO 62a_100016988167_100011215043 [0,2,0,0,0,0|2,0,0]=4 7033 B13R1.84 COc1cnccc1SCCSC 62a_100000212216_100016988167 [0,2,0,0,0,0|2,0,0]=4 7034 B13R1.84 COc1cnccc1SCCSC 62a_100016988167_100000751147 [0,2,0,0,0,0|2,0,0]=4 7035 B13R1.84 COc1ncccc1CNCCF 34a_100000724931_100020631285 [0,2,0,0,0,0|2,0,0]=4 7036 B13R1.84 COc1ncccc1CNCCO 207a_100000210304_100011290804 [0,2,0,0,0,0|2,0,0]=4 7037 B13R1.84 COc1ncccc1CNCCO 2230a_100016997473_100020631285 [0,2,0,0,0,0|2,0,0]=4 7038 B13R1.84 COc1ncccc1CNCCO 270004a_100000210304_100011290804 [0,2,0,0,0,0|2,0,0]=4 7039 B13R1.84 COc1ncccc1CNCCO 34a_100016990907_100020631285 [0,2,0,0,0,0|2,0,0]=4 7040 B13R1.84 COc1ncccc1COCC=O 34a_100000717863_200009817547 [0,2,0,0,0,0|2,0,0]=4 7041 B13R1.84 COc1ncccc1COCCBr 34a_100000211926_100020631285 [0,2,0,0,0,0|2,0,0]=4 7042 B13R1.84 COc1ncccc1COCCF 34a_100000717863_100011217306 [0,2,0,0,0,0|2,0,0]=4 7043 B13R1.84 COc1ncccc1COCCN 34a_100000210304_100020631285 [0,2,0,0,0,0|1,0,0]=3 7044 B13R1.84 COc1ncccc1COCCO 34a_100000717863_100000211926 [0,2,0,0,0,0|2,0,0]=4 7045 B13R1.84 COc1ncccc1COCSC 34a_100000717863_100011218213 [0,2,0,0,0,0|2,0,0]=4 7046 B13R1.84 COc1ncccc1CSCC#N 62a_100011215382_100020631285 [0,2,0,0,0,0|1,0,1]=4 7047 B13R1.84 COc1ncccc1CSCC#N 62a_100020631285_100011215382 [0,2,0,0,0,0|1,0,1]=4 7048 B13R1.84 COc1ncccc1CSCC=O 62a_100020631285_200015260668 [0,2,0,0,0,0|2,0,0]=4 7049 B13R1.84 COc1ncccc1CSCC=O 62a_200015260668_100020631285 [0,2,0,0,0,0|2,0,0]=4 7050 B13R1.84 COc1ncccc1CSCCF 62a_100011217306_100020631285 [0,2,0,0,0,0|2,0,0]=4 7051 B13R1.84 COc1ncccc1CSCCF 62a_100020631285_100011217306 [0,2,0,0,0,0|2,0,0]=4 7052 B13R1.84 COc1ncccc1CSCCO 62a_100000211926_100020631285 [0,2,0,0,0,0|2,0,0]=4 7053 B13R1.84 COc1ncccc1CSCCO 62a_100020631285_100000211926 [0,2,0,0,0,0|2,0,0]=4 7054 B13R1.84 COc1ncccc1CSCSC 62a_100011218213_100020631285 [0,2,0,0,0,0|2,0,0]=4 7055 B13R1.84 COc1ncccc1CSCSC 62a_100020631285_100011218213 [0,2,0,0,0,0|2,0,0]=4 7056 B13R1.84 COc1ncccc1OCCC#N 7a_100000698397_100000184422 [0,2,0,0,0,0|1,0,1]=4 7057 B13R1.84 COc1ncccc1OCCCF 34a_100000698397_100011934791 [0,2,0,0,0,0|2,0,0]=4 7058 B13R1.84 COc1ncccc1OCCCF 7a_100000698397_100011934791 [0,2,0,0,0,0|2,0,0]=4 7059 B13R1.84 COc1ncccc1OCCCO 34a_100000698397_100000230001 [0,2,0,0,0,0|2,0,0]=4 7060 B13R1.84 COc1ncccc1OCCCO 7a_100000698397_100011215043 [0,2,0,0,0,0|2,0,0]=4 7061 B13R1.84 COc1ncccc1OCCSC 34a_100000698397_100000212216 [0,2,0,0,0,0|2,0,0]=4 7062 B13R1.84 COc1ncccc1OCCSC 7a_100000698397_100000212216 [0,2,0,0,0,0|2,0,0]=4 7063 B13R1.84 COc1ncccc1SCCC#N 62a_100000047025_100011215226 [0,2,0,0,0,0|1,0,1]=4 7064 B13R1.84 COc1ncccc1SCCC#N 62a_100011215226_100000047025 [0,2,0,0,0,0|1,0,1]=4 7065 B13R1.84 COc1ncccc1SCCCF 62a_100000047025_100011934791 [0,2,0,0,0,0|2,0,0]=4 7066 B13R1.84 COc1ncccc1SCCCF 62a_100011934791_100000047025 [0,2,0,0,0,0|2,0,0]=4 7067 B13R1.84 COc1ncccc1SCCCO 62a_100000047025_100011215043 [0,2,0,0,0,0|2,0,0]=4 7068 B13R1.84 COc1ncccc1SCCCO 62a_100011215043_100000047025 [0,2,0,0,0,0|2,0,0]=4 7069 B13R1.84 COc1ncccc1SCCSC 62a_100000047025_100000751147 [0,2,0,0,0,0|2,0,0]=4 7070 B13R1.84 COc1ncccc1SCCSC 62a_100000212216_100000047025 [0,2,0,0,0,0|2,0,0]=4 7071 B13R1.84 CSCCNc1ccccc1SC 34a_100000211160_100000212216 [0,2,0,0,0,0|1,1,0]=4 7072 B13R1.84 CSCCOc1ccccc1SC 34a_100011216402_100000212216 [0,2,0,0,0,0|1,1,0]=4 7073 B13R1.84 CSCCSc1ccccc1SC 62a_100000212216_100011217816 [0,2,0,0,0,0|1,1,0]=4 7074 B13R1.84 CSCCSc1ccccc1SC 62a_100011217816_100000751147 [0,2,0,0,0,0|1,1,0]=4 7075 B13R1.84 CSCNCc1ccccc1SC 34a_102495365025_100011218213 [0,2,0,0,0,0|1,1,0]=4 7076 B13R1.84 CSCOCc1ccccc1SC 34a_100000699167_100011218213 [0,2,0,0,0,0|1,1,0]=4 7077 B13R1.84 CSCSCc1ccccc1SC 62a_100000699184_100011218213 [0,2,0,0,0,0|1,1,0]=4 7078 B13R1.84 CSCSCc1ccccc1SC 62a_100011218213_100000699184 [0,2,0,0,0,0|1,1,0]=4 7079 B13R1.84 CSc1ccccc1CCCCO 62a_100012092669_200000210301 [0,2,0,0,0,0|1,1,0]=4 7080 B13R1.84 CSc1ccccc1CCCCO 62a_200000210301_100012092669 [0,2,0,0,0,0|1,1,0]=4 7081 B13R1.84 CSc1ccccc1CNCC=O 34a_102495365025_200009817547 [0,2,0,0,0,0|1,1,0]=4 7082 B13R1.84 CSc1ccccc1CNCCF 34a_100000724931_100000699184 [0,2,0,0,0,0|1,1,0]=4 7083 B13R1.84 CSc1ccccc1CNCCF 34a_102495365025_100011217306 [0,2,0,0,0,0|1,1,0]=4 7084 B13R1.84 CSc1ccccc1CNCCO 207a_100000210304_100011217347 [0,2,0,0,0,0|1,1,0]=4 7085 B13R1.84 CSc1ccccc1CNCCO 2230a_100016997473_100000699184 [0,2,0,0,0,0|1,1,0]=4 7086 B13R1.84 CSc1ccccc1CNCCO 270004a_100000210304_100011217347 [0,2,0,0,0,0|1,1,0]=4 7087 B13R1.84 CSc1ccccc1CNCCO 34a_100016990907_100000699184 [0,2,0,0,0,0|1,1,0]=4 7088 B13R1.84 CSc1ccccc1CNCCO 34a_102495365025_100000211926 [0,2,0,0,0,0|1,1,0]=4 7089 B13R1.84 CSc1ccccc1CNCCO 62a_106744479749_200000210301 [0,2,0,0,0,0|1,1,0]=4 7090 B13R1.84 CSc1ccccc1CNCCO 62a_200000210301_106744479749 [0,2,0,0,0,0|1,1,0]=4 7091 B13R1.84 CSc1ccccc1COCC=O 34a_100000699167_200009817547 [0,2,0,0,0,0|1,1,0]=4 7092 B13R1.84 CSc1ccccc1COCCBr 34a_100000211926_100000699184 [0,2,0,0,0,0|1,1,0]=4 7093 B13R1.84 CSc1ccccc1COCCF 34a_100000699167_100011217306 [0,2,0,0,0,0|1,1,0]=4 7094 B13R1.84 CSc1ccccc1COCCN 34a_100000210304_100000699184 [0,2,0,0,0,0|0,1,0]=3 7095 B13R1.84 CSc1ccccc1COCCO 34a_100000699167_100000211926 [0,2,0,0,0,0|1,1,0]=4 7096 B13R1.84 CSc1ccccc1CSCC#N 62a_100000699184_100011215382 [0,2,0,0,0,0|0,1,1]=4 7097 B13R1.84 CSc1ccccc1CSCC#N 62a_100011215382_100000699184 [0,2,0,0,0,0|0,1,1]=4 7098 B13R1.84 CSc1ccccc1CSCC=O 62a_100000699184_200015260668 [0,2,0,0,0,0|1,1,0]=4 7099 B13R1.84 CSc1ccccc1CSCC=O 62a_200015260668_100000699184 [0,2,0,0,0,0|1,1,0]=4 7100 B13R1.84 CSc1ccccc1CSCCF 62a_100000699184_100011217306 [0,2,0,0,0,0|1,1,0]=4 7101 B13R1.84 CSc1ccccc1CSCCF 62a_100011217306_100000699184 [0,2,0,0,0,0|1,1,0]=4 7102 B13R1.84 CSc1ccccc1CSCCO 62a_100000211926_100000699184 [0,2,0,0,0,0|1,1,0]=4 7103 B13R1.84 CSc1ccccc1CSCCO 62a_100000699184_100000211926 [0,2,0,0,0,0|1,1,0]=4 7104 B13R1.84 CSc1ccccc1NCCCF 34a_100000211160_100011934791 [0,2,0,0,0,0|1,1,0]=4 7105 B13R1.84 CSc1ccccc1NCCCO 34a_100000211160_100000230001 [0,2,0,0,0,0|1,1,0]=4 7106 B13R1.84 CSc1ccccc1OCCCF 34a_100011216402_100011934791 [0,2,0,0,0,0|1,1,0]=4 7107 B13R1.84 CSc1ccccc1OCCCO 34a_100011216402_100000230001 [0,2,0,0,0,0|1,1,0]=4 7108 B13R1.84 CSc1ccccc1OCCN[13CH3] 2230a_100011893647_200025704644 [0,2,0,0,0,0|0,1,0]=3 7109 B13R1.84 CSc1ccccc1OCCN[13CH3] 34a_100011893647_200025704644 [0,2,0,0,0,0|0,1,0]=3 7110 B13R1.84 CSc1ccccc1SCCC#N 62a_100011215226_100011217816 [0,2,0,0,0,0|0,1,1]=4 7111 B13R1.84 CSc1ccccc1SCCC#N 62a_100011217816_100011215226 [0,2,0,0,0,0|0,1,1]=4 7112 B13R1.84 CSc1ccccc1SCCCF 62a_100011217816_100011934791 [0,2,0,0,0,0|1,1,0]=4 7113 B13R1.84 CSc1ccccc1SCCCF 62a_100011934791_100011217816 [0,2,0,0,0,0|1,1,0]=4 7114 B13R1.84 CSc1ccccc1SCCCO 62a_100011215043_100011217816 [0,2,0,0,0,0|1,1,0]=4 7115 B13R1.84 CSc1ccccc1SCCCO 62a_100011217816_100011215043 [0,2,0,0,0,0|1,1,0]=4 7116 B13R1.84 FCNCCc1ccccc1[Pd]Cl 34a_106741704370_100015361967 [0,2,0,0,0,0|2,0,0]=4 7117 B13R1.84 FCNCCc1ccccc1[Pd]Cl 7a_106741704370_100015361967 [0,2,0,0,0,0|2,0,0]=4 7118 B13R1.84 N#Cc1ccccc1COCCN 34a_100000210304_100000181865 [0,2,0,0,0,0|2,0,0]=4 7119 B13R1.84 NCCOCc1ccccc1C=O 34a_100000210304_200009853537 [0,2,0,0,0,0|2,0,0]=4 7120 B13R1.84 NCCOCc1ccccc1CO 34a_100000210304_100009816955 [0,2,0,0,0,0|2,0,0]=4 7121 B13R1.84 [13CH3]NCCOc1ccccc1C#N 2230a_106726388804_200025704644 [0,2,0,0,0,0|2,0,0]=4 7122 B13R1.84 [13CH3]NCCOc1ccccc1C#N 34a_106726388804_200025704644 [0,2,0,0,0,0|2,0,0]=4 7123 B13R1.84 [13CH3]Nc1ccccc1SCCC#N 7a_100000753675_200025704644 [0,2,0,0,0,0|1,0,1]=4 7124 B13R1.84 [13CH3]Sc1ccccc1CCCCO 62a_100012092669_200025704644 [0,2,0,0,0,0|1,1,0]=4 7125 B13R1.84 [13CH3]Sc1ccccc1CCCCO 62a_200025704644_100012092669 [0,2,0,0,0,0|1,1,0]=4 7126 B13R1.84 [13CH3]Sc1ccccc1CNCCO 62a_106744479749_200025704644 [0,2,0,0,0,0|1,1,0]=4 7127 B13R1.84 [13CH3]Sc1ccccc1CNCCO 62a_200025704644_106744479749 [0,2,0,0,0,0|1,1,0]=4 7128 B13R1.90 C=C(C)CNc1ccccc1OC 34a_100000210025_100000748629 [0,2,0,0,0,0|1,0,1]=4 7129 B13R1.90 C=C(C)COc1ccccc1OC 34a_100000210385_100000748629 [0,2,0,0,0,0|1,0,1]=4 7130 B13R1.90 C=C(C)CSc1ccccc1OC 62a_100000210334_100000211660 [0,2,0,0,0,0|1,0,1]=4 7131 B13R1.90 C=C(C)CSc1ccccc1OC 62a_100000748629_100000210334 [0,2,0,0,0,0|1,0,1]=4 7132 B13R1.90 C=C(F)CNc1ccccc1OC 34a_100000210025_100009893438 [0,2,0,0,0,0|1,0,1]=4 7133 B13R1.90 C=C(F)COc1ccccc1OC 34a_100000210385_100009893438 [0,2,0,0,0,0|1,0,1]=4 7134 B13R1.90 C=C(F)CSc1ccccc1OC 62a_100000042424_100000210334 [0,2,0,0,0,0|1,0,1]=4 7135 B13R1.90 C=C(F)CSc1ccccc1OC 62a_100000210334_100000042424 [0,2,0,0,0,0|1,0,1]=4 7136 B13R1.90 C=Cc1ccccc1CCC(=O)N 271570a_100011290941_100009814947 [0,2,0,0,0,0|1,0,1]=4 7137 B13R1.90 CC(=O)NCc1ccccc1O[13CH3] 34a_200011628774_200025704644 [0,2,0,0,0,0|1,0,1]=4 7138 B13R1.90 CC(=O)NCc1ccccc1O[13CH3] 7a_200011628774_200025704644 [0,2,0,0,0,0|1,0,1]=4 7139 B13R1.90 CC(C)COc1ccccc1N[13CH3] 34a_100000742603_200025704644 [0,2,0,0,0,0|2,0,0]=4 7140 B13R1.90 CC(C)NCc1ccccc1S[13CH3] 62a_100000195800_200025704644 [0,2,0,0,0,0|1,1,0]=4 7141 B13R1.90 CC(C)NCc1ccccc1S[13CH3] 62a_200025704644_100000195800 [0,2,0,0,0,0|1,1,0]=4 7142 B13R1.90 CC(C)SCc1ccccc1S[13CH3] 62a_200000173093_200025704644 [0,2,0,0,0,0|1,1,0]=4 7143 B13R1.90 CC(C)SCc1ccccc1S[13CH3] 62a_200025704644_200000173093 [0,2,0,0,0,0|1,1,0]=4 7144 B13R1.90 CCc1ccccc1CNC(C)C 207a_100138425928_100011219594 [0,2,0,0,0,0|2,0,0]=4 7145 B13R1.90 CCc1ccccc1COC(C)C 34a_100011663872_100000210206 [0,2,0,0,0,0|2,0,0]=4 7146 B13R1.90 CCc1ccccc1COC(C)C 7a_100011663872_100000210206 [0,2,0,0,0,0|2,0,0]=4 7147 B13R1.90 CCc1ccccc1NCC(=O)N 2230a_100000212081_100000747473 [0,2,0,0,0,0|1,0,1]=4 7148 B13R1.90 CCc1ccccc1NCC(=O)N 34a_100000212081_100000187820 [0,2,0,0,0,0|1,0,1]=4 7149 B13R1.90 CCc1ccccc1NCC(=O)N 7a_100000212081_100000187820 [0,2,0,0,0,0|1,0,1]=4 7150 B13R1.90 CCc1ccccc1NCC(C)C 2230a_100000212081_100000210760 [0,2,0,0,0,0|2,0,0]=4 7151 B13R1.90 CCc1ccccc1NCC(C)C 34a_100000212081_100000210624 [0,2,0,0,0,0|2,0,0]=4 7152 B13R1.90 CCc1ccccc1NCC(C)C 7a_100000212081_100000210760 [0,2,0,0,0,0|2,0,0]=4 7153 B13R1.90 CCc1ccccc1NCC(C)O 2230a_100000212081_100011218427 [0,2,0,0,0,0|2,0,0]=4 7154 B13R1.90 CCc1ccccc1NCC(C)O 34a_100000212081_100011218427 [0,2,0,0,0,0|2,0,0]=4 7155 B13R1.90 CCc1ccccc1NCC(C)O 7a_100000212081_100011218427 [0,2,0,0,0,0|2,0,0]=4 7156 B13R1.90 CCc1ccccc1NCC(F)F 2230a_100000212081_100011934356 [0,2,0,0,0,0|2,0,0]=4 7157 B13R1.90 CCc1ccccc1NCC(F)F 34a_100000212081_100011934356 [0,2,0,0,0,0|2,0,0]=4 7158 B13R1.90 CCc1ccccc1NCC(F)F 7a_100000212081_100011934356 [0,2,0,0,0,0|2,0,0]=4 7159 B13R1.90 CCc1ccccc1NC[C@@H](C)O 2230a_100000212081_100009817552 [0,2,0,0,0,0|2,0,0]=4 7160 B13R1.90 CCc1ccccc1NC[C@@H](C)O 34a_100000212081_100009817552 [0,2,0,0,0,0|2,0,0]=4 7161 B13R1.90 CCc1ccccc1NC[C@@H](C)O 7a_100000212081_100009817552 [0,2,0,0,0,0|2,0,0]=4 7162 B13R1.90 CCc1ccccc1OCC(=O)N 34a_100000210936_100000187820 [0,2,0,0,0,0|1,0,1]=4 7163 B13R1.90 CCc1ccccc1OCC(=O)N 7a_100000210936_100000187820 [0,2,0,0,0,0|1,0,1]=4 7164 B13R1.90 CCc1ccccc1OCC(C)C 34a_100000210936_100000210624 [0,2,0,0,0,0|2,0,0]=4 7165 B13R1.90 CCc1ccccc1OCC(C)C 7a_100000210936_100000210760 [0,2,0,0,0,0|2,0,0]=4 7166 B13R1.90 CCc1ccccc1OCC(C)O 34a_100000210936_100011218427 [0,2,0,0,0,0|2,0,0]=4 7167 B13R1.90 CCc1ccccc1OCC(C)O 7a_100000210936_100011218427 [0,2,0,0,0,0|2,0,0]=4 7168 B13R1.90 CCc1ccccc1OCC(F)F 34a_100000210936_100011934356 [0,2,0,0,0,0|2,0,0]=4 7169 B13R1.90 CCc1ccccc1OCC(F)F 7a_100000210936_100011934356 [0,2,0,0,0,0|2,0,0]=4 7170 B13R1.90 CCc1ccccc1OC[C@@H](C)O 34a_100000210936_100009817552 [0,2,0,0,0,0|2,0,0]=4 7171 B13R1.90 CCc1ccccc1OC[C@@H](C)O 7a_100000210936_100009817552 [0,2,0,0,0,0|2,0,0]=4 7172 B13R1.90 CCc1ccccc1SCC(=O)N 62a_100000747473_100011215823 [0,2,0,0,0,0|1,0,1]=4 7173 B13R1.90 CCc1ccccc1SCC(=O)N 62a_100011215823_100000747473 [0,2,0,0,0,0|1,0,1]=4 7174 B13R1.90 CCc1ccccc1SCC(C)C 62a_100000210624_100011215823 [0,2,0,0,0,0|2,0,0]=4 7175 B13R1.90 CCc1ccccc1SCC(C)C 62a_100011215823_100000210760 [0,2,0,0,0,0|2,0,0]=4 7176 B13R1.90 CCc1ccccc1SCC(C)O 62a_100011215823_100011218427 [0,2,0,0,0,0|2,0,0]=4 7177 B13R1.90 CCc1ccccc1SCC(C)O 62a_100011218427_100011215823 [0,2,0,0,0,0|2,0,0]=4 7178 B13R1.90 CCc1ccccc1SCC(F)F 62a_100011215823_100011934356 [0,2,0,0,0,0|2,0,0]=4 7179 B13R1.90 CCc1ccccc1SCC(F)F 62a_100011934356_100011215823 [0,2,0,0,0,0|2,0,0]=4 7180 B13R1.90 CCc1ccccc1SC[C@@H](C)O 62a_100009817552_100011215823 [0,2,0,0,0,0|2,0,0]=4 7181 B13R1.90 CCc1ccccc1SC[C@@H](C)O 62a_100011215823_100009817552 [0,2,0,0,0,0|2,0,0]=4 7182 B13R1.90 CN(C)CCc1ccccc1C#N 2230a_100102631434_200013032965 [0,2,0,0,0,0|2,0,0]=4 7183 B13R1.90 CN(C)CCc1ccccc1C#N 269982a_100102631434_200013032965 [0,2,0,0,0,0|2,0,0]=4 7184 B13R1.90 CN(C)CCc1ccccc1C=O 2230a_100102631434_100010186698 [0,2,0,0,0,0|2,0,0]=4 7185 B13R1.90 CN(C)CCc1ccccc1C=O 269982a_100102631434_100010186698 [0,2,0,0,0,0|2,0,0]=4 7186 B13R1.90 CNc1ccccc1OCC(=O)N 34a_100000033821_100000187820 [0,2,0,0,0,0|1,0,1]=4 7187 B13R1.90 CNc1ccccc1OCC(C)C 34a_100000033821_100000210624 [0,2,0,0,0,0|2,0,0]=4 7188 B13R1.90 CNc1ccccc1OCC(C)C 34a_100000742603_200000210301 [0,2,0,0,0,0|2,0,0]=4 7189 B13R1.90 CNc1ccccc1OCC(C)O 34a_100000033821_100011218427 [0,2,0,0,0,0|2,0,0]=4 7190 B13R1.90 CNc1ccccc1OCC(F)F 2230a_100000688611_200000210301 [0,2,0,0,0,0|2,0,0]=4 7191 B13R1.90 CNc1ccccc1OCC(F)F 27a_100102657272_100000692002 [0,2,0,0,0,0|2,0,0]=4 7192 B13R1.90 CNc1ccccc1OCC(F)F 34a_100000033821_100011934356 [0,2,0,0,0,0|2,0,0]=4 7193 B13R1.90 CNc1ccccc1OCC(F)F 34a_100000688611_200000210301 [0,2,0,0,0,0|2,0,0]=4 7194 B13R1.90 CNc1ccccc1OC[C@@H](C)O 34a_100000033821_100009817552 [0,2,0,0,0,0|2,0,0]=4 7195 B13R1.90 CNc1ccccc1SCC(=O)N 62a_100000747473_100020606079 [0,2,0,0,0,0|1,0,1]=4 7196 B13R1.90 CNc1ccccc1SCC(=O)N 62a_100020606079_100000747473 [0,2,0,0,0,0|1,0,1]=4 7197 B13R1.90 CNc1ccccc1SCC(=O)N 7a_100000187061_200000210301 [0,2,0,0,0,0|1,0,1]=4 7198 B13R1.90 CNc1ccccc1SCC(C)C 62a_100000210624_100020606079 [0,2,0,0,0,0|2,0,0]=4 7199 B13R1.90 CNc1ccccc1SCC(C)C 62a_100020606079_100000210760 [0,2,0,0,0,0|2,0,0]=4 7200 B13R1.90 CNc1ccccc1SCC(C)O 62a_100011218427_100020606079 [0,2,0,0,0,0|2,0,0]=4 7201 B13R1.90 CNc1ccccc1SCC(C)O 62a_100020606079_100011218427 [0,2,0,0,0,0|2,0,0]=4 7202 B13R1.90 CNc1ccccc1SCC(F)F 62a_100011934356_100020606079 [0,2,0,0,0,0|2,0,0]=4 7203 B13R1.90 CNc1ccccc1SCC(F)F 62a_100020606079_100011934356 [0,2,0,0,0,0|2,0,0]=4 7204 B13R1.90 CNc1ccccc1SC[C@@H](C)O 62a_100009817552_100020606079 [0,2,0,0,0,0|2,0,0]=4 7205 B13R1.90 CNc1ccccc1SC[C@@H](C)O 62a_100020606079_100009817552 [0,2,0,0,0,0|2,0,0]=4 7206 B13R1.90 COc1ccccc1C=CC(C)C 271570a_100016257149_100000174000 [0,2,0,0,0,0|1,0,1]=4 7207 B13R1.90 COc1ccccc1C=CC(C)O 271570a_200011019289_100000174000 [0,2,0,0,0,0|1,0,1]=4 7208 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000070787_100011713687 [0,2,0,0,0,0|1,0,0]=3 7209 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000184355_200000210301 [0,2,0,0,0,0|1,0,0]=3 7210 B13R1.90 COc1ccccc1CCC(=O)N 34a_100011200845_200000210301 [0,2,0,0,0,0|0,0,0]=2 7211 B13R1.90 COc1ccccc1CCC(=O)N 7a_100011200845_200000210301 [0,2,0,0,0,0|0,0,0]=2 7212 B13R1.90 COc1ccccc1CCC(=O)[13CH3] 1458a_100000184355_200025704644 [0,2,0,0,0,0|1,0,0]=3 7213 B13R1.90 COc1ccccc1CCN(C)C 2230a_100000231131_200000210301 [0,2,0,0,0,0|0,0,0]=2 7214 B13R1.90 COc1ccccc1CCN(C)C 2230a_100102631434_100011713687 [0,2,0,0,0,0|0,0,0]=2 7215 B13R1.90 COc1ccccc1CCN(C)C 269982a_100000231131_200000210301 [0,2,0,0,0,0|0,0,0]=2 7216 B13R1.90 COc1ccccc1CCN(C)C 269982a_100102631434_100011713687 [0,2,0,0,0,0|0,0,0]=2 7217 B13R1.90 COc1ccccc1CCN(C)C 270004a_100102631434_100011713418 [0,2,0,0,0,0|0,0,0]=2 7218 B13R1.90 COc1ccccc1CCN(C)[13CH3] 2230a_100000231131_200025704644 [0,2,0,0,0,0|0,0,0]=2 7219 B13R1.90 COc1ccccc1CCN(C)[13CH3] 269982a_100000231131_200025704644 [0,2,0,0,0,0|0,0,0]=2 7220 B13R1.90 COc1ccccc1CNC(=O)C 11a_100000188900_100015343762 [0,2,0,0,0,0|1,0,1]=4 7221 B13R1.90 COc1ccccc1CNC(=O)C 1626a_100000188900_100015343762 [0,2,0,0,0,0|1,0,1]=4 7222 B13R1.90 COc1ccccc1CNC(=O)C 240690a_100000188900_100015343762 [0,2,0,0,0,0|1,0,1]=4 7223 B13R1.90 COc1ccccc1CNC(=O)C 34a_200011628774_200000210301 [0,2,0,0,0,0|1,0,1]=4 7224 B13R1.90 COc1ccccc1CNC(=O)C 527a_100000188900_100103153847 [0,2,0,0,0,0|1,0,1]=4 7225 B13R1.90 COc1ccccc1CNC(=O)C 7a_200011628774_200000210301 [0,2,0,0,0,0|1,0,1]=4 7226 B13R1.90 COc1ccccc1CNC(C)C 207a_100138425928_100000169842 [0,2,0,0,0,0|1,0,0]=3 7227 B13R1.90 COc1ccccc1CNC(C)C 2230a_100138425928_100000210004 [0,2,0,0,0,0|1,0,0]=3 7228 B13R1.90 COc1ccccc1CNC(C)C 34a_100000188900_100000210206 [0,2,0,0,0,0|1,0,0]=3 7229 B13R1.90 COc1ccccc1CNC(C)C 34a_100138425928_100000210004 [0,2,0,0,0,0|1,0,0]=3 7230 B13R1.90 COc1ccccc1COC(C)C 34a_100000211301_100000210206 [0,2,0,0,0,0|1,0,0]=3 7231 B13R1.90 COc1ccccc1COC(C)C 34a_100000212225_100000210004 [0,2,0,0,0,0|1,0,0]=3 7232 B13R1.90 COc1ccccc1CSC(C)C 62a_100000210004_100000210206 [0,2,0,0,0,0|1,0,0]=3 7233 B13R1.90 COc1ccccc1CSC(C)C 62a_100000210206_100000210004 [0,2,0,0,0,0|1,0,0]=3 7234 B13R1.90 COc1ccccc1NCC(=O)N 34a_100000210025_100000187820 [0,2,0,0,0,0|0,0,1]=3 7235 B13R1.90 COc1ccccc1NCC(=O)[O-] 34a_100000210025_100020667443 [0,2,0,0,0,0|1,0,1]=4 7236 B13R1.90 COc1ccccc1NCC(C)C 34a_100000210025_100000210624 [0,2,0,0,0,0|1,0,0]=3 7237 B13R1.90 COc1ccccc1NCC(C)O 34a_100000210025_100011218427 [0,2,0,0,0,0|1,0,0]=3 7238 B13R1.90 COc1ccccc1NCC(F)F 34a_100000210025_100011934356 [0,2,0,0,0,0|1,0,0]=3 7239 B13R1.90 COc1ccccc1NC[C@@H](C)O 34a_100000210025_100009817552 [0,2,0,0,0,0|1,0,0]=3 7240 B13R1.90 COc1ccccc1NC[N+](=O)[O-] 34a_100000210025_100000761209 [0,2,0,0,0,0|1,0,1]=4 7241 B13R1.90 COc1ccccc1OCC(=O)C 1458a_100000182946_200000210301 [0,2,0,0,0,0|1,0,1]=4 7242 B13R1.90 COc1ccccc1OCC(=O)N 34a_100000210385_100000187820 [0,2,0,0,0,0|0,0,1]=3 7243 B13R1.90 COc1ccccc1OCC(=O)N 7a_100000162348_200000210301 [0,2,0,0,0,0|0,0,1]=3 7244 B13R1.90 COc1ccccc1OCC(=O)[13CH3] 1458a_100000182946_200025704644 [0,2,0,0,0,0|1,0,1]=4 7245 B13R1.90 COc1ccccc1OCC(=O)[O-] 34a_100000210385_100020667443 [0,2,0,0,0,0|1,0,1]=4 7246 B13R1.90 COc1ccccc1OCC(C)C 34a_100000210385_100000210624 [0,2,0,0,0,0|1,0,0]=3 7247 B13R1.90 COc1ccccc1OCC(C)O 34a_100000210385_100011218427 [0,2,0,0,0,0|1,0,0]=3 7248 B13R1.90 COc1ccccc1OCC(F)F 34a_100000210385_100011934356 [0,2,0,0,0,0|1,0,0]=3 7249 B13R1.90 COc1ccccc1OC[C@@H](C)O 34a_100000210385_100009817552 [0,2,0,0,0,0|1,0,0]=3 7250 B13R1.90 COc1ccccc1OC[N+](=O)[O-] 34a_100000210385_100000761209 [0,2,0,0,0,0|1,0,1]=4 7251 B13R1.90 COc1ccccc1SCC(=O)N 62a_100000210334_100000747473 [0,2,0,0,0,0|0,0,1]=3 7252 B13R1.90 COc1ccccc1SCC(=O)N 62a_100000747473_100000210334 [0,2,0,0,0,0|0,0,1]=3 7253 B13R1.90 COc1ccccc1SCC(=O)[O-] 62a_100000210334_100020667443 [0,2,0,0,0,0|1,0,1]=4 7254 B13R1.90 COc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210334 [0,2,0,0,0,0|1,0,1]=4 7255 B13R1.90 COc1ccccc1SCC(C)C 62a_100000210334_100000210760 [0,2,0,0,0,0|1,0,0]=3 7256 B13R1.90 COc1ccccc1SCC(C)C 62a_100000210624_100000210334 [0,2,0,0,0,0|1,0,0]=3 7257 B13R1.90 COc1ccccc1SCC(C)O 62a_100000210334_100011218427 [0,2,0,0,0,0|1,0,0]=3 7258 B13R1.90 COc1ccccc1SCC(C)O 62a_100011218427_100000210334 [0,2,0,0,0,0|1,0,0]=3 7259 B13R1.90 COc1ccccc1SCC(F)F 62a_100000210334_100011934356 [0,2,0,0,0,0|1,0,0]=3 7260 B13R1.90 COc1ccccc1SCC(F)F 62a_100011934356_100000210334 [0,2,0,0,0,0|1,0,0]=3 7261 B13R1.90 COc1ccccc1SC[C@@H](C)O 62a_100000210334_100009817552 [0,2,0,0,0,0|1,0,0]=3 7262 B13R1.90 COc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210334 [0,2,0,0,0,0|1,0,0]=3 7263 B13R1.90 COc1ccccc1SC[N+](=O)[O-] 62a_100000210334_100000761209 [0,2,0,0,0,0|1,0,1]=4 7264 B13R1.90 COc1cccnc1CNC(C)C 207a_100138425928_100011912573 [0,2,0,0,0,0|2,0,0]=4 7265 B13R1.90 COc1cccnc1COC(C)C 34a_100011998681_100000210206 [0,2,0,0,0,0|2,0,0]=4 7266 B13R1.90 COc1cccnc1OCC(=O)N 34a_100025773188_100000187820 [0,2,0,0,0,0|1,0,1]=4 7267 B13R1.90 COc1cccnc1OCC(C)C 34a_100025773188_100000210624 [0,2,0,0,0,0|2,0,0]=4 7268 B13R1.90 COc1cccnc1OCC(C)O 34a_100025773188_100011218427 [0,2,0,0,0,0|2,0,0]=4 7269 B13R1.90 COc1cccnc1OCC(F)F 34a_100025773188_100011934356 [0,2,0,0,0,0|2,0,0]=4 7270 B13R1.90 COc1cccnc1OC[C@@H](C)O 34a_100025773188_100009817552 [0,2,0,0,0,0|2,0,0]=4 7271 B13R1.90 COc1cccnc1SCC(=O)N 62a_100000747473_100000690851 [0,2,0,0,0,0|1,0,1]=4 7272 B13R1.90 COc1cccnc1SCC(=O)N 62a_100000767102_100000747473 [0,2,0,0,0,0|1,0,1]=4 7273 B13R1.90 COc1cccnc1SCC(C)C 62a_100000210624_100000690851 [0,2,0,0,0,0|2,0,0]=4 7274 B13R1.90 COc1cccnc1SCC(C)C 62a_100000767102_100000210760 [0,2,0,0,0,0|2,0,0]=4 7275 B13R1.90 COc1cccnc1SCC(C)O 62a_100000767102_100011218427 [0,2,0,0,0,0|2,0,0]=4 7276 B13R1.90 COc1cccnc1SCC(C)O 62a_100011218427_100000690851 [0,2,0,0,0,0|2,0,0]=4 7277 B13R1.90 COc1cccnc1SCC(F)F 62a_100000767102_100011934356 [0,2,0,0,0,0|2,0,0]=4 7278 B13R1.90 COc1cccnc1SCC(F)F 62a_100011934356_100000690851 [0,2,0,0,0,0|2,0,0]=4 7279 B13R1.90 COc1cccnc1SC[C@@H](C)O 62a_100000767102_100009817552 [0,2,0,0,0,0|2,0,0]=4 7280 B13R1.90 COc1cccnc1SC[C@@H](C)O 62a_100009817552_100000690851 [0,2,0,0,0,0|2,0,0]=4 7281 B13R1.90 COc1ccncc1CNC(C)C 207a_100138425928_200011997045 [0,2,0,0,0,0|2,0,0]=4 7282 B13R1.90 COc1ccncc1OCC(=O)N 34a_100000101186_100000187820 [0,2,0,0,0,0|1,0,1]=4 7283 B13R1.90 COc1ccncc1OCC(C)C 34a_100000101186_100000210624 [0,2,0,0,0,0|2,0,0]=4 7284 B13R1.90 COc1ccncc1OCC(C)O 34a_100000101186_100011218427 [0,2,0,0,0,0|2,0,0]=4 7285 B13R1.90 COc1ccncc1OCC(F)F 34a_100000101186_100011934356 [0,2,0,0,0,0|2,0,0]=4 7286 B13R1.90 COc1ccncc1OC[C@@H](C)O 34a_100000101186_100009817552 [0,2,0,0,0,0|2,0,0]=4 7287 B13R1.90 COc1ccncc1SCC(=O)N 62a_100000747473_100011997281 [0,2,0,0,0,0|1,0,1]=4 7288 B13R1.90 COc1ccncc1SCC(=O)N 62a_100011997281_100000747473 [0,2,0,0,0,0|1,0,1]=4 7289 B13R1.90 COc1ccncc1SCC(C)C 62a_100000210624_100011997281 [0,2,0,0,0,0|2,0,0]=4 7290 B13R1.90 COc1ccncc1SCC(C)C 62a_100011997281_100000210760 [0,2,0,0,0,0|2,0,0]=4 7291 B13R1.90 COc1ccncc1SCC(C)O 62a_100011218427_100011997281 [0,2,0,0,0,0|2,0,0]=4 7292 B13R1.90 COc1ccncc1SCC(C)O 62a_100011997281_100011218427 [0,2,0,0,0,0|2,0,0]=4 7293 B13R1.90 COc1ccncc1SCC(F)F 62a_100011934356_100011997281 [0,2,0,0,0,0|2,0,0]=4 7294 B13R1.90 COc1ccncc1SCC(F)F 62a_100011997281_100011934356 [0,2,0,0,0,0|2,0,0]=4 7295 B13R1.90 COc1ccncc1SC[C@@H](C)O 62a_100009817552_100011997281 [0,2,0,0,0,0|2,0,0]=4 7296 B13R1.90 COc1ccncc1SC[C@@H](C)O 62a_100011997281_100009817552 [0,2,0,0,0,0|2,0,0]=4 7297 B13R1.90 COc1cnccc1CNC(C)C 207a_100138425928_100011361505 [0,2,0,0,0,0|2,0,0]=4 7298 B13R1.90 COc1cnccc1CNC(C)C 2230a_100138425928_100020635607 [0,2,0,0,0,0|2,0,0]=4 7299 B13R1.90 COc1cnccc1CSC(C)C 62a_100000210206_100020635607 [0,2,0,0,0,0|2,0,0]=4 7300 B13R1.90 COc1cnccc1CSC(C)C 62a_100020635607_100000210206 [0,2,0,0,0,0|2,0,0]=4 7301 B13R1.90 COc1cnccc1SCC(=O)N 62a_100000747473_100016988167 [0,2,0,0,0,0|1,0,1]=4 7302 B13R1.90 COc1cnccc1SCC(=O)N 62a_100016988167_100000747473 [0,2,0,0,0,0|1,0,1]=4 7303 B13R1.90 COc1cnccc1SCC(C)C 62a_100000210624_100016988167 [0,2,0,0,0,0|2,0,0]=4 7304 B13R1.90 COc1cnccc1SCC(C)C 62a_100016988167_100000210760 [0,2,0,0,0,0|2,0,0]=4 7305 B13R1.90 COc1cnccc1SCC(C)O 62a_100011218427_100016988167 [0,2,0,0,0,0|2,0,0]=4 7306 B13R1.90 COc1cnccc1SCC(C)O 62a_100016988167_100011218427 [0,2,0,0,0,0|2,0,0]=4 7307 B13R1.90 COc1cnccc1SCC(F)F 62a_100011934356_100016988167 [0,2,0,0,0,0|2,0,0]=4 7308 B13R1.90 COc1cnccc1SCC(F)F 62a_100016988167_100011934356 [0,2,0,0,0,0|2,0,0]=4 7309 B13R1.90 COc1cnccc1SC[C@@H](C)O 62a_100009817552_100016988167 [0,2,0,0,0,0|2,0,0]=4 7310 B13R1.90 COc1cnccc1SC[C@@H](C)O 62a_100016988167_100009817552 [0,2,0,0,0,0|2,0,0]=4 7311 B13R1.90 COc1ncccc1CNC(C)C 207a_100138425928_100011290804 [0,2,0,0,0,0|2,0,0]=4 7312 B13R1.90 COc1ncccc1CNC(C)C 2230a_100138425928_100020631285 [0,2,0,0,0,0|2,0,0]=4 7313 B13R1.90 COc1ncccc1CNC(C)C 34a_100138425928_100020631285 [0,2,0,0,0,0|2,0,0]=4 7314 B13R1.90 COc1ncccc1COC(C)C 34a_100000212225_100020631285 [0,2,0,0,0,0|2,0,0]=4 7315 B13R1.90 COc1ncccc1COC(C)C 34a_100000717863_100000210206 [0,2,0,0,0,0|2,0,0]=4 7316 B13R1.90 COc1ncccc1CSC(C)C 62a_100000210206_100020631285 [0,2,0,0,0,0|2,0,0]=4 7317 B13R1.90 COc1ncccc1CSC(C)C 62a_100020631285_100000210206 [0,2,0,0,0,0|2,0,0]=4 7318 B13R1.90 COc1ncccc1OCC(=O)N 34a_100000698397_100000187820 [0,2,0,0,0,0|1,0,1]=4 7319 B13R1.90 COc1ncccc1OCC(=O)N 7a_100000698397_100000187820 [0,2,0,0,0,0|1,0,1]=4 7320 B13R1.90 COc1ncccc1OCC(C)C 34a_100000698397_100000210624 [0,2,0,0,0,0|2,0,0]=4 7321 B13R1.90 COc1ncccc1OCC(C)C 7a_100000698397_100000210760 [0,2,0,0,0,0|2,0,0]=4 7322 B13R1.90 COc1ncccc1OCC(C)O 34a_100000698397_100011218427 [0,2,0,0,0,0|2,0,0]=4 7323 B13R1.90 COc1ncccc1OCC(C)O 7a_100000698397_100011218427 [0,2,0,0,0,0|2,0,0]=4 7324 B13R1.90 COc1ncccc1OCC(F)F 34a_100000698397_100011934356 [0,2,0,0,0,0|2,0,0]=4 7325 B13R1.90 COc1ncccc1OCC(F)F 7a_100000698397_100011934356 [0,2,0,0,0,0|2,0,0]=4 7326 B13R1.90 COc1ncccc1OC[C@@H](C)O 34a_100000698397_100009817552 [0,2,0,0,0,0|2,0,0]=4 7327 B13R1.90 COc1ncccc1OC[C@@H](C)O 7a_100000698397_100009817552 [0,2,0,0,0,0|2,0,0]=4 7328 B13R1.90 COc1ncccc1SCC(=O)N 62a_100000047025_100000747473 [0,2,0,0,0,0|1,0,1]=4 7329 B13R1.90 COc1ncccc1SCC(=O)N 62a_100000747473_100000047025 [0,2,0,0,0,0|1,0,1]=4 7330 B13R1.90 COc1ncccc1SCC(C)C 62a_100000047025_100000210760 [0,2,0,0,0,0|2,0,0]=4 7331 B13R1.90 COc1ncccc1SCC(C)C 62a_100000210624_100000047025 [0,2,0,0,0,0|2,0,0]=4 7332 B13R1.90 COc1ncccc1SCC(C)O 62a_100000047025_100011218427 [0,2,0,0,0,0|2,0,0]=4 7333 B13R1.90 COc1ncccc1SCC(C)O 62a_100011218427_100000047025 [0,2,0,0,0,0|2,0,0]=4 7334 B13R1.90 COc1ncccc1SCC(F)F 62a_100000047025_100011934356 [0,2,0,0,0,0|2,0,0]=4 7335 B13R1.90 COc1ncccc1SCC(F)F 62a_100011934356_100000047025 [0,2,0,0,0,0|2,0,0]=4 7336 B13R1.90 COc1ncccc1SC[C@@H](C)O 62a_100000047025_100009817552 [0,2,0,0,0,0|2,0,0]=4 7337 B13R1.90 COc1ncccc1SC[C@@H](C)O 62a_100009817552_100000047025 [0,2,0,0,0,0|2,0,0]=4 7338 B13R1.90 CSc1ccccc1CCC(=O)N 62a_100009814947_200000210301 [0,2,0,0,0,0|0,1,0]=3 7339 B13R1.90 CSc1ccccc1CCC(=O)N 62a_200000210301_100009814947 [0,2,0,0,0,0|0,1,0]=3 7340 B13R1.90 CSc1ccccc1CNC(C)C 207a_100138425928_100011217347 [0,2,0,0,0,0|1,1,0]=4 7341 B13R1.90 CSc1ccccc1CNC(C)C 2230a_100138425928_100000699184 [0,2,0,0,0,0|1,1,0]=4 7342 B13R1.90 CSc1ccccc1CNC(C)C 34a_100138425928_100000699184 [0,2,0,0,0,0|1,1,0]=4 7343 B13R1.90 CSc1ccccc1CNC(C)C 34a_102495365025_100000210206 [0,2,0,0,0,0|1,1,0]=4 7344 B13R1.90 CSc1ccccc1CNC(C)C 62a_100000195800_200000210301 [0,2,0,0,0,0|1,1,0]=4 7345 B13R1.90 CSc1ccccc1CNC(C)C 62a_200000210301_100000195800 [0,2,0,0,0,0|1,1,0]=4 7346 B13R1.90 CSc1ccccc1COC(C)C 34a_100000212225_100000699184 [0,2,0,0,0,0|1,1,0]=4 7347 B13R1.90 CSc1ccccc1COC(C)C 34a_100000699167_100000210206 [0,2,0,0,0,0|1,1,0]=4 7348 B13R1.90 CSc1ccccc1CSC(C)C 62a_100000210206_100000699184 [0,2,0,0,0,0|1,1,0]=4 7349 B13R1.90 CSc1ccccc1CSC(C)C 62a_100000699184_100000210206 [0,2,0,0,0,0|1,1,0]=4 7350 B13R1.90 CSc1ccccc1CSC(C)C 62a_200000173093_200000210301 [0,2,0,0,0,0|1,1,0]=4 7351 B13R1.90 CSc1ccccc1CSC(C)C 62a_200000210301_200000173093 [0,2,0,0,0,0|1,1,0]=4 7352 B13R1.90 CSc1ccccc1NCC(=O)N 34a_100000211160_100000187820 [0,2,0,0,0,0|0,1,1]=4 7353 B13R1.90 CSc1ccccc1NCC(C)C 34a_100000211160_100000210624 [0,2,0,0,0,0|1,1,0]=4 7354 B13R1.90 CSc1ccccc1NCC(C)O 34a_100000211160_100011218427 [0,2,0,0,0,0|1,1,0]=4 7355 B13R1.90 CSc1ccccc1NCC(F)F 34a_100000211160_100011934356 [0,2,0,0,0,0|1,1,0]=4 7356 B13R1.90 CSc1ccccc1NC[C@@H](C)O 34a_100000211160_100009817552 [0,2,0,0,0,0|1,1,0]=4 7357 B13R1.90 CSc1ccccc1OCC(=O)N 34a_100011216402_100000187820 [0,2,0,0,0,0|0,1,1]=4 7358 B13R1.90 CSc1ccccc1OCC(=O)N 62a_200000148491_200000210301 [0,2,0,0,0,0|0,1,1]=4 7359 B13R1.90 CSc1ccccc1OCC(C)C 34a_100011216402_100000210624 [0,2,0,0,0,0|1,1,0]=4 7360 B13R1.90 CSc1ccccc1OCC(C)O 34a_100011216402_100011218427 [0,2,0,0,0,0|1,1,0]=4 7361 B13R1.90 CSc1ccccc1OCC(F)F 34a_100011216402_100011934356 [0,2,0,0,0,0|1,1,0]=4 7362 B13R1.90 CSc1ccccc1OCC(F)F 62a_100000692002_200000210301 [0,2,0,0,0,0|1,1,0]=4 7363 B13R1.90 CSc1ccccc1OCC(F)F 62a_200000210301_100000692002 [0,2,0,0,0,0|1,1,0]=4 7364 B13R1.90 CSc1ccccc1OC[C@@H](C)O 34a_100011216402_100009817552 [0,2,0,0,0,0|1,1,0]=4 7365 B13R1.90 CSc1ccccc1SCC(=O)N 62a_100000747473_100011217816 [0,2,0,0,0,0|0,1,1]=4 7366 B13R1.90 CSc1ccccc1SCC(=O)N 62a_100011217816_100000747473 [0,2,0,0,0,0|0,1,1]=4 7367 B13R1.90 CSc1ccccc1SCC(C)C 62a_100000210624_100011217816 [0,2,0,0,0,0|1,1,0]=4 7368 B13R1.90 CSc1ccccc1SCC(C)C 62a_100011217816_100000210760 [0,2,0,0,0,0|1,1,0]=4 7369 B13R1.90 CSc1ccccc1SCC(C)O 62a_100011217816_100011218427 [0,2,0,0,0,0|1,1,0]=4 7370 B13R1.90 CSc1ccccc1SCC(C)O 62a_100011218427_100011217816 [0,2,0,0,0,0|1,1,0]=4 7371 B13R1.90 CSc1ccccc1SCC(F)F 62a_100011217816_100011934356 [0,2,0,0,0,0|1,1,0]=4 7372 B13R1.90 CSc1ccccc1SCC(F)F 62a_100011934356_100011217816 [0,2,0,0,0,0|1,1,0]=4 7373 B13R1.90 CSc1ccccc1SC[C@@H](C)O 62a_100009817552_100011217816 [0,2,0,0,0,0|1,1,0]=4 7374 B13R1.90 CSc1ccccc1SC[C@@H](C)O 62a_100011217816_100009817552 [0,2,0,0,0,0|1,1,0]=4 7375 B13R1.90 [13CH3]Nc1ccccc1OCC(F)F 2230a_100000688611_200025704644 [0,2,0,0,0,0|2,0,0]=4 7376 B13R1.90 [13CH3]Nc1ccccc1OCC(F)F 34a_100000688611_200025704644 [0,2,0,0,0,0|2,0,0]=4 7377 B13R1.90 [13CH3]Nc1ccccc1SCC(=O)N 7a_100000187061_200025704644 [0,2,0,0,0,0|1,0,1]=4 7378 B13R1.90 [13CH3]Oc1ccccc1CCC(=O)N 34a_100011200845_200025704644 [0,2,0,0,0,0|0,0,0]=2 7379 B13R1.90 [13CH3]Oc1ccccc1CCC(=O)N 7a_100011200845_200025704644 [0,2,0,0,0,0|0,0,0]=2 7380 B13R1.90 [13CH3]Oc1ccccc1OCC(=O)N 7a_100000162348_200025704644 [0,2,0,0,0,0|0,0,1]=3 7381 B13R1.90 [13CH3]Sc1ccccc1CCC(=O)N 62a_100009814947_200025704644 [0,2,0,0,0,0|0,1,0]=3 7382 B13R1.90 [13CH3]Sc1ccccc1CCC(=O)N 62a_200025704644_100009814947 [0,2,0,0,0,0|0,1,0]=3 7383 B13R1.90 [13CH3]Sc1ccccc1OCC(=O)N 62a_200000148491_200025704644 [0,2,0,0,0,0|0,1,1]=4 7384 B13R1.90 [13CH3]Sc1ccccc1OCC(F)F 62a_100000692002_200025704644 [0,2,0,0,0,0|1,1,0]=4 7385 B13R1.90 [13CH3]Sc1ccccc1OCC(F)F 62a_200025704644_100000692002 [0,2,0,0,0,0|1,1,0]=4 7386 B13R1.485 C#CCNc1ccccc1CCC 2230a_100000737634_100000038162 [0,2,0,0,0,0|2,0,0]=4 7387 B13R1.485 C#CCNc1ccccc1CCC 34a_100000737634_100000184674 [0,2,0,0,0,0|2,0,0]=4 7388 B13R1.485 C#CCNc1ccccc1CCC 7a_100000737634_100000038162 [0,2,0,0,0,0|2,0,0]=4 7389 B13R1.485 C#CCNc1ccccc1CCO 2230a_100011215289_100000038162 [0,2,0,0,0,0|2,0,0]=4 7390 B13R1.485 C#CCNc1ccccc1CCO 34a_100011215289_100000184674 [0,2,0,0,0,0|2,0,0]=4 7391 B13R1.485 C#CCNc1ccccc1OCC 34a_100000211218_100000184674 [0,2,0,0,0,0|1,0,1]=4 7392 B13R1.485 C#CCOc1ccccc1CC#N 34a_100000043107_100000184674 [0,2,0,0,0,0|0,0,2]=4 7393 B13R1.485 C#CCOc1ccccc1CC#N 7a_100000043107_100000038162 [0,2,0,0,0,0|0,0,2]=4 7394 B13R1.485 C#CCOc1ccccc1CC=C 34a_100000211836_100000184674 [0,2,0,0,0,0|1,0,1]=4 7395 B13R1.485 C#CCOc1ccccc1CC=C 7a_100000211836_100000038162 [0,2,0,0,0,0|1,0,1]=4 7396 B13R1.485 C#CCOc1ccccc1CCBr 34a_100000722297_100000184674 [0,2,0,0,0,0|1,0,0]=3 7397 B13R1.485 C#CCOc1ccccc1CCBr 7a_100000722297_100000038162 [0,2,0,0,0,0|1,0,0]=3 7398 B13R1.485 C#CCOc1ccccc1CCC 34a_100011217252_100000184674 [0,2,0,0,0,0|1,0,0]=3 7399 B13R1.485 C#CCOc1ccccc1CCC 7a_100011217252_100000038162 [0,2,0,0,0,0|1,0,0]=3 7400 B13R1.485 C#CCOc1ccccc1CCN 34a_100011207237_100000184674 [0,2,0,0,0,0|0,0,0]=2 7401 B13R1.485 C#CCOc1ccccc1CCO 34a_100000719421_100000184674 [0,2,0,0,0,0|1,0,0]=3 7402 B13R1.485 C#CCOc1ccccc1CCO 7a_100000719421_100000038162 [0,2,0,0,0,0|1,0,0]=3 7403 B13R1.485 C#CCOc1ccccc1CNC 207a_100102657272_100000172625 [0,2,0,0,0,0|2,0,0]=4 7404 B13R1.485 C#CCOc1ccccc1CNC 34a_100015189988_100000184674 [0,2,0,0,0,0|2,0,0]=4 7405 B13R1.485 C#CCOc1ccccc1COC 34a_100011488565_100000184674 [0,2,0,0,0,0|1,0,1]=4 7406 B13R1.485 C#CCOc1ccccc1COC 7a_100011488565_100000038162 [0,2,0,0,0,0|1,0,1]=4 7407 B13R1.485 C#CCOc1ccccc1NCC 34a_100000707309_100000210202 [0,2,0,0,0,0|2,0,0]=4 7408 B13R1.485 C#CCOc1ccccc1NCC 34a_103624766699_100000184674 [0,2,0,0,0,0|2,0,0]=4 7409 B13R1.485 C#CCOc1ccccc1NCC 7a_103624766699_100000038162 [0,2,0,0,0,0|2,0,0]=4 7410 B13R1.485 C#CCOc1ccccc1NCF 34a_100000707309_100015361967 [0,2,0,0,0,0|2,0,0]=4 7411 B13R1.485 C#CCOc1ccccc1OCC 34a_100000211404_100000184674 [0,2,0,0,0,0|1,0,1]=4 7412 B13R1.485 C#CCOc1ccccc1OCC 7a_100000211404_100000038162 [0,2,0,0,0,0|1,0,1]=4 7413 B13R1.485 C#CCSc1ccccc1CCN 62a_100000038162_100000747383 [0,2,0,0,0,0|0,1,0]=3 7414 B13R1.485 C#CCSc1ccccc1CCO 62a_100000038162_100000731337 [0,2,0,0,0,0|1,1,0]=4 7415 B13R1.485 C#CCSc1ccccc1CNN 62a_100000038162_200016993956 [0,2,0,0,0,0|1,1,0]=4 7416 B13R1.485 C#CCSc1ccccc1COC 62a_100000038162_100011493684 [0,2,0,0,0,0|1,0,1]=4 7417 B13R1.485 C#CCSc1ccccc1OCC 62a_100000038162_100000230754 [0,2,0,0,0,0|1,0,1]=4 7418 B13R1.485 C/C=C/c1ccccc1OCCC 34a_200000189419_100000210303 [0,2,0,0,0,0|2,0,0]=4 7419 B13R1.485 C/C=C/c1ccccc1OCCC 7a_200000189419_100000210303 [0,2,0,0,0,0|2,0,0]=4 7420 B13R1.485 C/C=C/c1ccccc1OCCF 34a_200000189419_100011217306 [0,2,0,0,0,0|2,0,0]=4 7421 B13R1.485 C/C=C/c1ccccc1OCCF 7a_200000189419_100011217306 [0,2,0,0,0,0|2,0,0]=4 7422 B13R1.485 C/C=C/c1ccccc1OCCO 34a_200000189419_100000211926 [0,2,0,0,0,0|2,0,0]=4 7423 B13R1.485 C/C=C/c1ccccc1OCCO 7a_200000189419_100000211926 [0,2,0,0,0,0|2,0,0]=4 7424 B13R1.485 C=C=Cc1ccccc1OCCN 271570a_100015277604_100000744007 [0,2,0,0,0,0|1,0,1]=4 7425 B13R1.485 C=CCNc1ccccc1CCC 2230a_100000737634_100000210623 [0,2,0,0,0,0|2,0,0]=4 7426 B13R1.485 C=CCNc1ccccc1CCC 34a_100000737634_100015514636 [0,2,0,0,0,0|2,0,0]=4 7427 B13R1.485 C=CCNc1ccccc1CCC 7a_100000737634_100015514636 [0,2,0,0,0,0|2,0,0]=4 7428 B13R1.485 C=CCNc1ccccc1CCO 2230a_100011215289_100000210623 [0,2,0,0,0,0|2,0,0]=4 7429 B13R1.485 C=CCNc1ccccc1CCO 34a_100011215289_100015514636 [0,2,0,0,0,0|2,0,0]=4 7430 B13R1.485 C=CCNc1ccccc1OCC 34a_100000211218_100015514636 [0,2,0,0,0,0|1,0,1]=4 7431 B13R1.485 C=CCOc1ccccc1CC#N 34a_100000043107_100015514636 [0,2,0,0,0,0|0,0,2]=4 7432 B13R1.485 C=CCOc1ccccc1CC#N 7a_100000043107_100015514636 [0,2,0,0,0,0|0,0,2]=4 7433 B13R1.485 C=CCOc1ccccc1CC=C 34a_100000211836_100015514636 [0,2,0,0,0,0|1,0,1]=4 7434 B13R1.485 C=CCOc1ccccc1CC=C 7a_100000211836_100015514636 [0,2,0,0,0,0|1,0,1]=4 7435 B13R1.485 C=CCOc1ccccc1CCBr 34a_100000722297_100015514636 [0,2,0,0,0,0|1,0,0]=3 7436 B13R1.485 C=CCOc1ccccc1CCBr 7a_100000722297_100015514636 [0,2,0,0,0,0|1,0,0]=3 7437 B13R1.485 C=CCOc1ccccc1CCC 34a_100011217252_100015514636 [0,2,0,0,0,0|1,0,0]=3 7438 B13R1.485 C=CCOc1ccccc1CCC 7a_100011217252_100015514636 [0,2,0,0,0,0|1,0,0]=3 7439 B13R1.485 C=CCOc1ccccc1CCN 34a_100011207237_100015514636 [0,2,0,0,0,0|0,0,0]=2 7440 B13R1.485 C=CCOc1ccccc1CCO 34a_100000719421_100015514636 [0,2,0,0,0,0|1,0,0]=3 7441 B13R1.485 C=CCOc1ccccc1CCO 7a_100000719421_100015514636 [0,2,0,0,0,0|1,0,0]=3 7442 B13R1.485 C=CCOc1ccccc1CNC 207a_100102657272_100000172050 [0,2,0,0,0,0|2,0,0]=4 7443 B13R1.485 C=CCOc1ccccc1CNC 270004a_106832991635_100000172050 [0,2,0,0,0,0|2,0,0]=4 7444 B13R1.485 C=CCOc1ccccc1CNC 34a_100015189988_100015514636 [0,2,0,0,0,0|2,0,0]=4 7445 B13R1.485 C=CCOc1ccccc1COC 34a_100000246290_200000210301 [0,2,0,0,0,0|1,0,1]=4 7446 B13R1.485 C=CCOc1ccccc1COC 34a_100011488565_100015514636 [0,2,0,0,0,0|1,0,1]=4 7447 B13R1.485 C=CCOc1ccccc1COC 7a_100000246290_200000210301 [0,2,0,0,0,0|1,0,1]=4 7448 B13R1.485 C=CCOc1ccccc1COC 7a_100011488565_100015514636 [0,2,0,0,0,0|1,0,1]=4 7449 B13R1.485 C=CCOc1ccccc1CO[13CH3] 34a_100000246290_200025704644 [0,2,0,0,0,0|1,0,1]=4 7450 B13R1.485 C=CCOc1ccccc1CO[13CH3] 7a_100000246290_200025704644 [0,2,0,0,0,0|1,0,1]=4 7451 B13R1.485 C=CCOc1ccccc1NCC 34a_103624766699_100015514636 [0,2,0,0,0,0|2,0,0]=4 7452 B13R1.485 C=CCOc1ccccc1NCC 7a_103624766699_100015514636 [0,2,0,0,0,0|2,0,0]=4 7453 B13R1.485 C=CCOc1ccccc1OCC 34a_100000211404_100015514636 [0,2,0,0,0,0|1,0,1]=4 7454 B13R1.485 C=CCOc1ccccc1OCC 34a_200011262142_100000210202 [0,2,0,0,0,0|1,0,1]=4 7455 B13R1.485 C=CCOc1ccccc1OCC 7a_100000211404_100015514636 [0,2,0,0,0,0|1,0,1]=4 7456 B13R1.485 C=CCOc1ccccc1OCC 7a_200011262142_100000210202 [0,2,0,0,0,0|1,0,1]=4 7457 B13R1.485 C=CCOc1ccccc1OCF 34a_200011262142_100015361967 [0,2,0,0,0,0|1,0,1]=4 7458 B13R1.485 C=CCOc1ccccc1OCF 7a_200011262142_100015361967 [0,2,0,0,0,0|1,0,1]=4 7459 B13R1.485 C=CCSc1ccccc1CCN 62a_100000210623_100000747383 [0,2,0,0,0,0|0,1,0]=3 7460 B13R1.485 C=CCSc1ccccc1CCN 62a_100000747383_100000210623 [0,2,0,0,0,0|0,1,0]=3 7461 B13R1.485 C=CCSc1ccccc1CCO 62a_100000210623_100000731337 [0,2,0,0,0,0|1,1,0]=4 7462 B13R1.485 C=CCSc1ccccc1CCO 62a_100000731337_100000210623 [0,2,0,0,0,0|1,1,0]=4 7463 B13R1.485 C=CCSc1ccccc1CNN 62a_100000210623_200016993956 [0,2,0,0,0,0|1,1,0]=4 7464 B13R1.485 C=CCSc1ccccc1CNN 62a_200016993956_100000210623 [0,2,0,0,0,0|1,1,0]=4 7465 B13R1.485 C=CCSc1ccccc1COC 62a_100000210623_100011493684 [0,2,0,0,0,0|1,0,1]=4 7466 B13R1.485 C=CCSc1ccccc1COC 62a_100011493684_100000210623 [0,2,0,0,0,0|1,0,1]=4 7467 B13R1.485 C=CCSc1ccccc1OCC 62a_100000210623_100000230754 [0,2,0,0,0,0|1,0,1]=4 7468 B13R1.485 C=CCSc1ccccc1OCC 62a_100000230754_100000210623 [0,2,0,0,0,0|1,0,1]=4 7469 B13R1.485 C=CCc1ccccc1NCOC 2230a_200138433279_100000766300 [0,2,0,0,0,0|1,0,1]=4 7470 B13R1.485 C=CCc1ccccc1OCC#N 7a_100000211836_100011215382 [0,2,0,0,0,0|1,0,1]=4 7471 B13R1.485 C=CCc1ccccc1OCC=O 34a_100000211836_200009817547 [0,2,0,0,0,0|1,0,1]=4 7472 B13R1.485 C=CCc1ccccc1OCC=O 7a_100000211836_200015260668 [0,2,0,0,0,0|1,0,1]=4 7473 B13R1.485 C=CCc1ccccc1OCCC 34a_100000211836_100000210303 [0,2,0,0,0,0|1,0,1]=4 7474 B13R1.485 C=CCc1ccccc1OCCC 7a_100000211836_100000210303 [0,2,0,0,0,0|1,0,1]=4 7475 B13R1.485 C=CCc1ccccc1OCCF 34a_100000211836_100011217306 [0,2,0,0,0,0|1,0,1]=4 7476 B13R1.485 C=CCc1ccccc1OCCF 7a_100000211836_100011217306 [0,2,0,0,0,0|1,0,1]=4 7477 B13R1.485 C=CCc1ccccc1OCCO 34a_100000211836_100000211926 [0,2,0,0,0,0|1,0,1]=4 7478 B13R1.485 C=CCc1ccccc1OCCO 7a_100000211836_100000211926 [0,2,0,0,0,0|1,0,1]=4 7479 B13R1.485 C=CCc1ccccc1OCSC 34a_100000211836_100011218213 [0,2,0,0,0,0|1,0,1]=4 7480 B13R1.485 C=CCc1ccccc1SCOC 62a_100000766300_100009828059 [0,2,0,0,0,0|1,0,1]=4 7481 B13R1.485 C=CCc1ccccc1SCOC 62a_100009828059_100000766300 [0,2,0,0,0,0|1,0,1]=4 7482 B13R1.485 CC=Cc1ccccc1CCC=O 271570a_100016259895_100011713448 [0,2,0,0,0,0|2,0,0]=4 7483 B13R1.485 CC=Cc1ccccc1CCCO 271570a_100016259895_100000699526 [0,2,0,0,0,0|2,0,0]=4 7484 B13R1.485 CC=Cc1ccccc1COCC 271570a_100016259895_200011493690 [0,2,0,0,0,0|2,0,0]=4 7485 B13R1.485 CC=Cc1ccccc1CSCC 271570a_100016259895_200000173030 [0,2,0,0,0,0|2,0,0]=4 7486 B13R1.485 CC=Cc1ccccc1OCCC 271570a_100016259895_100000174042 [0,2,0,0,0,0|2,0,0]=4 7487 B13R1.485 CC=Cc1ccccc1OCCN 271570a_100016259895_100000744007 [0,2,0,0,0,0|1,0,0]=3 7488 B13R1.485 CC=Cc1ccccc1OCCO 271570a_100016259895_100000230753 [0,2,0,0,0,0|2,0,0]=4 7489 B13R1.485 CC=Cc1ccccc1SCCO 271570a_100016259895_200000230852 [0,2,0,0,0,0|2,0,0]=4 7490 B13R1.485 CCCCc1ccccc1CCN 271570a_100020621405_100000747383 [0,2,0,0,0,0|1,0,0]=3 7491 B13R1.485 CCCCc1ccccc1CCO 271570a_100020621405_100000731337 [0,2,0,0,0,0|2,0,0]=4 7492 B13R1.485 CCCCc1ccccc1CNC 271570a_100020621405_100000184654 [0,2,0,0,0,0|2,0,0]=4 7493 B13R1.485 CCCCc1ccccc1CNN 271570a_100020621405_200016993956 [0,2,0,0,0,0|2,0,0]=4 7494 B13R1.485 CCCCc1ccccc1COC 271570a_100020621405_100011493684 [0,2,0,0,0,0|1,0,0]=3 7495 B13R1.485 CCCCc1ccccc1CSC 271570a_100020621405_100000148299 [0,2,0,0,0,0|1,1,0]=4 7496 B13R1.485 CCCCc1ccccc1NCC 2230a_200011217597_100000210202 [0,2,0,0,0,0|2,0,0]=4 7497 B13R1.485 CCCCc1ccccc1NCC 271570a_100020621405_114873767003 [0,2,0,0,0,0|2,0,0]=4 7498 B13R1.485 CCCCc1ccccc1NCC 34a_200011217597_100000210202 [0,2,0,0,0,0|2,0,0]=4 7499 B13R1.485 CCCCc1ccccc1NCC 7a_200011217597_100000210202 [0,2,0,0,0,0|2,0,0]=4 7500 B13R1.485 CCCCc1ccccc1NCF 34a_200011217597_100015361967 [0,2,0,0,0,0|2,0,0]=4 7501 B13R1.485 CCCCc1ccccc1NCF 7a_200011217597_100015361967 [0,2,0,0,0,0|2,0,0]=4 7502 B13R1.485 CCCCc1ccccc1OCC 271570a_100020621405_100000230754 [0,2,0,0,0,0|1,0,0]=3 7503 B13R1.485 CCCCc1ccccc1SCC 271570a_100020621405_100000230856 [0,2,0,0,0,0|1,1,0]=4 7504 B13R1.485 CCCCc1cccnc1OCC 271570a_100020621405_100011465154 [0,2,0,0,0,0|2,0,0]=4 7505 B13R1.485 CCCCc1ncccc1OCC 271570a_100020621405_100011597540 [0,2,0,0,0,0|2,0,0]=4 7506 B13R1.485 CCCNc1ccccc1CCC 2230a_100000737634_100000210303 [0,2,0,0,0,0|2,0,0]=4 7507 B13R1.485 CCCNc1ccccc1CCC 34a_100000737634_100000210303 [0,2,0,0,0,0|2,0,0]=4 7508 B13R1.485 CCCNc1ccccc1CCC 7a_100000737634_100000210303 [0,2,0,0,0,0|2,0,0]=4 7509 B13R1.485 CCCNc1ccccc1CCO 2230a_100011215289_100000210303 [0,2,0,0,0,0|2,0,0]=4 7510 B13R1.485 CCCNc1ccccc1CCO 34a_100011215289_100000210303 [0,2,0,0,0,0|2,0,0]=4 7511 B13R1.485 CCCNc1ccccc1OCC 34a_100000211218_100000210303 [0,2,0,0,0,0|1,0,0]=3 7512 B13R1.485 CCCNc1ccccc1SCC 34a_100011223125_100000210303 [0,2,0,0,0,0|1,1,0]=4 7513 B13R1.485 CCCOc1ccccc1CC#N 34a_100000043107_100000210303 [0,2,0,0,0,0|0,0,2]=4 7514 B13R1.485 CCCOc1ccccc1CC#N 7a_100000043107_100000210303 [0,2,0,0,0,0|0,0,2]=4 7515 B13R1.485 CCCOc1ccccc1CCBr 34a_100000722297_100000210303 [0,2,0,0,0,0|1,0,0]=3 7516 B13R1.485 CCCOc1ccccc1CCBr 7a_100000722297_100000210303 [0,2,0,0,0,0|1,0,0]=3 7517 B13R1.485 CCCOc1ccccc1CCC 34a_100011217252_100000210303 [0,2,0,0,0,0|1,0,0]=3 7518 B13R1.485 CCCOc1ccccc1CCC 7a_100011217252_100000210303 [0,2,0,0,0,0|1,0,0]=3 7519 B13R1.485 CCCOc1ccccc1CCN 34a_100011207237_100000210303 [0,2,0,0,0,0|0,0,0]=2 7520 B13R1.485 CCCOc1ccccc1CCO 34a_100000719421_100000210303 [0,2,0,0,0,0|1,0,0]=3 7521 B13R1.485 CCCOc1ccccc1CCO 7a_100000719421_100000210303 [0,2,0,0,0,0|1,0,0]=3 7522 B13R1.485 CCCOc1ccccc1CNC 207a_100102657272_100000169845 [0,2,0,0,0,0|2,0,0]=4 7523 B13R1.485 CCCOc1ccccc1CNC 270004a_106832991635_100000169845 [0,2,0,0,0,0|2,0,0]=4 7524 B13R1.485 CCCOc1ccccc1CNC 34a_100015189988_100000210303 [0,2,0,0,0,0|2,0,0]=4 7525 B13R1.485 CCCOc1ccccc1COC 34a_100011232767_200000210301 [0,2,0,0,0,0|1,0,0]=3 7526 B13R1.485 CCCOc1ccccc1COC 34a_100011488565_100000210303 [0,2,0,0,0,0|1,0,0]=3 7527 B13R1.485 CCCOc1ccccc1COC 7a_100011232767_200000210301 [0,2,0,0,0,0|1,0,0]=3 7528 B13R1.485 CCCOc1ccccc1COC 7a_100011488565_100000210303 [0,2,0,0,0,0|1,0,0]=3 7529 B13R1.485 CCCOc1ccccc1CO[13CH3] 34a_100011232767_200025704644 [0,2,0,0,0,0|1,0,0]=3 7530 B13R1.485 CCCOc1ccccc1CO[13CH3] 7a_100011232767_200025704644 [0,2,0,0,0,0|1,0,0]=3 7531 B13R1.485 CCCOc1ccccc1NCC 27a_100015525214_100000174042 [0,2,0,0,0,0|2,0,0]=4 7532 B13R1.485 CCCOc1ccccc1NCC 34a_100000683936_100000210202 [0,2,0,0,0,0|2,0,0]=4 7533 B13R1.485 CCCOc1ccccc1NCC 34a_103624766699_100000210303 [0,2,0,0,0,0|2,0,0]=4 7534 B13R1.485 CCCOc1ccccc1NCC 7a_103624766699_100000210303 [0,2,0,0,0,0|2,0,0]=4 7535 B13R1.485 CCCOc1ccccc1NCF 34a_100000683936_100015361967 [0,2,0,0,0,0|2,0,0]=4 7536 B13R1.485 CCCOc1ccccc1OCC 34a_100000180214_100000210202 [0,2,0,0,0,0|1,0,0]=3 7537 B13R1.485 CCCOc1ccccc1OCC 34a_100000211404_100000210303 [0,2,0,0,0,0|1,0,0]=3 7538 B13R1.485 CCCOc1ccccc1OCC 7a_100000180214_100000210202 [0,2,0,0,0,0|1,0,0]=3 7539 B13R1.485 CCCOc1ccccc1OCC 7a_100000211404_100000210303 [0,2,0,0,0,0|1,0,0]=3 7540 B13R1.485 CCCOc1ccccc1OCF 34a_100000180214_100015361967 [0,2,0,0,0,0|1,0,0]=3 7541 B13R1.485 CCCOc1ccccc1OCF 7a_100000180214_100015361967 [0,2,0,0,0,0|1,0,0]=3 7542 B13R1.485 CCCOc1ccccc1SCC 62a_100000174042_100000210202 [0,2,0,0,0,0|1,1,0]=4 7543 B13R1.485 CCCOc1ccccc1SCC 62a_100000210202_100000174042 [0,2,0,0,0,0|1,1,0]=4 7544 B13R1.485 CCCOc1ccccc1SCF 62a_100000174042_100015361967 [0,2,0,0,0,0|1,1,0]=4 7545 B13R1.485 CCCOc1ccccc1SCF 62a_100015361967_100000174042 [0,2,0,0,0,0|1,1,0]=4 7546 B13R1.485 CCCOc1cccnc1OCC 34a_100011998697_100000210303 [0,2,0,0,0,0|2,0,0]=4 7547 B13R1.485 CCCSc1ccccc1CCN 62a_100000210303_100000747383 [0,2,0,0,0,0|0,1,0]=3 7548 B13R1.485 CCCSc1ccccc1CCN 62a_100000747383_100000210303 [0,2,0,0,0,0|0,1,0]=3 7549 B13R1.485 CCCSc1ccccc1CCO 62a_100000210303_100000731337 [0,2,0,0,0,0|1,1,0]=4 7550 B13R1.485 CCCSc1ccccc1CCO 62a_100000731337_100000210303 [0,2,0,0,0,0|1,1,0]=4 7551 B13R1.485 CCCSc1ccccc1CNC 62a_100000184654_100000210303 [0,2,0,0,0,0|2,0,0]=4 7552 B13R1.485 CCCSc1ccccc1CNC 62a_100000210303_100000184654 [0,2,0,0,0,0|2,0,0]=4 7553 B13R1.485 CCCSc1ccccc1CNN 62a_100000210303_200016993956 [0,2,0,0,0,0|1,1,0]=4 7554 B13R1.485 CCCSc1ccccc1CNN 62a_200016993956_100000210303 [0,2,0,0,0,0|1,1,0]=4 7555 B13R1.485 CCCSc1ccccc1COC 62a_100000210303_100011493684 [0,2,0,0,0,0|1,0,0]=3 7556 B13R1.485 CCCSc1ccccc1COC 62a_100011493684_100000210303 [0,2,0,0,0,0|1,0,0]=3 7557 B13R1.485 CCCSc1ccccc1CSC 62a_100000148299_100000210303 [0,2,0,0,0,0|1,1,0]=4 7558 B13R1.485 CCCSc1ccccc1CSC 62a_100000210303_100000148299 [0,2,0,0,0,0|1,1,0]=4 7559 B13R1.485 CCCSc1ccccc1NCC 34a_100015184514_100000210202 [0,2,0,0,0,0|2,0,0]=4 7560 B13R1.485 CCCSc1ccccc1NCC 62a_100000210303_114873767003 [0,2,0,0,0,0|2,0,0]=4 7561 B13R1.485 CCCSc1ccccc1NCC 62a_114873767003_100000210303 [0,2,0,0,0,0|2,0,0]=4 7562 B13R1.485 CCCSc1ccccc1NCC 7a_100015184514_100000210202 [0,2,0,0,0,0|2,0,0]=4 7563 B13R1.485 CCCSc1ccccc1NCF 34a_100015184514_100015361967 [0,2,0,0,0,0|2,0,0]=4 7564 B13R1.485 CCCSc1ccccc1NCF 7a_100015184514_100015361967 [0,2,0,0,0,0|2,0,0]=4 7565 B13R1.485 CCCSc1ccccc1OCC 62a_100000210303_100000230754 [0,2,0,0,0,0|1,0,0]=3 7566 B13R1.485 CCCSc1ccccc1OCC 62a_100000230754_100000210303 [0,2,0,0,0,0|1,0,0]=3 7567 B13R1.485 CCCSc1ccccc1SCC 62a_100000210303_100000230856 [0,2,0,0,0,0|1,1,0]=4 7568 B13R1.485 CCCSc1ccccc1SCC 62a_100000230856_100000210303 [0,2,0,0,0,0|1,1,0]=4 7569 B13R1.485 CCCSc1cccnc1OCC 62a_100000210303_100011465154 [0,2,0,0,0,0|2,0,0]=4 7570 B13R1.485 CCCSc1cccnc1OCC 62a_100011465154_100000210303 [0,2,0,0,0,0|2,0,0]=4 7571 B13R1.485 CCCSc1ncccc1OCC 62a_100000210303_100011597540 [0,2,0,0,0,0|2,0,0]=4 7572 B13R1.485 CCCSc1ncccc1OCC 62a_100011597540_100000210303 [0,2,0,0,0,0|2,0,0]=4 7573 B13R1.485 CCCc1ccccc1NCC#N 2230a_100000737634_100011215382 [0,2,0,0,0,0|2,0,0]=4 7574 B13R1.485 CCCc1ccccc1NCC#N 7a_100000737634_100011215382 [0,2,0,0,0,0|2,0,0]=4 7575 B13R1.485 CCCc1ccccc1NCC=O 2230a_100000737634_200015260668 [0,2,0,0,0,0|2,0,0]=4 7576 B13R1.485 CCCc1ccccc1NCC=O 34a_100000737634_200009817547 [0,2,0,0,0,0|2,0,0]=4 7577 B13R1.485 CCCc1ccccc1NCC=O 7a_100000737634_200015260668 [0,2,0,0,0,0|2,0,0]=4 7578 B13R1.485 CCCc1ccccc1NCCF 2230a_100000737634_100011217306 [0,2,0,0,0,0|2,0,0]=4 7579 B13R1.485 CCCc1ccccc1NCCF 34a_100000737634_100011217306 [0,2,0,0,0,0|2,0,0]=4 7580 B13R1.485 CCCc1ccccc1NCCF 7a_100000737634_100011217306 [0,2,0,0,0,0|2,0,0]=4 7581 B13R1.485 CCCc1ccccc1NCCO 2230a_100000737634_100000211926 [0,2,0,0,0,0|2,0,0]=4 7582 B13R1.485 CCCc1ccccc1NCCO 34a_100000737634_100000211926 [0,2,0,0,0,0|2,0,0]=4 7583 B13R1.485 CCCc1ccccc1NCCO 7a_100000737634_100000211926 [0,2,0,0,0,0|2,0,0]=4 7584 B13R1.485 CCCc1ccccc1NCOC 2230a_100000737634_100000766300 [0,2,0,0,0,0|1,0,0]=3 7585 B13R1.485 CCCc1ccccc1NCSC 2230a_100000737634_100011218213 [0,2,0,0,0,0|1,1,0]=4 7586 B13R1.485 CCCc1ccccc1NCSC 34a_100000737634_100011218213 [0,2,0,0,0,0|1,1,0]=4 7587 B13R1.485 CCCc1ccccc1OCC#N 7a_100011217252_100011215382 [0,2,0,0,0,0|1,0,0]=3 7588 B13R1.485 CCCc1ccccc1OCC=O 34a_100011217252_200009817547 [0,2,0,0,0,0|1,0,0]=3 7589 B13R1.485 CCCc1ccccc1OCC=O 7a_100011217252_200015260668 [0,2,0,0,0,0|1,0,0]=3 7590 B13R1.485 CCCc1ccccc1OCCF 34a_100011217252_100011217306 [0,2,0,0,0,0|1,0,0]=3 7591 B13R1.485 CCCc1ccccc1OCCF 7a_100011217252_100011217306 [0,2,0,0,0,0|1,0,0]=3 7592 B13R1.485 CCCc1ccccc1OCCO 34a_100011217252_100000211926 [0,2,0,0,0,0|1,0,0]=3 7593 B13R1.485 CCCc1ccccc1OCCO 7a_100011217252_100000211926 [0,2,0,0,0,0|1,0,0]=3 7594 B13R1.485 CCCc1ccccc1OCSC 34a_100011217252_100011218213 [0,2,0,0,0,0|1,0,0]=3 7595 B13R1.485 CCNCc1ccccc1OCC 207a_100015525214_100000169843 [0,2,0,0,0,0|1,0,0]=3 7596 B13R1.485 CCNCc1ccccc1OCC 270004a_100015525214_100000169843 [0,2,0,0,0,0|1,0,0]=3 7597 B13R1.485 CCNCc1cccnc1OCC 207a_100015525214_100011290805 [0,2,0,0,0,0|2,0,0]=4 7598 B13R1.485 CCNCc1cccnc1OCC 270004a_100015525214_100011290805 [0,2,0,0,0,0|2,0,0]=4 7599 B13R1.485 CCNCc1cnccc1OCC 270004a_100015525214_200011935332 [0,2,0,0,0,0|2,0,0]=4 7600 B13R1.485 CCNCc1ncccc1OCC 207a_100015525214_100009876934 [0,2,0,0,0,0|2,0,0]=4 7601 B13R1.485 CCNCc1ncccc1OCC 270004a_100015525214_100009876934 [0,2,0,0,0,0|2,0,0]=4 7602 B13R1.485 CCNc1ccccc1OCC#N 7a_103624766699_100011215382 [0,2,0,0,0,0|2,0,0]=4 7603 B13R1.485 CCNc1ccccc1OCC=O 34a_103624766699_200009817547 [0,2,0,0,0,0|2,0,0]=4 7604 B13R1.485 CCNc1ccccc1OCC=O 7a_103624766699_200015260668 [0,2,0,0,0,0|2,0,0]=4 7605 B13R1.485 CCNc1ccccc1OCCF 34a_100012000959_100000210202 [0,2,0,0,0,0|2,0,0]=4 7606 B13R1.485 CCNc1ccccc1OCCF 34a_103624766699_100011217306 [0,2,0,0,0,0|2,0,0]=4 7607 B13R1.485 CCNc1ccccc1OCCF 7a_103624766699_100011217306 [0,2,0,0,0,0|2,0,0]=4 7608 B13R1.485 CCNc1ccccc1OCCO 34a_100132302172_100000210202 [0,2,0,0,0,0|2,0,0]=4 7609 B13R1.485 CCNc1ccccc1OCCO 34a_103624766699_100000211926 [0,2,0,0,0,0|2,0,0]=4 7610 B13R1.485 CCNc1ccccc1OCCO 7a_103624766699_100000211926 [0,2,0,0,0,0|2,0,0]=4 7611 B13R1.485 CCNc1ccccc1OCSC 34a_103624766699_100011218213 [0,2,0,0,0,0|2,0,0]=4 7612 B13R1.485 CCNc1ccccc1SCCF 62a_100011217306_114873767003 [0,2,0,0,0,0|2,0,0]=4 7613 B13R1.485 CCNc1ccccc1SCCF 62a_114873767003_100011217306 [0,2,0,0,0,0|2,0,0]=4 7614 B13R1.485 CCNc1ccccc1SCCO 62a_100000211926_114873767003 [0,2,0,0,0,0|2,0,0]=4 7615 B13R1.485 CCNc1ccccc1SCCO 62a_114873767003_100000211926 [0,2,0,0,0,0|2,0,0]=4 7616 B13R1.485 CCNc1ccccc1SCOC 62a_100000766300_114873767003 [0,2,0,0,0,0|2,0,0]=4 7617 B13R1.485 CCNc1ccccc1SCOC 62a_114873767003_100000766300 [0,2,0,0,0,0|2,0,0]=4 7618 B13R1.485 CCOCc1ccccc1OCC 34a_100000708577_100000210202 [0,2,0,0,0,0|1,0,0]=3 7619 B13R1.485 CCOCc1ccccc1OCC 7a_100000708577_100000210202 [0,2,0,0,0,0|1,0,0]=3 7620 B13R1.485 CCOCc1ccccc1SCC 62a_100000210202_200011493690 [0,2,0,0,0,0|1,1,0]=4 7621 B13R1.485 CCOCc1ccccc1SCC 62a_200011493690_100000210202 [0,2,0,0,0,0|1,1,0]=4 7622 B13R1.485 CCOCc1ccccc1SCF 62a_100015361967_200011493690 [0,2,0,0,0,0|1,1,0]=4 7623 B13R1.485 CCOCc1ccccc1SCF 62a_200011493690_100015361967 [0,2,0,0,0,0|1,1,0]=4 7624 B13R1.485 CCOc1ccccc1CCNC 2230a_100000750806_200000210301 [0,2,0,0,0,0|0,0,0]=2 7625 B13R1.485 CCOc1ccccc1CCNC 34a_100000750806_200000210301 [0,2,0,0,0,0|0,0,0]=2 7626 B13R1.485 CCOc1ccccc1CCN[13CH3] 2230a_100000750806_200025704644 [0,2,0,0,0,0|0,0,0]=2 7627 B13R1.485 CCOc1ccccc1CCN[13CH3] 34a_100000750806_200025704644 [0,2,0,0,0,0|0,0,0]=2 7628 B13R1.485 CCOc1ccccc1CCOC 34a_100000722730_100000210202 [0,2,0,0,0,0|1,0,0]=3 7629 B13R1.485 CCOc1ccccc1CCOC 34a_100011754905_200000210301 [0,2,0,0,0,0|1,0,0]=3 7630 B13R1.485 CCOc1ccccc1CCOC 7a_100000722730_100000210202 [0,2,0,0,0,0|1,0,0]=3 7631 B13R1.485 CCOc1ccccc1CCOC 7a_100011754905_200000210301 [0,2,0,0,0,0|1,0,0]=3 7632 B13R1.485 CCOc1ccccc1CCO[13CH3] 34a_100011754905_200025704644 [0,2,0,0,0,0|1,0,0]=3 7633 B13R1.485 CCOc1ccccc1CCO[13CH3] 7a_100011754905_200025704644 [0,2,0,0,0,0|1,0,0]=3 7634 B13R1.485 CCOc1ccccc1COCF 34a_100000708577_100015361967 [0,2,0,0,0,0|1,0,0]=3 7635 B13R1.485 CCOc1ccccc1COCF 7a_100000708577_100015361967 [0,2,0,0,0,0|1,0,0]=3 7636 B13R1.485 CCOc1ccccc1NCC=O 34a_100000211218_200009817547 [0,2,0,0,0,0|1,0,1]=4 7637 B13R1.485 CCOc1ccccc1NCCF 34a_100000211218_100011217306 [0,2,0,0,0,0|1,0,0]=3 7638 B13R1.485 CCOc1ccccc1NCCO 34a_100000211218_100000211926 [0,2,0,0,0,0|1,0,0]=3 7639 B13R1.485 CCOc1ccccc1NCSC 34a_100000211218_100011218213 [0,2,0,0,0,0|2,0,0]=4 7640 B13R1.485 CCOc1ccccc1OCC#N 7a_100000211404_100011215382 [0,2,0,0,0,0|0,0,2]=4 7641 B13R1.485 CCOc1ccccc1OCC=O 34a_100000211404_200009817547 [0,2,0,0,0,0|1,0,1]=4 7642 B13R1.485 CCOc1ccccc1OCC=O 7a_100000211404_200015260668 [0,2,0,0,0,0|1,0,1]=4 7643 B13R1.485 CCOc1ccccc1OCCF 34a_100000211404_100011217306 [0,2,0,0,0,0|1,0,0]=3 7644 B13R1.485 CCOc1ccccc1OCCF 7a_100000211404_100011217306 [0,2,0,0,0,0|1,0,0]=3 7645 B13R1.485 CCOc1ccccc1OCCO 34a_100000181789_100000210202 [0,2,0,0,0,0|1,0,0]=3 7646 B13R1.485 CCOc1ccccc1OCCO 34a_100000211404_100000211926 [0,2,0,0,0,0|1,0,0]=3 7647 B13R1.485 CCOc1ccccc1OCCO 7a_100000181789_100000210202 [0,2,0,0,0,0|1,0,0]=3 7648 B13R1.485 CCOc1ccccc1OCCO 7a_100000211404_100000211926 [0,2,0,0,0,0|1,0,0]=3 7649 B13R1.485 CCOc1ccccc1OCSC 34a_100000211404_100011218213 [0,2,0,0,0,0|2,0,0]=4 7650 B13R1.485 CCOc1ccccc1SCC#N 62a_100000230754_100011215382 [0,2,0,0,0,0|0,0,2]=4 7651 B13R1.485 CCOc1ccccc1SCC#N 62a_100011215382_100000230754 [0,2,0,0,0,0|0,0,2]=4 7652 B13R1.485 CCOc1ccccc1SCC=O 62a_100000230754_200015260668 [0,2,0,0,0,0|1,0,1]=4 7653 B13R1.485 CCOc1ccccc1SCC=O 62a_200015260668_100000230754 [0,2,0,0,0,0|1,0,1]=4 7654 B13R1.485 CCOc1ccccc1SCCF 62a_100000230754_100011217306 [0,2,0,0,0,0|1,0,0]=3 7655 B13R1.485 CCOc1ccccc1SCCF 62a_100011217306_100000230754 [0,2,0,0,0,0|1,0,0]=3 7656 B13R1.485 CCOc1ccccc1SCCO 62a_100000211926_100000230754 [0,2,0,0,0,0|1,0,0]=3 7657 B13R1.485 CCOc1ccccc1SCCO 62a_100000230754_100000211926 [0,2,0,0,0,0|1,0,0]=3 7658 B13R1.485 CCOc1ccccc1SCOC 62a_100000230754_100000766300 [0,2,0,0,0,0|2,0,0]=4 7659 B13R1.485 CCOc1ccccc1SCOC 62a_100000766300_100000230754 [0,2,0,0,0,0|2,0,0]=4 7660 B13R1.485 CCOc1ccccc1SCSC 62a_100000230754_100011218213 [0,2,0,0,0,0|2,0,0]=4 7661 B13R1.485 CCOc1ccccc1SCSC 62a_100011218213_100000230754 [0,2,0,0,0,0|2,0,0]=4 7662 B13R1.485 CCOc1cccnc1SCCF 62a_100011217306_100011597540 [0,2,0,0,0,0|2,0,0]=4 7663 B13R1.485 CCOc1cccnc1SCCF 62a_100011597540_100011217306 [0,2,0,0,0,0|2,0,0]=4 7664 B13R1.485 CCOc1cccnc1SCCO 62a_100000211926_100011597540 [0,2,0,0,0,0|2,0,0]=4 7665 B13R1.485 CCOc1cccnc1SCCO 62a_100011597540_100000211926 [0,2,0,0,0,0|2,0,0]=4 7666 B13R1.485 CCOc1ncccc1OCCF 34a_100011998697_100011217306 [0,2,0,0,0,0|2,0,0]=4 7667 B13R1.485 CCOc1ncccc1OCCO 34a_100011998697_100000211926 [0,2,0,0,0,0|2,0,0]=4 7668 B13R1.485 CCOc1ncccc1SCCF 62a_100011217306_100011465154 [0,2,0,0,0,0|2,0,0]=4 7669 B13R1.485 CCOc1ncccc1SCCF 62a_100011465154_100011217306 [0,2,0,0,0,0|2,0,0]=4 7670 B13R1.485 CCOc1ncccc1SCCO 62a_100000211926_100011465154 [0,2,0,0,0,0|2,0,0]=4 7671 B13R1.485 CCOc1ncccc1SCCO 62a_100011465154_100000211926 [0,2,0,0,0,0|2,0,0]=4 7672 B13R1.485 CCSCc1ccccc1SCC 62a_100000210202_200000173030 [0,2,0,0,0,0|1,1,0]=4 7673 B13R1.485 CCSCc1ccccc1SCC 62a_200000173030_100000210202 [0,2,0,0,0,0|1,1,0]=4 7674 B13R1.485 CCSCc1ccccc1SCF 62a_100015361967_200000173030 [0,2,0,0,0,0|1,1,0]=4 7675 B13R1.485 CCSCc1ccccc1SCF 62a_200000173030_100015361967 [0,2,0,0,0,0|1,1,0]=4 7676 B13R1.485 CCSc1ccccc1CCC=O 62a_100000210202_100011713448 [0,2,0,0,0,0|1,1,0]=4 7677 B13R1.485 CCSc1ccccc1CCC=O 62a_100011713448_100000210202 [0,2,0,0,0,0|1,1,0]=4 7678 B13R1.485 CCSc1ccccc1CCCO 62a_100000210202_100000699526 [0,2,0,0,0,0|1,1,0]=4 7679 B13R1.485 CCSc1ccccc1CCCO 62a_100000699526_100000210202 [0,2,0,0,0,0|1,1,0]=4 7680 B13R1.485 CCSc1ccccc1NCCF 34a_100011223125_100011217306 [0,2,0,0,0,0|1,1,0]=4 7681 B13R1.485 CCSc1ccccc1NCCO 34a_100011223125_100000211926 [0,2,0,0,0,0|1,1,0]=4 7682 B13R1.485 CCSc1ccccc1OCC#N 62a_100000210202_200000173881 [0,2,0,0,0,0|2,0,0]=4 7683 B13R1.485 CCSc1ccccc1OCC#N 62a_200000173881_100000210202 [0,2,0,0,0,0|2,0,0]=4 7684 B13R1.485 CCSc1ccccc1OCCN 62a_100000210202_100000744007 [0,2,0,0,0,0|0,1,0]=3 7685 B13R1.485 CCSc1ccccc1OCCN 62a_100000744007_100000210202 [0,2,0,0,0,0|0,1,0]=3 7686 B13R1.485 CCSc1ccccc1OCCO 62a_100000210202_100000230753 [0,2,0,0,0,0|1,1,0]=4 7687 B13R1.485 CCSc1ccccc1OCCO 62a_100000230753_100000210202 [0,2,0,0,0,0|1,1,0]=4 7688 B13R1.485 CCSc1ccccc1OCOC 62a_100000210202_200000230759 [0,2,0,0,0,0|2,0,0]=4 7689 B13R1.485 CCSc1ccccc1OCOC 62a_200000230759_100000210202 [0,2,0,0,0,0|2,0,0]=4 7690 B13R1.485 CCSc1ccccc1SCCF 62a_100000230856_100011217306 [0,2,0,0,0,0|1,1,0]=4 7691 B13R1.485 CCSc1ccccc1SCCF 62a_100011217306_100000230856 [0,2,0,0,0,0|1,1,0]=4 7692 B13R1.485 CCSc1ccccc1SCCO 62a_100000210202_200000230852 [0,2,0,0,0,0|1,1,0]=4 7693 B13R1.485 CCSc1ccccc1SCCO 62a_100000211926_100000230856 [0,2,0,0,0,0|1,1,0]=4 7694 B13R1.485 CCSc1ccccc1SCCO 62a_100000230856_100000211926 [0,2,0,0,0,0|1,1,0]=4 7695 B13R1.485 CCSc1ccccc1SCCO 62a_200000230852_100000210202 [0,2,0,0,0,0|1,1,0]=4 7696 B13R1.485 CCSc1ccccc1SCOC 62a_100000230856_100000766300 [0,2,0,0,0,0|2,0,0]=4 7697 B13R1.485 CCSc1ccccc1SCOC 62a_100000766300_100000230856 [0,2,0,0,0,0|2,0,0]=4 7698 B13R1.485 CNCc1ccccc1OCC#N 270004a_106832991635_100000169419 [0,2,0,0,0,0|2,0,0]=4 7699 B13R1.485 CNCc1ccccc1OCC=O 34a_100015189988_200009817547 [0,2,0,0,0,0|2,0,0]=4 7700 B13R1.485 CNCc1ccccc1OCCF 34a_100015189988_100011217306 [0,2,0,0,0,0|2,0,0]=4 7701 B13R1.485 CNCc1ccccc1OCCO 207a_100102657272_100011217318 [0,2,0,0,0,0|2,0,0]=4 7702 B13R1.485 CNCc1ccccc1OCCO 270004a_106832991635_100011217318 [0,2,0,0,0,0|2,0,0]=4 7703 B13R1.485 CNCc1ccccc1OCCO 34a_100015189988_100000211926 [0,2,0,0,0,0|2,0,0]=4 7704 B13R1.485 CNCc1ccccc1OCSC 34a_100015189988_100011218213 [0,2,0,0,0,0|2,0,0]=4 7705 B13R1.485 CNCc1ccccc1SCCF 62a_100000184654_100011217306 [0,2,0,0,0,0|2,0,0]=4 7706 B13R1.485 CNCc1ccccc1SCCF 62a_100011217306_100000184654 [0,2,0,0,0,0|2,0,0]=4 7707 B13R1.485 CNCc1ccccc1SCCO 62a_100000184654_100000211926 [0,2,0,0,0,0|2,0,0]=4 7708 B13R1.485 CNCc1ccccc1SCCO 62a_100000211926_100000184654 [0,2,0,0,0,0|2,0,0]=4 7709 B13R1.485 CNCc1ccccc1SCOC 62a_100000184654_100000766300 [0,2,0,0,0,0|2,0,0]=4 7710 B13R1.485 CNCc1ccccc1SCOC 62a_100000766300_100000184654 [0,2,0,0,0,0|2,0,0]=4 7711 B13R1.485 COCCc1ccccc1OCF 34a_100000722730_100015361967 [0,2,0,0,0,0|1,0,0]=3 7712 B13R1.485 COCCc1ccccc1OCF 7a_100000722730_100015361967 [0,2,0,0,0,0|1,0,0]=3 7713 B13R1.485 COCNc1ccccc1CCO 2230a_100011215289_100000766300 [0,2,0,0,0,0|1,0,0]=3 7714 B13R1.485 COCOc1ccccc1SCF 62a_100015361967_200000230759 [0,2,0,0,0,0|2,0,0]=4 7715 B13R1.485 COCOc1ccccc1SCF 62a_200000230759_100015361967 [0,2,0,0,0,0|2,0,0]=4 7716 B13R1.485 COCSc1ccccc1CC#N 62a_100000033512_100000766300 [0,2,0,0,0,0|0,0,2]=4 7717 B13R1.485 COCSc1ccccc1CC#N 62a_100000766300_100000033512 [0,2,0,0,0,0|0,0,2]=4 7718 B13R1.485 COCSc1ccccc1CCN 62a_100000747383_100000766300 [0,2,0,0,0,0|0,0,0]=2 7719 B13R1.485 COCSc1ccccc1CCN 62a_100000766300_100000747383 [0,2,0,0,0,0|0,0,0]=2 7720 B13R1.485 COCSc1ccccc1CCO 62a_100000731337_100000766300 [0,2,0,0,0,0|1,0,0]=3 7721 B13R1.485 COCSc1ccccc1CCO 62a_100000766300_100000731337 [0,2,0,0,0,0|1,0,0]=3 7722 B13R1.485 COCSc1ccccc1CNN 62a_100000766300_200016993956 [0,2,0,0,0,0|1,0,0]=3 7723 B13R1.485 COCSc1ccccc1CNN 62a_200016993956_100000766300 [0,2,0,0,0,0|1,0,0]=3 7724 B13R1.485 COCSc1ccccc1COC 62a_100000766300_100011493684 [0,2,0,0,0,0|2,0,0]=4 7725 B13R1.485 COCSc1ccccc1COC 62a_100011493684_100000766300 [0,2,0,0,0,0|2,0,0]=4 7726 B13R1.485 COCSc1ccccc1CSC 62a_100000148299_100000766300 [0,2,0,0,0,0|2,0,0]=4 7727 B13R1.485 COCSc1ccccc1CSC 62a_100000766300_100000148299 [0,2,0,0,0,0|2,0,0]=4 7728 B13R1.485 COCc1ccccc1OCC#N 7a_100011488565_100011215382 [0,2,0,0,0,0|0,0,2]=4 7729 B13R1.485 COCc1ccccc1OCC=O 34a_100011488565_200009817547 [0,2,0,0,0,0|1,0,1]=4 7730 B13R1.485 COCc1ccccc1OCC=O 7a_100011488565_200015260668 [0,2,0,0,0,0|1,0,1]=4 7731 B13R1.485 COCc1ccccc1OCCF 34a_100011488565_100011217306 [0,2,0,0,0,0|1,0,0]=3 7732 B13R1.485 COCc1ccccc1OCCF 7a_100011488565_100011217306 [0,2,0,0,0,0|1,0,0]=3 7733 B13R1.485 COCc1ccccc1OCCO 34a_100011488565_100000211926 [0,2,0,0,0,0|1,0,0]=3 7734 B13R1.485 COCc1ccccc1OCCO 7a_100011488565_100000211926 [0,2,0,0,0,0|1,0,0]=3 7735 B13R1.485 COCc1ccccc1OCSC 34a_100011488565_100011218213 [0,2,0,0,0,0|2,0,0]=4 7736 B13R1.485 COCc1ccccc1SCC#N 62a_100011215382_100011493684 [0,2,0,0,0,0|0,0,2]=4 7737 B13R1.485 COCc1ccccc1SCC#N 62a_100011493684_100011215382 [0,2,0,0,0,0|0,0,2]=4 7738 B13R1.485 COCc1ccccc1SCC=O 62a_100011493684_200015260668 [0,2,0,0,0,0|1,0,1]=4 7739 B13R1.485 COCc1ccccc1SCC=O 62a_200015260668_100011493684 [0,2,0,0,0,0|1,0,1]=4 7740 B13R1.485 COCc1ccccc1SCCF 62a_100011217306_100011493684 [0,2,0,0,0,0|1,0,0]=3 7741 B13R1.485 COCc1ccccc1SCCF 62a_100011493684_100011217306 [0,2,0,0,0,0|1,0,0]=3 7742 B13R1.485 COCc1ccccc1SCCO 62a_100000211926_100011493684 [0,2,0,0,0,0|1,0,0]=3 7743 B13R1.485 COCc1ccccc1SCCO 62a_100011493684_100000211926 [0,2,0,0,0,0|1,0,0]=3 7744 B13R1.485 COCc1ccccc1SCSC 62a_100011218213_100011493684 [0,2,0,0,0,0|2,0,0]=4 7745 B13R1.485 COCc1ccccc1SCSC 62a_100011493684_100011218213 [0,2,0,0,0,0|2,0,0]=4 7746 B13R1.485 CSCNc1ccccc1CCO 2230a_100011215289_100011218213 [0,2,0,0,0,0|1,1,0]=4 7747 B13R1.485 CSCNc1ccccc1CCO 34a_100011215289_100011218213 [0,2,0,0,0,0|1,1,0]=4 7748 B13R1.485 CSCOc1ccccc1CC#N 34a_100000043107_100011218213 [0,2,0,0,0,0|0,0,2]=4 7749 B13R1.485 CSCOc1ccccc1CCBr 34a_100000722297_100011218213 [0,2,0,0,0,0|1,0,0]=3 7750 B13R1.485 CSCOc1ccccc1CCN 34a_100011207237_100011218213 [0,2,0,0,0,0|0,0,0]=2 7751 B13R1.485 CSCOc1ccccc1CCO 34a_100000719421_100011218213 [0,2,0,0,0,0|1,0,0]=3 7752 B13R1.485 CSCSc1ccccc1CCN 62a_100000747383_100011218213 [0,2,0,0,0,0|0,1,0]=3 7753 B13R1.485 CSCSc1ccccc1CCN 62a_100011218213_100000747383 [0,2,0,0,0,0|0,1,0]=3 7754 B13R1.485 CSCSc1ccccc1CCO 62a_100000731337_100011218213 [0,2,0,0,0,0|1,1,0]=4 7755 B13R1.485 CSCSc1ccccc1CCO 62a_100011218213_100000731337 [0,2,0,0,0,0|1,1,0]=4 7756 B13R1.485 CSCSc1ccccc1CNN 62a_100011218213_200016993956 [0,2,0,0,0,0|1,1,0]=4 7757 B13R1.485 CSCSc1ccccc1CNN 62a_200016993956_100011218213 [0,2,0,0,0,0|1,1,0]=4 7758 B13R1.485 CSCc1ccccc1SCCF 62a_100000148299_100011217306 [0,2,0,0,0,0|1,1,0]=4 7759 B13R1.485 CSCc1ccccc1SCCF 62a_100011217306_100000148299 [0,2,0,0,0,0|1,1,0]=4 7760 B13R1.485 CSCc1ccccc1SCCO 62a_100000148299_100000211926 [0,2,0,0,0,0|1,1,0]=4 7761 B13R1.485 CSCc1ccccc1SCCO 62a_100000211926_100000148299 [0,2,0,0,0,0|1,1,0]=4 7762 B13R1.485 FCCOc1ccccc1CCBr 34a_100000722297_100011217306 [0,2,0,0,0,0|1,0,0]=3 7763 B13R1.485 FCCOc1ccccc1CCBr 7a_100000722297_100011217306 [0,2,0,0,0,0|1,0,0]=3 7764 B13R1.485 FCCOc1ccccc1NCF 34a_100012000959_100015361967 [0,2,0,0,0,0|2,0,0]=4 7765 B13R1.485 N#CCNc1ccccc1CCO 2230a_100011215289_100011215382 [0,2,0,0,0,0|2,0,0]=4 7766 B13R1.485 N#CCOc1ccccc1CC#N 7a_100000043107_100011215382 [0,2,0,0,0,0|0,0,2]=4 7767 B13R1.485 N#CCOc1ccccc1CCBr 7a_100000722297_100011215382 [0,2,0,0,0,0|1,0,0]=3 7768 B13R1.485 N#CCOc1ccccc1CCO 7a_100000719421_100011215382 [0,2,0,0,0,0|1,0,0]=3 7769 B13R1.485 N#CCOc1ccccc1SCF 62a_100015361967_200000173881 [0,2,0,0,0,0|2,0,0]=4 7770 B13R1.485 N#CCOc1ccccc1SCF 62a_200000173881_100015361967 [0,2,0,0,0,0|2,0,0]=4 7771 B13R1.485 N#CCSc1ccccc1CCN 62a_100000747383_100011215382 [0,2,0,0,0,0|0,1,0]=3 7772 B13R1.485 N#CCSc1ccccc1CCN 62a_100011215382_100000747383 [0,2,0,0,0,0|0,1,0]=3 7773 B13R1.485 N#CCSc1ccccc1CCO 62a_100000731337_100011215382 [0,2,0,0,0,0|1,1,0]=4 7774 B13R1.485 N#CCSc1ccccc1CCO 62a_100011215382_100000731337 [0,2,0,0,0,0|1,1,0]=4 7775 B13R1.485 N#CCSc1ccccc1CNN 62a_100011215382_200016993956 [0,2,0,0,0,0|1,1,0]=4 7776 B13R1.485 N#CCSc1ccccc1CNN 62a_200016993956_100011215382 [0,2,0,0,0,0|1,1,0]=4 7777 B13R1.485 N#CCc1ccccc1OCC=O 34a_100000043107_200009817547 [0,2,0,0,0,0|0,0,2]=4 7778 B13R1.485 N#CCc1ccccc1OCC=O 7a_100000043107_200015260668 [0,2,0,0,0,0|0,0,2]=4 7779 B13R1.485 N#CCc1ccccc1OCCF 34a_100000043107_100011217306 [0,2,0,0,0,0|0,0,2]=4 7780 B13R1.485 N#CCc1ccccc1OCCF 7a_100000043107_100011217306 [0,2,0,0,0,0|0,0,2]=4 7781 B13R1.485 N#CCc1ccccc1OCCO 34a_100000043107_100000211926 [0,2,0,0,0,0|0,0,2]=4 7782 B13R1.485 N#CCc1ccccc1OCCO 7a_100000043107_100000211926 [0,2,0,0,0,0|0,0,2]=4 7783 B13R1.485 NCCOc1ccccc1SCF 62a_100000744007_100015361967 [0,2,0,0,0,0|0,1,0]=3 7784 B13R1.485 NCCOc1ccccc1SCF 62a_100015361967_100000744007 [0,2,0,0,0,0|0,1,0]=3 7785 B13R1.485 NCCc1ccccc1OCC=O 34a_100011207237_200009817547 [0,2,0,0,0,0|0,0,0]=2 7786 B13R1.485 NCCc1ccccc1OCCF 34a_100011207237_100011217306 [0,2,0,0,0,0|0,0,0]=2 7787 B13R1.485 NCCc1ccccc1OCCO 34a_100011207237_100000211926 [0,2,0,0,0,0|0,0,0]=2 7788 B13R1.485 NCCc1ccccc1SCC=O 62a_100000747383_200015260668 [0,2,0,0,0,0|0,1,0]=3 7789 B13R1.485 NCCc1ccccc1SCC=O 62a_200015260668_100000747383 [0,2,0,0,0,0|0,1,0]=3 7790 B13R1.485 NCCc1ccccc1SCCF 62a_100000747383_100011217306 [0,2,0,0,0,0|0,1,0]=3 7791 B13R1.485 NCCc1ccccc1SCCF 62a_100011217306_100000747383 [0,2,0,0,0,0|0,1,0]=3 7792 B13R1.485 NCCc1ccccc1SCCO 62a_100000211926_100000747383 [0,2,0,0,0,0|0,1,0]=3 7793 B13R1.485 NCCc1ccccc1SCCO 62a_100000747383_100000211926 [0,2,0,0,0,0|0,1,0]=3 7794 B13R1.485 NNCc1ccccc1SCC=O 62a_200015260668_200016993956 [0,2,0,0,0,0|1,1,0]=4 7795 B13R1.485 NNCc1ccccc1SCC=O 62a_200016993956_200015260668 [0,2,0,0,0,0|1,1,0]=4 7796 B13R1.485 NNCc1ccccc1SCCF 62a_100011217306_200016993956 [0,2,0,0,0,0|1,1,0]=4 7797 B13R1.485 NNCc1ccccc1SCCF 62a_200016993956_100011217306 [0,2,0,0,0,0|1,1,0]=4 7798 B13R1.485 NNCc1ccccc1SCCO 62a_100000211926_200016993956 [0,2,0,0,0,0|1,1,0]=4 7799 B13R1.485 NNCc1ccccc1SCCO 62a_200016993956_100000211926 [0,2,0,0,0,0|1,1,0]=4 7800 B13R1.485 O=CCCc1ccccc1SCF 62a_100011713448_100015361967 [0,2,0,0,0,0|1,1,0]=4 7801 B13R1.485 O=CCCc1ccccc1SCF 62a_100015361967_100011713448 [0,2,0,0,0,0|1,1,0]=4 7802 B13R1.485 O=CCNc1ccccc1CCO 2230a_100011215289_200015260668 [0,2,0,0,0,0|2,0,0]=4 7803 B13R1.485 O=CCNc1ccccc1CCO 34a_100011215289_200009817547 [0,2,0,0,0,0|2,0,0]=4 7804 B13R1.485 O=CCOc1ccccc1CCBr 34a_100000722297_200009817547 [0,2,0,0,0,0|1,0,0]=3 7805 B13R1.485 O=CCOc1ccccc1CCBr 7a_100000722297_200015260668 [0,2,0,0,0,0|1,0,0]=3 7806 B13R1.485 O=CCOc1ccccc1CCO 34a_100000719421_200009817547 [0,2,0,0,0,0|1,0,0]=3 7807 B13R1.485 O=CCOc1ccccc1CCO 7a_100000719421_200015260668 [0,2,0,0,0,0|1,0,0]=3 7808 B13R1.485 O=CCSc1ccccc1CCO 62a_100000731337_200015260668 [0,2,0,0,0,0|1,1,0]=4 7809 B13R1.485 O=CCSc1ccccc1CCO 62a_200015260668_100000731337 [0,2,0,0,0,0|1,1,0]=4 7810 B13R1.485 OCCCc1ccccc1SCF 62a_100000699526_100015361967 [0,2,0,0,0,0|1,1,0]=4 7811 B13R1.485 OCCCc1ccccc1SCF 62a_100015361967_100000699526 [0,2,0,0,0,0|1,1,0]=4 7812 B13R1.485 OCCNc1ccccc1CCO 2230a_100011215289_100000211926 [0,2,0,0,0,0|2,0,0]=4 7813 B13R1.485 OCCNc1ccccc1CCO 34a_100011215289_100000211926 [0,2,0,0,0,0|2,0,0]=4 7814 B13R1.485 OCCOc1ccccc1CCBr 34a_100000722297_100000211926 [0,2,0,0,0,0|1,0,0]=3 7815 B13R1.485 OCCOc1ccccc1CCBr 7a_100000722297_100000211926 [0,2,0,0,0,0|1,0,0]=3 7816 B13R1.485 OCCOc1ccccc1CCO 34a_100000719421_100000211926 [0,2,0,0,0,0|1,0,0]=3 7817 B13R1.485 OCCOc1ccccc1CCO 7a_100000719421_100000211926 [0,2,0,0,0,0|1,0,0]=3 7818 B13R1.485 OCCOc1ccccc1NCF 34a_100132302172_100015361967 [0,2,0,0,0,0|2,0,0]=4 7819 B13R1.485 OCCOc1ccccc1OCF 34a_100000181789_100015361967 [0,2,0,0,0,0|1,0,0]=3 7820 B13R1.485 OCCOc1ccccc1OCF 7a_100000181789_100015361967 [0,2,0,0,0,0|1,0,0]=3 7821 B13R1.485 OCCOc1ccccc1SCF 62a_100000230753_100015361967 [0,2,0,0,0,0|1,1,0]=4 7822 B13R1.485 OCCOc1ccccc1SCF 62a_100015361967_100000230753 [0,2,0,0,0,0|1,1,0]=4 7823 B13R1.485 OCCSc1ccccc1CCO 62a_100000211926_100000731337 [0,2,0,0,0,0|1,1,0]=4 7824 B13R1.485 OCCSc1ccccc1CCO 62a_100000731337_100000211926 [0,2,0,0,0,0|1,1,0]=4 7825 B13R1.485 OCCSc1ccccc1SCF 62a_100015361967_200000230852 [0,2,0,0,0,0|1,1,0]=4 7826 B13R1.485 OCCSc1ccccc1SCF 62a_200000230852_100015361967 [0,2,0,0,0,0|1,1,0]=4 7827 B13R1.485 OCCc1ccccc1NCCF 2230a_100011215289_100011217306 [0,2,0,0,0,0|2,0,0]=4 7828 B13R1.485 OCCc1ccccc1NCCF 34a_100011215289_100011217306 [0,2,0,0,0,0|2,0,0]=4 7829 B13R1.485 OCCc1ccccc1OCCF 34a_100000719421_100011217306 [0,2,0,0,0,0|1,0,0]=3 7830 B13R1.485 OCCc1ccccc1OCCF 7a_100000719421_100011217306 [0,2,0,0,0,0|1,0,0]=3 7831 B13R1.485 OCCc1ccccc1SCCF 62a_100000731337_100011217306 [0,2,0,0,0,0|1,1,0]=4 7832 B13R1.485 OCCc1ccccc1SCCF 62a_100011217306_100000731337 [0,2,0,0,0,0|1,1,0]=4 7833 B13R1.556 C#CCNc1cc(ccc1OC)Br 34a_100000743470_100000184674 [0,2,0,0,0,0|1,0,1]=4 7834 B13R1.556 C#CCNc1cc(ccc1OC)C 2230a_100000210980_100000038162 [0,2,0,0,0,0|1,0,1]=4 7835 B13R1.556 C#CCNc1cc(ccc1OC)C 34a_100000210980_100000184674 [0,2,0,0,0,0|1,0,1]=4 7836 B13R1.556 C#CCNc1cc(ccc1OC)Cl 34a_100000182114_100000184674 [0,2,0,0,0,0|1,0,1]=4 7837 B13R1.556 C#CCNc1cc(ccc1OC)F 34a_100000757179_100000184674 [0,2,0,0,0,0|1,0,1]=4 7838 B13R1.556 C#CCOc1cc(ccc1OC)Br 34a_100009816560_100000184674 [0,2,0,0,0,0|1,0,1]=4 7839 B13R1.556 C#CCOc1cc(ccc1OC)Br 7a_100009816560_100000038162 [0,2,0,0,0,0|1,0,1]=4 7840 B13R1.556 C#CCOc1cc(ccc1OC)C 34a_100011216497_100000184674 [0,2,0,0,0,0|1,0,1]=4 7841 B13R1.556 C#CCOc1cc(ccc1OC)C 7a_100011216497_100000038162 [0,2,0,0,0,0|1,0,1]=4 7842 B13R1.556 C#CCOc1cc(ccc1OC)Cl 34a_100000101779_100000184674 [0,2,0,0,0,0|1,0,1]=4 7843 B13R1.556 C#CCOc1cc(ccc1OC)Cl 7a_100000101779_100000038162 [0,2,0,0,0,0|1,0,1]=4 7844 B13R1.556 C#CCOc1cc(ccc1OC)F 34a_100000034962_100000184674 [0,2,0,0,0,0|1,0,1]=4 7845 B13R1.556 C#CCOc1cc(ccc1OC)F 7a_100000034962_100000038162 [0,2,0,0,0,0|1,0,1]=4 7846 B13R1.556 C#CCOc1cc(ccc1OC)N 34a_100000211920_100000184674 [0,2,0,0,0,0|1,0,1]=4 7847 B13R1.556 C#CCSc1cc(ccc1OC)Br 62a_100000038162_100012351588 [0,2,0,0,0,0|1,0,1]=4 7848 B13R1.556 C#CCSc1cc(ccc1OC)C 62a_100000038162_100000186399 [0,2,0,0,0,0|1,0,1]=4 7849 B13R1.556 C#CCSc1cc(ccc1OC)Cl 62a_100000038162_100011215930 [0,2,0,0,0,0|1,0,1]=4 7850 B13R1.556 C#CCSc1cc(ccc1OC)F 62a_100000038162_100000171694 [0,2,0,0,0,0|1,0,1]=4 7851 B13R1.556 C#CCSc1cc(ccc1OC)N 62a_100000038162_100011356947 [0,2,0,0,0,0|1,0,1]=4 7852 B13R1.556 C#CCSc1cc(ccc1OC)O 62a_100000038162_100010234764 [0,2,0,0,0,0|1,0,1]=4 7853 B13R1.556 C=CCNc1cc(ccc1OC)Br 34a_100000743470_100015514636 [0,2,0,0,0,0|1,0,1]=4 7854 B13R1.556 C=CCNc1cc(ccc1OC)C 2230a_100000210980_100000210623 [0,2,0,0,0,0|1,0,1]=4 7855 B13R1.556 C=CCNc1cc(ccc1OC)C 34a_100000210980_100015514636 [0,2,0,0,0,0|1,0,1]=4 7856 B13R1.556 C=CCNc1cc(ccc1OC)Cl 34a_100000182114_100015514636 [0,2,0,0,0,0|1,0,1]=4 7857 B13R1.556 C=CCNc1cc(ccc1OC)F 34a_100000757179_100015514636 [0,2,0,0,0,0|1,0,1]=4 7858 B13R1.556 C=CCOc1cc(ccc1OC)Br 34a_100009816560_100015514636 [0,2,0,0,0,0|1,0,1]=4 7859 B13R1.556 C=CCOc1cc(ccc1OC)Br 7a_100009816560_100015514636 [0,2,0,0,0,0|1,0,1]=4 7860 B13R1.556 C=CCOc1cc(ccc1OC)C 34a_100011216497_100015514636 [0,2,0,0,0,0|1,0,1]=4 7861 B13R1.556 C=CCOc1cc(ccc1OC)C 7a_100011216497_100015514636 [0,2,0,0,0,0|1,0,1]=4 7862 B13R1.556 C=CCOc1cc(ccc1OC)Cl 34a_100000101779_100015514636 [0,2,0,0,0,0|1,0,1]=4 7863 B13R1.556 C=CCOc1cc(ccc1OC)Cl 7a_100000101779_100015514636 [0,2,0,0,0,0|1,0,1]=4 7864 B13R1.556 C=CCOc1cc(ccc1OC)F 34a_100000034962_100015514636 [0,2,0,0,0,0|1,0,1]=4 7865 B13R1.556 C=CCOc1cc(ccc1OC)F 7a_100000034962_100015514636 [0,2,0,0,0,0|1,0,1]=4 7866 B13R1.556 C=CCOc1cc(ccc1OC)N 34a_100000211920_100015514636 [0,2,0,0,0,0|1,0,1]=4 7867 B13R1.556 C=CCSc1cc(ccc1OC)Br 62a_100000210623_100012351588 [0,2,0,0,0,0|1,0,1]=4 7868 B13R1.556 C=CCSc1cc(ccc1OC)Br 62a_100012351588_100000210623 [0,2,0,0,0,0|1,0,1]=4 7869 B13R1.556 C=CCSc1cc(ccc1OC)C 62a_100000186399_100000210623 [0,2,0,0,0,0|1,0,1]=4 7870 B13R1.556 C=CCSc1cc(ccc1OC)C 62a_100000210623_100000186399 [0,2,0,0,0,0|1,0,1]=4 7871 B13R1.556 C=CCSc1cc(ccc1OC)Cl 62a_100000210623_100011215930 [0,2,0,0,0,0|1,0,1]=4 7872 B13R1.556 C=CCSc1cc(ccc1OC)Cl 62a_100011215930_100000210623 [0,2,0,0,0,0|1,0,1]=4 7873 B13R1.556 C=CCSc1cc(ccc1OC)F 62a_100000171694_100000210623 [0,2,0,0,0,0|1,0,1]=4 7874 B13R1.556 C=CCSc1cc(ccc1OC)F 62a_100000210623_100000171694 [0,2,0,0,0,0|1,0,1]=4 7875 B13R1.556 C=CCSc1cc(ccc1OC)N 62a_100000210623_100011356947 [0,2,0,0,0,0|1,0,1]=4 7876 B13R1.556 C=CCSc1cc(ccc1OC)N 62a_100011356947_100000210623 [0,2,0,0,0,0|1,0,1]=4 7877 B13R1.556 C=CCSc1cc(ccc1OC)O 62a_100000210623_100010234764 [0,2,0,0,0,0|1,0,1]=4 7878 B13R1.556 C=CCSc1cc(ccc1OC)O 62a_100010234764_100000210623 [0,2,0,0,0,0|1,0,1]=4 7879 B13R1.556 CCCCc1cc(=O)[nH]cc1OC 271570a_100020621405_100121573661 [0,2,0,0,0,0|2,0,0]=4 7880 B13R1.556 CCCCc1cc(ccc1NC)C 271570a_100020621405_100000221369 [0,2,0,0,0,0|2,0,0]=4 7881 B13R1.556 CCCCc1cc(ccc1NC)F 271570a_100020621405_100011246292 [0,2,0,0,0,0|2,0,0]=4 7882 B13R1.556 CCCCc1cc(ccc1OC)Br 271570a_100020621405_100012351588 [0,2,0,0,0,0|1,0,0]=3 7883 B13R1.556 CCCCc1cc(ccc1OC)C 271570a_100020621405_100000186399 [0,2,0,0,0,0|1,0,0]=3 7884 B13R1.556 CCCCc1cc(ccc1OC)Cl 271570a_100020621405_100011215930 [0,2,0,0,0,0|1,0,0]=3 7885 B13R1.556 CCCCc1cc(ccc1OC)F 271570a_100020621405_100000171694 [0,2,0,0,0,0|1,0,0]=3 7886 B13R1.556 CCCCc1cc(ccc1OC)N 271570a_100020621405_100000187427 [0,2,0,0,0,0|1,0,0]=3 7887 B13R1.556 CCCCc1cc(ccc1OC)O 271570a_100020621405_100010084122 [0,2,0,0,0,0|1,0,0]=3 7888 B13R1.556 CCCCc1cc(ccc1SC)C 271570a_100020621405_200010201864 [0,2,0,0,0,0|1,1,0]=4 7889 B13R1.556 CCCCc1cc(ccc1SC)F 271570a_100020621405_100009817003 [0,2,0,0,0,0|1,1,0]=4 7890 B13R1.556 CCCCc1cc(cnc1OC)Br 271570a_100020621405_100009814608 [0,2,0,0,0,0|2,0,0]=4 7891 B13R1.556 CCCCc1cc(cnc1OC)C 271570a_100020621405_100012353929 [0,2,0,0,0,0|2,0,0]=4 7892 B13R1.556 CCCCc1cc(cnc1OC)F 271570a_100020621405_100009828472 [0,2,0,0,0,0|2,0,0]=4 7893 B13R1.556 CCCCc1cc(cnc1OC)N 271570a_100020621405_100012351452 [0,2,0,0,0,0|2,0,0]=4 7894 B13R1.556 CCCCc1cc(ncc1OC)C 271570a_100020621405_100010109759 [0,2,0,0,0,0|2,0,0]=4 7895 B13R1.556 CCCCc1nc(ccc1OC)C 271570a_100020621405_100009820875 [0,2,0,0,0,0|2,0,0]=4 7896 B13R1.556 CCCCc1nc(ccc1OC)N 271570a_100020621405_100010172607 [0,2,0,0,0,0|2,0,0]=4 7897 B13R1.556 CCCNc1cc(ccc1CC)Br 2230a_100012354963_100000210303 [0,2,0,0,0,0|2,0,0]=4 7898 B13R1.556 CCCNc1cc(ccc1CC)Br 34a_100012354963_100000210303 [0,2,0,0,0,0|2,0,0]=4 7899 B13R1.556 CCCNc1cc(ccc1CC)Br 7a_100012354963_100000210303 [0,2,0,0,0,0|2,0,0]=4 7900 B13R1.556 CCCNc1cc(ccc1CC)Cl 2230a_200012281948_100000210303 [0,2,0,0,0,0|2,0,0]=4 7901 B13R1.556 CCCNc1cc(ccc1CC)Cl 34a_200012281948_100000210303 [0,2,0,0,0,0|2,0,0]=4 7902 B13R1.556 CCCNc1cc(ccc1CC)Cl 7a_200012281948_100000210303 [0,2,0,0,0,0|2,0,0]=4 7903 B13R1.556 CCCNc1cc(ccc1OC)Br 34a_100000743470_100000210303 [0,2,0,0,0,0|1,0,0]=3 7904 B13R1.556 CCCNc1cc(ccc1OC)C 2230a_100000210980_100000210303 [0,2,0,0,0,0|1,0,0]=3 7905 B13R1.556 CCCNc1cc(ccc1OC)C 34a_100000210980_100000210303 [0,2,0,0,0,0|1,0,0]=3 7906 B13R1.556 CCCNc1cc(ccc1OC)Cl 34a_100000182114_100000210303 [0,2,0,0,0,0|1,0,0]=3 7907 B13R1.556 CCCNc1cc(ccc1OC)F 34a_100000757179_100000210303 [0,2,0,0,0,0|1,0,0]=3 7908 B13R1.556 CCCNc1cc(ccc1SC)Cl 34a_100000745667_100000210303 [0,2,0,0,0,0|1,1,0]=4 7909 B13R1.556 CCCOc1cc(ccc1NC)C 34a_100000742041_200000210301 [0,2,0,0,0,0|2,0,0]=4 7910 B13R1.556 CCCOc1cc(ccc1NC)F 27a_100102657272_200012344540 [0,2,0,0,0,0|2,0,0]=4 7911 B13R1.556 CCCOc1cc(ccc1NC)F 34a_100000687802_200000210301 [0,2,0,0,0,0|2,0,0]=4 7912 B13R1.556 CCCOc1cc(ccc1N[13CH3])C 34a_100000742041_200025704644 [0,2,0,0,0,0|2,0,0]=4 7913 B13R1.556 CCCOc1cc(ccc1N[13CH3])F 34a_100000687802_200025704644 [0,2,0,0,0,0|2,0,0]=4 7914 B13R1.556 CCCOc1cc(ccc1OC)Br 34a_100009816560_100000210303 [0,2,0,0,0,0|1,0,0]=3 7915 B13R1.556 CCCOc1cc(ccc1OC)Br 7a_100009816560_100000210303 [0,2,0,0,0,0|1,0,0]=3 7916 B13R1.556 CCCOc1cc(ccc1OC)C 34a_100011216497_100000210303 [0,2,0,0,0,0|1,0,0]=3 7917 B13R1.556 CCCOc1cc(ccc1OC)C 7a_100011216497_100000210303 [0,2,0,0,0,0|1,0,0]=3 7918 B13R1.556 CCCOc1cc(ccc1OC)Cl 34a_100000101779_100000210303 [0,2,0,0,0,0|1,0,0]=3 7919 B13R1.556 CCCOc1cc(ccc1OC)Cl 7a_100000101779_100000210303 [0,2,0,0,0,0|1,0,0]=3 7920 B13R1.556 CCCOc1cc(ccc1OC)F 34a_100000034962_100000210303 [0,2,0,0,0,0|1,0,0]=3 7921 B13R1.556 CCCOc1cc(ccc1OC)F 7a_100000034962_100000210303 [0,2,0,0,0,0|1,0,0]=3 7922 B13R1.556 CCCOc1cc(ccc1OC)N 34a_100000211920_100000210303 [0,2,0,0,0,0|1,0,0]=3 7923 B13R1.556 CCCOc1cc(ccc1SC)F 62a_200000210301_200012344540 [0,2,0,0,0,0|1,1,0]=4 7924 B13R1.556 CCCOc1cc(ccc1SC)F 62a_200012344540_200000210301 [0,2,0,0,0,0|1,1,0]=4 7925 B13R1.556 CCCOc1cc(ccc1S[13CH3])F 62a_200012344540_200025704644 [0,2,0,0,0,0|1,1,0]=4 7926 B13R1.556 CCCOc1cc(ccc1S[13CH3])F 62a_200025704644_200012344540 [0,2,0,0,0,0|1,1,0]=4 7927 B13R1.556 CCCOc1cc(cnc1OC)Br 34a_100010135713_100000210303 [0,2,0,0,0,0|2,0,0]=4 7928 B13R1.556 CCCOc1cc(ncc1OC)Br 34a_100010264082_100000210303 [0,2,0,0,0,0|2,0,0]=4 7929 B13R1.556 CCCOc1cc(ncc1OC)Cl 34a_100009849459_100000210303 [0,2,0,0,0,0|2,0,0]=4 7930 B13R1.556 CCCSc1cc(=O)[nH]cc1OC 62a_100000210303_100121573661 [0,2,0,0,0,0|2,0,0]=4 7931 B13R1.556 CCCSc1cc(=O)[nH]cc1OC 62a_100121573661_100000210303 [0,2,0,0,0,0|2,0,0]=4 7932 B13R1.556 CCCSc1cc(ccc1NC)C 62a_100000210303_100000221369 [0,2,0,0,0,0|2,0,0]=4 7933 B13R1.556 CCCSc1cc(ccc1NC)C 62a_100000221369_100000210303 [0,2,0,0,0,0|2,0,0]=4 7934 B13R1.556 CCCSc1cc(ccc1NC)F 62a_100000210303_100011246292 [0,2,0,0,0,0|2,0,0]=4 7935 B13R1.556 CCCSc1cc(ccc1NC)F 62a_100011246292_100000210303 [0,2,0,0,0,0|2,0,0]=4 7936 B13R1.556 CCCSc1cc(ccc1OC)Br 62a_100000210303_100012351588 [0,2,0,0,0,0|1,0,0]=3 7937 B13R1.556 CCCSc1cc(ccc1OC)Br 62a_100012351588_100000210303 [0,2,0,0,0,0|1,0,0]=3 7938 B13R1.556 CCCSc1cc(ccc1OC)C 62a_100000186399_100000210303 [0,2,0,0,0,0|1,0,0]=3 7939 B13R1.556 CCCSc1cc(ccc1OC)C 62a_100000210303_100000186399 [0,2,0,0,0,0|1,0,0]=3 7940 B13R1.556 CCCSc1cc(ccc1OC)Cl 62a_100000210303_100011215930 [0,2,0,0,0,0|1,0,0]=3 7941 B13R1.556 CCCSc1cc(ccc1OC)Cl 62a_100011215930_100000210303 [0,2,0,0,0,0|1,0,0]=3 7942 B13R1.556 CCCSc1cc(ccc1OC)F 62a_100000171694_100000210303 [0,2,0,0,0,0|1,0,0]=3 7943 B13R1.556 CCCSc1cc(ccc1OC)F 62a_100000210303_100000171694 [0,2,0,0,0,0|1,0,0]=3 7944 B13R1.556 CCCSc1cc(ccc1OC)N 62a_100000210303_100011356947 [0,2,0,0,0,0|1,0,0]=3 7945 B13R1.556 CCCSc1cc(ccc1OC)N 62a_100011356947_100000210303 [0,2,0,0,0,0|1,0,0]=3 7946 B13R1.556 CCCSc1cc(ccc1OC)O 62a_100000210303_100010234764 [0,2,0,0,0,0|1,0,0]=3 7947 B13R1.556 CCCSc1cc(ccc1OC)O 62a_100010234764_100000210303 [0,2,0,0,0,0|1,0,0]=3 7948 B13R1.556 CCCSc1cc(ccc1SC)C 62a_100000210303_200010201864 [0,2,0,0,0,0|1,1,0]=4 7949 B13R1.556 CCCSc1cc(ccc1SC)C 62a_200010201864_100000210303 [0,2,0,0,0,0|1,1,0]=4 7950 B13R1.556 CCCSc1cc(ccc1SC)F 62a_100000210303_100009817003 [0,2,0,0,0,0|1,1,0]=4 7951 B13R1.556 CCCSc1cc(ccc1SC)F 62a_100009817003_100000210303 [0,2,0,0,0,0|1,1,0]=4 7952 B13R1.556 CCCSc1cc(cnc1OC)Br 62a_100000210303_100009814608 [0,2,0,0,0,0|2,0,0]=4 7953 B13R1.556 CCCSc1cc(cnc1OC)Br 62a_100009814608_100000210303 [0,2,0,0,0,0|2,0,0]=4 7954 B13R1.556 CCCSc1cc(cnc1OC)C 62a_100000210303_100012353929 [0,2,0,0,0,0|2,0,0]=4 7955 B13R1.556 CCCSc1cc(cnc1OC)C 62a_100012353929_100000210303 [0,2,0,0,0,0|2,0,0]=4 7956 B13R1.556 CCCSc1cc(cnc1OC)F 62a_100000210303_100009828472 [0,2,0,0,0,0|2,0,0]=4 7957 B13R1.556 CCCSc1cc(cnc1OC)F 62a_100009828472_100000210303 [0,2,0,0,0,0|2,0,0]=4 7958 B13R1.556 CCCSc1cc(cnc1OC)N 62a_100000210303_100012351452 [0,2,0,0,0,0|2,0,0]=4 7959 B13R1.556 CCCSc1cc(cnc1OC)N 62a_100012351452_100000210303 [0,2,0,0,0,0|2,0,0]=4 7960 B13R1.556 CCCSc1cc(ncc1OC)C 62a_100000210303_100010109759 [0,2,0,0,0,0|2,0,0]=4 7961 B13R1.556 CCCSc1cc(ncc1OC)C 62a_100010109759_100000210303 [0,2,0,0,0,0|2,0,0]=4 7962 B13R1.556 CCCSc1nc(ccc1OC)C 62a_100000210303_100009820875 [0,2,0,0,0,0|2,0,0]=4 7963 B13R1.556 CCCSc1nc(ccc1OC)C 62a_100009820875_100000210303 [0,2,0,0,0,0|2,0,0]=4 7964 B13R1.556 CCCSc1nc(ccc1OC)N 62a_100000210303_100010172607 [0,2,0,0,0,0|2,0,0]=4 7965 B13R1.556 CCCSc1nc(ccc1OC)N 62a_100010172607_100000210303 [0,2,0,0,0,0|2,0,0]=4 7966 B13R1.556 CCNCc1cc(ccc1OC)Br 207a_100015525214_100000170026 [0,2,0,0,0,0|1,0,0]=3 7967 B13R1.556 CCNCc1cc(ccc1OC)Br 2230a_100015525214_100000204665 [0,2,0,0,0,0|1,0,0]=3 7968 B13R1.556 CCNCc1cc(ccc1OC)Br 270004a_100015525214_100000170026 [0,2,0,0,0,0|1,0,0]=3 7969 B13R1.556 CCNCc1cc(ccc1OC)Br 34a_100000690498_100000210202 [0,2,0,0,0,0|1,0,0]=3 7970 B13R1.556 CCNCc1cc(ccc1OC)Br 34a_100000765307_200000210301 [0,2,0,0,0,0|1,0,0]=3 7971 B13R1.556 CCNCc1cc(ccc1OC)Br 7a_100000765307_200000210301 [0,2,0,0,0,0|1,0,0]=3 7972 B13R1.556 CCNCc1cc(ccc1OC)C 207a_100015525214_100000203738 [0,2,0,0,0,0|1,0,0]=3 7973 B13R1.556 CCNCc1cc(ccc1OC)C 2230a_100015525214_100000199068 [0,2,0,0,0,0|1,0,0]=3 7974 B13R1.556 CCNCc1cc(ccc1OC)C 270004a_100015525214_100000203738 [0,2,0,0,0,0|1,0,0]=3 7975 B13R1.556 CCNCc1cc(ccc1OC)Cl 207a_100015525214_100000188328 [0,2,0,0,0,0|1,0,0]=3 7976 B13R1.556 CCNCc1cc(ccc1OC)Cl 2230a_100000740580_100000210202 [0,2,0,0,0,0|1,0,0]=3 7977 B13R1.556 CCNCc1cc(ccc1OC)Cl 2230a_100015525214_100000209806 [0,2,0,0,0,0|1,0,0]=3 7978 B13R1.556 CCNCc1cc(ccc1OC)Cl 270004a_100015525214_100000188328 [0,2,0,0,0,0|1,0,0]=3 7979 B13R1.556 CCNCc1cc(ccc1OC)Cl 34a_100000740580_100000210202 [0,2,0,0,0,0|1,0,0]=3 7980 B13R1.556 CCNCc1cc(ccc1OC)Cl 34a_100011223571_200000210301 [0,2,0,0,0,0|1,0,0]=3 7981 B13R1.556 CCNCc1cc(ccc1OC)Cl 7a_100011223571_200000210301 [0,2,0,0,0,0|1,0,0]=3 7982 B13R1.556 CCNCc1cc(ccc1OC)F 207a_100015525214_100000722865 [0,2,0,0,0,0|1,0,0]=3 7983 B13R1.556 CCNCc1cc(ccc1OC)F 2230a_100015525214_100011830354 [0,2,0,0,0,0|1,0,0]=3 7984 B13R1.556 CCNCc1cc(ccc1OC)F 270004a_100015525214_100000722865 [0,2,0,0,0,0|1,0,0]=3 7985 B13R1.556 CCNCc1cc(ccc1OC)F 34a_100011199032_100000210202 [0,2,0,0,0,0|1,0,0]=3 7986 B13R1.556 CCNCc1cc(ccc1OC)F 34a_100012769503_200000210301 [0,2,0,0,0,0|1,0,0]=3 7987 B13R1.556 CCNCc1cc(ccc1OC)F 7a_100012769503_200000210301 [0,2,0,0,0,0|1,0,0]=3 7988 B13R1.556 CCNCc1cc(ccc1OC)I 207a_100015525214_100011266407 [0,2,0,0,0,0|1,0,0]=3 7989 B13R1.556 CCNCc1cc(ccc1OC)I 270004a_100015525214_100011266407 [0,2,0,0,0,0|1,0,0]=3 7990 B13R1.556 CCNCc1cc(ccc1OC)O 207a_100015525214_100000067581 [0,2,0,0,0,0|1,0,0]=3 7991 B13R1.556 CCNCc1cc(ccc1OC)O 271570a_203496583355_100015182949 [0,2,0,0,0,0|1,0,0]=3 7992 B13R1.556 CCNCc1cc(ccc1O[13CH3])Br 34a_100000765307_200025704644 [0,2,0,0,0,0|1,0,0]=3 7993 B13R1.556 CCNCc1cc(ccc1O[13CH3])Br 7a_100000765307_200025704644 [0,2,0,0,0,0|1,0,0]=3 7994 B13R1.556 CCNCc1cc(ccc1O[13CH3])Cl 34a_100011223571_200025704644 [0,2,0,0,0,0|1,0,0]=3 7995 B13R1.556 CCNCc1cc(ccc1O[13CH3])Cl 7a_100011223571_200025704644 [0,2,0,0,0,0|1,0,0]=3 7996 B13R1.556 CCNCc1cc(ccc1O[13CH3])F 34a_100012769503_200025704644 [0,2,0,0,0,0|1,0,0]=3 7997 B13R1.556 CCNCc1cc(ccc1O[13CH3])F 7a_100012769503_200025704644 [0,2,0,0,0,0|1,0,0]=3 7998 B13R1.556 CCNCc1cc(cnc1OC)Br 207a_100015525214_100009814609 [0,2,0,0,0,0|2,0,0]=4 7999 B13R1.556 CCNCc1cc(cnc1OC)Br 2230a_100015525214_100010065838 [0,2,0,0,0,0|2,0,0]=4 8000 B13R1.556 CCNCc1cc(cnc1OC)Br 270004a_100015525214_100009814609 [0,2,0,0,0,0|2,0,0]=4 8001 B13R1.556 CCNCc1cc(cnc1OC)C 207a_100015525214_100000118322 [0,2,0,0,0,0|2,0,0]=4 8002 B13R1.556 CCNCc1cc(cnc1OC)C 270004a_100015525214_100000118322 [0,2,0,0,0,0|2,0,0]=4 8003 B13R1.556 CCNCc1cc(cnc1OC)F 207a_100015525214_100000081817 [0,2,0,0,0,0|2,0,0]=4 8004 B13R1.556 CCNCc1cc(cnc1OC)F 270004a_100015525214_100000081817 [0,2,0,0,0,0|2,0,0]=4 8005 B13R1.556 CCNCc1nc(ccc1OC)Br 270004a_100015525214_200010137984 [0,2,0,0,0,0|2,0,0]=4 8006 B13R1.556 CCOCc1cc(ccc1CC)Br 34a_100010766240_100000210202 [0,2,0,0,0,0|2,0,0]=4 8007 B13R1.556 CCOCc1cc(ccc1CC)Br 7a_100010766240_100000210202 [0,2,0,0,0,0|2,0,0]=4 8008 B13R1.556 CCOCc1cc(ccc1OC)Br 34a_100000204679_100000210202 [0,2,0,0,0,0|1,0,0]=3 8009 B13R1.556 CCOCc1cc(ccc1OC)Br 34a_100121572206_100000204665 [0,2,0,0,0,0|1,0,0]=3 8010 B13R1.556 CCOCc1cc(ccc1OC)Br 7a_100000204679_100000210202 [0,2,0,0,0,0|1,0,0]=3 8011 B13R1.556 CCOCc1cc(ccc1OC)C 34a_100121572206_100000199068 [0,2,0,0,0,0|1,0,0]=3 8012 B13R1.556 CCOCc1cc(ccc1OC)C 34a_200000246444_100000210202 [0,2,0,0,0,0|1,0,0]=3 8013 B13R1.556 CCOCc1cc(ccc1OC)C 7a_200000246444_100000210202 [0,2,0,0,0,0|1,0,0]=3 8014 B13R1.556 CCOCc1cc(ccc1OC)Cl 34a_100121572206_100000209806 [0,2,0,0,0,0|1,0,0]=3 8015 B13R1.556 CCOCc1cc(ccc1OC)F 34a_100011266440_100000210202 [0,2,0,0,0,0|1,0,0]=3 8016 B13R1.556 CCOCc1cc(ccc1OC)F 34a_100121572206_100011830354 [0,2,0,0,0,0|1,0,0]=3 8017 B13R1.556 CCOCc1cc(ccc1OC)F 7a_100011266440_100000210202 [0,2,0,0,0,0|1,0,0]=3 8018 B13R1.556 CCOCc1cc(ccc1OC)I 34a_200137411115_100000210202 [0,2,0,0,0,0|1,0,0]=3 8019 B13R1.556 CCOCc1cc(ccc1OC)I 7a_200137411115_100000210202 [0,2,0,0,0,0|1,0,0]=3 8020 B13R1.556 CCOCc1cc(cnc1OC)Br 34a_100000695684_100000210202 [0,2,0,0,0,0|2,0,0]=4 8021 B13R1.556 CCOCc1cc(cnc1OC)Br 34a_100121572206_100010065838 [0,2,0,0,0,0|2,0,0]=4 8022 B13R1.556 CCOCc1cc(cnc1OC)F 34a_100011997213_100000210202 [0,2,0,0,0,0|2,0,0]=4 8023 B13R1.556 CCSCc1cc(ccc1OC)Br 62a_100000204665_100000210202 [0,2,0,0,0,0|1,0,0]=3 8024 B13R1.556 CCSCc1cc(ccc1OC)Br 62a_100000210202_100000204665 [0,2,0,0,0,0|1,0,0]=3 8025 B13R1.556 CCSCc1cc(ccc1OC)C 62a_100000199068_100000210202 [0,2,0,0,0,0|1,0,0]=3 8026 B13R1.556 CCSCc1cc(ccc1OC)C 62a_100000210202_100000199068 [0,2,0,0,0,0|1,0,0]=3 8027 B13R1.556 CCSCc1cc(ccc1OC)Cl 62a_100000209806_100000210202 [0,2,0,0,0,0|1,0,0]=3 8028 B13R1.556 CCSCc1cc(ccc1OC)Cl 62a_100000210202_100000209806 [0,2,0,0,0,0|1,0,0]=3 8029 B13R1.556 CCSCc1cc(ccc1OC)F 62a_100000210202_100011830354 [0,2,0,0,0,0|1,0,0]=3 8030 B13R1.556 CCSCc1cc(ccc1OC)F 62a_100011830354_100000210202 [0,2,0,0,0,0|1,0,0]=3 8031 B13R1.556 CCSCc1cc(cnc1OC)Br 62a_100000210202_100010065838 [0,2,0,0,0,0|2,0,0]=4 8032 B13R1.556 CCSCc1cc(cnc1OC)Br 62a_100010065838_100000210202 [0,2,0,0,0,0|2,0,0]=4 8033 B13R1.556 CCc1ccc(cc1COCF)Br 34a_100010766240_100015361967 [0,2,0,0,0,0|2,0,0]=4 8034 B13R1.556 CCc1ccc(cc1COCF)Br 7a_100010766240_100015361967 [0,2,0,0,0,0|2,0,0]=4 8035 B13R1.556 CCc1ccc(cc1NCCF)Br 2230a_100012354963_100011217306 [0,2,0,0,0,0|2,0,0]=4 8036 B13R1.556 CCc1ccc(cc1NCCF)Br 34a_100012354963_100011217306 [0,2,0,0,0,0|2,0,0]=4 8037 B13R1.556 CCc1ccc(cc1NCCF)Br 7a_100012354963_100011217306 [0,2,0,0,0,0|2,0,0]=4 8038 B13R1.556 CCc1ccc(cc1NCCF)Cl 2230a_200012281948_100011217306 [0,2,0,0,0,0|2,0,0]=4 8039 B13R1.556 CCc1ccc(cc1NCCF)Cl 34a_200012281948_100011217306 [0,2,0,0,0,0|2,0,0]=4 8040 B13R1.556 CCc1ccc(cc1NCCF)Cl 7a_200012281948_100011217306 [0,2,0,0,0,0|2,0,0]=4 8041 B13R1.556 CCc1ccc(cc1NCCO)Br 2230a_100012354963_100000211926 [0,2,0,0,0,0|2,0,0]=4 8042 B13R1.556 CCc1ccc(cc1NCCO)Br 34a_100012354963_100000211926 [0,2,0,0,0,0|2,0,0]=4 8043 B13R1.556 CCc1ccc(cc1NCCO)Br 7a_100012354963_100000211926 [0,2,0,0,0,0|2,0,0]=4 8044 B13R1.556 CCc1ccc(cc1NCCO)Cl 2230a_200012281948_100000211926 [0,2,0,0,0,0|2,0,0]=4 8045 B13R1.556 CCc1ccc(cc1NCCO)Cl 34a_200012281948_100000211926 [0,2,0,0,0,0|2,0,0]=4 8046 B13R1.556 CCc1ccc(cc1NCCO)Cl 7a_200012281948_100000211926 [0,2,0,0,0,0|2,0,0]=4 8047 B13R1.556 CNCCc1cc(ccc1OC)Br 2230a_100000763266_200000210301 [0,2,0,0,0,0|0,0,0]=2 8048 B13R1.556 CNCCc1cc(ccc1OC)Br 34a_100000763266_200000210301 [0,2,0,0,0,0|0,0,0]=2 8049 B13R1.556 CNc1ccc(cc1SCCF)C 62a_100000221369_100011217306 [0,2,0,0,0,0|2,0,0]=4 8050 B13R1.556 CNc1ccc(cc1SCCF)C 62a_100011217306_100000221369 [0,2,0,0,0,0|2,0,0]=4 8051 B13R1.556 CNc1ccc(cc1SCCF)F 62a_100011217306_100011246292 [0,2,0,0,0,0|2,0,0]=4 8052 B13R1.556 CNc1ccc(cc1SCCF)F 62a_100011246292_100011217306 [0,2,0,0,0,0|2,0,0]=4 8053 B13R1.556 CNc1ccc(cc1SCCO)C 62a_100000211926_100000221369 [0,2,0,0,0,0|2,0,0]=4 8054 B13R1.556 CNc1ccc(cc1SCCO)C 62a_100000221369_100000211926 [0,2,0,0,0,0|2,0,0]=4 8055 B13R1.556 CNc1ccc(cc1SCCO)F 62a_100000211926_100011246292 [0,2,0,0,0,0|2,0,0]=4 8056 B13R1.556 CNc1ccc(cc1SCCO)F 62a_100011246292_100000211926 [0,2,0,0,0,0|2,0,0]=4 8057 B13R1.556 COCNc1cc(ccc1OC)C 2230a_100000210980_100000766300 [0,2,0,0,0,0|2,0,0]=4 8058 B13R1.556 COCSc1cc(ccc1OC)Br 62a_100000766300_100012351588 [0,2,0,0,0,0|2,0,0]=4 8059 B13R1.556 COCSc1cc(ccc1OC)Br 62a_100012351588_100000766300 [0,2,0,0,0,0|2,0,0]=4 8060 B13R1.556 COCSc1cc(ccc1OC)C 62a_100000186399_100000766300 [0,2,0,0,0,0|2,0,0]=4 8061 B13R1.556 COCSc1cc(ccc1OC)C 62a_100000766300_100000186399 [0,2,0,0,0,0|2,0,0]=4 8062 B13R1.556 COCSc1cc(ccc1OC)Cl 62a_100000766300_100011215930 [0,2,0,0,0,0|2,0,0]=4 8063 B13R1.556 COCSc1cc(ccc1OC)Cl 62a_100011215930_100000766300 [0,2,0,0,0,0|2,0,0]=4 8064 B13R1.556 COCSc1cc(ccc1OC)F 62a_100000171694_100000766300 [0,2,0,0,0,0|2,0,0]=4 8065 B13R1.556 COCSc1cc(ccc1OC)F 62a_100000766300_100000171694 [0,2,0,0,0,0|2,0,0]=4 8066 B13R1.556 COCSc1cc(ccc1OC)N 62a_100000766300_100011356947 [0,2,0,0,0,0|2,0,0]=4 8067 B13R1.556 COCSc1cc(ccc1OC)N 62a_100011356947_100000766300 [0,2,0,0,0,0|2,0,0]=4 8068 B13R1.556 COCSc1cc(ccc1OC)O 62a_100000766300_100010234764 [0,2,0,0,0,0|2,0,0]=4 8069 B13R1.556 COCSc1cc(ccc1OC)O 62a_100010234764_100000766300 [0,2,0,0,0,0|2,0,0]=4 8070 B13R1.556 COc1c[nH]c(=O)cc1SCCF 62a_100011217306_100121573661 [0,2,0,0,0,0|2,0,0]=4 8071 B13R1.556 COc1c[nH]c(=O)cc1SCCF 62a_100121573661_100011217306 [0,2,0,0,0,0|2,0,0]=4 8072 B13R1.556 COc1c[nH]c(=O)cc1SCCO 62a_100000211926_100121573661 [0,2,0,0,0,0|2,0,0]=4 8073 B13R1.556 COc1c[nH]c(=O)cc1SCCO 62a_100121573661_100000211926 [0,2,0,0,0,0|2,0,0]=4 8074 B13R1.556 COc1ccc(cc1CCN[13CH3])Br 2230a_100000763266_200025704644 [0,2,0,0,0,0|0,0,0]=2 8075 B13R1.556 COc1ccc(cc1CCN[13CH3])Br 34a_100000763266_200025704644 [0,2,0,0,0,0|0,0,0]=2 8076 B13R1.556 COc1ccc(cc1CNCF)Br 34a_100000690498_100015361967 [0,2,0,0,0,0|1,0,0]=3 8077 B13R1.556 COc1ccc(cc1CNCF)Cl 34a_100000740580_100015361967 [0,2,0,0,0,0|1,0,0]=3 8078 B13R1.556 COc1ccc(cc1CNCF)F 34a_100011199032_100015361967 [0,2,0,0,0,0|1,0,0]=3 8079 B13R1.556 COc1ccc(cc1COCF)Br 34a_100000204679_100015361967 [0,2,0,0,0,0|1,0,0]=3 8080 B13R1.556 COc1ccc(cc1COCF)Br 7a_100000204679_100015361967 [0,2,0,0,0,0|1,0,0]=3 8081 B13R1.556 COc1ccc(cc1COCF)C 34a_200000246444_100015361967 [0,2,0,0,0,0|1,0,0]=3 8082 B13R1.556 COc1ccc(cc1COCF)C 7a_200000246444_100015361967 [0,2,0,0,0,0|1,0,0]=3 8083 B13R1.556 COc1ccc(cc1COCF)F 34a_100011266440_100015361967 [0,2,0,0,0,0|1,0,0]=3 8084 B13R1.556 COc1ccc(cc1COCF)F 7a_100011266440_100015361967 [0,2,0,0,0,0|1,0,0]=3 8085 B13R1.556 COc1ccc(cc1COCF)I 34a_200137411115_100015361967 [0,2,0,0,0,0|1,0,0]=3 8086 B13R1.556 COc1ccc(cc1COCF)I 7a_200137411115_100015361967 [0,2,0,0,0,0|1,0,0]=3 8087 B13R1.556 COc1ccc(cc1CSCF)Br 62a_100000204665_100015361967 [0,2,0,0,0,0|1,0,0]=3 8088 B13R1.556 COc1ccc(cc1CSCF)Br 62a_100015361967_100000204665 [0,2,0,0,0,0|1,0,0]=3 8089 B13R1.556 COc1ccc(cc1CSCF)C 62a_100000199068_100015361967 [0,2,0,0,0,0|1,0,0]=3 8090 B13R1.556 COc1ccc(cc1CSCF)C 62a_100015361967_100000199068 [0,2,0,0,0,0|1,0,0]=3 8091 B13R1.556 COc1ccc(cc1CSCF)Cl 62a_100000209806_100015361967 [0,2,0,0,0,0|1,0,0]=3 8092 B13R1.556 COc1ccc(cc1CSCF)Cl 62a_100015361967_100000209806 [0,2,0,0,0,0|1,0,0]=3 8093 B13R1.556 COc1ccc(cc1CSCF)F 62a_100011830354_100015361967 [0,2,0,0,0,0|1,0,0]=3 8094 B13R1.556 COc1ccc(cc1CSCF)F 62a_100015361967_100011830354 [0,2,0,0,0,0|1,0,0]=3 8095 B13R1.556 COc1ccc(cc1NCC#N)C 2230a_100000210980_100011215382 [0,2,0,0,0,0|0,0,2]=4 8096 B13R1.556 COc1ccc(cc1NCC=O)Br 34a_100000743470_200009817547 [0,2,0,0,0,0|1,0,1]=4 8097 B13R1.556 COc1ccc(cc1NCC=O)C 2230a_100000210980_200015260668 [0,2,0,0,0,0|1,0,1]=4 8098 B13R1.556 COc1ccc(cc1NCC=O)C 34a_100000210980_200009817547 [0,2,0,0,0,0|1,0,1]=4 8099 B13R1.556 COc1ccc(cc1NCC=O)Cl 34a_100000182114_200009817547 [0,2,0,0,0,0|1,0,1]=4 8100 B13R1.556 COc1ccc(cc1NCC=O)F 34a_100000757179_200009817547 [0,2,0,0,0,0|1,0,1]=4 8101 B13R1.556 COc1ccc(cc1NCCF)Br 34a_100000743470_100011217306 [0,2,0,0,0,0|1,0,0]=3 8102 B13R1.556 COc1ccc(cc1NCCF)C 2230a_100000210980_100011217306 [0,2,0,0,0,0|1,0,0]=3 8103 B13R1.556 COc1ccc(cc1NCCF)C 34a_100000210980_100011217306 [0,2,0,0,0,0|1,0,0]=3 8104 B13R1.556 COc1ccc(cc1NCCF)Cl 34a_100000182114_100011217306 [0,2,0,0,0,0|1,0,0]=3 8105 B13R1.556 COc1ccc(cc1NCCF)F 34a_100000757179_100011217306 [0,2,0,0,0,0|1,0,0]=3 8106 B13R1.556 COc1ccc(cc1NCCO)Br 34a_100000743470_100000211926 [0,2,0,0,0,0|1,0,0]=3 8107 B13R1.556 COc1ccc(cc1NCCO)C 2230a_100000210980_100000211926 [0,2,0,0,0,0|1,0,0]=3 8108 B13R1.556 COc1ccc(cc1NCCO)C 34a_100000210980_100000211926 [0,2,0,0,0,0|1,0,0]=3 8109 B13R1.556 COc1ccc(cc1NCCO)Cl 34a_100000182114_100000211926 [0,2,0,0,0,0|1,0,0]=3 8110 B13R1.556 COc1ccc(cc1NCCO)F 34a_100000757179_100000211926 [0,2,0,0,0,0|1,0,0]=3 8111 B13R1.556 COc1ccc(cc1NCSC)Br 34a_100000743470_100011218213 [0,2,0,0,0,0|2,0,0]=4 8112 B13R1.556 COc1ccc(cc1NCSC)C 2230a_100000210980_100011218213 [0,2,0,0,0,0|2,0,0]=4 8113 B13R1.556 COc1ccc(cc1NCSC)C 34a_100000210980_100011218213 [0,2,0,0,0,0|2,0,0]=4 8114 B13R1.556 COc1ccc(cc1NCSC)Cl 34a_100000182114_100011218213 [0,2,0,0,0,0|2,0,0]=4 8115 B13R1.556 COc1ccc(cc1NCSC)F 34a_100000757179_100011218213 [0,2,0,0,0,0|2,0,0]=4 8116 B13R1.556 COc1ccc(cc1OCC#N)Br 7a_100009816560_100011215382 [0,2,0,0,0,0|0,0,2]=4 8117 B13R1.556 COc1ccc(cc1OCC#N)C 7a_100011216497_100011215382 [0,2,0,0,0,0|0,0,2]=4 8118 B13R1.556 COc1ccc(cc1OCC#N)Cl 7a_100000101779_100011215382 [0,2,0,0,0,0|0,0,2]=4 8119 B13R1.556 COc1ccc(cc1OCC#N)F 7a_100000034962_100011215382 [0,2,0,0,0,0|0,0,2]=4 8120 B13R1.556 COc1ccc(cc1OCC#N)O 271570a_203496583355_200010203062 [0,2,0,0,0,0|0,0,2]=4 8121 B13R1.556 COc1ccc(cc1OCC=O)Br 34a_100009816560_200009817547 [0,2,0,0,0,0|1,0,1]=4 8122 B13R1.556 COc1ccc(cc1OCC=O)Br 7a_100009816560_200015260668 [0,2,0,0,0,0|1,0,1]=4 8123 B13R1.556 COc1ccc(cc1OCC=O)C 34a_100011216497_200009817547 [0,2,0,0,0,0|1,0,1]=4 8124 B13R1.556 COc1ccc(cc1OCC=O)C 7a_100011216497_200015260668 [0,2,0,0,0,0|1,0,1]=4 8125 B13R1.556 COc1ccc(cc1OCC=O)Cl 34a_100000101779_200009817547 [0,2,0,0,0,0|1,0,1]=4 8126 B13R1.556 COc1ccc(cc1OCC=O)Cl 7a_100000101779_200015260668 [0,2,0,0,0,0|1,0,1]=4 8127 B13R1.556 COc1ccc(cc1OCC=O)F 34a_100000034962_200009817547 [0,2,0,0,0,0|1,0,1]=4 8128 B13R1.556 COc1ccc(cc1OCC=O)F 7a_100000034962_200015260668 [0,2,0,0,0,0|1,0,1]=4 8129 B13R1.556 COc1ccc(cc1OCC=O)N 34a_100000211920_200009817547 [0,2,0,0,0,0|1,0,1]=4 8130 B13R1.556 COc1ccc(cc1OCCF)Br 34a_100009816560_100011217306 [0,2,0,0,0,0|1,0,0]=3 8131 B13R1.556 COc1ccc(cc1OCCF)Br 7a_100009816560_100011217306 [0,2,0,0,0,0|1,0,0]=3 8132 B13R1.556 COc1ccc(cc1OCCF)C 34a_100011216497_100011217306 [0,2,0,0,0,0|1,0,0]=3 8133 B13R1.556 COc1ccc(cc1OCCF)C 7a_100011216497_100011217306 [0,2,0,0,0,0|1,0,0]=3 8134 B13R1.556 COc1ccc(cc1OCCF)Cl 34a_100000101779_100011217306 [0,2,0,0,0,0|1,0,0]=3 8135 B13R1.556 COc1ccc(cc1OCCF)Cl 7a_100000101779_100011217306 [0,2,0,0,0,0|1,0,0]=3 8136 B13R1.556 COc1ccc(cc1OCCF)F 34a_100000034962_100011217306 [0,2,0,0,0,0|1,0,0]=3 8137 B13R1.556 COc1ccc(cc1OCCF)F 7a_100000034962_100011217306 [0,2,0,0,0,0|1,0,0]=3 8138 B13R1.556 COc1ccc(cc1OCCF)N 34a_100000211920_100011217306 [0,2,0,0,0,0|1,0,0]=3 8139 B13R1.556 COc1ccc(cc1OCCO)Br 34a_100009816560_100000211926 [0,2,0,0,0,0|1,0,0]=3 8140 B13R1.556 COc1ccc(cc1OCCO)Br 7a_100009816560_100000211926 [0,2,0,0,0,0|1,0,0]=3 8141 B13R1.556 COc1ccc(cc1OCCO)C 34a_100011216497_100000211926 [0,2,0,0,0,0|1,0,0]=3 8142 B13R1.556 COc1ccc(cc1OCCO)C 7a_100011216497_100000211926 [0,2,0,0,0,0|1,0,0]=3 8143 B13R1.556 COc1ccc(cc1OCCO)Cl 34a_100000101779_100000211926 [0,2,0,0,0,0|1,0,0]=3 8144 B13R1.556 COc1ccc(cc1OCCO)Cl 7a_100000101779_100000211926 [0,2,0,0,0,0|1,0,0]=3 8145 B13R1.556 COc1ccc(cc1OCCO)F 34a_100000034962_100000211926 [0,2,0,0,0,0|1,0,0]=3 8146 B13R1.556 COc1ccc(cc1OCCO)F 7a_100000034962_100000211926 [0,2,0,0,0,0|1,0,0]=3 8147 B13R1.556 COc1ccc(cc1OCCO)N 34a_100000211920_100000211926 [0,2,0,0,0,0|1,0,0]=3 8148 B13R1.556 COc1ccc(cc1OCSC)Br 34a_100009816560_100011218213 [0,2,0,0,0,0|2,0,0]=4 8149 B13R1.556 COc1ccc(cc1OCSC)C 34a_100011216497_100011218213 [0,2,0,0,0,0|2,0,0]=4 8150 B13R1.556 COc1ccc(cc1OCSC)Cl 34a_100000101779_100011218213 [0,2,0,0,0,0|2,0,0]=4 8151 B13R1.556 COc1ccc(cc1OCSC)F 34a_100000034962_100011218213 [0,2,0,0,0,0|2,0,0]=4 8152 B13R1.556 COc1ccc(cc1OCSC)N 34a_100000211920_100011218213 [0,2,0,0,0,0|2,0,0]=4 8153 B13R1.556 COc1ccc(cc1SCC#N)Br 62a_100011215382_100012351588 [0,2,0,0,0,0|0,0,2]=4 8154 B13R1.556 COc1ccc(cc1SCC#N)Br 62a_100012351588_100011215382 [0,2,0,0,0,0|0,0,2]=4 8155 B13R1.556 COc1ccc(cc1SCC#N)C 62a_100000186399_100011215382 [0,2,0,0,0,0|0,0,2]=4 8156 B13R1.556 COc1ccc(cc1SCC#N)C 62a_100011215382_100000186399 [0,2,0,0,0,0|0,0,2]=4 8157 B13R1.556 COc1ccc(cc1SCC#N)Cl 62a_100011215382_100011215930 [0,2,0,0,0,0|0,0,2]=4 8158 B13R1.556 COc1ccc(cc1SCC#N)Cl 62a_100011215930_100011215382 [0,2,0,0,0,0|0,0,2]=4 8159 B13R1.556 COc1ccc(cc1SCC#N)F 62a_100000171694_100011215382 [0,2,0,0,0,0|0,0,2]=4 8160 B13R1.556 COc1ccc(cc1SCC#N)F 62a_100011215382_100000171694 [0,2,0,0,0,0|0,0,2]=4 8161 B13R1.556 COc1ccc(cc1SCC#N)N 62a_100011215382_100011356947 [0,2,0,0,0,0|0,0,2]=4 8162 B13R1.556 COc1ccc(cc1SCC#N)N 62a_100011356947_100011215382 [0,2,0,0,0,0|0,0,2]=4 8163 B13R1.556 COc1ccc(cc1SCC#N)O 62a_100010234764_100011215382 [0,2,0,0,0,0|0,0,2]=4 8164 B13R1.556 COc1ccc(cc1SCC#N)O 62a_100011215382_100010234764 [0,2,0,0,0,0|0,0,2]=4 8165 B13R1.556 COc1ccc(cc1SCC=O)Br 62a_100012351588_200015260668 [0,2,0,0,0,0|1,0,1]=4 8166 B13R1.556 COc1ccc(cc1SCC=O)Br 62a_200015260668_100012351588 [0,2,0,0,0,0|1,0,1]=4 8167 B13R1.556 COc1ccc(cc1SCC=O)C 62a_100000186399_200015260668 [0,2,0,0,0,0|1,0,1]=4 8168 B13R1.556 COc1ccc(cc1SCC=O)C 62a_200015260668_100000186399 [0,2,0,0,0,0|1,0,1]=4 8169 B13R1.556 COc1ccc(cc1SCC=O)Cl 62a_100011215930_200015260668 [0,2,0,0,0,0|1,0,1]=4 8170 B13R1.556 COc1ccc(cc1SCC=O)Cl 62a_200015260668_100011215930 [0,2,0,0,0,0|1,0,1]=4 8171 B13R1.556 COc1ccc(cc1SCC=O)F 62a_100000171694_200015260668 [0,2,0,0,0,0|1,0,1]=4 8172 B13R1.556 COc1ccc(cc1SCC=O)F 62a_200015260668_100000171694 [0,2,0,0,0,0|1,0,1]=4 8173 B13R1.556 COc1ccc(cc1SCC=O)N 62a_100011356947_200015260668 [0,2,0,0,0,0|1,0,1]=4 8174 B13R1.556 COc1ccc(cc1SCC=O)N 62a_200015260668_100011356947 [0,2,0,0,0,0|1,0,1]=4 8175 B13R1.556 COc1ccc(cc1SCC=O)O 62a_100010234764_200015260668 [0,2,0,0,0,0|1,0,1]=4 8176 B13R1.556 COc1ccc(cc1SCC=O)O 62a_200015260668_100010234764 [0,2,0,0,0,0|1,0,1]=4 8177 B13R1.556 COc1ccc(cc1SCCF)Br 62a_100011217306_100012351588 [0,2,0,0,0,0|1,0,0]=3 8178 B13R1.556 COc1ccc(cc1SCCF)Br 62a_100012351588_100011217306 [0,2,0,0,0,0|1,0,0]=3 8179 B13R1.556 COc1ccc(cc1SCCF)C 62a_100000186399_100011217306 [0,2,0,0,0,0|1,0,0]=3 8180 B13R1.556 COc1ccc(cc1SCCF)C 62a_100011217306_100000186399 [0,2,0,0,0,0|1,0,0]=3 8181 B13R1.556 COc1ccc(cc1SCCF)Cl 62a_100011215930_100011217306 [0,2,0,0,0,0|1,0,0]=3 8182 B13R1.556 COc1ccc(cc1SCCF)Cl 62a_100011217306_100011215930 [0,2,0,0,0,0|1,0,0]=3 8183 B13R1.556 COc1ccc(cc1SCCF)F 62a_100000171694_100011217306 [0,2,0,0,0,0|1,0,0]=3 8184 B13R1.556 COc1ccc(cc1SCCF)F 62a_100011217306_100000171694 [0,2,0,0,0,0|1,0,0]=3 8185 B13R1.556 COc1ccc(cc1SCCF)N 62a_100011217306_100011356947 [0,2,0,0,0,0|1,0,0]=3 8186 B13R1.556 COc1ccc(cc1SCCF)N 62a_100011356947_100011217306 [0,2,0,0,0,0|1,0,0]=3 8187 B13R1.556 COc1ccc(cc1SCCF)O 62a_100010234764_100011217306 [0,2,0,0,0,0|1,0,0]=3 8188 B13R1.556 COc1ccc(cc1SCCF)O 62a_100011217306_100010234764 [0,2,0,0,0,0|1,0,0]=3 8189 B13R1.556 COc1ccc(cc1SCCO)Br 62a_100000211926_100012351588 [0,2,0,0,0,0|1,0,0]=3 8190 B13R1.556 COc1ccc(cc1SCCO)Br 62a_100012351588_100000211926 [0,2,0,0,0,0|1,0,0]=3 8191 B13R1.556 COc1ccc(cc1SCCO)C 62a_100000186399_100000211926 [0,2,0,0,0,0|1,0,0]=3 8192 B13R1.556 COc1ccc(cc1SCCO)C 62a_100000211926_100000186399 [0,2,0,0,0,0|1,0,0]=3 8193 B13R1.556 COc1ccc(cc1SCCO)Cl 62a_100000211926_100011215930 [0,2,0,0,0,0|1,0,0]=3 8194 B13R1.556 COc1ccc(cc1SCCO)Cl 62a_100011215930_100000211926 [0,2,0,0,0,0|1,0,0]=3 8195 B13R1.556 COc1ccc(cc1SCCO)F 62a_100000171694_100000211926 [0,2,0,0,0,0|1,0,0]=3 8196 B13R1.556 COc1ccc(cc1SCCO)F 62a_100000211926_100000171694 [0,2,0,0,0,0|1,0,0]=3 8197 B13R1.556 COc1ccc(cc1SCCO)N 62a_100000211926_100011356947 [0,2,0,0,0,0|1,0,0]=3 8198 B13R1.556 COc1ccc(cc1SCCO)N 62a_100011356947_100000211926 [0,2,0,0,0,0|1,0,0]=3 8199 B13R1.556 COc1ccc(cc1SCCO)O 62a_100000211926_100010234764 [0,2,0,0,0,0|1,0,0]=3 8200 B13R1.556 COc1ccc(cc1SCCO)O 62a_100010234764_100000211926 [0,2,0,0,0,0|1,0,0]=3 8201 B13R1.556 COc1ccc(cc1SCSC)Br 62a_100011218213_100012351588 [0,2,0,0,0,0|2,0,0]=4 8202 B13R1.556 COc1ccc(cc1SCSC)Br 62a_100012351588_100011218213 [0,2,0,0,0,0|2,0,0]=4 8203 B13R1.556 COc1ccc(cc1SCSC)C 62a_100000186399_100011218213 [0,2,0,0,0,0|2,0,0]=4 8204 B13R1.556 COc1ccc(cc1SCSC)C 62a_100011218213_100000186399 [0,2,0,0,0,0|2,0,0]=4 8205 B13R1.556 COc1ccc(cc1SCSC)Cl 62a_100011215930_100011218213 [0,2,0,0,0,0|2,0,0]=4 8206 B13R1.556 COc1ccc(cc1SCSC)Cl 62a_100011218213_100011215930 [0,2,0,0,0,0|2,0,0]=4 8207 B13R1.556 COc1ccc(cc1SCSC)F 62a_100000171694_100011218213 [0,2,0,0,0,0|2,0,0]=4 8208 B13R1.556 COc1ccc(cc1SCSC)F 62a_100011218213_100000171694 [0,2,0,0,0,0|2,0,0]=4 8209 B13R1.556 COc1ccc(cc1SCSC)N 62a_100011218213_100011356947 [0,2,0,0,0,0|2,0,0]=4 8210 B13R1.556 COc1ccc(cc1SCSC)N 62a_100011356947_100011218213 [0,2,0,0,0,0|2,0,0]=4 8211 B13R1.556 COc1ccc(cc1SCSC)O 62a_100010234764_100011218213 [0,2,0,0,0,0|2,0,0]=4 8212 B13R1.556 COc1ccc(cc1SCSC)O 62a_100011218213_100010234764 [0,2,0,0,0,0|2,0,0]=4 8213 B13R1.556 COc1ccc(nc1SCCF)C 62a_100009820875_100011217306 [0,2,0,0,0,0|2,0,0]=4 8214 B13R1.556 COc1ccc(nc1SCCF)C 62a_100011217306_100009820875 [0,2,0,0,0,0|2,0,0]=4 8215 B13R1.556 COc1ccc(nc1SCCF)N 62a_100010172607_100011217306 [0,2,0,0,0,0|2,0,0]=4 8216 B13R1.556 COc1ccc(nc1SCCF)N 62a_100011217306_100010172607 [0,2,0,0,0,0|2,0,0]=4 8217 B13R1.556 COc1ccc(nc1SCCO)C 62a_100000211926_100009820875 [0,2,0,0,0,0|2,0,0]=4 8218 B13R1.556 COc1ccc(nc1SCCO)C 62a_100009820875_100000211926 [0,2,0,0,0,0|2,0,0]=4 8219 B13R1.556 COc1ccc(nc1SCCO)N 62a_100000211926_100010172607 [0,2,0,0,0,0|2,0,0]=4 8220 B13R1.556 COc1ccc(nc1SCCO)N 62a_100010172607_100000211926 [0,2,0,0,0,0|2,0,0]=4 8221 B13R1.556 COc1cnc(cc1OCCF)Br 34a_100010264082_100011217306 [0,2,0,0,0,0|2,0,0]=4 8222 B13R1.556 COc1cnc(cc1OCCF)Cl 34a_100009849459_100011217306 [0,2,0,0,0,0|2,0,0]=4 8223 B13R1.556 COc1cnc(cc1OCCO)Br 34a_100010264082_100000211926 [0,2,0,0,0,0|2,0,0]=4 8224 B13R1.556 COc1cnc(cc1OCCO)Cl 34a_100009849459_100000211926 [0,2,0,0,0,0|2,0,0]=4 8225 B13R1.556 COc1cnc(cc1SCCF)C 62a_100010109759_100011217306 [0,2,0,0,0,0|2,0,0]=4 8226 B13R1.556 COc1cnc(cc1SCCF)C 62a_100011217306_100010109759 [0,2,0,0,0,0|2,0,0]=4 8227 B13R1.556 COc1cnc(cc1SCCO)C 62a_100000211926_100010109759 [0,2,0,0,0,0|2,0,0]=4 8228 B13R1.556 COc1cnc(cc1SCCO)C 62a_100010109759_100000211926 [0,2,0,0,0,0|2,0,0]=4 8229 B13R1.556 COc1ncc(cc1COCF)Br 34a_100000695684_100015361967 [0,2,0,0,0,0|2,0,0]=4 8230 B13R1.556 COc1ncc(cc1COCF)F 34a_100011997213_100015361967 [0,2,0,0,0,0|2,0,0]=4 8231 B13R1.556 COc1ncc(cc1CSCF)Br 62a_100010065838_100015361967 [0,2,0,0,0,0|2,0,0]=4 8232 B13R1.556 COc1ncc(cc1CSCF)Br 62a_100015361967_100010065838 [0,2,0,0,0,0|2,0,0]=4 8233 B13R1.556 COc1ncc(cc1OCCF)Br 34a_100010135713_100011217306 [0,2,0,0,0,0|2,0,0]=4 8234 B13R1.556 COc1ncc(cc1OCCO)Br 34a_100010135713_100000211926 [0,2,0,0,0,0|2,0,0]=4 8235 B13R1.556 COc1ncc(cc1SCCF)Br 62a_100009814608_100011217306 [0,2,0,0,0,0|2,0,0]=4 8236 B13R1.556 COc1ncc(cc1SCCF)Br 62a_100011217306_100009814608 [0,2,0,0,0,0|2,0,0]=4 8237 B13R1.556 COc1ncc(cc1SCCF)C 62a_100011217306_100012353929 [0,2,0,0,0,0|2,0,0]=4 8238 B13R1.556 COc1ncc(cc1SCCF)C 62a_100012353929_100011217306 [0,2,0,0,0,0|2,0,0]=4 8239 B13R1.556 COc1ncc(cc1SCCF)F 62a_100009828472_100011217306 [0,2,0,0,0,0|2,0,0]=4 8240 B13R1.556 COc1ncc(cc1SCCF)F 62a_100011217306_100009828472 [0,2,0,0,0,0|2,0,0]=4 8241 B13R1.556 COc1ncc(cc1SCCF)N 62a_100011217306_100012351452 [0,2,0,0,0,0|2,0,0]=4 8242 B13R1.556 COc1ncc(cc1SCCF)N 62a_100012351452_100011217306 [0,2,0,0,0,0|2,0,0]=4 8243 B13R1.556 COc1ncc(cc1SCCO)Br 62a_100000211926_100009814608 [0,2,0,0,0,0|2,0,0]=4 8244 B13R1.556 COc1ncc(cc1SCCO)Br 62a_100009814608_100000211926 [0,2,0,0,0,0|2,0,0]=4 8245 B13R1.556 COc1ncc(cc1SCCO)C 62a_100000211926_100012353929 [0,2,0,0,0,0|2,0,0]=4 8246 B13R1.556 COc1ncc(cc1SCCO)C 62a_100012353929_100000211926 [0,2,0,0,0,0|2,0,0]=4 8247 B13R1.556 COc1ncc(cc1SCCO)F 62a_100000211926_100009828472 [0,2,0,0,0,0|2,0,0]=4 8248 B13R1.556 COc1ncc(cc1SCCO)F 62a_100009828472_100000211926 [0,2,0,0,0,0|2,0,0]=4 8249 B13R1.556 COc1ncc(cc1SCCO)N 62a_100000211926_100012351452 [0,2,0,0,0,0|2,0,0]=4 8250 B13R1.556 COc1ncc(cc1SCCO)N 62a_100012351452_100000211926 [0,2,0,0,0,0|2,0,0]=4 8251 B13R1.556 CSc1ccc(cc1NCCF)Cl 34a_100000745667_100011217306 [0,2,0,0,0,0|1,1,0]=4 8252 B13R1.556 CSc1ccc(cc1NCCO)Cl 34a_100000745667_100000211926 [0,2,0,0,0,0|1,1,0]=4 8253 B13R1.556 CSc1ccc(cc1SCCF)C 62a_100011217306_200010201864 [0,2,0,0,0,0|1,1,0]=4 8254 B13R1.556 CSc1ccc(cc1SCCF)C 62a_200010201864_100011217306 [0,2,0,0,0,0|1,1,0]=4 8255 B13R1.556 CSc1ccc(cc1SCCF)F 62a_100009817003_100011217306 [0,2,0,0,0,0|1,1,0]=4 8256 B13R1.556 CSc1ccc(cc1SCCF)F 62a_100011217306_100009817003 [0,2,0,0,0,0|1,1,0]=4 8257 B13R1.556 CSc1ccc(cc1SCCO)C 62a_100000211926_200010201864 [0,2,0,0,0,0|1,1,0]=4 8258 B13R1.556 CSc1ccc(cc1SCCO)C 62a_200010201864_100000211926 [0,2,0,0,0,0|1,1,0]=4 8259 B13R1.556 CSc1ccc(cc1SCCO)F 62a_100000211926_100009817003 [0,2,0,0,0,0|1,1,0]=4 8260 B13R1.556 CSc1ccc(cc1SCCO)F 62a_100009817003_100000211926 [0,2,0,0,0,0|1,1,0]=4 8261 B13R1.572 C=C(C)c1ccccc1CCC=O 271570a_100000694244_100011713448 [0,2,0,0,0,0|2,0,0]=4 8262 B13R1.572 C=C(C)c1ccccc1CCCO 271570a_100000694244_100000699526 [0,2,0,0,0,0|2,0,0]=4 8263 B13R1.572 C=C(C)c1ccccc1COCC 271570a_100000694244_200011493690 [0,2,0,0,0,0|2,0,0]=4 8264 B13R1.572 C=C(C)c1ccccc1CSCC 271570a_100000694244_200000173030 [0,2,0,0,0,0|2,0,0]=4 8265 B13R1.572 C=C(C)c1ccccc1NCCC 34a_100000037685_100000210303 [0,2,0,0,0,0|2,0,0]=4 8266 B13R1.572 C=C(C)c1ccccc1NCCF 34a_100000037685_100011217306 [0,2,0,0,0,0|2,0,0]=4 8267 B13R1.572 C=C(C)c1ccccc1NCCO 34a_100000037685_100000211926 [0,2,0,0,0,0|2,0,0]=4 8268 B13R1.572 C=C(C)c1ccccc1OCCC 271570a_100000694244_100000174042 [0,2,0,0,0,0|2,0,0]=4 8269 B13R1.572 C=C(C)c1ccccc1OCCN 271570a_100000694244_100000744007 [0,2,0,0,0,0|1,0,0]=3 8270 B13R1.572 C=C(C)c1ccccc1OCCO 271570a_100000694244_100000230753 [0,2,0,0,0,0|2,0,0]=4 8271 B13R1.572 C=C(C)c1ccccc1SCCO 271570a_100000694244_200000230852 [0,2,0,0,0,0|2,0,0]=4 8272 B13R1.572 CC(=O)c1ccccc1OCCO 1458a_200000217288_200000210301 [0,2,0,0,0,0|2,0,0]=4 8273 B13R1.572 CC(=O)c1ccccc1SCCF 62a_100000751169_100011217306 [0,2,0,0,0,0|2,0,0]=4 8274 B13R1.572 CC(=O)c1ccccc1SCCO 62a_100000751169_100000211926 [0,2,0,0,0,0|2,0,0]=4 8275 B13R1.572 CC(C)c1ccccc1NCCF 2230a_100000210643_100011217306 [0,2,0,0,0,0|2,0,0]=4 8276 B13R1.572 CC(C)c1ccccc1NCCF 34a_100000210643_100011217306 [0,2,0,0,0,0|2,0,0]=4 8277 B13R1.572 CC(C)c1ccccc1NCCF 7a_100000210643_100011217306 [0,2,0,0,0,0|2,0,0]=4 8278 B13R1.572 CC(C)c1ccccc1NCCO 2230a_100000210643_100000211926 [0,2,0,0,0,0|2,0,0]=4 8279 B13R1.572 CC(C)c1ccccc1NCCO 34a_100000210643_100000211926 [0,2,0,0,0,0|2,0,0]=4 8280 B13R1.572 CC(C)c1ccccc1NCCO 7a_100000210643_100000211926 [0,2,0,0,0,0|2,0,0]=4 8281 B13R1.572 CC(C)c1ccccc1OCCF 34a_100000211617_100011217306 [0,2,0,0,0,0|2,0,0]=4 8282 B13R1.572 CC(C)c1ccccc1OCCF 7a_100000211617_100011217306 [0,2,0,0,0,0|2,0,0]=4 8283 B13R1.572 CC(C)c1ccccc1OCCO 34a_100000211617_100000211926 [0,2,0,0,0,0|2,0,0]=4 8284 B13R1.572 CC(C)c1ccccc1OCCO 7a_100000211617_100000211926 [0,2,0,0,0,0|2,0,0]=4 8285 B13R1.572 CC(C)c1ccccc1SCCF 62a_100000708600_100011217306 [0,2,0,0,0,0|2,0,0]=4 8286 B13R1.572 CC(C)c1ccccc1SCCF 62a_100011217306_100000708600 [0,2,0,0,0,0|2,0,0]=4 8287 B13R1.572 CC(C)c1ccccc1SCCO 62a_100000211926_100000708600 [0,2,0,0,0,0|2,0,0]=4 8288 B13R1.572 CC(C)c1ccccc1SCCO 62a_100000708600_100000211926 [0,2,0,0,0,0|2,0,0]=4 8289 B13R1.572 CC(N)c1ccccc1SCCF 62a_100000181357_100011217306 [0,2,0,0,0,0|2,0,0]=4 8290 B13R1.572 CC(N)c1ccccc1SCCF 62a_100011217306_100000181357 [0,2,0,0,0,0|2,0,0]=4 8291 B13R1.572 CC(N)c1ccccc1SCCO 62a_100000181357_100000211926 [0,2,0,0,0,0|2,0,0]=4 8292 B13R1.572 CC(N)c1ccccc1SCCO 62a_100000211926_100000181357 [0,2,0,0,0,0|2,0,0]=4 8293 B13R1.572 CC(O)c1ccccc1NCCF 2230a_100011405641_100011217306 [0,2,0,0,0,0|2,0,0]=4 8294 B13R1.572 CC(O)c1ccccc1NCCO 2230a_100011405641_100000211926 [0,2,0,0,0,0|2,0,0]=4 8295 B13R1.572 CC(O)c1ccccc1OCCF 34a_200011232679_100011217306 [0,2,0,0,0,0|2,0,0]=4 8296 B13R1.572 CC(O)c1ccccc1OCCF 7a_200011232679_100011217306 [0,2,0,0,0,0|2,0,0]=4 8297 B13R1.572 CC(O)c1ccccc1OCCO 34a_200011232679_100000211926 [0,2,0,0,0,0|2,0,0]=4 8298 B13R1.572 CC(O)c1ccccc1OCCO 7a_200011232679_100000211926 [0,2,0,0,0,0|2,0,0]=4 8299 B13R1.572 CC(O)c1ccccc1SCCF 62a_100000702211_100011217306 [0,2,0,0,0,0|2,0,0]=4 8300 B13R1.572 CC(O)c1ccccc1SCCF 62a_100011217306_100000702211 [0,2,0,0,0,0|2,0,0]=4 8301 B13R1.572 CC(O)c1ccccc1SCCO 62a_100000211926_100000702211 [0,2,0,0,0,0|2,0,0]=4 8302 B13R1.572 CC(O)c1ccccc1SCCO 62a_100000702211_100000211926 [0,2,0,0,0,0|2,0,0]=4 8303 B13R1.572 CCCCc1ccccc1C(=O)C 271570a_100020621405_100000751169 [0,2,0,0,0,0|2,0,0]=4 8304 B13R1.572 CCCCc1ccccc1C(C)C 271570a_100020621405_100011218076 [0,2,0,0,0,0|2,0,0]=4 8305 B13R1.572 CCCCc1ccccc1C(C)N 271570a_100020621405_100000181357 [0,2,0,0,0,0|2,0,0]=4 8306 B13R1.572 CCCCc1ccccc1C(C)O 271570a_100020621405_100000702211 [0,2,0,0,0,0|2,0,0]=4 8307 B13R1.572 CCCCc1ccccc1N(C)C 271570a_100020621405_100011290883 [0,2,0,0,0,0|2,0,0]=4 8308 B13R1.572 CCCCc1ccccc1S(=O)C 271570a_100020621405_100000734199 [0,2,0,0,0,0|1,1,0]=4 8309 B13R1.572 CCCNc1ccccc1C(C)C 2230a_100000210643_100000210303 [0,2,0,0,0,0|2,0,0]=4 8310 B13R1.572 CCCNc1ccccc1C(C)C 34a_100000210643_100000210303 [0,2,0,0,0,0|2,0,0]=4 8311 B13R1.572 CCCNc1ccccc1C(C)C 7a_100000210643_100000210303 [0,2,0,0,0,0|2,0,0]=4 8312 B13R1.572 CCCNc1ccccc1C(C)O 2230a_100011405641_100000210303 [0,2,0,0,0,0|2,0,0]=4 8313 B13R1.572 CCCOc1ccccc1C(=O)C 1458a_100000215688_200000210301 [0,2,0,0,0,0|2,0,0]=4 8314 B13R1.572 CCCOc1ccccc1C(=O)[13CH3] 1458a_100000215688_200025704644 [0,2,0,0,0,0|2,0,0]=4 8315 B13R1.572 CCCOc1ccccc1C(C)C 34a_100000211617_100000210303 [0,2,0,0,0,0|2,0,0]=4 8316 B13R1.572 CCCOc1ccccc1C(C)C 7a_100000211617_100000210303 [0,2,0,0,0,0|2,0,0]=4 8317 B13R1.572 CCCOc1ccccc1C(C)O 34a_200011232679_100000210303 [0,2,0,0,0,0|2,0,0]=4 8318 B13R1.572 CCCOc1ccccc1C(C)O 7a_200011232679_100000210303 [0,2,0,0,0,0|2,0,0]=4 8319 B13R1.572 CCCOc1ccccc1N(C)C 27a_100102631434_100000174042 [0,2,0,0,0,0|2,0,0]=4 8320 B13R1.572 CCCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210303 [0,2,0,0,0,0|2,0,0]=4 8321 B13R1.572 CCCSc1ccccc1C(=O)C 1458a_100000217225_200000210301 [0,2,0,0,0,0|2,0,0]=4 8322 B13R1.572 CCCSc1ccccc1C(=O)C 62a_100000751169_100000210303 [0,2,0,0,0,0|2,0,0]=4 8323 B13R1.572 CCCSc1ccccc1C(=O)[13CH3] 1458a_100000217225_200025704644 [0,2,0,0,0,0|2,0,0]=4 8324 B13R1.572 CCCSc1ccccc1C(C)C 62a_100000210303_100000708600 [0,2,0,0,0,0|2,0,0]=4 8325 B13R1.572 CCCSc1ccccc1C(C)C 62a_100000708600_100000210303 [0,2,0,0,0,0|2,0,0]=4 8326 B13R1.572 CCCSc1ccccc1C(C)N 62a_100000181357_100000210303 [0,2,0,0,0,0|2,0,0]=4 8327 B13R1.572 CCCSc1ccccc1C(C)N 62a_100000210303_100000181357 [0,2,0,0,0,0|2,0,0]=4 8328 B13R1.572 CCCSc1ccccc1C(C)O 62a_100000210303_100000702211 [0,2,0,0,0,0|2,0,0]=4 8329 B13R1.572 CCCSc1ccccc1C(C)O 62a_100000702211_100000210303 [0,2,0,0,0,0|2,0,0]=4 8330 B13R1.572 CCCSc1ccccc1N(C)C 62a_100000210303_100011290883 [0,2,0,0,0,0|2,0,0]=4 8331 B13R1.572 CCCSc1ccccc1N(C)C 62a_100011290883_100000210303 [0,2,0,0,0,0|2,0,0]=4 8332 B13R1.572 CCCSc1ccccc1S(=O)C 62a_100000734199_100000210303 [0,2,0,0,0,0|1,1,0]=4 8333 B13R1.572 CCNCc1ccccc1C(C)C 207a_100015525214_100011361515 [0,2,0,0,0,0|2,0,0]=4 8334 B13R1.572 CCNCc1ccccc1C(C)C 270004a_100015525214_100011361515 [0,2,0,0,0,0|2,0,0]=4 8335 B13R1.572 CCNCc1ccccc1N(C)C 207a_100015525214_100000750901 [0,2,0,0,0,0|2,0,0]=4 8336 B13R1.572 CCNCc1ccccc1N(C)C 270004a_100015525214_100000750901 [0,2,0,0,0,0|2,0,0]=4 8337 B13R1.572 CN(C)c1ccccc1SCCF 62a_100011217306_100011290883 [0,2,0,0,0,0|2,0,0]=4 8338 B13R1.572 CN(C)c1ccccc1SCCF 62a_100011290883_100011217306 [0,2,0,0,0,0|2,0,0]=4 8339 B13R1.572 CN(C)c1ccccc1SCCO 62a_100000211926_100011290883 [0,2,0,0,0,0|2,0,0]=4 8340 B13R1.572 CN(C)c1ccccc1SCCO 62a_100011290883_100000211926 [0,2,0,0,0,0|2,0,0]=4 8341 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 2230a_100000723993_200000210301 [0,2,0,0,0,0|2,0,0]=4 8342 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 2230a_106832991635_200011934512 [0,2,0,0,0,0|2,0,0]=4 8343 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 34a_100102657272_200011934512 [0,2,0,0,0,0|2,0,0]=4 8344 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 7a_106832991635_200011934512 [0,2,0,0,0,0|2,0,0]=4 8345 B13R1.572 CS(=O)c1ccccc1SCCF 62a_100000734199_100011217306 [0,2,0,0,0,0|1,1,0]=4 8346 B13R1.572 CS(=O)c1ccccc1SCCO 62a_100000734199_100000211926 [0,2,0,0,0,0|1,1,0]=4 8347 B13R1.572 C[C@@H](N)c1ccccc1OCCF 34a_100025703389_100011217306 [0,2,0,0,0,0|2,0,0]=4 8348 B13R1.572 C[C@@H](N)c1ccccc1OCCO 34a_100025703389_100000211926 [0,2,0,0,0,0|2,0,0]=4 8349 B13R1.572 [13CH3]C(=O)c1ccccc1OCCO 1458a_200000217288_200025704644 [0,2,0,0,0,0|2,0,0]=4 8350 B13R1.572 [13CH3]NCCc1ccccc1[N+](=O)[O-] 2230a_100000723993_200025704644 [0,2,0,0,0,0|2,0,0]=4 8351 B13R1.1619 C#CCNc1c(cccc1OC)Br 34a_100000708083_100000184674 [0,2,0,0,0,0|1,0,1]=4 8352 B13R1.1619 C#CCNc1c(cccc1OC)C 2230a_100000758225_100000038162 [0,2,0,0,0,0|1,0,1]=4 8353 B13R1.1619 C#CCNc1c(cccc1OC)C 34a_100000758225_100000184674 [0,2,0,0,0,0|1,0,1]=4 8354 B13R1.1619 C#CCNc1c(cccc1OC)Cl 34a_100011309317_100000184674 [0,2,0,0,0,0|1,0,1]=4 8355 B13R1.1619 C#CCNc1c(cccc1OC)F 34a_100000686744_100000184674 [0,2,0,0,0,0|1,0,1]=4 8356 B13R1.1619 C#CCNc1c(cccc1OC)O 34a_100012022766_100000184674 [0,2,0,0,0,0|1,0,1]=4 8357 B13R1.1619 C#CCOc1c(cccc1OC)Br 34a_100000686866_100000184674 [0,2,0,0,0,0|1,0,1]=4 8358 B13R1.1619 C#CCOc1c(cccc1OC)C 34a_100011219253_100000184674 [0,2,0,0,0,0|1,0,1]=4 8359 B13R1.1619 C#CCOc1c(cccc1OC)C 7a_100011219253_100000038162 [0,2,0,0,0,0|1,0,1]=4 8360 B13R1.1619 C#CCOc1c(cccc1OC)Cl 34a_100009851661_100000184674 [0,2,0,0,0,0|1,0,1]=4 8361 B13R1.1619 C#CCOc1c(cccc1OC)Cl 7a_100009851661_100000038162 [0,2,0,0,0,0|1,0,1]=4 8362 B13R1.1619 C#CCOc1c(cccc1OC)F 34a_100000036725_100000184674 [0,2,0,0,0,0|1,0,1]=4 8363 B13R1.1619 C#CCOc1c(cccc1OC)F 7a_100000036725_100000038162 [0,2,0,0,0,0|1,0,1]=4 8364 B13R1.1619 C#CCOc1c(cccc1OC)N 34a_100000123586_100000184674 [0,2,0,0,0,0|1,0,1]=4 8365 B13R1.1619 C#CCSc1c(cccc1OC)Br 62a_100000038162_100010131421 [0,2,0,0,0,0|1,0,1]=4 8366 B13R1.1619 C#CCSc1c(cccc1OC)C 62a_100000038162_100010191535 [0,2,0,0,0,0|1,0,1]=4 8367 B13R1.1619 C#CCSc1c(cccc1OC)F 62a_100000038162_100000703912 [0,2,0,0,0,0|1,0,1]=4 8368 B13R1.1619 C#CCSc1c(cccc1OC)N 62a_100000038162_100000703447 [0,2,0,0,0,0|1,0,1]=4 8369 B13R1.1619 C#CCSc1c(cccc1OC)O 62a_100000038162_100010202623 [0,2,0,0,0,0|1,0,1]=4 8370 B13R1.1619 C=CCNc1c(cccc1OC)Br 34a_100000708083_100015514636 [0,2,0,0,0,0|1,0,1]=4 8371 B13R1.1619 C=CCNc1c(cccc1OC)C 2230a_100000758225_100000210623 [0,2,0,0,0,0|1,0,1]=4 8372 B13R1.1619 C=CCNc1c(cccc1OC)C 34a_100000758225_100015514636 [0,2,0,0,0,0|1,0,1]=4 8373 B13R1.1619 C=CCNc1c(cccc1OC)Cl 34a_100011309317_100015514636 [0,2,0,0,0,0|1,0,1]=4 8374 B13R1.1619 C=CCNc1c(cccc1OC)F 34a_100000686744_100015514636 [0,2,0,0,0,0|1,0,1]=4 8375 B13R1.1619 C=CCNc1c(cccc1OC)O 34a_100012022766_100015514636 [0,2,0,0,0,0|1,0,1]=4 8376 B13R1.1619 C=CCOc1c(cccc1OC)Br 34a_100000686866_100015514636 [0,2,0,0,0,0|1,0,1]=4 8377 B13R1.1619 C=CCOc1c(cccc1OC)C 34a_100011219253_100015514636 [0,2,0,0,0,0|1,0,1]=4 8378 B13R1.1619 C=CCOc1c(cccc1OC)C 7a_100011219253_100015514636 [0,2,0,0,0,0|1,0,1]=4 8379 B13R1.1619 C=CCOc1c(cccc1OC)Cl 34a_100009851661_100015514636 [0,2,0,0,0,0|1,0,1]=4 8380 B13R1.1619 C=CCOc1c(cccc1OC)Cl 7a_100009851661_100015514636 [0,2,0,0,0,0|1,0,1]=4 8381 B13R1.1619 C=CCOc1c(cccc1OC)F 34a_100000036725_100015514636 [0,2,0,0,0,0|1,0,1]=4 8382 B13R1.1619 C=CCOc1c(cccc1OC)F 7a_100000036725_100015514636 [0,2,0,0,0,0|1,0,1]=4 8383 B13R1.1619 C=CCOc1c(cccc1OC)N 34a_100000123586_100015514636 [0,2,0,0,0,0|1,0,1]=4 8384 B13R1.1619 C=CCSc1c(cccc1OC)Br 62a_100000210623_100010131421 [0,2,0,0,0,0|1,0,1]=4 8385 B13R1.1619 C=CCSc1c(cccc1OC)Br 62a_100010131421_100000210623 [0,2,0,0,0,0|1,0,1]=4 8386 B13R1.1619 C=CCSc1c(cccc1OC)C 62a_100000210623_100010191535 [0,2,0,0,0,0|1,0,1]=4 8387 B13R1.1619 C=CCSc1c(cccc1OC)C 62a_100010191535_100000210623 [0,2,0,0,0,0|1,0,1]=4 8388 B13R1.1619 C=CCSc1c(cccc1OC)F 62a_100000210623_100000703912 [0,2,0,0,0,0|1,0,1]=4 8389 B13R1.1619 C=CCSc1c(cccc1OC)F 62a_100000703912_100000210623 [0,2,0,0,0,0|1,0,1]=4 8390 B13R1.1619 C=CCSc1c(cccc1OC)N 62a_100000210623_100000703447 [0,2,0,0,0,0|1,0,1]=4 8391 B13R1.1619 C=CCSc1c(cccc1OC)N 62a_100000703447_100000210623 [0,2,0,0,0,0|1,0,1]=4 8392 B13R1.1619 C=CCSc1c(cccc1OC)O 62a_100000210623_100010202623 [0,2,0,0,0,0|1,0,1]=4 8393 B13R1.1619 CCCCc1c(cccc1CC)C 271570a_100020621405_100000036235 [0,2,0,0,0,0|2,0,0]=4 8394 B13R1.1619 CCCCc1c(cccc1OC)Br 271570a_100020621405_100010131421 [0,2,0,0,0,0|1,0,0]=3 8395 B13R1.1619 CCCCc1c(cccc1OC)F 271570a_100020621405_100000041735 [0,2,0,0,0,0|1,0,0]=3 8396 B13R1.1619 CCCCc1c(cccc1OC)N 271570a_100020621405_100000703447 [0,2,0,0,0,0|1,0,0]=3 8397 B13R1.1619 CCCCc1c(cccc1OC)O 271570a_100020621405_100010202623 [0,2,0,0,0,0|1,0,0]=3 8398 B13R1.1619 CCCCc1c(ccnc1OC)C 271570a_100020621405_100012353928 [0,2,0,0,0,0|2,0,0]=4 8399 B13R1.1619 CCCCc1c(ccnc1OC)N 271570a_100020621405_100010243811 [0,2,0,0,0,0|2,0,0]=4 8400 B13R1.1619 CCCNc1c(cccc1CC)C 2230a_100000210048_100000210303 [0,2,0,0,0,0|2,0,0]=4 8401 B13R1.1619 CCCNc1c(cccc1CC)C 34a_100000210048_100000210303 [0,2,0,0,0,0|2,0,0]=4 8402 B13R1.1619 CCCNc1c(cccc1CC)C 7a_100000210048_100000210303 [0,2,0,0,0,0|2,0,0]=4 8403 B13R1.1619 CCCNc1c(cccc1OC)Br 34a_100000708083_100000210303 [0,2,0,0,0,0|1,0,0]=3 8404 B13R1.1619 CCCNc1c(cccc1OC)C 2230a_100000758225_100000210303 [0,2,0,0,0,0|1,0,0]=3 8405 B13R1.1619 CCCNc1c(cccc1OC)C 34a_100000758225_100000210303 [0,2,0,0,0,0|1,0,0]=3 8406 B13R1.1619 CCCNc1c(cccc1OC)Cl 34a_100011309317_100000210303 [0,2,0,0,0,0|1,0,0]=3 8407 B13R1.1619 CCCNc1c(cccc1OC)F 34a_100000686744_100000210303 [0,2,0,0,0,0|1,0,0]=3 8408 B13R1.1619 CCCNc1c(cccc1OC)O 34a_100012022766_100000210303 [0,2,0,0,0,0|1,0,0]=3 8409 B13R1.1619 CCCOc1c(cccc1CC)Br 34a_200010001580_100000210303 [0,2,0,0,0,0|2,0,0]=4 8410 B13R1.1619 CCCOc1c(cccc1CC)Br 7a_200010001580_100000210303 [0,2,0,0,0,0|2,0,0]=4 8411 B13R1.1619 CCCOc1c(cccc1CC)C 34a_100000034007_100000210303 [0,2,0,0,0,0|2,0,0]=4 8412 B13R1.1619 CCCOc1c(cccc1CC)C 7a_100000034007_100000210303 [0,2,0,0,0,0|2,0,0]=4 8413 B13R1.1619 CCCOc1c(cccc1NC)C 34a_100012283158_200000210301 [0,2,0,0,0,0|2,0,0]=4 8414 B13R1.1619 CCCOc1c(cccc1NC)Cl 34a_200015187207_200000210301 [0,2,0,0,0,0|2,0,0]=4 8415 B13R1.1619 CCCOc1c(cccc1N[13CH3])C 34a_100012283158_200025704644 [0,2,0,0,0,0|2,0,0]=4 8416 B13R1.1619 CCCOc1c(cccc1N[13CH3])Cl 34a_200015187207_200025704644 [0,2,0,0,0,0|2,0,0]=4 8417 B13R1.1619 CCCOc1c(cccc1OC)Br 34a_100000686866_100000210303 [0,2,0,0,0,0|1,0,0]=3 8418 B13R1.1619 CCCOc1c(cccc1OC)C 34a_100011219253_100000210303 [0,2,0,0,0,0|1,0,0]=3 8419 B13R1.1619 CCCOc1c(cccc1OC)C 7a_100011219253_100000210303 [0,2,0,0,0,0|1,0,0]=3 8420 B13R1.1619 CCCOc1c(cccc1OC)Cl 34a_100009851661_100000210303 [0,2,0,0,0,0|1,0,0]=3 8421 B13R1.1619 CCCOc1c(cccc1OC)Cl 7a_100009851661_100000210303 [0,2,0,0,0,0|1,0,0]=3 8422 B13R1.1619 CCCOc1c(cccc1OC)F 34a_100000036725_100000210303 [0,2,0,0,0,0|1,0,0]=3 8423 B13R1.1619 CCCOc1c(cccc1OC)F 7a_100000036725_100000210303 [0,2,0,0,0,0|1,0,0]=3 8424 B13R1.1619 CCCOc1c(cccc1OC)N 34a_100000123586_100000210303 [0,2,0,0,0,0|1,0,0]=3 8425 B13R1.1619 CCCSc1c(cccc1CC)C 62a_100000036235_100000210303 [0,2,0,0,0,0|2,0,0]=4 8426 B13R1.1619 CCCSc1c(cccc1CC)C 62a_100000210303_100000036235 [0,2,0,0,0,0|2,0,0]=4 8427 B13R1.1619 CCCSc1c(cccc1OC)Br 62a_100000210303_100010131421 [0,2,0,0,0,0|1,0,0]=3 8428 B13R1.1619 CCCSc1c(cccc1OC)Br 62a_100010131421_100000210303 [0,2,0,0,0,0|1,0,0]=3 8429 B13R1.1619 CCCSc1c(cccc1OC)C 62a_100000210303_100010191535 [0,2,0,0,0,0|1,0,0]=3 8430 B13R1.1619 CCCSc1c(cccc1OC)C 62a_100010191535_100000210303 [0,2,0,0,0,0|1,0,0]=3 8431 B13R1.1619 CCCSc1c(cccc1OC)F 62a_100000210303_100000703912 [0,2,0,0,0,0|1,0,0]=3 8432 B13R1.1619 CCCSc1c(cccc1OC)F 62a_100000703912_100000210303 [0,2,0,0,0,0|1,0,0]=3 8433 B13R1.1619 CCCSc1c(cccc1OC)N 62a_100000210303_100000703447 [0,2,0,0,0,0|1,0,0]=3 8434 B13R1.1619 CCCSc1c(cccc1OC)N 62a_100000703447_100000210303 [0,2,0,0,0,0|1,0,0]=3 8435 B13R1.1619 CCCSc1c(cccc1OC)O 62a_100000210303_100010202623 [0,2,0,0,0,0|1,0,0]=3 8436 B13R1.1619 CCCSc1c(ccnc1Cl)OC 62a_100000210303_100010154655 [0,2,0,0,0,0|2,0,0]=4 8437 B13R1.1619 CCCSc1c(ccnc1Cl)OC 62a_100010154655_100000210303 [0,2,0,0,0,0|2,0,0]=4 8438 B13R1.1619 CCCSc1c(ccnc1OC)C 62a_100000210303_100012353928 [0,2,0,0,0,0|2,0,0]=4 8439 B13R1.1619 CCCSc1c(ccnc1OC)C 62a_100012353928_100000210303 [0,2,0,0,0,0|2,0,0]=4 8440 B13R1.1619 CCCSc1c(ccnc1OC)N 62a_100000210303_100010243811 [0,2,0,0,0,0|2,0,0]=4 8441 B13R1.1619 CCCSc1c(ccnc1OC)N 62a_100010243811_100000210303 [0,2,0,0,0,0|2,0,0]=4 8442 B13R1.1619 CCNCc1c(cccc1OC)Br 207a_100015525214_100009814803 [0,2,0,0,0,0|1,0,0]=3 8443 B13R1.1619 CCNCc1c(cccc1OC)Br 270004a_100015525214_100009814803 [0,2,0,0,0,0|1,0,0]=3 8444 B13R1.1619 CCNCc1c(cccc1OC)C 207a_100015525214_100000050978 [0,2,0,0,0,0|1,0,0]=3 8445 B13R1.1619 CCNCc1c(cccc1OC)C 270004a_100015525214_100000050978 [0,2,0,0,0,0|1,0,0]=3 8446 B13R1.1619 CCNCc1c(cccc1OC)Cl 207a_100015525214_100000757644 [0,2,0,0,0,0|1,0,0]=3 8447 B13R1.1619 CCNCc1c(cccc1OC)Cl 2230a_100015525214_100012349678 [0,2,0,0,0,0|1,0,0]=3 8448 B13R1.1619 CCNCc1c(cccc1OC)Cl 270004a_100015525214_100000757644 [0,2,0,0,0,0|1,0,0]=3 8449 B13R1.1619 CCNCc1c(cccc1OC)F 207a_100015525214_100011216730 [0,2,0,0,0,0|1,0,0]=3 8450 B13R1.1619 CCNCc1c(cccc1OC)F 2230a_100015525214_100011216731 [0,2,0,0,0,0|1,0,0]=3 8451 B13R1.1619 CCNCc1c(cccc1OC)F 270004a_100015525214_100011216730 [0,2,0,0,0,0|1,0,0]=3 8452 B13R1.1619 CCNCc1c(cccc1OC)F 34a_100016992011_100000210202 [0,2,0,0,0,0|1,0,0]=3 8453 B13R1.1619 CCNCc1c(ccnc1OC)Cl 207a_100015525214_100009849443 [0,2,0,0,0,0|2,0,0]=4 8454 B13R1.1619 CCNCc1c(ccnc1OC)Cl 270004a_100015525214_100009849443 [0,2,0,0,0,0|2,0,0]=4 8455 B13R1.1619 CCNCc1c(ccnc1OC)I 207a_100015525214_100010160771 [0,2,0,0,0,0|2,0,0]=4 8456 B13R1.1619 CCOCc1c(cccc1OC)Cl 34a_100121572206_100012349678 [0,2,0,0,0,0|1,0,0]=3 8457 B13R1.1619 CCOCc1c(cccc1OC)F 34a_100011216733_100000210202 [0,2,0,0,0,0|1,0,0]=3 8458 B13R1.1619 CCOCc1c(cccc1OC)F 34a_100121572206_100011216731 [0,2,0,0,0,0|1,0,0]=3 8459 B13R1.1619 CCOCc1c(cccc1OC)F 7a_100011216733_100000210202 [0,2,0,0,0,0|1,0,0]=3 8460 B13R1.1619 CCSCc1c(cccc1OC)Cl 62a_100000210202_100012349678 [0,2,0,0,0,0|1,0,0]=3 8461 B13R1.1619 CCSCc1c(cccc1OC)Cl 62a_100012349678_100000210202 [0,2,0,0,0,0|1,0,0]=3 8462 B13R1.1619 CCSCc1c(cccc1OC)F 62a_100000210202_100011216731 [0,2,0,0,0,0|1,0,0]=3 8463 B13R1.1619 CCSCc1c(cccc1OC)F 62a_100011216731_100000210202 [0,2,0,0,0,0|1,0,0]=3 8464 B13R1.1619 CCc1cccc(c1NCCF)C 2230a_100000210048_100011217306 [0,2,0,0,0,0|2,0,0]=4 8465 B13R1.1619 CCc1cccc(c1NCCF)C 34a_100000210048_100011217306 [0,2,0,0,0,0|2,0,0]=4 8466 B13R1.1619 CCc1cccc(c1NCCF)C 7a_100000210048_100011217306 [0,2,0,0,0,0|2,0,0]=4 8467 B13R1.1619 CCc1cccc(c1NCCO)C 2230a_100000210048_100000211926 [0,2,0,0,0,0|2,0,0]=4 8468 B13R1.1619 CCc1cccc(c1NCCO)C 34a_100000210048_100000211926 [0,2,0,0,0,0|2,0,0]=4 8469 B13R1.1619 CCc1cccc(c1NCCO)C 7a_100000210048_100000211926 [0,2,0,0,0,0|2,0,0]=4 8470 B13R1.1619 CCc1cccc(c1OCCF)Br 34a_200010001580_100011217306 [0,2,0,0,0,0|2,0,0]=4 8471 B13R1.1619 CCc1cccc(c1OCCF)Br 7a_200010001580_100011217306 [0,2,0,0,0,0|2,0,0]=4 8472 B13R1.1619 CCc1cccc(c1OCCF)C 34a_100000034007_100011217306 [0,2,0,0,0,0|2,0,0]=4 8473 B13R1.1619 CCc1cccc(c1OCCF)C 7a_100000034007_100011217306 [0,2,0,0,0,0|2,0,0]=4 8474 B13R1.1619 CCc1cccc(c1OCCO)Br 34a_200010001580_100000211926 [0,2,0,0,0,0|2,0,0]=4 8475 B13R1.1619 CCc1cccc(c1OCCO)Br 7a_200010001580_100000211926 [0,2,0,0,0,0|2,0,0]=4 8476 B13R1.1619 CCc1cccc(c1OCCO)C 34a_100000034007_100000211926 [0,2,0,0,0,0|2,0,0]=4 8477 B13R1.1619 CCc1cccc(c1OCCO)C 7a_100000034007_100000211926 [0,2,0,0,0,0|2,0,0]=4 8478 B13R1.1619 CCc1cccc(c1SCCF)C 62a_100000036235_100011217306 [0,2,0,0,0,0|2,0,0]=4 8479 B13R1.1619 CCc1cccc(c1SCCF)C 62a_100011217306_100000036235 [0,2,0,0,0,0|2,0,0]=4 8480 B13R1.1619 CCc1cccc(c1SCCO)C 62a_100000036235_100000211926 [0,2,0,0,0,0|2,0,0]=4 8481 B13R1.1619 CCc1cccc(c1SCCO)C 62a_100000211926_100000036235 [0,2,0,0,0,0|2,0,0]=4 8482 B13R1.1619 COCNc1c(cccc1OC)C 2230a_100000758225_100000766300 [0,2,0,0,0,0|2,0,0]=4 8483 B13R1.1619 COCOc1c(cccc1OC)O 271570a_203496583355_200019925563 [0,2,0,0,0,0|2,0,0]=4 8484 B13R1.1619 COCSc1c(cccc1OC)Br 62a_100000766300_100010131421 [0,2,0,0,0,0|2,0,0]=4 8485 B13R1.1619 COCSc1c(cccc1OC)Br 62a_100010131421_100000766300 [0,2,0,0,0,0|2,0,0]=4 8486 B13R1.1619 COCSc1c(cccc1OC)C 62a_100000766300_100010191535 [0,2,0,0,0,0|2,0,0]=4 8487 B13R1.1619 COCSc1c(cccc1OC)C 62a_100010191535_100000766300 [0,2,0,0,0,0|2,0,0]=4 8488 B13R1.1619 COCSc1c(cccc1OC)F 62a_100000703912_100000766300 [0,2,0,0,0,0|2,0,0]=4 8489 B13R1.1619 COCSc1c(cccc1OC)F 62a_100000766300_100000703912 [0,2,0,0,0,0|2,0,0]=4 8490 B13R1.1619 COCSc1c(cccc1OC)N 62a_100000703447_100000766300 [0,2,0,0,0,0|2,0,0]=4 8491 B13R1.1619 COCSc1c(cccc1OC)N 62a_100000766300_100000703447 [0,2,0,0,0,0|2,0,0]=4 8492 B13R1.1619 COCSc1c(cccc1OC)O 62a_100000766300_100010202623 [0,2,0,0,0,0|2,0,0]=4 8493 B13R1.1619 COc1cccc(c1CNCF)F 34a_100016992011_100015361967 [0,2,0,0,0,0|1,0,0]=3 8494 B13R1.1619 COc1cccc(c1COCF)F 34a_100011216733_100015361967 [0,2,0,0,0,0|1,0,0]=3 8495 B13R1.1619 COc1cccc(c1COCF)F 7a_100011216733_100015361967 [0,2,0,0,0,0|1,0,0]=3 8496 B13R1.1619 COc1cccc(c1CSCF)Cl 62a_100012349678_100015361967 [0,2,0,0,0,0|1,0,0]=3 8497 B13R1.1619 COc1cccc(c1CSCF)Cl 62a_100015361967_100012349678 [0,2,0,0,0,0|1,0,0]=3 8498 B13R1.1619 COc1cccc(c1CSCF)F 62a_100011216731_100015361967 [0,2,0,0,0,0|1,0,0]=3 8499 B13R1.1619 COc1cccc(c1CSCF)F 62a_100015361967_100011216731 [0,2,0,0,0,0|1,0,0]=3 8500 B13R1.1619 COc1cccc(c1NCC#N)C 2230a_100000758225_100011215382 [0,2,0,0,0,0|0,0,2]=4 8501 B13R1.1619 COc1cccc(c1NCC=O)Br 34a_100000708083_200009817547 [0,2,0,0,0,0|1,0,1]=4 8502 B13R1.1619 COc1cccc(c1NCC=O)C 2230a_100000758225_200015260668 [0,2,0,0,0,0|1,0,1]=4 8503 B13R1.1619 COc1cccc(c1NCC=O)C 34a_100000758225_200009817547 [0,2,0,0,0,0|1,0,1]=4 8504 B13R1.1619 COc1cccc(c1NCC=O)Cl 34a_100011309317_200009817547 [0,2,0,0,0,0|1,0,1]=4 8505 B13R1.1619 COc1cccc(c1NCC=O)F 34a_100000686744_200009817547 [0,2,0,0,0,0|1,0,1]=4 8506 B13R1.1619 COc1cccc(c1NCC=O)O 34a_100012022766_200009817547 [0,2,0,0,0,0|1,0,1]=4 8507 B13R1.1619 COc1cccc(c1NCCF)Br 34a_100000708083_100011217306 [0,2,0,0,0,0|1,0,0]=3 8508 B13R1.1619 COc1cccc(c1NCCF)C 2230a_100000758225_100011217306 [0,2,0,0,0,0|1,0,0]=3 8509 B13R1.1619 COc1cccc(c1NCCF)C 34a_100000758225_100011217306 [0,2,0,0,0,0|1,0,0]=3 8510 B13R1.1619 COc1cccc(c1NCCF)Cl 34a_100011309317_100011217306 [0,2,0,0,0,0|1,0,0]=3 8511 B13R1.1619 COc1cccc(c1NCCF)F 34a_100000686744_100011217306 [0,2,0,0,0,0|1,0,0]=3 8512 B13R1.1619 COc1cccc(c1NCCF)O 34a_100012022766_100011217306 [0,2,0,0,0,0|1,0,0]=3 8513 B13R1.1619 COc1cccc(c1NCCO)Br 34a_100000708083_100000211926 [0,2,0,0,0,0|1,0,0]=3 8514 B13R1.1619 COc1cccc(c1NCCO)C 2230a_100000758225_100000211926 [0,2,0,0,0,0|1,0,0]=3 8515 B13R1.1619 COc1cccc(c1NCCO)C 34a_100000758225_100000211926 [0,2,0,0,0,0|1,0,0]=3 8516 B13R1.1619 COc1cccc(c1NCCO)Cl 34a_100011309317_100000211926 [0,2,0,0,0,0|1,0,0]=3 8517 B13R1.1619 COc1cccc(c1NCCO)F 34a_100000686744_100000211926 [0,2,0,0,0,0|1,0,0]=3 8518 B13R1.1619 COc1cccc(c1NCCO)O 34a_100012022766_100000211926 [0,2,0,0,0,0|1,0,0]=3 8519 B13R1.1619 COc1cccc(c1NCSC)Br 34a_100000708083_100011218213 [0,2,0,0,0,0|2,0,0]=4 8520 B13R1.1619 COc1cccc(c1NCSC)C 2230a_100000758225_100011218213 [0,2,0,0,0,0|2,0,0]=4 8521 B13R1.1619 COc1cccc(c1NCSC)C 34a_100000758225_100011218213 [0,2,0,0,0,0|2,0,0]=4 8522 B13R1.1619 COc1cccc(c1NCSC)Cl 34a_100011309317_100011218213 [0,2,0,0,0,0|2,0,0]=4 8523 B13R1.1619 COc1cccc(c1NCSC)F 34a_100000686744_100011218213 [0,2,0,0,0,0|2,0,0]=4 8524 B13R1.1619 COc1cccc(c1NCSC)O 34a_100012022766_100011218213 [0,2,0,0,0,0|2,0,0]=4 8525 B13R1.1619 COc1cccc(c1OCC#N)C 7a_100011219253_100011215382 [0,2,0,0,0,0|0,0,2]=4 8526 B13R1.1619 COc1cccc(c1OCC#N)Cl 7a_100009851661_100011215382 [0,2,0,0,0,0|0,0,2]=4 8527 B13R1.1619 COc1cccc(c1OCC#N)F 7a_100000036725_100011215382 [0,2,0,0,0,0|0,0,2]=4 8528 B13R1.1619 COc1cccc(c1OCC=O)Br 34a_100000686866_200009817547 [0,2,0,0,0,0|1,0,1]=4 8529 B13R1.1619 COc1cccc(c1OCC=O)C 34a_100011219253_200009817547 [0,2,0,0,0,0|1,0,1]=4 8530 B13R1.1619 COc1cccc(c1OCC=O)C 7a_100011219253_200015260668 [0,2,0,0,0,0|1,0,1]=4 8531 B13R1.1619 COc1cccc(c1OCC=O)Cl 34a_100009851661_200009817547 [0,2,0,0,0,0|1,0,1]=4 8532 B13R1.1619 COc1cccc(c1OCC=O)Cl 7a_100009851661_200015260668 [0,2,0,0,0,0|1,0,1]=4 8533 B13R1.1619 COc1cccc(c1OCC=O)F 34a_100000036725_200009817547 [0,2,0,0,0,0|1,0,1]=4 8534 B13R1.1619 COc1cccc(c1OCC=O)F 7a_100000036725_200015260668 [0,2,0,0,0,0|1,0,1]=4 8535 B13R1.1619 COc1cccc(c1OCC=O)N 34a_100000123586_200009817547 [0,2,0,0,0,0|1,0,1]=4 8536 B13R1.1619 COc1cccc(c1OCCF)Br 34a_100000686866_100011217306 [0,2,0,0,0,0|1,0,0]=3 8537 B13R1.1619 COc1cccc(c1OCCF)C 34a_100011219253_100011217306 [0,2,0,0,0,0|1,0,0]=3 8538 B13R1.1619 COc1cccc(c1OCCF)C 7a_100011219253_100011217306 [0,2,0,0,0,0|1,0,0]=3 8539 B13R1.1619 COc1cccc(c1OCCF)Cl 34a_100009851661_100011217306 [0,2,0,0,0,0|1,0,0]=3 8540 B13R1.1619 COc1cccc(c1OCCF)Cl 7a_100009851661_100011217306 [0,2,0,0,0,0|1,0,0]=3 8541 B13R1.1619 COc1cccc(c1OCCF)F 34a_100000036725_100011217306 [0,2,0,0,0,0|1,0,0]=3 8542 B13R1.1619 COc1cccc(c1OCCF)F 7a_100000036725_100011217306 [0,2,0,0,0,0|1,0,0]=3 8543 B13R1.1619 COc1cccc(c1OCCF)N 34a_100000123586_100011217306 [0,2,0,0,0,0|1,0,0]=3 8544 B13R1.1619 COc1cccc(c1OCCO)Br 34a_100000686866_100000211926 [0,2,0,0,0,0|1,0,0]=3 8545 B13R1.1619 COc1cccc(c1OCCO)C 34a_100011219253_100000211926 [0,2,0,0,0,0|1,0,0]=3 8546 B13R1.1619 COc1cccc(c1OCCO)C 7a_100011219253_100000211926 [0,2,0,0,0,0|1,0,0]=3 8547 B13R1.1619 COc1cccc(c1OCCO)Cl 34a_100009851661_100000211926 [0,2,0,0,0,0|1,0,0]=3 8548 B13R1.1619 COc1cccc(c1OCCO)Cl 7a_100009851661_100000211926 [0,2,0,0,0,0|1,0,0]=3 8549 B13R1.1619 COc1cccc(c1OCCO)F 34a_100000036725_100000211926 [0,2,0,0,0,0|1,0,0]=3 8550 B13R1.1619 COc1cccc(c1OCCO)F 7a_100000036725_100000211926 [0,2,0,0,0,0|1,0,0]=3 8551 B13R1.1619 COc1cccc(c1OCCO)N 34a_100000123586_100000211926 [0,2,0,0,0,0|1,0,0]=3 8552 B13R1.1619 COc1cccc(c1OCSC)Br 34a_100000686866_100011218213 [0,2,0,0,0,0|2,0,0]=4 8553 B13R1.1619 COc1cccc(c1OCSC)C 34a_100011219253_100011218213 [0,2,0,0,0,0|2,0,0]=4 8554 B13R1.1619 COc1cccc(c1OCSC)Cl 34a_100009851661_100011218213 [0,2,0,0,0,0|2,0,0]=4 8555 B13R1.1619 COc1cccc(c1OCSC)F 34a_100000036725_100011218213 [0,2,0,0,0,0|2,0,0]=4 8556 B13R1.1619 COc1cccc(c1OCSC)N 34a_100000123586_100011218213 [0,2,0,0,0,0|2,0,0]=4 8557 B13R1.1619 COc1cccc(c1SCC#N)Br 62a_100010131421_100011215382 [0,2,0,0,0,0|0,0,2]=4 8558 B13R1.1619 COc1cccc(c1SCC#N)Br 62a_100011215382_100010131421 [0,2,0,0,0,0|0,0,2]=4 8559 B13R1.1619 COc1cccc(c1SCC#N)C 62a_100010191535_100011215382 [0,2,0,0,0,0|0,0,2]=4 8560 B13R1.1619 COc1cccc(c1SCC#N)C 62a_100011215382_100010191535 [0,2,0,0,0,0|0,0,2]=4 8561 B13R1.1619 COc1cccc(c1SCC#N)F 62a_100000703912_100011215382 [0,2,0,0,0,0|0,0,2]=4 8562 B13R1.1619 COc1cccc(c1SCC#N)F 62a_100011215382_100000703912 [0,2,0,0,0,0|0,0,2]=4 8563 B13R1.1619 COc1cccc(c1SCC#N)N 62a_100000703447_100011215382 [0,2,0,0,0,0|0,0,2]=4 8564 B13R1.1619 COc1cccc(c1SCC#N)N 62a_100011215382_100000703447 [0,2,0,0,0,0|0,0,2]=4 8565 B13R1.1619 COc1cccc(c1SCC#N)O 62a_100011215382_100010202623 [0,2,0,0,0,0|0,0,2]=4 8566 B13R1.1619 COc1cccc(c1SCC=O)Br 62a_100010131421_200015260668 [0,2,0,0,0,0|1,0,1]=4 8567 B13R1.1619 COc1cccc(c1SCC=O)Br 62a_200015260668_100010131421 [0,2,0,0,0,0|1,0,1]=4 8568 B13R1.1619 COc1cccc(c1SCC=O)C 62a_100010191535_200015260668 [0,2,0,0,0,0|1,0,1]=4 8569 B13R1.1619 COc1cccc(c1SCC=O)C 62a_200015260668_100010191535 [0,2,0,0,0,0|1,0,1]=4 8570 B13R1.1619 COc1cccc(c1SCC=O)F 62a_100000703912_200015260668 [0,2,0,0,0,0|1,0,1]=4 8571 B13R1.1619 COc1cccc(c1SCC=O)F 62a_200015260668_100000703912 [0,2,0,0,0,0|1,0,1]=4 8572 B13R1.1619 COc1cccc(c1SCC=O)N 62a_100000703447_200015260668 [0,2,0,0,0,0|1,0,1]=4 8573 B13R1.1619 COc1cccc(c1SCC=O)N 62a_200015260668_100000703447 [0,2,0,0,0,0|1,0,1]=4 8574 B13R1.1619 COc1cccc(c1SCC=O)O 62a_200015260668_100010202623 [0,2,0,0,0,0|1,0,1]=4 8575 B13R1.1619 COc1cccc(c1SCCF)Br 62a_100010131421_100011217306 [0,2,0,0,0,0|1,0,0]=3 8576 B13R1.1619 COc1cccc(c1SCCF)Br 62a_100011217306_100010131421 [0,2,0,0,0,0|1,0,0]=3 8577 B13R1.1619 COc1cccc(c1SCCF)C 62a_100010191535_100011217306 [0,2,0,0,0,0|1,0,0]=3 8578 B13R1.1619 COc1cccc(c1SCCF)C 62a_100011217306_100010191535 [0,2,0,0,0,0|1,0,0]=3 8579 B13R1.1619 COc1cccc(c1SCCF)F 62a_100000703912_100011217306 [0,2,0,0,0,0|1,0,0]=3 8580 B13R1.1619 COc1cccc(c1SCCF)F 62a_100011217306_100000703912 [0,2,0,0,0,0|1,0,0]=3 8581 B13R1.1619 COc1cccc(c1SCCF)N 62a_100000703447_100011217306 [0,2,0,0,0,0|1,0,0]=3 8582 B13R1.1619 COc1cccc(c1SCCF)N 62a_100011217306_100000703447 [0,2,0,0,0,0|1,0,0]=3 8583 B13R1.1619 COc1cccc(c1SCCF)O 62a_100011217306_100010202623 [0,2,0,0,0,0|1,0,0]=3 8584 B13R1.1619 COc1cccc(c1SCCO)Br 62a_100000211926_100010131421 [0,2,0,0,0,0|1,0,0]=3 8585 B13R1.1619 COc1cccc(c1SCCO)Br 62a_100010131421_100000211926 [0,2,0,0,0,0|1,0,0]=3 8586 B13R1.1619 COc1cccc(c1SCCO)C 62a_100000211926_100010191535 [0,2,0,0,0,0|1,0,0]=3 8587 B13R1.1619 COc1cccc(c1SCCO)C 62a_100010191535_100000211926 [0,2,0,0,0,0|1,0,0]=3 8588 B13R1.1619 COc1cccc(c1SCCO)F 62a_100000211926_100000703912 [0,2,0,0,0,0|1,0,0]=3 8589 B13R1.1619 COc1cccc(c1SCCO)F 62a_100000703912_100000211926 [0,2,0,0,0,0|1,0,0]=3 8590 B13R1.1619 COc1cccc(c1SCCO)N 62a_100000211926_100000703447 [0,2,0,0,0,0|1,0,0]=3 8591 B13R1.1619 COc1cccc(c1SCCO)N 62a_100000703447_100000211926 [0,2,0,0,0,0|1,0,0]=3 8592 B13R1.1619 COc1cccc(c1SCCO)O 62a_100000211926_100010202623 [0,2,0,0,0,0|1,0,0]=3 8593 B13R1.1619 COc1cccc(c1SCSC)Br 62a_100010131421_100011218213 [0,2,0,0,0,0|2,0,0]=4 8594 B13R1.1619 COc1cccc(c1SCSC)Br 62a_100011218213_100010131421 [0,2,0,0,0,0|2,0,0]=4 8595 B13R1.1619 COc1cccc(c1SCSC)C 62a_100010191535_100011218213 [0,2,0,0,0,0|2,0,0]=4 8596 B13R1.1619 COc1cccc(c1SCSC)C 62a_100011218213_100010191535 [0,2,0,0,0,0|2,0,0]=4 8597 B13R1.1619 COc1cccc(c1SCSC)F 62a_100000703912_100011218213 [0,2,0,0,0,0|2,0,0]=4 8598 B13R1.1619 COc1cccc(c1SCSC)F 62a_100011218213_100000703912 [0,2,0,0,0,0|2,0,0]=4 8599 B13R1.1619 COc1cccc(c1SCSC)N 62a_100000703447_100011218213 [0,2,0,0,0,0|2,0,0]=4 8600 B13R1.1619 COc1cccc(c1SCSC)N 62a_100011218213_100000703447 [0,2,0,0,0,0|2,0,0]=4 8601 B13R1.1619 COc1cccc(c1SCSC)O 62a_100011218213_100010202623 [0,2,0,0,0,0|2,0,0]=4 8602 B13R1.1619 COc1ccnc(c1SCCF)Cl 62a_100010154655_100011217306 [0,2,0,0,0,0|2,0,0]=4 8603 B13R1.1619 COc1ccnc(c1SCCF)Cl 62a_100011217306_100010154655 [0,2,0,0,0,0|2,0,0]=4 8604 B13R1.1619 COc1ccnc(c1SCCO)Cl 62a_100000211926_100010154655 [0,2,0,0,0,0|2,0,0]=4 8605 B13R1.1619 COc1ccnc(c1SCCO)Cl 62a_100010154655_100000211926 [0,2,0,0,0,0|2,0,0]=4 8606 B13R1.1619 COc1nccc(c1SCCF)C 62a_100011217306_100012353928 [0,2,0,0,0,0|2,0,0]=4 8607 B13R1.1619 COc1nccc(c1SCCF)C 62a_100012353928_100011217306 [0,2,0,0,0,0|2,0,0]=4 8608 B13R1.1619 COc1nccc(c1SCCF)N 62a_100010243811_100011217306 [0,2,0,0,0,0|2,0,0]=4 8609 B13R1.1619 COc1nccc(c1SCCF)N 62a_100011217306_100010243811 [0,2,0,0,0,0|2,0,0]=4 8610 B13R1.1619 COc1nccc(c1SCCO)C 62a_100000211926_100012353928 [0,2,0,0,0,0|2,0,0]=4 8611 B13R1.1619 COc1nccc(c1SCCO)C 62a_100012353928_100000211926 [0,2,0,0,0,0|2,0,0]=4 8612 B13R1.1619 COc1nccc(c1SCCO)N 62a_100000211926_100010243811 [0,2,0,0,0,0|2,0,0]=4 8613 B13R1.1619 COc1nccc(c1SCCO)N 62a_100010243811_100000211926 [0,2,0,0,0,0|2,0,0]=4 8614 B13R1.1619 CSc1cccc(c1CCCO)F 62a_100021413403_200000210301 [0,2,0,0,0,0|1,1,0]=4 8615 B13R1.1619 CSc1cccc(c1CCCO)F 62a_200000210301_100021413403 [0,2,0,0,0,0|1,1,0]=4 8616 B13R1.1619 [13CH3]Sc1cccc(c1CCCO)F 62a_100021413403_200025704644 [0,2,0,0,0,0|1,1,0]=4 8617 B13R1.1619 [13CH3]Sc1cccc(c1CCCO)F 62a_200025704644_100021413403 [0,2,0,0,0,0|1,1,0]=4 8618 B13R1.3516 C#CCNc1cccc(c1OC)Br 34a_100011935253_100000184674 [0,2,0,0,0,0|1,0,1]=4 8619 B13R1.3516 C#CCNc1cccc(c1OC)C 34a_100012017360_100000184674 [0,2,0,0,0,0|1,0,1]=4 8620 B13R1.3516 C#CCNc1cccc(c1OC)Cl 2230a_100000743799_100000038162 [0,2,0,0,0,0|1,0,1]=4 8621 B13R1.3516 C#CCNc1cccc(c1OC)Cl 34a_100000743799_100000184674 [0,2,0,0,0,0|1,0,1]=4 8622 B13R1.3516 C#CCNc1cccc(c1OC)F 34a_100011215007_100000184674 [0,2,0,0,0,0|1,0,1]=4 8623 B13R1.3516 C#CCOc1cccc(c1OC)Br 34a_100010234590_100000184674 [0,2,0,0,0,0|1,0,1]=4 8624 B13R1.3516 C#CCOc1cccc(c1OC)Cl 34a_200009886253_100000184674 [0,2,0,0,0,0|1,0,1]=4 8625 B13R1.3516 C#CCOc1cccc(c1OC)Cl 7a_200009886253_100000038162 [0,2,0,0,0,0|1,0,1]=4 8626 B13R1.3516 C#CCSc1cccc(c1OC)Br 62a_100000038162_100010146560 [0,2,0,0,0,0|1,0,1]=4 8627 B13R1.3516 C#CCSc1cccc(c1OC)C 62a_100000038162_100010141385 [0,2,0,0,0,0|1,0,1]=4 8628 B13R1.3516 C#CCSc1cccc(c1OC)Cl 62a_100000038162_100010147678 [0,2,0,0,0,0|1,0,1]=4 8629 B13R1.3516 C#CCSc1cccc(c1OC)F 62a_100000038162_100009816759 [0,2,0,0,0,0|1,0,1]=4 8630 B13R1.3516 C#CCSc1cccc(c1OC)O 62a_100000038162_100010234590 [0,2,0,0,0,0|1,0,1]=4 8631 B13R1.3516 C=CCNc1cccc(c1OC)Br 34a_100011935253_100015514636 [0,2,0,0,0,0|1,0,1]=4 8632 B13R1.3516 C=CCNc1cccc(c1OC)C 34a_100012017360_100015514636 [0,2,0,0,0,0|1,0,1]=4 8633 B13R1.3516 C=CCNc1cccc(c1OC)Cl 2230a_100000743799_100000210623 [0,2,0,0,0,0|1,0,1]=4 8634 B13R1.3516 C=CCNc1cccc(c1OC)Cl 34a_100000743799_100015514636 [0,2,0,0,0,0|1,0,1]=4 8635 B13R1.3516 C=CCNc1cccc(c1OC)F 34a_100011215007_100015514636 [0,2,0,0,0,0|1,0,1]=4 8636 B13R1.3516 C=CCOc1cccc(c1OC)Br 34a_100010234590_100015514636 [0,2,0,0,0,0|1,0,1]=4 8637 B13R1.3516 C=CCOc1cccc(c1OC)Cl 34a_200009886253_100015514636 [0,2,0,0,0,0|1,0,1]=4 8638 B13R1.3516 C=CCOc1cccc(c1OC)Cl 7a_200009886253_100015514636 [0,2,0,0,0,0|1,0,1]=4 8639 B13R1.3516 C=CCSc1cccc(c1OC)Br 62a_100000210623_100010146560 [0,2,0,0,0,0|1,0,1]=4 8640 B13R1.3516 C=CCSc1cccc(c1OC)Br 62a_100010146560_100000210623 [0,2,0,0,0,0|1,0,1]=4 8641 B13R1.3516 C=CCSc1cccc(c1OC)C 62a_100000210623_100010141385 [0,2,0,0,0,0|1,0,1]=4 8642 B13R1.3516 C=CCSc1cccc(c1OC)C 62a_100010141385_100000210623 [0,2,0,0,0,0|1,0,1]=4 8643 B13R1.3516 C=CCSc1cccc(c1OC)Cl 62a_100000210623_100010147678 [0,2,0,0,0,0|1,0,1]=4 8644 B13R1.3516 C=CCSc1cccc(c1OC)Cl 62a_100010147678_100000210623 [0,2,0,0,0,0|1,0,1]=4 8645 B13R1.3516 C=CCSc1cccc(c1OC)F 62a_100000210623_100009816759 [0,2,0,0,0,0|1,0,1]=4 8646 B13R1.3516 C=CCSc1cccc(c1OC)F 62a_100009816759_100000210623 [0,2,0,0,0,0|1,0,1]=4 8647 B13R1.3516 C=CCSc1cccc(c1OC)N 62a_100011935253_100000210623 [0,2,0,0,0,0|1,0,1]=4 8648 B13R1.3516 C=CCSc1cccc(c1OC)O 62a_100000210623_100010234590 [0,2,0,0,0,0|1,0,1]=4 8649 B13R1.3516 CCCCc1cccc(c1NC)N 271570a_100020621405_100010510394 [0,2,0,0,0,0|2,0,0]=4 8650 B13R1.3516 CCCCc1cccc(c1OC)Br 271570a_100020621405_100010146560 [0,2,0,0,0,0|1,0,0]=3 8651 B13R1.3516 CCCCc1cccc(c1OC)C 271570a_100020621405_100010141385 [0,2,0,0,0,0|1,0,0]=3 8652 B13R1.3516 CCCCc1cccc(c1OC)Cl 271570a_100020621405_100010147678 [0,2,0,0,0,0|1,0,0]=3 8653 B13R1.3516 CCCCc1cccc(c1OC)F 271570a_100020621405_100009816759 [0,2,0,0,0,0|1,0,0]=3 8654 B13R1.3516 CCCCc1cccc(c1OC)N 271570a_100020621405_100011935253 [0,2,0,0,0,0|1,0,0]=3 8655 B13R1.3516 CCCCc1cccc(c1OC)O 271570a_100020621405_100010234590 [0,2,0,0,0,0|1,0,0]=3 8656 B13R1.3516 CCCCc1cccc(c1SC)F 271570a_100020621405_200010709249 [0,2,0,0,0,0|1,1,0]=4 8657 B13R1.3516 CCCCc1ccnc(c1OC)C 271570a_100020621405_100000685116 [0,2,0,0,0,0|2,0,0]=4 8658 B13R1.3516 CCCCc1ccnc(c1OC)Cl 271570a_100020621405_100010068014 [0,2,0,0,0,0|2,0,0]=4 8659 B13R1.3516 CCCCc1ccnc(c1OC)N 271570a_100020621405_100009880012 [0,2,0,0,0,0|2,0,0]=4 8660 B13R1.3516 CCCCc1cncc(c1OC)N 271570a_100020621405_100012359933 [0,2,0,0,0,0|2,0,0]=4 8661 B13R1.3516 CCCCc1nccc(c1OC)N 271570a_100020621405_100000104429 [0,2,0,0,0,0|2,0,0]=4 8662 B13R1.3516 CCCCc1nccc(c1OC)O 271570a_100020621405_100000104430 [0,2,0,0,0,0|2,0,0]=4 8663 B13R1.3516 CCCNc1cccc(c1OC)Br 34a_100011935253_100000210303 [0,2,0,0,0,0|1,0,0]=3 8664 B13R1.3516 CCCNc1cccc(c1OC)C 34a_100012017360_100000210303 [0,2,0,0,0,0|1,0,0]=3 8665 B13R1.3516 CCCNc1cccc(c1OC)Cl 2230a_100000743799_100000210303 [0,2,0,0,0,0|1,0,0]=3 8666 B13R1.3516 CCCNc1cccc(c1OC)Cl 34a_100000743799_100000210303 [0,2,0,0,0,0|1,0,0]=3 8667 B13R1.3516 CCCNc1cccc(c1OC)F 34a_100011215007_100000210303 [0,2,0,0,0,0|1,0,0]=3 8668 B13R1.3516 CCCOc1cccc(c1NC)Cl 34a_100012284061_200000210301 [0,2,0,0,0,0|2,0,0]=4 8669 B13R1.3516 CCCOc1cccc(c1N[13CH3])Cl 34a_100012284061_200025704644 [0,2,0,0,0,0|2,0,0]=4 8670 B13R1.3516 CCCOc1cccc(c1OC)Br 34a_100010234590_100000210303 [0,2,0,0,0,0|1,0,0]=3 8671 B13R1.3516 CCCOc1cccc(c1OC)Cl 34a_200009886253_100000210303 [0,2,0,0,0,0|1,0,0]=3 8672 B13R1.3516 CCCOc1cccc(c1OC)Cl 7a_200009886253_100000210303 [0,2,0,0,0,0|1,0,0]=3 8673 B13R1.3516 CCCOc1cccc(c1SC)C 34a_200000099257_100000210303 [0,2,0,0,0,0|1,1,0]=4 8674 B13R1.3516 CCCOc1cccc(c1SC)C 7a_200000099257_100000210303 [0,2,0,0,0,0|1,1,0]=4 8675 B13R1.3516 CCCOc1ccnc(c1OC)Cl 34a_100000104430_100000210303 [0,2,0,0,0,0|2,0,0]=4 8676 B13R1.3516 CCCSc1cccc(c1NC)N 62a_100010510394_100000210303 [0,2,0,0,0,0|2,0,0]=4 8677 B13R1.3516 CCCSc1cccc(c1OC)Br 62a_100000210303_100010146560 [0,2,0,0,0,0|1,0,0]=3 8678 B13R1.3516 CCCSc1cccc(c1OC)Br 62a_100010146560_100000210303 [0,2,0,0,0,0|1,0,0]=3 8679 B13R1.3516 CCCSc1cccc(c1OC)C 62a_100000210303_100010141385 [0,2,0,0,0,0|1,0,0]=3 8680 B13R1.3516 CCCSc1cccc(c1OC)C 62a_100010141385_100000210303 [0,2,0,0,0,0|1,0,0]=3 8681 B13R1.3516 CCCSc1cccc(c1OC)Cl 62a_100000210303_100010147678 [0,2,0,0,0,0|1,0,0]=3 8682 B13R1.3516 CCCSc1cccc(c1OC)Cl 62a_100010147678_100000210303 [0,2,0,0,0,0|1,0,0]=3 8683 B13R1.3516 CCCSc1cccc(c1OC)F 62a_100000210303_100009816759 [0,2,0,0,0,0|1,0,0]=3 8684 B13R1.3516 CCCSc1cccc(c1OC)F 62a_100009816759_100000210303 [0,2,0,0,0,0|1,0,0]=3 8685 B13R1.3516 CCCSc1cccc(c1OC)N 62a_100011935253_100000210303 [0,2,0,0,0,0|1,0,0]=3 8686 B13R1.3516 CCCSc1cccc(c1OC)O 62a_100000210303_100010234590 [0,2,0,0,0,0|1,0,0]=3 8687 B13R1.3516 CCCSc1cccc(c1SC)F 62a_100000210303_200010709249 [0,2,0,0,0,0|1,1,0]=4 8688 B13R1.3516 CCCSc1cccc(c1SC)F 62a_200010709249_100000210303 [0,2,0,0,0,0|1,1,0]=4 8689 B13R1.3516 CCCSc1ccnc(c1OC)C 62a_100000210303_100000685116 [0,2,0,0,0,0|2,0,0]=4 8690 B13R1.3516 CCCSc1ccnc(c1OC)C 62a_100000685116_100000210303 [0,2,0,0,0,0|2,0,0]=4 8691 B13R1.3516 CCCSc1ccnc(c1OC)Cl 62a_100000210303_100010068014 [0,2,0,0,0,0|2,0,0]=4 8692 B13R1.3516 CCCSc1ccnc(c1OC)Cl 62a_100010068014_100000210303 [0,2,0,0,0,0|2,0,0]=4 8693 B13R1.3516 CCCSc1ccnc(c1OC)N 62a_100000210303_100009880012 [0,2,0,0,0,0|2,0,0]=4 8694 B13R1.3516 CCCSc1ccnc(c1OC)N 62a_100009880012_100000210303 [0,2,0,0,0,0|2,0,0]=4 8695 B13R1.3516 CCCSc1cncc(c1OC)N 62a_100000210303_100012359933 [0,2,0,0,0,0|2,0,0]=4 8696 B13R1.3516 CCCSc1cncc(c1OC)N 62a_100012359933_100000210303 [0,2,0,0,0,0|2,0,0]=4 8697 B13R1.3516 CCCSc1nccc(c1OC)N 62a_100000104429_100000210303 [0,2,0,0,0,0|2,0,0]=4 8698 B13R1.3516 CCCSc1nccc(c1OC)N 62a_100000210303_100000104429 [0,2,0,0,0,0|2,0,0]=4 8699 B13R1.3516 CCCSc1nccc(c1OC)O 62a_100000210303_100000104430 [0,2,0,0,0,0|2,0,0]=4 8700 B13R1.3516 CCNCc1cccc(c1OC)Br 207a_100015525214_100000692592 [0,2,0,0,0,0|1,0,0]=3 8701 B13R1.3516 CCNCc1cccc(c1OC)Br 2230a_100015525214_100011470457 [0,2,0,0,0,0|1,0,0]=3 8702 B13R1.3516 CCNCc1cccc(c1OC)Br 270004a_100015525214_100000692592 [0,2,0,0,0,0|1,0,0]=3 8703 B13R1.3516 CCNCc1cccc(c1OC)C 207a_100015525214_100011361485 [0,2,0,0,0,0|1,0,0]=3 8704 B13R1.3516 CCNCc1cccc(c1OC)C 2230a_100015525214_100012349798 [0,2,0,0,0,0|1,0,0]=3 8705 B13R1.3516 CCNCc1cccc(c1OC)C 270004a_100015525214_100011361485 [0,2,0,0,0,0|1,0,0]=3 8706 B13R1.3516 CCNCc1cccc(c1OC)Cl 207a_100015525214_100011466644 [0,2,0,0,0,0|1,0,0]=3 8707 B13R1.3516 CCNCc1cccc(c1OC)Cl 270004a_100015525214_100011466644 [0,2,0,0,0,0|1,0,0]=3 8708 B13R1.3516 CCNCc1cccc(c1OC)F 207a_100015525214_100011830294 [0,2,0,0,0,0|1,0,0]=3 8709 B13R1.3516 CCNCc1cccc(c1OC)F 270004a_100015525214_100011830294 [0,2,0,0,0,0|1,0,0]=3 8710 B13R1.3516 CCNCc1cccc(c1OC)F 34a_100137345168_100000210202 [0,2,0,0,0,0|1,0,0]=3 8711 B13R1.3516 CCNCc1ccnc(c1OC)Br 270004a_100015525214_200009814792 [0,2,0,0,0,0|2,0,0]=4 8712 B13R1.3516 CCNCc1ccnc(c1OC)Cl 207a_100015525214_100009863717 [0,2,0,0,0,0|2,0,0]=4 8713 B13R1.3516 CCNCc1ccnc(c1OC)Cl 270004a_100015525214_100009863717 [0,2,0,0,0,0|2,0,0]=4 8714 B13R1.3516 CCNCc1cncc(c1OC)Br 207a_100015525214_100015834815 [0,2,0,0,0,0|2,0,0]=4 8715 B13R1.3516 CCNCc1cncc(c1OC)Br 270004a_100015525214_100015834815 [0,2,0,0,0,0|2,0,0]=4 8716 B13R1.3516 CCNCc1nccc(c1OC)Cl 2230a_100015525214_100015371371 [0,2,0,0,0,0|2,0,0]=4 8717 B13R1.3516 CCOCc1cccc(c1OC)Br 34a_100000704359_100000210202 [0,2,0,0,0,0|1,0,0]=3 8718 B13R1.3516 CCOCc1cccc(c1OC)Br 34a_100121572206_100011470457 [0,2,0,0,0,0|1,0,0]=3 8719 B13R1.3516 CCOCc1cccc(c1OC)Br 7a_100000704359_100000210202 [0,2,0,0,0,0|1,0,0]=3 8720 B13R1.3516 CCOCc1cccc(c1OC)C 34a_100012184769_100000210202 [0,2,0,0,0,0|1,0,0]=3 8721 B13R1.3516 CCOCc1cccc(c1OC)C 34a_100121572206_100012349798 [0,2,0,0,0,0|1,0,0]=3 8722 B13R1.3516 CCOCc1cccc(c1OC)C 7a_100012184769_100000210202 [0,2,0,0,0,0|1,0,0]=3 8723 B13R1.3516 CCOCc1cccc(c1OC)F 34a_100011830279_100000210202 [0,2,0,0,0,0|1,0,0]=3 8724 B13R1.3516 CCOCc1cccc(c1OC)F 7a_100011830279_100000210202 [0,2,0,0,0,0|1,0,0]=3 8725 B13R1.3516 CCOCc1nccc(c1OC)Cl 34a_100009869429_100000210202 [0,2,0,0,0,0|2,0,0]=4 8726 B13R1.3516 CCOCc1nccc(c1OC)Cl 34a_100121572206_100015371371 [0,2,0,0,0,0|2,0,0]=4 8727 B13R1.3516 CCSCc1cccc(c1OC)Br 62a_100000210202_100011470457 [0,2,0,0,0,0|1,0,0]=3 8728 B13R1.3516 CCSCc1cccc(c1OC)Br 62a_100011470457_100000210202 [0,2,0,0,0,0|1,0,0]=3 8729 B13R1.3516 CCSCc1cccc(c1OC)C 62a_100000210202_100012349798 [0,2,0,0,0,0|1,0,0]=3 8730 B13R1.3516 CCSCc1cccc(c1OC)C 62a_100012349798_100000210202 [0,2,0,0,0,0|1,0,0]=3 8731 B13R1.3516 CCSCc1nccc(c1OC)Cl 62a_100000210202_100015371371 [0,2,0,0,0,0|2,0,0]=4 8732 B13R1.3516 CCSCc1nccc(c1OC)Cl 62a_100015371371_100000210202 [0,2,0,0,0,0|2,0,0]=4 8733 B13R1.3516 CNc1c(cccc1SCCF)N 62a_100010510394_100011217306 [0,2,0,0,0,0|2,0,0]=4 8734 B13R1.3516 CNc1c(cccc1SCCO)N 62a_100010510394_100000211926 [0,2,0,0,0,0|2,0,0]=4 8735 B13R1.3516 COCNc1cccc(c1OC)Cl 2230a_100000743799_100000766300 [0,2,0,0,0,0|2,0,0]=4 8736 B13R1.3516 COCSc1cccc(c1OC)Br 62a_100000766300_100010146560 [0,2,0,0,0,0|2,0,0]=4 8737 B13R1.3516 COCSc1cccc(c1OC)Br 62a_100010146560_100000766300 [0,2,0,0,0,0|2,0,0]=4 8738 B13R1.3516 COCSc1cccc(c1OC)C 62a_100000766300_100010141385 [0,2,0,0,0,0|2,0,0]=4 8739 B13R1.3516 COCSc1cccc(c1OC)C 62a_100010141385_100000766300 [0,2,0,0,0,0|2,0,0]=4 8740 B13R1.3516 COCSc1cccc(c1OC)Cl 62a_100000766300_100010147678 [0,2,0,0,0,0|2,0,0]=4 8741 B13R1.3516 COCSc1cccc(c1OC)Cl 62a_100010147678_100000766300 [0,2,0,0,0,0|2,0,0]=4 8742 B13R1.3516 COCSc1cccc(c1OC)F 62a_100000766300_100009816759 [0,2,0,0,0,0|2,0,0]=4 8743 B13R1.3516 COCSc1cccc(c1OC)F 62a_100009816759_100000766300 [0,2,0,0,0,0|2,0,0]=4 8744 B13R1.3516 COCSc1cccc(c1OC)N 62a_100011935253_100000766300 [0,2,0,0,0,0|2,0,0]=4 8745 B13R1.3516 COCSc1cccc(c1OC)O 62a_100000766300_100010234590 [0,2,0,0,0,0|2,0,0]=4 8746 B13R1.3516 COc1c(cccc1CNCF)F 34a_100137345168_100015361967 [0,2,0,0,0,0|1,0,0]=3 8747 B13R1.3516 COc1c(cccc1COCF)Br 34a_100000704359_100015361967 [0,2,0,0,0,0|1,0,0]=3 8748 B13R1.3516 COc1c(cccc1COCF)Br 7a_100000704359_100015361967 [0,2,0,0,0,0|1,0,0]=3 8749 B13R1.3516 COc1c(cccc1COCF)C 34a_100012184769_100015361967 [0,2,0,0,0,0|1,0,0]=3 8750 B13R1.3516 COc1c(cccc1COCF)C 7a_100012184769_100015361967 [0,2,0,0,0,0|1,0,0]=3 8751 B13R1.3516 COc1c(cccc1COCF)F 34a_100011830279_100015361967 [0,2,0,0,0,0|1,0,0]=3 8752 B13R1.3516 COc1c(cccc1COCF)F 7a_100011830279_100015361967 [0,2,0,0,0,0|1,0,0]=3 8753 B13R1.3516 COc1c(cccc1CSCF)Br 62a_100011470457_100015361967 [0,2,0,0,0,0|1,0,0]=3 8754 B13R1.3516 COc1c(cccc1CSCF)Br 62a_100015361967_100011470457 [0,2,0,0,0,0|1,0,0]=3 8755 B13R1.3516 COc1c(cccc1CSCF)C 62a_100012349798_100015361967 [0,2,0,0,0,0|1,0,0]=3 8756 B13R1.3516 COc1c(cccc1CSCF)C 62a_100015361967_100012349798 [0,2,0,0,0,0|1,0,0]=3 8757 B13R1.3516 COc1c(cccc1NCC#N)Cl 2230a_100000743799_100011215382 [0,2,0,0,0,0|0,0,2]=4 8758 B13R1.3516 COc1c(cccc1NCC=O)Br 34a_100011935253_200009817547 [0,2,0,0,0,0|1,0,1]=4 8759 B13R1.3516 COc1c(cccc1NCC=O)C 34a_100012017360_200009817547 [0,2,0,0,0,0|1,0,1]=4 8760 B13R1.3516 COc1c(cccc1NCC=O)Cl 2230a_100000743799_200015260668 [0,2,0,0,0,0|1,0,1]=4 8761 B13R1.3516 COc1c(cccc1NCC=O)Cl 34a_100000743799_200009817547 [0,2,0,0,0,0|1,0,1]=4 8762 B13R1.3516 COc1c(cccc1NCC=O)F 34a_100011215007_200009817547 [0,2,0,0,0,0|1,0,1]=4 8763 B13R1.3516 COc1c(cccc1NCCF)Br 34a_100011935253_100011217306 [0,2,0,0,0,0|1,0,0]=3 8764 B13R1.3516 COc1c(cccc1NCCF)C 34a_100012017360_100011217306 [0,2,0,0,0,0|1,0,0]=3 8765 B13R1.3516 COc1c(cccc1NCCF)Cl 2230a_100000743799_100011217306 [0,2,0,0,0,0|1,0,0]=3 8766 B13R1.3516 COc1c(cccc1NCCF)Cl 34a_100000743799_100011217306 [0,2,0,0,0,0|1,0,0]=3 8767 B13R1.3516 COc1c(cccc1NCCF)F 34a_100011215007_100011217306 [0,2,0,0,0,0|1,0,0]=3 8768 B13R1.3516 COc1c(cccc1NCCO)Br 34a_100011935253_100000211926 [0,2,0,0,0,0|1,0,0]=3 8769 B13R1.3516 COc1c(cccc1NCCO)C 34a_100012017360_100000211926 [0,2,0,0,0,0|1,0,0]=3 8770 B13R1.3516 COc1c(cccc1NCCO)Cl 2230a_100000743799_100000211926 [0,2,0,0,0,0|1,0,0]=3 8771 B13R1.3516 COc1c(cccc1NCCO)Cl 34a_100000743799_100000211926 [0,2,0,0,0,0|1,0,0]=3 8772 B13R1.3516 COc1c(cccc1NCCO)F 34a_100011215007_100000211926 [0,2,0,0,0,0|1,0,0]=3 8773 B13R1.3516 COc1c(cccc1NCSC)Br 34a_100011935253_100011218213 [0,2,0,0,0,0|2,0,0]=4 8774 B13R1.3516 COc1c(cccc1NCSC)C 34a_100012017360_100011218213 [0,2,0,0,0,0|2,0,0]=4 8775 B13R1.3516 COc1c(cccc1NCSC)Cl 2230a_100000743799_100011218213 [0,2,0,0,0,0|2,0,0]=4 8776 B13R1.3516 COc1c(cccc1NCSC)Cl 34a_100000743799_100011218213 [0,2,0,0,0,0|2,0,0]=4 8777 B13R1.3516 COc1c(cccc1NCSC)F 34a_100011215007_100011218213 [0,2,0,0,0,0|2,0,0]=4 8778 B13R1.3516 COc1c(cccc1OCC#N)Cl 7a_200009886253_100011215382 [0,2,0,0,0,0|0,0,2]=4 8779 B13R1.3516 COc1c(cccc1OCC=O)Br 34a_100010234590_200009817547 [0,2,0,0,0,0|1,0,1]=4 8780 B13R1.3516 COc1c(cccc1OCC=O)Cl 34a_200009886253_200009817547 [0,2,0,0,0,0|1,0,1]=4 8781 B13R1.3516 COc1c(cccc1OCC=O)Cl 7a_200009886253_200015260668 [0,2,0,0,0,0|1,0,1]=4 8782 B13R1.3516 COc1c(cccc1OCCF)Br 34a_100010234590_100011217306 [0,2,0,0,0,0|1,0,0]=3 8783 B13R1.3516 COc1c(cccc1OCCF)Cl 34a_200009886253_100011217306 [0,2,0,0,0,0|1,0,0]=3 8784 B13R1.3516 COc1c(cccc1OCCF)Cl 7a_200009886253_100011217306 [0,2,0,0,0,0|1,0,0]=3 8785 B13R1.3516 COc1c(cccc1OCCO)Br 34a_100010234590_100000211926 [0,2,0,0,0,0|1,0,0]=3 8786 B13R1.3516 COc1c(cccc1OCCO)Cl 34a_200009886253_100000211926 [0,2,0,0,0,0|1,0,0]=3 8787 B13R1.3516 COc1c(cccc1OCCO)Cl 7a_200009886253_100000211926 [0,2,0,0,0,0|1,0,0]=3 8788 B13R1.3516 COc1c(cccc1OCSC)Br 34a_100010234590_100011218213 [0,2,0,0,0,0|2,0,0]=4 8789 B13R1.3516 COc1c(cccc1OCSC)Cl 34a_200009886253_100011218213 [0,2,0,0,0,0|2,0,0]=4 8790 B13R1.3516 COc1c(cccc1SCC#N)Br 62a_100010146560_100011215382 [0,2,0,0,0,0|0,0,2]=4 8791 B13R1.3516 COc1c(cccc1SCC#N)Br 62a_100011215382_100010146560 [0,2,0,0,0,0|0,0,2]=4 8792 B13R1.3516 COc1c(cccc1SCC#N)C 62a_100010141385_100011215382 [0,2,0,0,0,0|0,0,2]=4 8793 B13R1.3516 COc1c(cccc1SCC#N)C 62a_100011215382_100010141385 [0,2,0,0,0,0|0,0,2]=4 8794 B13R1.3516 COc1c(cccc1SCC#N)Cl 62a_100010147678_100011215382 [0,2,0,0,0,0|0,0,2]=4 8795 B13R1.3516 COc1c(cccc1SCC#N)Cl 62a_100011215382_100010147678 [0,2,0,0,0,0|0,0,2]=4 8796 B13R1.3516 COc1c(cccc1SCC#N)F 62a_100009816759_100011215382 [0,2,0,0,0,0|0,0,2]=4 8797 B13R1.3516 COc1c(cccc1SCC#N)F 62a_100011215382_100009816759 [0,2,0,0,0,0|0,0,2]=4 8798 B13R1.3516 COc1c(cccc1SCC#N)N 62a_100011935253_100011215382 [0,2,0,0,0,0|0,0,2]=4 8799 B13R1.3516 COc1c(cccc1SCC#N)O 62a_100011215382_100010234590 [0,2,0,0,0,0|0,0,2]=4 8800 B13R1.3516 COc1c(cccc1SCC=O)Br 62a_100010146560_200015260668 [0,2,0,0,0,0|1,0,1]=4 8801 B13R1.3516 COc1c(cccc1SCC=O)Br 62a_200015260668_100010146560 [0,2,0,0,0,0|1,0,1]=4 8802 B13R1.3516 COc1c(cccc1SCC=O)C 62a_100010141385_200015260668 [0,2,0,0,0,0|1,0,1]=4 8803 B13R1.3516 COc1c(cccc1SCC=O)C 62a_200015260668_100010141385 [0,2,0,0,0,0|1,0,1]=4 8804 B13R1.3516 COc1c(cccc1SCC=O)Cl 62a_100010147678_200015260668 [0,2,0,0,0,0|1,0,1]=4 8805 B13R1.3516 COc1c(cccc1SCC=O)Cl 62a_200015260668_100010147678 [0,2,0,0,0,0|1,0,1]=4 8806 B13R1.3516 COc1c(cccc1SCC=O)F 62a_100009816759_200015260668 [0,2,0,0,0,0|1,0,1]=4 8807 B13R1.3516 COc1c(cccc1SCC=O)F 62a_200015260668_100009816759 [0,2,0,0,0,0|1,0,1]=4 8808 B13R1.3516 COc1c(cccc1SCC=O)N 62a_100011935253_200015260668 [0,2,0,0,0,0|1,0,1]=4 8809 B13R1.3516 COc1c(cccc1SCC=O)O 62a_200015260668_100010234590 [0,2,0,0,0,0|1,0,1]=4 8810 B13R1.3516 COc1c(cccc1SCCF)Br 62a_100010146560_100011217306 [0,2,0,0,0,0|1,0,0]=3 8811 B13R1.3516 COc1c(cccc1SCCF)Br 62a_100011217306_100010146560 [0,2,0,0,0,0|1,0,0]=3 8812 B13R1.3516 COc1c(cccc1SCCF)C 62a_100010141385_100011217306 [0,2,0,0,0,0|1,0,0]=3 8813 B13R1.3516 COc1c(cccc1SCCF)C 62a_100011217306_100010141385 [0,2,0,0,0,0|1,0,0]=3 8814 B13R1.3516 COc1c(cccc1SCCF)Cl 62a_100010147678_100011217306 [0,2,0,0,0,0|1,0,0]=3 8815 B13R1.3516 COc1c(cccc1SCCF)Cl 62a_100011217306_100010147678 [0,2,0,0,0,0|1,0,0]=3 8816 B13R1.3516 COc1c(cccc1SCCF)F 62a_100009816759_100011217306 [0,2,0,0,0,0|1,0,0]=3 8817 B13R1.3516 COc1c(cccc1SCCF)F 62a_100011217306_100009816759 [0,2,0,0,0,0|1,0,0]=3 8818 B13R1.3516 COc1c(cccc1SCCF)N 62a_100011935253_100011217306 [0,2,0,0,0,0|1,0,0]=3 8819 B13R1.3516 COc1c(cccc1SCCF)O 62a_100011217306_100010234590 [0,2,0,0,0,0|1,0,0]=3 8820 B13R1.3516 COc1c(cccc1SCCO)Br 62a_100000211926_100010146560 [0,2,0,0,0,0|1,0,0]=3 8821 B13R1.3516 COc1c(cccc1SCCO)Br 62a_100010146560_100000211926 [0,2,0,0,0,0|1,0,0]=3 8822 B13R1.3516 COc1c(cccc1SCCO)C 62a_100000211926_100010141385 [0,2,0,0,0,0|1,0,0]=3 8823 B13R1.3516 COc1c(cccc1SCCO)C 62a_100010141385_100000211926 [0,2,0,0,0,0|1,0,0]=3 8824 B13R1.3516 COc1c(cccc1SCCO)Cl 62a_100000211926_100010147678 [0,2,0,0,0,0|1,0,0]=3 8825 B13R1.3516 COc1c(cccc1SCCO)Cl 62a_100010147678_100000211926 [0,2,0,0,0,0|1,0,0]=3 8826 B13R1.3516 COc1c(cccc1SCCO)F 62a_100000211926_100009816759 [0,2,0,0,0,0|1,0,0]=3 8827 B13R1.3516 COc1c(cccc1SCCO)F 62a_100009816759_100000211926 [0,2,0,0,0,0|1,0,0]=3 8828 B13R1.3516 COc1c(cccc1SCCO)N 62a_100011935253_100000211926 [0,2,0,0,0,0|1,0,0]=3 8829 B13R1.3516 COc1c(cccc1SCCO)O 62a_100000211926_100010234590 [0,2,0,0,0,0|1,0,0]=3 8830 B13R1.3516 COc1c(cccc1SCSC)Br 62a_100010146560_100011218213 [0,2,0,0,0,0|2,0,0]=4 8831 B13R1.3516 COc1c(cccc1SCSC)Br 62a_100011218213_100010146560 [0,2,0,0,0,0|2,0,0]=4 8832 B13R1.3516 COc1c(cccc1SCSC)C 62a_100010141385_100011218213 [0,2,0,0,0,0|2,0,0]=4 8833 B13R1.3516 COc1c(cccc1SCSC)C 62a_100011218213_100010141385 [0,2,0,0,0,0|2,0,0]=4 8834 B13R1.3516 COc1c(cccc1SCSC)Cl 62a_100010147678_100011218213 [0,2,0,0,0,0|2,0,0]=4 8835 B13R1.3516 COc1c(cccc1SCSC)Cl 62a_100011218213_100010147678 [0,2,0,0,0,0|2,0,0]=4 8836 B13R1.3516 COc1c(cccc1SCSC)F 62a_100009816759_100011218213 [0,2,0,0,0,0|2,0,0]=4 8837 B13R1.3516 COc1c(cccc1SCSC)F 62a_100011218213_100009816759 [0,2,0,0,0,0|2,0,0]=4 8838 B13R1.3516 COc1c(cccc1SCSC)N 62a_100011935253_100011218213 [0,2,0,0,0,0|2,0,0]=4 8839 B13R1.3516 COc1c(cccc1SCSC)O 62a_100011218213_100010234590 [0,2,0,0,0,0|2,0,0]=4 8840 B13R1.3516 COc1c(ccnc1C)SCCF 62a_100000685116_100011217306 [0,2,0,0,0,0|2,0,0]=4 8841 B13R1.3516 COc1c(ccnc1C)SCCF 62a_100011217306_100000685116 [0,2,0,0,0,0|2,0,0]=4 8842 B13R1.3516 COc1c(ccnc1C)SCCO 62a_100000211926_100000685116 [0,2,0,0,0,0|2,0,0]=4 8843 B13R1.3516 COc1c(ccnc1C)SCCO 62a_100000685116_100000211926 [0,2,0,0,0,0|2,0,0]=4 8844 B13R1.3516 COc1c(ccnc1COCF)Cl 34a_100009869429_100015361967 [0,2,0,0,0,0|2,0,0]=4 8845 B13R1.3516 COc1c(ccnc1CSCF)Cl 62a_100015361967_100015371371 [0,2,0,0,0,0|2,0,0]=4 8846 B13R1.3516 COc1c(ccnc1CSCF)Cl 62a_100015371371_100015361967 [0,2,0,0,0,0|2,0,0]=4 8847 B13R1.3516 COc1c(ccnc1Cl)OCCF 34a_100000104430_100011217306 [0,2,0,0,0,0|2,0,0]=4 8848 B13R1.3516 COc1c(ccnc1Cl)OCCO 34a_100000104430_100000211926 [0,2,0,0,0,0|2,0,0]=4 8849 B13R1.3516 COc1c(ccnc1Cl)SCCF 62a_100010068014_100011217306 [0,2,0,0,0,0|2,0,0]=4 8850 B13R1.3516 COc1c(ccnc1Cl)SCCF 62a_100011217306_100010068014 [0,2,0,0,0,0|2,0,0]=4 8851 B13R1.3516 COc1c(ccnc1Cl)SCCO 62a_100000211926_100010068014 [0,2,0,0,0,0|2,0,0]=4 8852 B13R1.3516 COc1c(ccnc1Cl)SCCO 62a_100010068014_100000211926 [0,2,0,0,0,0|2,0,0]=4 8853 B13R1.3516 COc1c(ccnc1N)SCCF 62a_100009880012_100011217306 [0,2,0,0,0,0|2,0,0]=4 8854 B13R1.3516 COc1c(ccnc1N)SCCF 62a_100011217306_100009880012 [0,2,0,0,0,0|2,0,0]=4 8855 B13R1.3516 COc1c(ccnc1N)SCCO 62a_100000211926_100009880012 [0,2,0,0,0,0|2,0,0]=4 8856 B13R1.3516 COc1c(ccnc1N)SCCO 62a_100009880012_100000211926 [0,2,0,0,0,0|2,0,0]=4 8857 B13R1.3516 COc1c(ccnc1SCCF)N 62a_100000104429_100011217306 [0,2,0,0,0,0|2,0,0]=4 8858 B13R1.3516 COc1c(ccnc1SCCF)N 62a_100011217306_100000104429 [0,2,0,0,0,0|2,0,0]=4 8859 B13R1.3516 COc1c(ccnc1SCCF)O 62a_100011217306_100000104430 [0,2,0,0,0,0|2,0,0]=4 8860 B13R1.3516 COc1c(ccnc1SCCO)N 62a_100000104429_100000211926 [0,2,0,0,0,0|2,0,0]=4 8861 B13R1.3516 COc1c(ccnc1SCCO)N 62a_100000211926_100000104429 [0,2,0,0,0,0|2,0,0]=4 8862 B13R1.3516 COc1c(ccnc1SCCO)O 62a_100000211926_100000104430 [0,2,0,0,0,0|2,0,0]=4 8863 B13R1.3516 COc1c(cncc1SCCF)N 62a_100011217306_100012359933 [0,2,0,0,0,0|2,0,0]=4 8864 B13R1.3516 COc1c(cncc1SCCF)N 62a_100012359933_100011217306 [0,2,0,0,0,0|2,0,0]=4 8865 B13R1.3516 COc1c(cncc1SCCO)N 62a_100000211926_100012359933 [0,2,0,0,0,0|2,0,0]=4 8866 B13R1.3516 COc1c(cncc1SCCO)N 62a_100012359933_100000211926 [0,2,0,0,0,0|2,0,0]=4 8867 B13R1.3516 CSc1c(cccc1OCCF)C 34a_200000099257_100011217306 [0,2,0,0,0,0|1,1,0]=4 8868 B13R1.3516 CSc1c(cccc1OCCF)C 7a_200000099257_100011217306 [0,2,0,0,0,0|1,1,0]=4 8869 B13R1.3516 CSc1c(cccc1OCCO)C 34a_200000099257_100000211926 [0,2,0,0,0,0|1,1,0]=4 8870 B13R1.3516 CSc1c(cccc1OCCO)C 7a_200000099257_100000211926 [0,2,0,0,0,0|1,1,0]=4 8871 B13R1.3516 CSc1c(cccc1SCCF)F 62a_100011217306_200010709249 [0,2,0,0,0,0|1,1,0]=4 8872 B13R1.3516 CSc1c(cccc1SCCF)F 62a_200010709249_100011217306 [0,2,0,0,0,0|1,1,0]=4 8873 B13R1.3516 CSc1c(cccc1SCCO)F 62a_100000211926_200010709249 [0,2,0,0,0,0|1,1,0]=4 8874 B13R1.3516 CSc1c(cccc1SCCO)F 62a_200010709249_100000211926 [0,2,0,0,0,0|1,1,0]=4 8875 B13R1.3910 C=CCc1cccc(c1OCC)C 34a_200011218211_100000210202 [0,2,0,0,0,0|1,0,1]=4 8876 B13R1.3910 C=CCc1cccc(c1OCC)C 7a_200011218211_100000210202 [0,2,0,0,0,0|1,0,1]=4 8877 B13R1.3910 C=CCc1cccc(c1OCF)C 34a_200011218211_100015361967 [0,2,0,0,0,0|1,0,1]=4 8878 B13R1.3910 C=CCc1cccc(c1OCF)C 7a_200011218211_100015361967 [0,2,0,0,0,0|1,0,1]=4 8879 B13R1.3910 CCNc1c(cccc1OCC)Br 34a_200103155331_100000210202 [0,2,0,0,0,0|2,0,0]=4 8880 B13R1.3910 CCNc1c(cccc1OCC)Cl 34a_100012284057_100000210202 [0,2,0,0,0,0|2,0,0]=4 8881 B13R1.3910 CCNc1cccc(c1OCC)Cl 2230a_100000744310_100000210202 [0,2,0,0,0,0|2,0,0]=4 8882 B13R1.3910 CCNc1cccc(c1OCC)Cl 34a_100000744310_100000210202 [0,2,0,0,0,0|2,0,0]=4 8883 B13R1.3910 CCOc1c(cccc1NCF)Cl 34a_100000744310_100015361967 [0,2,0,0,0,0|2,0,0]=4 8884 B13R1.3910 CCOc1c(cccc1SCC)F 62a_100000210202_100010232518 [0,2,0,0,0,0|2,0,0]=4 8885 B13R1.3910 CCOc1c(cccc1SCC)F 62a_100010232518_100000210202 [0,2,0,0,0,0|2,0,0]=4 8886 B13R1.3910 CCOc1c(cccc1SCF)F 62a_100010232518_100015361967 [0,2,0,0,0,0|2,0,0]=4 8887 B13R1.3910 CCOc1c(cccc1SCF)F 62a_100015361967_100010232518 [0,2,0,0,0,0|2,0,0]=4 8888 B13R1.3910 CCOc1cccc(c1CNC)F 207a_100102657272_200013041550 [0,2,0,0,0,0|2,0,0]=4 8889 B13R1.3910 CCOc1cccc(c1CNC)F 270004a_106832991635_200013041550 [0,2,0,0,0,0|2,0,0]=4 8890 B13R1.3910 CCOc1cccc(c1CNC)F 34a_200011324351_200000210301 [0,2,0,0,0,0|2,0,0]=4 8891 B13R1.3910 CCOc1cccc(c1CN[13CH3])F 34a_200011324351_200025704644 [0,2,0,0,0,0|2,0,0]=4 8892 B13R1.3910 CCOc1cccc(c1NCF)Br 34a_200103155331_100015361967 [0,2,0,0,0,0|2,0,0]=4 8893 B13R1.3910 CCOc1cccc(c1NCF)Cl 34a_100012284057_100015361967 [0,2,0,0,0,0|2,0,0]=4 8894 B13R1.355 C=CCc1cc(ccc1OC)OC 7a_200000185190_200000210301 [0,2,0,0,0,0|1,0,1]=4 8895 B13R1.355 C=CCc1cc(ccc1O[13CH3])OC 7a_200000185190_200025704644 [0,2,0,0,0,0|1,0,1]=4 8896 B13R1.355 C=Cc1ccc(c(c1)CC#N)OC 271570a_100011290941_200011218486 [0,2,0,0,0,0|0,0,2]=4 8897 B13R1.355 C=Cc1ccc(c(c1)CCN)OC 271570a_100011290941_100000763266 [0,2,0,0,0,0|0,0,0]=2 8898 B13R1.355 C=Cc1ccc(c(c1)CNC)OC 271570a_100011290941_100000690607 [0,2,0,0,0,0|2,0,0]=4 8899 B13R1.355 C=Cc1ccc(c(c1)COC)OC 271570a_100011290941_200011493686 [0,2,0,0,0,0|2,0,0]=4 8900 B13R1.355 C=Cc1ccc(c(c1)OCC)OC 271570a_100011290941_200010219349 [0,2,0,0,0,0|2,0,0]=4 8901 B13R1.355 CCNc1cc(ccc1OC)C#N 34a_100000747721_100000210202 [0,2,0,0,0,0|2,0,0]=4 8902 B13R1.355 CCNc1cc(ccc1OC)C#N 7a_100000747721_100000210202 [0,2,0,0,0,0|2,0,0]=4 8903 B13R1.355 CCNc1cc(ccc1OC)CC 2230a_100012035449_100000210202 [0,2,0,0,0,0|2,0,0]=4 8904 B13R1.355 CCNc1cc(ccc1OC)CC 34a_100012035449_100000210202 [0,2,0,0,0,0|2,0,0]=4 8905 B13R1.355 CCNc1cc(ccc1OC)CO 2230a_100011269841_100000210202 [0,2,0,0,0,0|2,0,0]=4 8906 B13R1.355 CCNc1cc(ccc1OC)CO 34a_100011269841_100000210202 [0,2,0,0,0,0|2,0,0]=4 8907 B13R1.355 CCNc1cc(ccc1OC)OC 2230a_100000184736_100000210202 [0,2,0,0,0,0|2,0,0]=4 8908 B13R1.355 CCNc1cc(ccc1OC)OC 34a_100000184736_100000210202 [0,2,0,0,0,0|2,0,0]=4 8909 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000181481_200000210301 [0,2,0,0,0,0|2,0,0]=4 8910 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000188611_100000210202 [0,2,0,0,0,0|2,0,0]=4 8911 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000181481_200000210301 [0,2,0,0,0,0|2,0,0]=4 8912 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000188611_100000210202 [0,2,0,0,0,0|2,0,0]=4 8913 B13R1.355 CCOc1cc(ccc1OC)CC 34a_100009844796_100000210202 [0,2,0,0,0,0|2,0,0]=4 8914 B13R1.355 CCOc1cc(ccc1OC)CC 7a_100009844796_100000210202 [0,2,0,0,0,0|2,0,0]=4 8915 B13R1.355 CCOc1cc(ccc1OC)CN 34a_100000740000_100000210202 [0,2,0,0,0,0|2,0,0]=4 8916 B13R1.355 CCOc1cc(ccc1OC)CN 34a_200000751567_200000210301 [0,2,0,0,0,0|2,0,0]=4 8917 B13R1.355 CCOc1cc(ccc1OC)CO 34a_100011215239_100000210202 [0,2,0,0,0,0|2,0,0]=4 8918 B13R1.355 CCOc1cc(ccc1OC)CO 34a_200011232662_200000210301 [0,2,0,0,0,0|2,0,0]=4 8919 B13R1.355 CCOc1cc(ccc1OC)OC 34a_100000074795_100000210202 [0,2,0,0,0,0|2,0,0]=4 8920 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 34a_100000181481_200025704644 [0,2,0,0,0,0|2,0,0]=4 8921 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 7a_100000181481_200025704644 [0,2,0,0,0,0|2,0,0]=4 8922 B13R1.355 CCOc1cc(ccc1O[13CH3])CN 34a_200000751567_200025704644 [0,2,0,0,0,0|2,0,0]=4 8923 B13R1.355 CCOc1cc(ccc1O[13CH3])CO 34a_200011232662_200025704644 [0,2,0,0,0,0|2,0,0]=4 8924 B13R1.355 CCSc1cc(ccc1OC)C#N 62a_100000210202_100000188253 [0,2,0,0,0,0|2,0,0]=4 8925 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000173361_100000210202 [0,2,0,0,0,0|2,0,0]=4 8926 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000210202_100000173361 [0,2,0,0,0,0|2,0,0]=4 8927 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100000210202_100010062400 [0,2,0,0,0,0|2,0,0]=4 8928 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100010062400_100000210202 [0,2,0,0,0,0|2,0,0]=4 8929 B13R1.355 CCSc1cc(ccc1OC)CN 62a_100000210202_100159240714 [0,2,0,0,0,0|2,0,0]=4 8930 B13R1.355 CCSc1cc(ccc1OC)CN 62a_100159240714_100000210202 [0,2,0,0,0,0|2,0,0]=4 8931 B13R1.355 CCSc1cc(ccc1OC)CO 62a_100000210202_100000246451 [0,2,0,0,0,0|2,0,0]=4 8932 B13R1.355 CCSc1cc(ccc1OC)CO 62a_100000246451_100000210202 [0,2,0,0,0,0|2,0,0]=4 8933 B13R1.355 CCSc1cc(ccc1OC)NC 62a_100000210202_114948341033 [0,2,0,0,0,0|2,0,0]=4 8934 B13R1.355 CCSc1cc(ccc1OC)NC 62a_114948341033_100000210202 [0,2,0,0,0,0|2,0,0]=4 8935 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100000210202_100011215452 [0,2,0,0,0,0|2,0,0]=4 8936 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100011215452_100000210202 [0,2,0,0,0,0|2,0,0]=4 8937 B13R1.355 CCc1ccc(c(c1)CNC)OC 207a_100102657272_200000117280 [0,2,0,0,0,0|2,0,0]=4 8938 B13R1.355 CCc1ccc(c(c1)CNC)OC 26a_100102657272_100009844796 [0,2,0,0,0,0|2,0,0]=4 8939 B13R1.355 CCc1ccc(c(c1)CNC)OC 270004a_106832991635_200000117280 [0,2,0,0,0,0|2,0,0]=4 8940 B13R1.355 CCc1ccc(c(c1)NCF)OC 34a_100012035449_100015361967 [0,2,0,0,0,0|2,0,0]=4 8941 B13R1.355 CCc1ccc(c(c1)OCF)OC 34a_100009844796_100015361967 [0,2,0,0,0,0|2,0,0]=4 8942 B13R1.355 CCc1ccc(c(c1)OCF)OC 7a_100009844796_100015361967 [0,2,0,0,0,0|2,0,0]=4 8943 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100010062400_100015361967 [0,2,0,0,0,0|2,0,0]=4 8944 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100015361967_100010062400 [0,2,0,0,0,0|2,0,0]=4 8945 B13R1.355 CNCc1cc(ccc1OC)C#N 207a_100102657272_100012017408 [0,2,0,0,0,0|2,0,0]=4 8946 B13R1.355 CNCc1cc(ccc1OC)C#N 26a_100102657272_100000188611 [0,2,0,0,0,0|2,0,0]=4 8947 B13R1.355 CNCc1cc(ccc1OC)C#N 270004a_106832991635_100012017408 [0,2,0,0,0,0|2,0,0]=4 8948 B13R1.355 CNCc1cc(ccc1OC)C=O 2230a_106832991635_100000028394 [0,2,0,0,0,0|2,0,0]=4 8949 B13R1.355 CNCc1cc(ccc1OC)C=O 34a_100102657272_100000028394 [0,2,0,0,0,0|2,0,0]=4 8950 B13R1.355 CNCc1cc(ccc1OC)C=O 7a_106832991635_100000028394 [0,2,0,0,0,0|2,0,0]=4 8951 B13R1.355 CNCc1cc(ccc1OC)CO 26a_100102657272_100011215239 [0,2,0,0,0,0|2,0,0]=4 8952 B13R1.355 CNCc1cc(ccc1OC)OC 207a_100102657272_100000170336 [0,2,0,0,0,0|2,0,0]=4 8953 B13R1.355 CNCc1cc(ccc1OC)OC 26a_100102657272_100000074795 [0,2,0,0,0,0|2,0,0]=4 8954 B13R1.355 CNCc1cc(ccc1OC)OC 270004a_106832991635_100000170336 [0,2,0,0,0,0|2,0,0]=4 8955 B13R1.355 CNCc1cc(ccc1OC)OC 34a_100000185951_200000210301 [0,2,0,0,0,0|2,0,0]=4 8956 B13R1.355 CNCc1cc(ccc1OC)OC 34a_100102657272_100011233847 [0,2,0,0,0,0|2,0,0]=4 8957 B13R1.355 CNCc1cc(ccc1OC)OC 7a_106832991635_100000205131 [0,2,0,0,0,0|2,0,0]=4 8958 B13R1.355 CNCc1cc(ccc1OC)SC 62a_100000690607_200000210301 [0,2,0,0,0,0|2,0,0]=4 8959 B13R1.355 CNCc1cc(ccc1OC)SC 62a_200000210301_100000690607 [0,2,0,0,0,0|2,0,0]=4 8960 B13R1.355 CNCc1cc(ccc1OC)S[13CH3] 62a_100000690607_200025704644 [0,2,0,0,0,0|2,0,0]=4 8961 B13R1.355 CNCc1cc(ccc1OC)S[13CH3] 62a_200025704644_100000690607 [0,2,0,0,0,0|2,0,0]=4 8962 B13R1.355 CNc1ccc(c(c1)SCF)OC 62a_100015361967_114948341033 [0,2,0,0,0,0|2,0,0]=4 8963 B13R1.355 CNc1ccc(c(c1)SCF)OC 62a_114948341033_100015361967 [0,2,0,0,0,0|2,0,0]=4 8964 B13R1.355 COCc1cc(ccc1OC)C=O 34a_100138415774_100000028394 [0,2,0,0,0,0|2,0,0]=4 8965 B13R1.355 COCc1cc(ccc1OC)OC 34a_100000212306_200000210301 [0,2,0,0,0,0|2,0,0]=4 8966 B13R1.355 COCc1cc(ccc1OC)OC 34a_100138415774_100011233847 [0,2,0,0,0,0|2,0,0]=4 8967 B13R1.355 COCc1cc(ccc1OC)SC 62a_200000210301_200011493686 [0,2,0,0,0,0|2,0,0]=4 8968 B13R1.355 COCc1cc(ccc1OC)SC 62a_200011493686_200000210301 [0,2,0,0,0,0|2,0,0]=4 8969 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200011493686_200025704644 [0,2,0,0,0,0|2,0,0]=4 8970 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200011493686 [0,2,0,0,0,0|2,0,0]=4 8971 B13R1.355 COc1ccc(c(c1)CCO)SC 62a_100012259501_200000210301 [0,2,0,0,0,0|1,1,0]=4 8972 B13R1.355 COc1ccc(c(c1)CCO)SC 62a_200000210301_100012259501 [0,2,0,0,0,0|1,1,0]=4 8973 B13R1.355 COc1ccc(c(c1)CCO)S[13CH3] 62a_100012259501_200025704644 [0,2,0,0,0,0|1,1,0]=4 8974 B13R1.355 COc1ccc(c(c1)CCO)S[13CH3] 62a_200025704644_100012259501 [0,2,0,0,0,0|1,1,0]=4 8975 B13R1.355 COc1ccc(c(c1)CN[13CH3])OC 34a_100000185951_200025704644 [0,2,0,0,0,0|2,0,0]=4 8976 B13R1.355 COc1ccc(c(c1)CO[13CH3])OC 34a_100000212306_200025704644 [0,2,0,0,0,0|2,0,0]=4 8977 B13R1.355 COc1ccc(c(c1)CSC)OC 62a_100000205131_200000210301 [0,2,0,0,0,0|2,0,0]=4 8978 B13R1.355 COc1ccc(c(c1)CSC)OC 62a_200000210301_100011233847 [0,2,0,0,0,0|2,0,0]=4 8979 B13R1.355 COc1ccc(c(c1)CS[13CH3])OC 62a_100000205131_200025704644 [0,2,0,0,0,0|2,0,0]=4 8980 B13R1.355 COc1ccc(c(c1)CS[13CH3])OC 62a_200025704644_100011233847 [0,2,0,0,0,0|2,0,0]=4 8981 B13R1.355 COc1ccc(c(c1)NCF)OC 34a_100000184736_100015361967 [0,2,0,0,0,0|2,0,0]=4 8982 B13R1.355 COc1ccc(c(c1)OCF)OC 34a_100000074795_100015361967 [0,2,0,0,0,0|2,0,0]=4 8983 B13R1.355 COc1ccc(c(c1)SCF)OC 62a_100011215452_100015361967 [0,2,0,0,0,0|2,0,0]=4 8984 B13R1.355 COc1ccc(c(c1)SCF)OC 62a_100015361967_100011215452 [0,2,0,0,0,0|2,0,0]=4 8985 B13R1.355 COc1ccc(cc1CC#N)SC 62a_200000210301_200011218486 [0,2,0,0,0,0|0,0,2]=4 8986 B13R1.355 COc1ccc(cc1CC#N)SC 62a_200011218486_200000210301 [0,2,0,0,0,0|0,0,2]=4 8987 B13R1.355 COc1ccc(cc1CC#N)S[13CH3] 62a_200011218486_200025704644 [0,2,0,0,0,0|0,0,2]=4 8988 B13R1.355 COc1ccc(cc1CC#N)S[13CH3] 62a_200025704644_200011218486 [0,2,0,0,0,0|0,0,2]=4 8989 B13R1.355 COc1ccc(cc1CCN)SC 62a_100000763266_200000210301 [0,2,0,0,0,0|0,0,0]=2 8990 B13R1.355 COc1ccc(cc1CCN)SC 62a_200000210301_100000763266 [0,2,0,0,0,0|0,0,0]=2 8991 B13R1.355 COc1ccc(cc1CCN)S[13CH3] 62a_100000763266_200025704644 [0,2,0,0,0,0|0,0,0]=2 8992 B13R1.355 COc1ccc(cc1CCN)S[13CH3] 62a_200025704644_100000763266 [0,2,0,0,0,0|0,0,0]=2 8993 B13R1.355 COc1ccc(cc1CSC)C=O 62a_100000028394_200000210301 [0,2,0,0,0,0|2,0,0]=4 8994 B13R1.355 COc1ccc(cc1CSC)C=O 62a_200000210301_100000028394 [0,2,0,0,0,0|2,0,0]=4 8995 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_100000028394_200025704644 [0,2,0,0,0,0|2,0,0]=4 8996 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_200025704644_100000028394 [0,2,0,0,0,0|2,0,0]=4 8997 B13R1.355 COc1ccc(cc1NCF)C#N 34a_100000747721_100015361967 [0,2,0,0,0,0|2,0,0]=4 8998 B13R1.355 COc1ccc(cc1NCF)C#N 7a_100000747721_100015361967 [0,2,0,0,0,0|2,0,0]=4 8999 B13R1.355 COc1ccc(cc1NCF)CO 34a_100011269841_100015361967 [0,2,0,0,0,0|2,0,0]=4 9000 B13R1.355 COc1ccc(cc1OCF)C#N 34a_100000188611_100015361967 [0,2,0,0,0,0|2,0,0]=4 9001 B13R1.355 COc1ccc(cc1OCF)C#N 7a_100000188611_100015361967 [0,2,0,0,0,0|2,0,0]=4 9002 B13R1.355 COc1ccc(cc1OCF)CN 34a_100000740000_100015361967 [0,2,0,0,0,0|2,0,0]=4 9003 B13R1.355 COc1ccc(cc1OCF)CO 34a_100011215239_100015361967 [0,2,0,0,0,0|2,0,0]=4 9004 B13R1.355 COc1ccc(cc1SCF)C#N 62a_100015361967_100000188253 [0,2,0,0,0,0|2,0,0]=4 9005 B13R1.355 COc1ccc(cc1SCF)C=O 62a_100000173361_100015361967 [0,2,0,0,0,0|2,0,0]=4 9006 B13R1.355 COc1ccc(cc1SCF)C=O 62a_100015361967_100000173361 [0,2,0,0,0,0|2,0,0]=4 9007 B13R1.355 COc1ccc(cc1SCF)CN 62a_100015361967_100159240714 [0,2,0,0,0,0|2,0,0]=4 9008 B13R1.355 COc1ccc(cc1SCF)CN 62a_100159240714_100015361967 [0,2,0,0,0,0|2,0,0]=4 9009 B13R1.355 COc1ccc(cc1SCF)CO 62a_100000246451_100015361967 [0,2,0,0,0,0|2,0,0]=4 9010 B13R1.355 COc1ccc(cc1SCF)CO 62a_100015361967_100000246451 [0,2,0,0,0,0|2,0,0]=4 9011 B13R1.3972 CCNc1c(ccc(c1F)F)OC 34a_100000061648_100000210202 [0,2,0,0,0,0|2,0,0]=4 9012 B13R1.3972 CCOc1c(ccc(c1F)F)OC 34a_100000062125_100000210202 [0,2,0,0,0,0|2,0,0]=4 9013 B13R1.3972 CCOc1c(ccc(c1F)F)OC 7a_100000062125_100000210202 [0,2,0,0,0,0|2,0,0]=4 9014 B13R1.3972 CCSc1c(ccc(c1F)F)OC 62a_100000210202_100010204329 [0,2,0,0,0,0|2,0,0]=4 9015 B13R1.3972 CCSc1c(ccc(c1F)F)OC 62a_100010204329_100000210202 [0,2,0,0,0,0|2,0,0]=4 9016 B13R1.3972 CNCc1c(ccc(c1Br)F)OC 207a_100102657272_100021272739 [0,2,0,0,0,0|2,0,0]=4 9017 B13R1.3972 CNCc1c(ccc(c1Br)F)OC 270004a_106832991635_100021272739 [0,2,0,0,0,0|2,0,0]=4 9018 B13R1.3972 CNCc1c(ccc(c1F)Br)OC 207a_100102657272_100010202131 [0,2,0,0,0,0|2,0,0]=4 9019 B13R1.3972 CNCc1c(ccc(c1F)Br)OC 270004a_106832991635_100010202131 [0,2,0,0,0,0|2,0,0]=4 9020 B13R1.3972 CNCc1c(ccc(c1F)F)OC 207a_100102657272_100000034961 [0,2,0,0,0,0|2,0,0]=4 9021 B13R1.3972 CNCc1c(ccc(c1F)F)OC 2230a_106832991635_100009814553 [0,2,0,0,0,0|2,0,0]=4 9022 B13R1.3972 CNCc1c(ccc(c1F)F)OC 2230a_114929131193_200000210301 [0,2,0,0,0,0|2,0,0]=4 9023 B13R1.3972 CNCc1c(ccc(c1F)F)OC 270004a_106832991635_100000034961 [0,2,0,0,0,0|2,0,0]=4 9024 B13R1.3972 CNCc1c(ccc(c1F)F)OC 34a_100102657272_100009814553 [0,2,0,0,0,0|2,0,0]=4 9025 B13R1.3972 CNCc1c(ccc(c1F)F)OC 34a_114929131193_200000210301 [0,2,0,0,0,0|2,0,0]=4 9026 B13R1.3972 CNCc1c(ccc(c1F)F)OC 7a_106832991635_100009814553 [0,2,0,0,0,0|2,0,0]=4 9027 B13R1.3972 COCc1c(ccc(c1F)F)OC 34a_100000081362_200000210301 [0,2,0,0,0,0|2,0,0]=4 9028 B13R1.3972 COCc1c(ccc(c1F)F)OC 34a_100138415774_100009814553 [0,2,0,0,0,0|2,0,0]=4 9029 B13R1.3972 COCc1c(ccc(c1F)F)OC 7a_100000081362_200000210301 [0,2,0,0,0,0|2,0,0]=4 9030 B13R1.3972 COc1ccc(c(c1CN[13CH3])F)F 2230a_114929131193_200025704644 [0,2,0,0,0,0|2,0,0]=4 9031 B13R1.3972 COc1ccc(c(c1CN[13CH3])F)F 34a_114929131193_200025704644 [0,2,0,0,0,0|2,0,0]=4 9032 B13R1.3972 COc1ccc(c(c1CO[13CH3])F)F 34a_100000081362_200025704644 [0,2,0,0,0,0|2,0,0]=4 9033 B13R1.3972 COc1ccc(c(c1CO[13CH3])F)F 7a_100000081362_200025704644 [0,2,0,0,0,0|2,0,0]=4 9034 B13R1.3972 COc1ccc(c(c1CSC)F)F 62a_100009814553_200000210301 [0,2,0,0,0,0|2,0,0]=4 9035 B13R1.3972 COc1ccc(c(c1CSC)F)F 62a_200000210301_100009814553 [0,2,0,0,0,0|2,0,0]=4 9036 B13R1.3972 COc1ccc(c(c1CS[13CH3])F)F 62a_100009814553_200025704644 [0,2,0,0,0,0|2,0,0]=4 9037 B13R1.3972 COc1ccc(c(c1CS[13CH3])F)F 62a_200025704644_100009814553 [0,2,0,0,0,0|2,0,0]=4 9038 B13R1.3972 COc1ccc(c(c1NCF)F)F 34a_100000061648_100015361967 [0,2,0,0,0,0|2,0,0]=4 9039 B13R1.3972 COc1ccc(c(c1OCF)F)F 34a_100000062125_100015361967 [0,2,0,0,0,0|2,0,0]=4 9040 B13R1.3972 COc1ccc(c(c1OCF)F)F 7a_100000062125_100015361967 [0,2,0,0,0,0|2,0,0]=4 9041 B13R1.3972 COc1ccc(c(c1SCF)F)F 62a_100010204329_100015361967 [0,2,0,0,0,0|2,0,0]=4 9042 B13R1.3972 COc1ccc(c(c1SCF)F)F 62a_100015361967_100010204329 [0,2,0,0,0,0|2,0,0]=4 9043 B13R1.3980 CCNc1cc(cc(c1OC)Br)Cl 34a_100000243884_100000210202 [0,2,0,0,0,0|2,0,0]=4 9044 B13R1.3980 CCNc1cc(cc(c1OC)Br)F 34a_100011190657_100000210202 [0,2,0,0,0,0|2,0,0]=4 9045 B13R1.3980 CCNc1cc(cc(c1OC)Cl)Cl 34a_100009871722_100000210202 [0,2,0,0,0,0|2,0,0]=4 9046 B13R1.3980 CCNc1cc(cc(c1OC)F)Br 34a_200010245146_100000210202 [0,2,0,0,0,0|2,0,0]=4 9047 B13R1.3980 CCNc1cc(cc(c1OC)F)C 34a_100009958095_100000210202 [0,2,0,0,0,0|2,0,0]=4 9048 B13R1.3980 CCNc1cc(cc(c1OC)F)F 34a_100000061580_100000210202 [0,2,0,0,0,0|2,0,0]=4 9049 B13R1.3980 CCSc1cc(cc(c1OC)C)N 62a_100000210202_100010071304 [0,2,0,0,0,0|2,0,0]=4 9050 B13R1.3980 CCSc1cc(cc(c1OC)C)N 62a_100010071304_100000210202 [0,2,0,0,0,0|2,0,0]=4 9051 B13R1.3980 CCSc1cc(cc(c1OC)F)C 62a_100000210202_200010713180 [0,2,0,0,0,0|2,0,0]=4 9052 B13R1.3980 CCSc1cc(cc(c1OC)F)C 62a_200010713180_100000210202 [0,2,0,0,0,0|2,0,0]=4 9053 B13R1.3980 CCSc1cc(cc(c1OC)F)F 62a_100000210202_100009813607 [0,2,0,0,0,0|2,0,0]=4 9054 B13R1.3980 CCSc1cc(cc(c1OC)F)F 62a_100009813607_100000210202 [0,2,0,0,0,0|2,0,0]=4 9055 B13R1.3980 CCSc1cc(cc(c1OC)F)N 62a_100000210202_200009816006 [0,2,0,0,0,0|2,0,0]=4 9056 B13R1.3980 CCSc1cc(cc(c1OC)F)N 62a_200009816006_100000210202 [0,2,0,0,0,0|2,0,0]=4 9057 B13R1.3980 CCSc1cc(cc(c1OC)N)Br 62a_100000210202_100015658936 [0,2,0,0,0,0|2,0,0]=4 9058 B13R1.3980 CCSc1cc(cc(c1OC)N)Br 62a_100015658936_100000210202 [0,2,0,0,0,0|2,0,0]=4 9059 B13R1.3980 CCSc1cc(cc(c1OC)N)F 62a_100000210202_100011190657 [0,2,0,0,0,0|2,0,0]=4 9060 B13R1.3980 CCSc1cc(cc(c1OC)N)F 62a_100011190657_100000210202 [0,2,0,0,0,0|2,0,0]=4 9061 B13R1.3980 CNCc1cc(cc(c1OC)Br)Br 207a_100102657272_200000180144 [0,2,0,0,0,0|2,0,0]=4 9062 B13R1.3980 CNCc1cc(cc(c1OC)Br)Br 270004a_106832991635_200000180144 [0,2,0,0,0,0|2,0,0]=4 9063 B13R1.3980 CNCc1cc(cc(c1OC)Br)C 207a_100102657272_200010171662 [0,2,0,0,0,0|2,0,0]=4 9064 B13R1.3980 CNCc1cc(cc(c1OC)Br)C 270004a_106832991635_200010171662 [0,2,0,0,0,0|2,0,0]=4 9065 B13R1.3980 CNCc1cc(cc(c1OC)Br)Cl 207a_100102657272_100015184194 [0,2,0,0,0,0|2,0,0]=4 9066 B13R1.3980 CNCc1cc(cc(c1OC)Br)Cl 270004a_106832991635_100015184194 [0,2,0,0,0,0|2,0,0]=4 9067 B13R1.3980 CNCc1cc(cc(c1OC)Br)F 207a_100102657272_100010240317 [0,2,0,0,0,0|2,0,0]=4 9068 B13R1.3980 CNCc1cc(cc(c1OC)Br)F 270004a_106832991635_100010240317 [0,2,0,0,0,0|2,0,0]=4 9069 B13R1.3980 CNCc1cc(cc(c1OC)C)C 207a_100102657272_100000050482 [0,2,0,0,0,0|2,0,0]=4 9070 B13R1.3980 CNCc1cc(cc(c1OC)C)C 270004a_106832991635_100000050482 [0,2,0,0,0,0|2,0,0]=4 9071 B13R1.3980 CNCc1cc(cc(c1OC)Cl)Cl 207a_100102657272_100000186748 [0,2,0,0,0,0|2,0,0]=4 9072 B13R1.3980 CNCc1cc(cc(c1OC)Cl)Cl 270004a_106832991635_100000186748 [0,2,0,0,0,0|2,0,0]=4 9073 B13R1.3980 CNCc1cc(cc(c1OC)F)F 207a_100102657272_100000051054 [0,2,0,0,0,0|2,0,0]=4 9074 B13R1.3980 CNCc1cc(cc(c1OC)F)F 2230a_106832991635_100009816017 [0,2,0,0,0,0|2,0,0]=4 9075 B13R1.3980 CNCc1cc(cc(c1OC)F)F 270004a_106832991635_100000051054 [0,2,0,0,0,0|2,0,0]=4 9076 B13R1.3980 CNCc1cc(cc(c1OC)F)F 34a_100102657272_100009816017 [0,2,0,0,0,0|2,0,0]=4 9077 B13R1.3980 CNCc1cc(cc(c1OC)F)F 7a_106832991635_100009816017 [0,2,0,0,0,0|2,0,0]=4 9078 B13R1.3980 COCc1cc(cc(c1OC)F)F 34a_100138415774_100009816017 [0,2,0,0,0,0|2,0,0]=4 9079 B13R1.3980 COc1c(cc(cc1CSC)F)F 62a_100009816017_200000210301 [0,2,0,0,0,0|2,0,0]=4 9080 B13R1.3980 COc1c(cc(cc1CSC)F)F 62a_200000210301_100009816017 [0,2,0,0,0,0|2,0,0]=4 9081 B13R1.3980 COc1c(cc(cc1CS[13CH3])F)F 62a_100009816017_200025704644 [0,2,0,0,0,0|2,0,0]=4 9082 B13R1.3980 COc1c(cc(cc1CS[13CH3])F)F 62a_200025704644_100009816017 [0,2,0,0,0,0|2,0,0]=4 9083 B13R1.3980 COc1c(cc(cc1NCF)Br)F 34a_200010245146_100015361967 [0,2,0,0,0,0|2,0,0]=4 9084 B13R1.3980 COc1c(cc(cc1NCF)C)F 34a_100009958095_100015361967 [0,2,0,0,0,0|2,0,0]=4 9085 B13R1.3980 COc1c(cc(cc1NCF)Cl)Br 34a_100000243884_100015361967 [0,2,0,0,0,0|2,0,0]=4 9086 B13R1.3980 COc1c(cc(cc1NCF)Cl)Cl 34a_100009871722_100015361967 [0,2,0,0,0,0|2,0,0]=4 9087 B13R1.3980 COc1c(cc(cc1NCF)F)Br 34a_100011190657_100015361967 [0,2,0,0,0,0|2,0,0]=4 9088 B13R1.3980 COc1c(cc(cc1NCF)F)F 34a_100000061580_100015361967 [0,2,0,0,0,0|2,0,0]=4 9089 B13R1.3980 COc1c(cc(cc1SCF)Br)N 62a_100015361967_100015658936 [0,2,0,0,0,0|2,0,0]=4 9090 B13R1.3980 COc1c(cc(cc1SCF)Br)N 62a_100015658936_100015361967 [0,2,0,0,0,0|2,0,0]=4 9091 B13R1.3980 COc1c(cc(cc1SCF)C)F 62a_100015361967_200010713180 [0,2,0,0,0,0|2,0,0]=4 9092 B13R1.3980 COc1c(cc(cc1SCF)C)F 62a_200010713180_100015361967 [0,2,0,0,0,0|2,0,0]=4 9093 B13R1.3980 COc1c(cc(cc1SCF)F)F 62a_100009813607_100015361967 [0,2,0,0,0,0|2,0,0]=4 9094 B13R1.3980 COc1c(cc(cc1SCF)F)F 62a_100015361967_100009813607 [0,2,0,0,0,0|2,0,0]=4 9095 B13R1.3980 COc1c(cc(cc1SCF)F)N 62a_100011190657_100015361967 [0,2,0,0,0,0|2,0,0]=4 9096 B13R1.3980 COc1c(cc(cc1SCF)F)N 62a_100015361967_100011190657 [0,2,0,0,0,0|2,0,0]=4 9097 B13R1.3980 COc1c(cc(cc1SCF)N)C 62a_100010071304_100015361967 [0,2,0,0,0,0|2,0,0]=4 9098 B13R1.3980 COc1c(cc(cc1SCF)N)C 62a_100015361967_100010071304 [0,2,0,0,0,0|2,0,0]=4 9099 B13R1.3980 COc1c(cc(cc1SCF)N)F 62a_100015361967_200009816006 [0,2,0,0,0,0|2,0,0]=4 9100 B13R1.3980 COc1c(cc(cc1SCF)N)F 62a_200009816006_100015361967 [0,2,0,0,0,0|2,0,0]=4 9101 B13R1.3911 C=Cc1cccc(c1OC)CC#N 271570a_100011290941_100010146820 [0,2,0,0,0,0|0,0,2]=4 9102 B13R1.3911 CCNc1cccc(c1OC)C#N 34a_100000128487_100000210202 [0,2,0,0,0,0|2,0,0]=4 9103 B13R1.3911 CCNc1cccc(c1OC)OC 34a_100011217386_100000210202 [0,2,0,0,0,0|2,0,0]=4 9104 B13R1.3911 CCOc1cccc(c1OC)C#N 34a_200009874251_100000210202 [0,2,0,0,0,0|2,0,0]=4 9105 B13R1.3911 CCOc1cccc(c1OC)OC 34a_100000032319_100000210202 [0,2,0,0,0,0|2,0,0]=4 9106 B13R1.3911 CCSc1cccc(c1OC)C#N 62a_100000210202_100009817008 [0,2,0,0,0,0|2,0,0]=4 9107 B13R1.3911 CCSc1cccc(c1OC)C=O 62a_100000210202_100000692592 [0,2,0,0,0,0|2,0,0]=4 9108 B13R1.3911 CCSc1cccc(c1OC)C=O 62a_100000692592_100000210202 [0,2,0,0,0,0|2,0,0]=4 9109 B13R1.3911 CCSc1cccc(c1OC)CO 62a_100000210202_100000704359 [0,2,0,0,0,0|2,0,0]=4 9110 B13R1.3911 CCSc1cccc(c1OC)CO 62a_100000704359_100000210202 [0,2,0,0,0,0|2,0,0]=4 9111 B13R1.3911 CCSc1cccc(c1OC)OC 62a_100000210202_100010163134 [0,2,0,0,0,0|2,0,0]=4 9112 B13R1.3911 CNCc1cccc(c1OC)OC 207a_100102657272_100000210086 [0,2,0,0,0,0|2,0,0]=4 9113 B13R1.3911 CNCc1cccc(c1OC)OC 2230a_106832991635_100011217692 [0,2,0,0,0,0|2,0,0]=4 9114 B13R1.3911 CNCc1cccc(c1OC)OC 270004a_106832991635_100000210086 [0,2,0,0,0,0|2,0,0]=4 9115 B13R1.3911 CNCc1cccc(c1OC)OC 34a_100000737870_200000210301 [0,2,0,0,0,0|2,0,0]=4 9116 B13R1.3911 CNCc1cccc(c1OC)OC 34a_100102657272_100011217692 [0,2,0,0,0,0|2,0,0]=4 9117 B13R1.3911 CNCc1cccc(c1OC)OC 7a_106832991635_100011217692 [0,2,0,0,0,0|2,0,0]=4 9118 B13R1.3911 COCc1cccc(c1OC)OC 34a_100000211494_200000210301 [0,2,0,0,0,0|2,0,0]=4 9119 B13R1.3911 COCc1cccc(c1OC)OC 34a_100138415774_100011217692 [0,2,0,0,0,0|2,0,0]=4 9120 B13R1.3911 COc1c(cccc1NCF)C#N 34a_100000128487_100015361967 [0,2,0,0,0,0|2,0,0]=4 9121 B13R1.3911 COc1c(cccc1OCF)C#N 34a_200009874251_100015361967 [0,2,0,0,0,0|2,0,0]=4 9122 B13R1.3911 COc1c(cccc1SC)CC#N 62a_100010146820_200000210301 [0,2,0,0,0,0|0,0,2]=4 9123 B13R1.3911 COc1c(cccc1SC)CC#N 62a_200000210301_100010146820 [0,2,0,0,0,0|0,0,2]=4 9124 B13R1.3911 COc1c(cccc1SCF)C#N 62a_100015361967_100009817008 [0,2,0,0,0,0|2,0,0]=4 9125 B13R1.3911 COc1c(cccc1SCF)C=O 62a_100000692592_100015361967 [0,2,0,0,0,0|2,0,0]=4 9126 B13R1.3911 COc1c(cccc1SCF)C=O 62a_100015361967_100000692592 [0,2,0,0,0,0|2,0,0]=4 9127 B13R1.3911 COc1c(cccc1SCF)CO 62a_100000704359_100015361967 [0,2,0,0,0,0|2,0,0]=4 9128 B13R1.3911 COc1c(cccc1SCF)CO 62a_100015361967_100000704359 [0,2,0,0,0,0|2,0,0]=4 9129 B13R1.3911 COc1c(cccc1S[13CH3])CC#N 62a_100010146820_200025704644 [0,2,0,0,0,0|0,0,2]=4 9130 B13R1.3911 COc1c(cccc1S[13CH3])CC#N 62a_200025704644_100010146820 [0,2,0,0,0,0|0,0,2]=4 9131 B13R1.3911 COc1cccc(c1OC)CN[13CH3] 34a_100000737870_200025704644 [0,2,0,0,0,0|2,0,0]=4 9132 B13R1.3911 COc1cccc(c1OC)CO[13CH3] 34a_100000211494_200025704644 [0,2,0,0,0,0|2,0,0]=4 9133 B13R1.3911 COc1cccc(c1OC)CSC 62a_100011217692_200000210301 [0,2,0,0,0,0|2,0,0]=4 9134 B13R1.3911 COc1cccc(c1OC)CSC 62a_200000210301_100011217692 [0,2,0,0,0,0|2,0,0]=4 9135 B13R1.3911 COc1cccc(c1OC)CS[13CH3] 62a_100011217692_200025704644 [0,2,0,0,0,0|2,0,0]=4 9136 B13R1.3911 COc1cccc(c1OC)CS[13CH3] 62a_200025704644_100011217692 [0,2,0,0,0,0|2,0,0]=4 9137 B13R1.3911 COc1cccc(c1OC)NCF 34a_100011217386_100015361967 [0,2,0,0,0,0|2,0,0]=4 9138 B13R1.3911 COc1cccc(c1OC)OCF 34a_100000032319_100015361967 [0,2,0,0,0,0|2,0,0]=4 9139 B13R1.3911 COc1cccc(c1OC)SCF 62a_100015361967_100010163134 [0,2,0,0,0,0|2,0,0]=4 9140 B13R1.4020 CCNc1c(ccc(c1OC)F)F 34a_100009873038_100000210202 [0,2,0,0,0,0|2,0,0]=4 9141 B13R1.4020 CCOc1c(ccc(c1OC)Br)F 34a_200010167157_100000210202 [0,2,0,0,0,0|2,0,0]=4 9142 B13R1.4020 CCOc1c(ccc(c1OC)F)F 34a_100000118042_100000210202 [0,2,0,0,0,0|2,0,0]=4 9143 B13R1.4020 CCOc1c(ccc(c1OC)F)F 7a_100000118042_100000210202 [0,2,0,0,0,0|2,0,0]=4 9144 B13R1.4020 CCSc1c(ccc(c1OC)Br)F 62a_100000210202_200034458476 [0,2,0,0,0,0|2,0,0]=4 9145 B13R1.4020 CCSc1c(ccc(c1OC)Br)F 62a_200034458476_100000210202 [0,2,0,0,0,0|2,0,0]=4 9146 B13R1.4020 CCSc1c(ccc(c1OC)F)F 62a_100000210202_100010254772 [0,2,0,0,0,0|2,0,0]=4 9147 B13R1.4020 CCSc1c(ccc(c1OC)F)F 62a_100010254772_100000210202 [0,2,0,0,0,0|2,0,0]=4 9148 B13R1.4020 CCSc1c(ccc(c1OC)N)F 62a_100000210202_102516457224 [0,2,0,0,0,0|2,0,0]=4 9149 B13R1.4020 CCSc1c(ccc(c1OC)N)F 62a_102516457224_100000210202 [0,2,0,0,0,0|2,0,0]=4 9150 B13R1.4020 CNCc1c(ccc(c1OC)Br)F 207a_100102657272_100010204292 [0,2,0,0,0,0|2,0,0]=4 9151 B13R1.4020 CNCc1c(ccc(c1OC)Br)F 26a_100102657272_200010167157 [0,2,0,0,0,0|2,0,0]=4 9152 B13R1.4020 CNCc1c(ccc(c1OC)Br)F 270004a_106832991635_100010204292 [0,2,0,0,0,0|2,0,0]=4 9153 B13R1.4020 CNCc1c(ccc(c1OC)Cl)F 207a_100102657272_200015714339 [0,2,0,0,0,0|2,0,0]=4 9154 B13R1.4020 CNCc1c(ccc(c1OC)Cl)F 270004a_106832991635_200015714339 [0,2,0,0,0,0|2,0,0]=4 9155 B13R1.4020 CNCc1c(ccc(c1OC)F)F 207a_100102657272_100012017225 [0,2,0,0,0,0|2,0,0]=4 9156 B13R1.4020 CNCc1c(ccc(c1OC)F)F 270004a_106832991635_100012017225 [0,2,0,0,0,0|2,0,0]=4 9157 B13R1.4020 COCc1c(ccc(c1OC)Cl)Cl 34a_100010110904_200000210301 [0,2,0,0,0,0|2,0,0]=4 9158 B13R1.4020 COCc1c(ccc(c1OC)Cl)Cl 7a_100010110904_200000210301 [0,2,0,0,0,0|2,0,0]=4 9159 B13R1.4020 COc1c(ccc(c1CO[13CH3])Cl)Cl 34a_100010110904_200025704644 [0,2,0,0,0,0|2,0,0]=4 9160 B13R1.4020 COc1c(ccc(c1CO[13CH3])Cl)Cl 7a_100010110904_200025704644 [0,2,0,0,0,0|2,0,0]=4 9161 B13R1.4020 COc1c(ccc(c1NCF)F)F 34a_100009873038_100015361967 [0,2,0,0,0,0|2,0,0]=4 9162 B13R1.4020 COc1c(ccc(c1OCF)F)Br 34a_200010167157_100015361967 [0,2,0,0,0,0|2,0,0]=4 9163 B13R1.4020 COc1c(ccc(c1OCF)F)F 34a_100000118042_100015361967 [0,2,0,0,0,0|2,0,0]=4 9164 B13R1.4020 COc1c(ccc(c1OCF)F)F 7a_100000118042_100015361967 [0,2,0,0,0,0|2,0,0]=4 9165 B13R1.4020 COc1c(ccc(c1SCF)F)Br 62a_100015361967_200034458476 [0,2,0,0,0,0|2,0,0]=4 9166 B13R1.4020 COc1c(ccc(c1SCF)F)Br 62a_200034458476_100015361967 [0,2,0,0,0,0|2,0,0]=4 9167 B13R1.4020 COc1c(ccc(c1SCF)F)F 62a_100010254772_100015361967 [0,2,0,0,0,0|2,0,0]=4 9168 B13R1.4020 COc1c(ccc(c1SCF)F)F 62a_100015361967_100010254772 [0,2,0,0,0,0|2,0,0]=4 9169 B13R1.4020 COc1c(ccc(c1SCF)F)N 62a_100015361967_102516457224 [0,2,0,0,0,0|2,0,0]=4 9170 B13R1.4020 COc1c(ccc(c1SCF)F)N 62a_102516457224_100015361967 [0,2,0,0,0,0|2,0,0]=4 9171 B13R1.3904 CCNc1c(cccc1OC)C#N 2230a_100000722693_100000210202 [0,2,0,0,0,0|2,0,0]=4 9172 B13R1.3904 CCNc1c(cccc1OC)CO 34a_100011999522_100000210202 [0,2,0,0,0,0|2,0,0]=4 9173 B13R1.3904 CCNc1c(cccc1OC)OC 2230a_100011218430_100000210202 [0,2,0,0,0,0|2,0,0]=4 9174 B13R1.3904 CCNc1c(cccc1OC)OC 34a_100011218430_100000210202 [0,2,0,0,0,0|2,0,0]=4 9175 B13R1.3904 CCNc1c(cccc1SC)OC 2230a_200012283368_100000210202 [0,2,0,0,0,0|2,0,0]=4 9176 B13R1.3904 CCNc1c(cccc1SC)OC 34a_200012283368_100000210202 [0,2,0,0,0,0|2,0,0]=4 9177 B13R1.3904 CCOc1c(cccc1OC)C#N 34a_100011934230_100000210202 [0,2,0,0,0,0|2,0,0]=4 9178 B13R1.3904 CCOc1c(cccc1OC)CO 34a_100011218668_100000210202 [0,2,0,0,0,0|2,0,0]=4 9179 B13R1.3904 CCOc1c(cccc1OC)OC 34a_100000211025_100000210202 [0,2,0,0,0,0|2,0,0]=4 9180 B13R1.3904 CCSc1c(cccc1OC)C=O 62a_100000210202_100010209554 [0,2,0,0,0,0|2,0,0]=4 9181 B13R1.3904 CCSc1c(cccc1OC)C=O 62a_100010209554_100000210202 [0,2,0,0,0,0|2,0,0]=4 9182 B13R1.3904 CCSc1c(cccc1OC)CO 62a_100000210202_100010236476 [0,2,0,0,0,0|2,0,0]=4 9183 B13R1.3904 CCSc1c(cccc1OC)CO 62a_100010236476_100000210202 [0,2,0,0,0,0|2,0,0]=4 9184 B13R1.3904 CCSc1c(cccc1OC)OC 62a_100000210202_100000690108 [0,2,0,0,0,0|2,0,0]=4 9185 B13R1.3904 CCSc1c(cccc1OC)OC 62a_100000690108_100000210202 [0,2,0,0,0,0|2,0,0]=4 9186 B13R1.3904 CNCc1c(cccc1OC)OC 207a_100102657272_100000691606 [0,2,0,0,0,0|2,0,0]=4 9187 B13R1.3904 CNCc1c(cccc1OC)OC 2230a_100011211632_200000210301 [0,2,0,0,0,0|2,0,0]=4 9188 B13R1.3904 CNCc1c(cccc1OC)OC 270004a_106832991635_100000691606 [0,2,0,0,0,0|2,0,0]=4 9189 B13R1.3904 CNCc1c(cccc1OC)OC 34a_100011211632_200000210301 [0,2,0,0,0,0|2,0,0]=4 9190 B13R1.3904 COCc1c(cccc1OC)OC 34a_100000686646_200000210301 [0,2,0,0,0,0|2,0,0]=4 9191 B13R1.3904 COCc1c(cccc1OC)OC 7a_100000686646_200000210301 [0,2,0,0,0,0|2,0,0]=4 9192 B13R1.3904 COCc1c(cccc1SC)OC 34a_200009828978_200000210301 [0,2,0,0,0,0|2,0,0]=4 9193 B13R1.3904 COc1cccc(c1CN[13CH3])OC 2230a_100011211632_200025704644 [0,2,0,0,0,0|2,0,0]=4 9194 B13R1.3904 COc1cccc(c1CN[13CH3])OC 34a_100011211632_200025704644 [0,2,0,0,0,0|2,0,0]=4 9195 B13R1.3904 COc1cccc(c1CO[13CH3])OC 34a_100000686646_200025704644 [0,2,0,0,0,0|2,0,0]=4 9196 B13R1.3904 COc1cccc(c1CO[13CH3])OC 7a_100000686646_200025704644 [0,2,0,0,0,0|2,0,0]=4 9197 B13R1.3904 COc1cccc(c1CO[13CH3])SC 34a_200009828978_200025704644 [0,2,0,0,0,0|2,0,0]=4 9198 B13R1.3904 COc1cccc(c1NCF)CO 34a_100011999522_100015361967 [0,2,0,0,0,0|2,0,0]=4 9199 B13R1.3904 COc1cccc(c1NCF)OC 34a_100011218430_100015361967 [0,2,0,0,0,0|2,0,0]=4 9200 B13R1.3904 COc1cccc(c1NCF)SC 34a_200012283368_100015361967 [0,2,0,0,0,0|2,0,0]=4 9201 B13R1.3904 COc1cccc(c1OCF)C#N 34a_100011934230_100015361967 [0,2,0,0,0,0|2,0,0]=4 9202 B13R1.3904 COc1cccc(c1OCF)CO 34a_100011218668_100015361967 [0,2,0,0,0,0|2,0,0]=4 9203 B13R1.3904 COc1cccc(c1OCF)OC 34a_100000211025_100015361967 [0,2,0,0,0,0|2,0,0]=4 9204 B13R1.3904 COc1cccc(c1SCF)C=O 62a_100010209554_100015361967 [0,2,0,0,0,0|2,0,0]=4 9205 B13R1.3904 COc1cccc(c1SCF)C=O 62a_100015361967_100010209554 [0,2,0,0,0,0|2,0,0]=4 9206 B13R1.3904 COc1cccc(c1SCF)CO 62a_100010236476_100015361967 [0,2,0,0,0,0|2,0,0]=4 9207 B13R1.3904 COc1cccc(c1SCF)CO 62a_100015361967_100010236476 [0,2,0,0,0,0|2,0,0]=4 9208 B13R1.3904 COc1cccc(c1SCF)OC 62a_100000690108_100015361967 [0,2,0,0,0,0|2,0,0]=4 9209 B13R1.3904 COc1cccc(c1SCF)OC 62a_100015361967_100000690108 [0,2,0,0,0,0|2,0,0]=4 9210 B11R1.280 C=Cc1cc(ccc1N)OC 271570a_100011290941_100015195136 [0,0,1,1,0,0|0,0,2]=4 9211 B11R1.280 COc1ccc(c(c1)CN)C 34a_200009844824_200000210301 [0,0,1,1,0,0|0,0,2]=4 9212 B11R1.280 COc1ccc(c(c1)CN)O 271570a_203496583355_100000741592 [0,0,1,1,0,0|1,0,1]=4 9213 B11R1.280 Cc1ccc(cc1CN)O[13CH3] 34a_200009844824_200025704644 [0,0,1,1,0,0|0,0,2]=4 9214 B11R1.267 COc1cccc(c1F)CN 34a_100025773512_200000210301 [0,0,1,1,0,0|1,0,1]=4 9215 B11R1.267 [13CH3]Oc1cccc(c1F)CN 34a_100025773512_200025704644 [0,0,1,1,0,0|1,0,1]=4 9216 B11R1.189 C=Cc1cccc(c1)CCN 271570a_100011290941_100011207229 [0,0,1,1,0,0|1,0,1]=4 9217 B11R2.10 CN1Cc2ccccc2C1 2230a_100000752595_200000210301 [1,0,0,1,0,0|2,0,0]=4 9218 B11R2.10 CN1Cc2ccccc2C1 269982a_100000752595_200000210301 [1,0,0,1,0,0|2,0,0]=4 9219 B11R2.10 CN1Cc2ccccc2C1 34a_100000752595_200000210301 [1,0,0,1,0,0|2,0,0]=4 9220 B11R2.10 [13CH3]N1Cc2ccccc2C1 2230a_100000752595_200025704644 [1,0,0,1,0,0|2,0,0]=4 9221 B11R2.10 [13CH3]N1Cc2ccccc2C1 269982a_100000752595_200025704644 [1,0,0,1,0,0|2,0,0]=4 9222 B11R2.10 [13CH3]N1Cc2ccccc2C1 34a_100000752595_200025704644 [1,0,0,1,0,0|2,0,0]=4 9223 B11R2.55 Brc1ccccc1C2CC2 271570a_100011220607_100000695589 [1,0,0,1,0,0|2,0,0]=4 9224 B11R2.55 C[n+]1ccccc1C2CC2 271570a_100011220607_100000212160 [1,0,0,1,0,0|2,0,0]=4 9225 B11R2.55 Cc1ccccc1C2CC2 271570a_100011220607_100000210755 [1,0,0,1,0,0|1,0,0]=3 9226 B11R2.55 Cc1cccnc1C2CC2 271570a_100011220607_100000751373 [1,0,0,1,0,0|2,0,0]=4 9227 B11R2.55 Cc1ccncc1C2CC2 271570a_100011220607_100000761580 [1,0,0,1,0,0|2,0,0]=4 9228 B11R2.55 Cc1cnccc1C2CC2 271570a_100011220607_100015191297 [1,0,0,1,0,0|2,0,0]=4 9229 B11R2.55 Cc1ncccc1C2CC2 271570a_100011220607_100000751574 [1,0,0,1,0,0|2,0,0]=4 9230 B11R2.55 Clc1ccccc1C2CC2 271570a_100011220607_100000764095 [1,0,0,1,0,0|2,0,0]=4 9231 B11R2.55 Fc1ccccc1C2CC2 271570a_100011220607_100011215700 [1,0,0,1,0,0|2,0,0]=4 9232 B11R2.55 Nc1ccccc1C2CC2 271570a_100011220607_100000210017 [1,0,0,1,0,0|2,0,0]=4 9233 B11R2.55 Oc1ccccc1C2CC2 271570a_100011220607_100000739446 [1,0,0,1,0,0|1,0,0]=3 9234 B11R2.55 Oc1ccccc1C2CC2 271570a_203496583355_100009819954 [1,0,0,1,0,0|1,0,0]=3 9235 B11R2.55 Oc1cccnc1C2CC2 271570a_100011220607_100000034122 [1,0,0,1,0,0|2,0,0]=4 9236 B11R2.55 Oc1cnccc1C2CC2 271570a_100011220607_100009817591 [1,0,0,1,0,0|2,0,0]=4 9237 B11R2.55 Oc1ncccc1C2CC2 271570a_203496583355_100009851976 [1,0,0,1,0,0|2,0,0]=4 9238 B11R2.106 Oc1cccc2c1CC=C2 271570a_203496583355_100009844718 [1,0,0,1,0,0|1,0,1]=4 9239 B11R2.106 Oc1cccc2c1CCC2 271570a_203496583355_100010343934 [1,0,0,1,0,0|1,0,0]=3 9240 B11R2.106 Oc1cccc2c1CCN2 271570a_203496583355_100009817896 [1,0,0,1,0,0|0,0,0]=2 9241 B11R2.106 Oc1cccc2c1CCO2 271570a_203496583355_100009819624 [1,0,0,1,0,0|1,0,0]=3 9242 B11R2.106 Oc1cccc2c1CNC2 271570a_203496583355_100000703859 [1,0,0,1,0,0|2,0,0]=4 9243 B11R2.106 Oc1cccc2c1COC2 271570a_203496583355_100010384907 [1,0,0,1,0,0|2,0,0]=4 9244 B11R2.106 Oc1cccc2c1NCC2 271570a_203496583355_100016995435 [1,0,0,1,0,0|2,0,0]=4 9245 B11R2.106 Oc1cccc2c1OCC2 271570a_203496583355_100009818991 [1,0,0,1,0,0|2,0,0]=4 9246 B11R2.106 Oc1cccc2c1OCO2 271570a_203496583355_100009814252 [1,0,0,1,0,0|2,0,0]=4 9247 B11R2.106 Oc1cccc2c1cc[nH]2 271570a_203496583355_100000685724 [1,0,0,1,0,0|0,0,2]=4 9248 B11R2.106 Oc1cccc2c1cn[nH]2 271570a_203496583355_100000753301 [1,0,0,1,0,0|1,0,1]=4 9249 B11R2.106 Oc1cccc2c1nc[nH]2 271570a_203496583355_100011935113 [1,0,0,1,0,0|1,0,1]=4 9250 B11R2.106 Oc1ccnc2c1CCC2 271570a_203496583355_100000102697 [1,0,0,1,0,0|2,0,0]=4 9251 B11R2.106 Oc1nccc2c1CCN2 271570a_203496583355_100000104060 [1,0,0,1,0,0|1,0,0]=3 9252 B11R2.106 Oc1ncnc2c1CCN2 271570a_203496583355_200000104052 [1,0,0,1,0,0|2,0,0]=4 9253 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|2,0,0]=4 9254 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|2,0,0]=4 9255 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|2,0,0]=4 9256 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|2,0,0]=4 9257 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|2,0,0]=4 9258 B13R2.163 CN1CCCc2ccccc2C1 2230a_100000059810_200000210301 [0,1,0,1,0,0|2,0,0]=4 9259 B13R2.163 CN1CCCc2ccccc2C1 269982a_100000059810_200000210301 [0,1,0,1,0,0|2,0,0]=4 9260 B13R2.163 CN1CCCc2ccccc2C1 34a_100000059810_200000210301 [0,1,0,1,0,0|2,0,0]=4 9261 B13R2.163 CN1CCOc2ccccc2C1 2230a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 9262 B13R2.163 CN1CCOc2ccccc2C1 269982a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 9263 B13R2.163 CN1CCOc2ccccc2C1 34a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 9264 B13R2.163 [13CH3]N1CCCc2ccccc2C1 2230a_100000059810_200025704644 [0,1,0,1,0,0|2,0,0]=4 9265 B13R2.163 [13CH3]N1CCCc2ccccc2C1 269982a_100000059810_200025704644 [0,1,0,1,0,0|2,0,0]=4 9266 B13R2.163 [13CH3]N1CCCc2ccccc2C1 34a_100000059810_200025704644 [0,1,0,1,0,0|2,0,0]=4 9267 B13R2.163 [13CH3]N1CCOc2ccccc2C1 2230a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 9268 B13R2.163 [13CH3]N1CCOc2ccccc2C1 269982a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 9269 B13R2.163 [13CH3]N1CCOc2ccccc2C1 34a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 9270 B13R2.581 COc1cccc2c1CN(C2)C 2230a_100016991506_200000210301 [0,1,0,1,0,0|2,0,0]=4 9271 B13R2.581 COc1cccc2c1CN(C2)C 269982a_100016991506_200000210301 [0,1,0,1,0,0|2,0,0]=4 9272 B13R2.581 COc1cccc2c1CN(C2)C 34a_100016991506_200000210301 [0,1,0,1,0,0|2,0,0]=4 9273 B13R2.581 COc1cccc2c1CN(C2)[13CH3] 2230a_100016991506_200025704644 [0,1,0,1,0,0|2,0,0]=4 9274 B13R2.581 COc1cccc2c1CN(C2)[13CH3] 269982a_100016991506_200025704644 [0,1,0,1,0,0|2,0,0]=4 9275 B13R2.581 COc1cccc2c1CN(C2)[13CH3] 34a_100016991506_200025704644 [0,1,0,1,0,0|2,0,0]=4 9276 B13R2.581 COc1cccc2c1cc([nH]2)C 34a_200000059750_200000210301 [0,1,0,1,0,0|0,0,2]=4 9277 B13R2.581 COc1cccc2c1nc(o2)N 7a_100009892541_200000210301 [0,1,0,1,0,0|1,0,1]=4 9278 B13R2.581 COc1cccc2c1nc(s2)N 7a_100000065795_200000210301 [0,1,0,1,0,0|1,0,1]=4 9279 B13R2.581 CSc1cccc2c1CC(=O)N2 62a_200000210301_100009816812 [0,1,0,1,0,0|0,1,1]=4 9280 B13R2.581 CSc1cccc2c1CC(C2)O 62a_100010752598_200000210301 [0,1,0,1,0,0|1,1,0]=4 9281 B13R2.581 CSc1cccc2c1CC(C2)O 62a_200000210301_100010752598 [0,1,0,1,0,0|1,1,0]=4 9282 B13R2.581 Cc1cc2c(cccc2[nH]1)O[13CH3] 34a_200000059750_200025704644 [0,1,0,1,0,0|0,0,2]=4 9283 B13R2.581 [13CH3]Oc1cccc2c1nc(o2)N 7a_100009892541_200025704644 [0,1,0,1,0,0|1,0,1]=4 9284 B13R2.581 [13CH3]Oc1cccc2c1nc(s2)N 7a_100000065795_200025704644 [0,1,0,1,0,0|1,0,1]=4 9285 B13R2.581 [13CH3]Sc1cccc2c1CC(=O)N2 62a_200025704644_100009816812 [0,1,0,1,0,0|0,1,1]=4 9286 B13R2.581 [13CH3]Sc1cccc2c1CC(C2)O 62a_100010752598_200025704644 [0,1,0,1,0,0|1,1,0]=4 9287 B13R2.581 [13CH3]Sc1cccc2c1CC(C2)O 62a_200025704644_100010752598 [0,1,0,1,0,0|1,1,0]=4 9288 B13R2.621 CCc1ccccc1NC2CC2 34a_100000212081_100000211595 [0,1,0,1,0,0|2,0,0]=4 9289 B13R2.621 CCc1ccccc1OC2CC2 34a_100000210936_100000211595 [0,1,0,1,0,0|2,0,0]=4 9290 B13R2.621 CCc1ccccc1SC2CC2 62a_100011215823_100000211595 [0,1,0,1,0,0|2,0,0]=4 9291 B13R2.621 CNc1ccccc1OC2CC2 34a_100000033821_100000211595 [0,1,0,1,0,0|2,0,0]=4 9292 B13R2.621 CNc1ccccc1SC2CC2 62a_100020606079_100000211595 [0,1,0,1,0,0|2,0,0]=4 9293 B13R2.621 COc1ccccc1NC2CC2 34a_100000210025_100000211595 [0,1,0,1,0,0|1,0,0]=3 9294 B13R2.621 COc1ccccc1OC2CC2 34a_100000210385_100000211595 [0,1,0,1,0,0|1,0,0]=3 9295 B13R2.621 COc1ccccc1SC2CC2 62a_100000210334_100000211595 [0,1,0,1,0,0|1,0,0]=3 9296 B13R2.621 COc1cccnc1OC2CC2 34a_100025773188_100000211595 [0,1,0,1,0,0|2,0,0]=4 9297 B13R2.621 COc1cccnc1SC2CC2 62a_100000767102_100000211595 [0,1,0,1,0,0|2,0,0]=4 9298 B13R2.621 COc1ccncc1OC2CC2 34a_100000101186_100000211595 [0,1,0,1,0,0|2,0,0]=4 9299 B13R2.621 COc1ccncc1SC2CC2 62a_100011997281_100000211595 [0,1,0,1,0,0|2,0,0]=4 9300 B13R2.621 COc1cnccc1SC2CC2 62a_100016988167_100000211595 [0,1,0,1,0,0|2,0,0]=4 9301 B13R2.621 COc1ncccc1OC2CC2 34a_100000698397_100000211595 [0,1,0,1,0,0|2,0,0]=4 9302 B13R2.621 COc1ncccc1SC2CC2 62a_100000047025_100000211595 [0,1,0,1,0,0|2,0,0]=4 9303 B13R2.621 CSc1ccccc1NC2CC2 34a_100000211160_100000211595 [0,1,0,1,0,0|1,1,0]=4 9304 B13R2.621 CSc1ccccc1OC2CC2 34a_100011216402_100000211595 [0,1,0,1,0,0|1,1,0]=4 9305 B13R2.621 CSc1ccccc1OC2CC2 62a_100012344913_200000210301 [0,1,0,1,0,0|1,1,0]=4 9306 B13R2.621 CSc1ccccc1OC2CC2 62a_200000210301_100012344913 [0,1,0,1,0,0|1,1,0]=4 9307 B13R2.621 CSc1ccccc1SC2CC2 62a_100011217816_100000211595 [0,1,0,1,0,0|1,1,0]=4 9308 B13R2.621 [13CH3]Sc1ccccc1OC2CC2 62a_100012344913_200025704644 [0,1,0,1,0,0|1,1,0]=4 9309 B13R2.621 [13CH3]Sc1ccccc1OC2CC2 62a_200025704644_100012344913 [0,1,0,1,0,0|1,1,0]=4 9310 B13R2.32 CC1c2ccccc2CCN1C 2230a_100011660714_200000210301 [0,1,0,1,0,0|1,0,0]=3 9311 B13R2.32 CC1c2ccccc2CCN1C 269982a_100011660714_200000210301 [0,1,0,1,0,0|1,0,0]=3 9312 B13R2.32 CC1c2ccccc2CCN1C 34a_100011660714_200000210301 [0,1,0,1,0,0|1,0,0]=3 9313 B13R2.32 CC1c2ccccc2CCN1[13CH3] 2230a_100011660714_200025704644 [0,1,0,1,0,0|1,0,0]=3 9314 B13R2.32 CC1c2ccccc2CCN1[13CH3] 269982a_100011660714_200025704644 [0,1,0,1,0,0|1,0,0]=3 9315 B13R2.32 CC1c2ccccc2CCN1[13CH3] 34a_100011660714_200025704644 [0,1,0,1,0,0|1,0,0]=3 9316 B13R2.91 CSc1ccccc1C2(CC2)N 62a_200000210301_200000691159 [0,1,0,1,0,0|1,1,0]=4 9317 B13R2.91 CSc1ccccc1C2(CC2)N 62a_200000691159_200000210301 [0,1,0,1,0,0|1,1,0]=4 9318 B13R2.91 [13CH3]Sc1ccccc1C2(CC2)N 62a_200000691159_200025704644 [0,1,0,1,0,0|1,1,0]=4 9319 B13R2.91 [13CH3]Sc1ccccc1C2(CC2)N 62a_200025704644_200000691159 [0,1,0,1,0,0|1,1,0]=4 9320 B13R2.582 COc1cccc2c1C(=O)CC2 34a_100000066596_200000210301 [0,1,0,1,0,0|1,0,1]=4 9321 B13R2.582 COc1cccc2c1C(=O)CC2 7a_100000066596_200000210301 [0,1,0,1,0,0|1,0,1]=4 9322 B13R2.582 COc1cccc2c1C(=O)CO2 34a_200009856558_200000210301 [0,1,0,1,0,0|1,0,1]=4 9323 B13R2.582 COc1cccc2c1c(n[nH]2)O 271570a_203496583355_100010231497 [0,1,0,1,0,0|1,0,1]=4 9324 B13R2.582 CSc1cccc2c1C(CC2)N 62a_100103168669_200000210301 [0,1,0,1,0,0|1,1,0]=4 9325 B13R2.582 CSc1cccc2c1C(CC2)N 62a_200000210301_100103168669 [0,1,0,1,0,0|1,1,0]=4 9326 B13R2.582 CSc1cccc2c1C(CS2)O 62a_200000210301_200010991195 [0,1,0,1,0,0|1,1,0]=4 9327 B13R2.582 CSc1cccc2c1C(CS2)O 62a_200010991195_200000210301 [0,1,0,1,0,0|1,1,0]=4 9328 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CC2 34a_100000066596_200025704644 [0,1,0,1,0,0|1,0,1]=4 9329 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CC2 7a_100000066596_200025704644 [0,1,0,1,0,0|1,0,1]=4 9330 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CO2 34a_200009856558_200025704644 [0,1,0,1,0,0|1,0,1]=4 9331 B13R2.582 [13CH3]Sc1cccc2c1C(CC2)N 62a_100103168669_200025704644 [0,1,0,1,0,0|1,1,0]=4 9332 B13R2.582 [13CH3]Sc1cccc2c1C(CC2)N 62a_200025704644_100103168669 [0,1,0,1,0,0|1,1,0]=4 9333 B13R2.582 [13CH3]Sc1cccc2c1C(CS2)O 62a_200010991195_200025704644 [0,1,0,1,0,0|1,1,0]=4 9334 B13R2.582 [13CH3]Sc1cccc2c1C(CS2)O 62a_200025704644_200010991195 [0,1,0,1,0,0|1,1,0]=4 9335 B13R2.1613 C=Cc1cccc2c1CCCN2 271570a_100011290941_100010196365 [0,1,0,1,0,0|1,0,1]=4 9336 B13R2.1613 C=Cc1cccc2c1CCNC2 271570a_100011290941_100000756787 [0,1,0,1,0,0|1,0,1]=4 9337 B13R2.1613 C=Cc1cccc2c1OCCN2 271570a_100011290941_100000726803 [0,1,0,1,0,0|1,0,1]=4 9338 B13R2.1613 CNC1CCCc2c1cccc2 269862a_106832991636_100000210882 [0,1,0,1,0,0|2,0,0]=4 9339 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,1,0,1,0,0|2,0,0]=4 9340 B13R2.1613 CNC1COCc2c1cccc2 269862a_106832991636_100000117393 [0,1,0,1,0,0|2,0,0]=4 9341 B13R2.1613 CN[C@H]1CCCc2c1cccc2 34a_100020654734_200000210301 [0,1,0,1,0,0|2,0,0]=4 9342 B13R2.1613 CNc1cccc2c1CCCC2 2230a_100000212177_200000210301 [0,1,0,1,0,0|2,0,0]=4 9343 B13R2.1613 CNc1cccc2c1CCCC2 34a_100000212177_200000210301 [0,1,0,1,0,0|2,0,0]=4 9344 B13R2.1613 CNc1cccc2c1OCCO2 34a_100000694162_200000210301 [0,1,0,1,0,0|2,0,0]=4 9345 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,1,0,1,0,0|1,0,0]=3 9346 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,1,0,1,0,0|1,0,0]=3 9347 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [0,1,0,1,0,0|2,0,0]=4 9348 B13R2.1613 COC1COCc2c1cccc2 34a_100012179175_200000210301 [0,1,0,1,0,0|2,0,0]=4 9349 B13R2.1613 COc1cccc2c1CC=CC2 34a_100000074931_200000210301 [0,1,0,1,0,0|1,0,1]=4 9350 B13R2.1613 COc1cccc2c1CC=CC2 7a_100000074931_200000210301 [0,1,0,1,0,0|1,0,1]=4 9351 B13R2.1613 COc1cccc2c1CCCC2 34a_100011202923_200000210301 [0,1,0,1,0,0|1,0,0]=3 9352 B13R2.1613 COc1cccc2c1CCCC2 7a_100011202923_200000210301 [0,1,0,1,0,0|1,0,0]=3 9353 B13R2.1613 COc1cccc2c1CCNC2 34a_100020635587_200000210301 [0,1,0,1,0,0|0,0,0]=2 9354 B13R2.1613 COc1cccc2c1CNCC2 34a_100016995156_200000210301 [0,1,0,1,0,0|1,0,0]=3 9355 B13R2.1613 COc1cccc2c1OCCO2 34a_100000045995_200000210301 [0,1,0,1,0,0|1,0,0]=3 9356 B13R2.1613 COc1cccc2c1OCCO2 7a_100000045995_200000210301 [0,1,0,1,0,0|1,0,0]=3 9357 B13R2.1613 CSc1cccc2c1CCCC2 62a_100012354034_200000210301 [0,1,0,1,0,0|1,1,0]=4 9358 B13R2.1613 CSc1cccc2c1CCCC2 62a_200000210301_100012354034 [0,1,0,1,0,0|1,1,0]=4 9359 B13R2.1613 CSc1cccc2c1CCCN2 62a_100010196365_200000210301 [0,1,0,1,0,0|0,1,0]=3 9360 B13R2.1613 CSc1cccc2c1CCCN2 62a_200000210301_100010196365 [0,1,0,1,0,0|0,1,0]=3 9361 B13R2.1613 CSc1cccc2c1CCCO2 62a_100010188023_200000210301 [0,1,0,1,0,0|1,1,0]=4 9362 B13R2.1613 CSc1cccc2c1CCCO2 62a_200000210301_100010188023 [0,1,0,1,0,0|1,1,0]=4 9363 B13R2.1613 CSc1cccc2c1CCN=C2 62a_100010982778_200000210301 [0,1,0,1,0,0|0,1,1]=4 9364 B13R2.1613 CSc1cccc2c1CCN=C2 62a_200000210301_100010982778 [0,1,0,1,0,0|0,1,1]=4 9365 B13R2.1613 CSc1cccc2c1CCNC2 62a_100000756787_200000210301 [0,1,0,1,0,0|0,1,0]=3 9366 B13R2.1613 CSc1cccc2c1CCNC2 62a_200000210301_100000756787 [0,1,0,1,0,0|0,1,0]=3 9367 B13R2.1613 CSc1cccc2c1CNCC2 62a_100000687140_200000210301 [0,1,0,1,0,0|1,1,0]=4 9368 B13R2.1613 CSc1cccc2c1CNCC2 62a_200000210301_100000687140 [0,1,0,1,0,0|1,1,0]=4 9369 B13R2.1613 CSc1cccc2c1NCCO2 62a_200000210301_100015018771 [0,1,0,1,0,0|1,1,0]=4 9370 B13R2.1613 CSc1cccc2c1OCCC2 62a_100010204675_200000210301 [0,1,0,1,0,0|1,1,0]=4 9371 B13R2.1613 CSc1cccc2c1OCCC2 62a_200000210301_100010204675 [0,1,0,1,0,0|1,1,0]=4 9372 B13R2.1613 CSc1cccc2c1OCCN2 62a_100000726803_200000210301 [0,1,0,1,0,0|0,1,0]=3 9373 B13R2.1613 CSc1cccc2c1OCCN2 62a_200000210301_100000726803 [0,1,0,1,0,0|0,1,0]=3 9374 B13R2.1613 CSc1cccc2c1OCCO2 62a_100009815980_200000210301 [0,1,0,1,0,0|1,1,0]=4 9375 B13R2.1613 CSc1cccc2c1OCCO2 62a_200000210301_100009815980 [0,1,0,1,0,0|1,1,0]=4 9376 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,1,0,1,0,0|2,0,0]=4 9377 B13R2.1613 [13CH3]N[C@H]1CCCc2c1cccc2 34a_100020654734_200025704644 [0,1,0,1,0,0|2,0,0]=4 9378 B13R2.1613 [13CH3]Nc1cccc2c1CCCC2 2230a_100000212177_200025704644 [0,1,0,1,0,0|2,0,0]=4 9379 B13R2.1613 [13CH3]Nc1cccc2c1CCCC2 34a_100000212177_200025704644 [0,1,0,1,0,0|2,0,0]=4 9380 B13R2.1613 [13CH3]Nc1cccc2c1OCCO2 34a_100000694162_200025704644 [0,1,0,1,0,0|2,0,0]=4 9381 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,1,0,1,0,0|1,0,0]=3 9382 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,1,0,1,0,0|1,0,0]=3 9383 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [0,1,0,1,0,0|2,0,0]=4 9384 B13R2.1613 [13CH3]OC1COCc2c1cccc2 34a_100012179175_200025704644 [0,1,0,1,0,0|2,0,0]=4 9385 B13R2.1613 [13CH3]Oc1cccc2c1CC=CC2 34a_100000074931_200025704644 [0,1,0,1,0,0|1,0,1]=4 9386 B13R2.1613 [13CH3]Oc1cccc2c1CC=CC2 7a_100000074931_200025704644 [0,1,0,1,0,0|1,0,1]=4 9387 B13R2.1613 [13CH3]Oc1cccc2c1CCCC2 34a_100011202923_200025704644 [0,1,0,1,0,0|1,0,0]=3 9388 B13R2.1613 [13CH3]Oc1cccc2c1CCCC2 7a_100011202923_200025704644 [0,1,0,1,0,0|1,0,0]=3 9389 B13R2.1613 [13CH3]Oc1cccc2c1CCNC2 34a_100020635587_200025704644 [0,1,0,1,0,0|0,0,0]=2 9390 B13R2.1613 [13CH3]Oc1cccc2c1CNCC2 34a_100016995156_200025704644 [0,1,0,1,0,0|1,0,0]=3 9391 B13R2.1613 [13CH3]Oc1cccc2c1OCCO2 34a_100000045995_200025704644 [0,1,0,1,0,0|1,0,0]=3 9392 B13R2.1613 [13CH3]Oc1cccc2c1OCCO2 7a_100000045995_200025704644 [0,1,0,1,0,0|1,0,0]=3 9393 B13R2.1613 [13CH3]Sc1cccc2c1CCCC2 62a_100012354034_200025704644 [0,1,0,1,0,0|1,1,0]=4 9394 B13R2.1613 [13CH3]Sc1cccc2c1CCCC2 62a_200025704644_100012354034 [0,1,0,1,0,0|1,1,0]=4 9395 B13R2.1613 [13CH3]Sc1cccc2c1CCCN2 62a_100010196365_200025704644 [0,1,0,1,0,0|0,1,0]=3 9396 B13R2.1613 [13CH3]Sc1cccc2c1CCCN2 62a_200025704644_100010196365 [0,1,0,1,0,0|0,1,0]=3 9397 B13R2.1613 [13CH3]Sc1cccc2c1CCCO2 62a_100010188023_200025704644 [0,1,0,1,0,0|1,1,0]=4 9398 B13R2.1613 [13CH3]Sc1cccc2c1CCCO2 62a_200025704644_100010188023 [0,1,0,1,0,0|1,1,0]=4 9399 B13R2.1613 [13CH3]Sc1cccc2c1CCN=C2 62a_100010982778_200025704644 [0,1,0,1,0,0|0,1,1]=4 9400 B13R2.1613 [13CH3]Sc1cccc2c1CCN=C2 62a_200025704644_100010982778 [0,1,0,1,0,0|0,1,1]=4 9401 B13R2.1613 [13CH3]Sc1cccc2c1CCNC2 62a_100000756787_200025704644 [0,1,0,1,0,0|0,1,0]=3 9402 B13R2.1613 [13CH3]Sc1cccc2c1CCNC2 62a_200025704644_100000756787 [0,1,0,1,0,0|0,1,0]=3 9403 B13R2.1613 [13CH3]Sc1cccc2c1CNCC2 62a_100000687140_200025704644 [0,1,0,1,0,0|1,1,0]=4 9404 B13R2.1613 [13CH3]Sc1cccc2c1CNCC2 62a_200025704644_100000687140 [0,1,0,1,0,0|1,1,0]=4 9405 B13R2.1613 [13CH3]Sc1cccc2c1NCCO2 62a_200025704644_100015018771 [0,1,0,1,0,0|1,1,0]=4 9406 B13R2.1613 [13CH3]Sc1cccc2c1OCCC2 62a_100010204675_200025704644 [0,1,0,1,0,0|1,1,0]=4 9407 B13R2.1613 [13CH3]Sc1cccc2c1OCCC2 62a_200025704644_100010204675 [0,1,0,1,0,0|1,1,0]=4 9408 B13R2.1613 [13CH3]Sc1cccc2c1OCCN2 62a_100000726803_200025704644 [0,1,0,1,0,0|0,1,0]=3 9409 B13R2.1613 [13CH3]Sc1cccc2c1OCCN2 62a_200025704644_100000726803 [0,1,0,1,0,0|0,1,0]=3 9410 B13R2.1613 [13CH3]Sc1cccc2c1OCCO2 62a_100009815980_200025704644 [0,1,0,1,0,0|1,1,0]=4 9411 B13R2.1613 [13CH3]Sc1cccc2c1OCCO2 62a_200025704644_100009815980 [0,1,0,1,0,0|1,1,0]=4 9412 B13R2.162 O=C1NCCc2c1cc(cc2)O 271570a_203496583355_100000688804 [0,1,0,1,0,0|2,0,0]=4 9413 B13R2.623 COc1cc(cc2c1cc[nH]2)O 271570a_203496583355_100010006603 [0,1,0,1,0,0|0,0,2]=4 9414 B13R2.623 COc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100010185973 [0,1,0,1,0,0|1,0,1]=4 9415 B13R2.662 CNC1COc2c1ccc(c2)Br 2230a_100020628175_200000210301 [0,1,0,1,0,0|2,0,0]=4 9416 B13R2.662 CN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_200000210301 [0,1,0,1,0,0|2,0,0]=4 9417 B13R2.662 CN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_200000210301 [0,1,0,1,0,0|2,0,0]=4 9418 B13R2.662 CN[C@H]1COc2c1ccc(c2)F 34a_100102463760_200000210301 [0,1,0,1,0,0|2,0,0]=4 9419 B13R2.662 [13CH3]NC1COc2c1ccc(c2)Br 2230a_100020628175_200025704644 [0,1,0,1,0,0|2,0,0]=4 9420 B13R2.662 [13CH3]N[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_200025704644 [0,1,0,1,0,0|2,0,0]=4 9421 B13R2.662 [13CH3]N[C@H]1COc2c1ccc(c2)F 2230a_100102463760_200025704644 [0,1,0,1,0,0|2,0,0]=4 9422 B13R2.662 [13CH3]N[C@H]1COc2c1ccc(c2)F 34a_100102463760_200025704644 [0,1,0,1,0,0|2,0,0]=4 9423 B13R2.2082 CCc1cc(ccc1C2CC2)Br 271570a_100011220607_100011216195 [0,1,0,1,0,0|2,0,0]=4 9424 B13R2.2082 CCc1cc(ccc1C2CC2)N 271570a_100011220607_100010109747 [0,1,0,1,0,0|2,0,0]=4 9425 B13R2.2082 CNc1cc(ccc1C2CC2)F 271570a_100011220607_100020633008 [0,1,0,1,0,0|2,0,0]=4 9426 B13R2.2082 CNc1cc(ccc1C2CC2)F 34a_102515433052_200000210301 [0,1,0,1,0,0|2,0,0]=4 9427 B13R2.2082 CNc1cc(ccc1C2CC2)F 7a_102515433052_200000210301 [0,1,0,1,0,0|2,0,0]=4 9428 B13R2.2082 COc1cc(ccc1C2CC2)Br 271570a_100011220607_100010245111 [0,1,0,1,0,0|1,0,0]=3 9429 B13R2.2082 COc1cc(ccc1C2CC2)C 271570a_100011220607_100010200004 [0,1,0,1,0,0|1,0,0]=3 9430 B13R2.2082 COc1cc(ccc1C2CC2)Cl 271570a_100011220607_100000050115 [0,1,0,1,0,0|1,0,0]=3 9431 B13R2.2082 COc1cc(ccc1C2CC2)F 271570a_100011220607_100000757151 [0,1,0,1,0,0|1,0,0]=3 9432 B13R2.2082 COc1cc(ccc1C2CC2)N 271570a_100011220607_100000765947 [0,1,0,1,0,0|1,0,0]=3 9433 B13R2.2082 COc1cc(ccc1C2CC2)O 271570a_100011220607_100011827694 [0,1,0,1,0,0|1,0,0]=3 9434 B13R2.2082 COc1cc(cnc1C2CC2)C 271570a_100011220607_200000118316 [0,1,0,1,0,0|2,0,0]=4 9435 B13R2.2082 COc1cc(cnc1C2CC2)F 271570a_100011220607_100009867738 [0,1,0,1,0,0|2,0,0]=4 9436 B13R2.2082 COc1cc(cnc1C2CC2)N 271570a_100011220607_100000097218 [0,1,0,1,0,0|2,0,0]=4 9437 B13R2.2082 COc1cc(ncc1C2CC2)C 271570a_100011220607_100000717771 [0,1,0,1,0,0|2,0,0]=4 9438 B13R2.2082 COc1cc(ncc1C2CC2)Cl 271570a_100011220607_100010154656 [0,1,0,1,0,0|2,0,0]=4 9439 B13R2.2082 COc1cc(ncc1C2CC2)F 271570a_100011220607_100010135560 [0,1,0,1,0,0|2,0,0]=4 9440 B13R2.2082 COc1cc(ncc1C2CC2)N 271570a_100011220607_100015506990 [0,1,0,1,0,0|2,0,0]=4 9441 B13R2.2082 COc1nc(ccc1C2CC2)C 271570a_100011220607_100010138632 [0,1,0,1,0,0|2,0,0]=4 9442 B13R2.2082 COc1nc(ccc1C2CC2)N 271570a_100011220607_100010187630 [0,1,0,1,0,0|2,0,0]=4 9443 B13R2.2082 CSc1cc(ccc1C2CC2)C 271570a_100011220607_200010709736 [0,1,0,1,0,0|1,1,0]=4 9444 B13R2.2082 [13CH3]Nc1cc(ccc1C2CC2)F 34a_102515433052_200025704644 [0,1,0,1,0,0|2,0,0]=4 9445 B13R2.2082 [13CH3]Nc1cc(ccc1C2CC2)F 7a_102515433052_200025704644 [0,1,0,1,0,0|2,0,0]=4 9446 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [0,1,0,1,0,0|2,0,0]=4 9447 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [0,1,0,1,0,0|2,0,0]=4 9448 B13R2.1 CCNC1COc2c1cccc2 2230a_100000747519_100000210202 [0,1,0,1,0,0|1,0,0]=3 9449 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [0,1,0,1,0,0|2,0,0]=4 9450 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [0,1,0,1,0,0|2,0,0]=4 9451 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,1,0,1,0,0|2,0,0]=4 9452 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,1,0,1,0,0|2,0,0]=4 9453 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [0,1,0,1,0,0|2,0,0]=4 9454 B13R2.1 CNCC1CCc2c1cccc2 2230a_100020632452_200000210301 [0,1,0,1,0,0|1,0,0]=3 9455 B13R2.1 CNCC1CCc2c1cccc2 34a_100020632452_200000210301 [0,1,0,1,0,0|1,0,0]=3 9456 B13R2.1 CNCc1coc2c1cccc2 207a_100102657272_100000688544 [0,1,0,1,0,0|0,0,2]=4 9457 B13R2.1 CNCc1coc2c1cccc2 270004a_106832991635_100000688544 [0,1,0,1,0,0|0,0,2]=4 9458 B13R2.1 CNCc1noc2c1cccc2 34a_100102657272_100009813815 [0,1,0,1,0,0|1,0,1]=4 9459 B13R2.1 CNCc1noc2c1cccc2 7a_106832991635_100009813815 [0,1,0,1,0,0|1,0,1]=4 9460 B13R2.1 FCN[C@H]1CCc2c1cccc2 34a_100016989578_100015361967 [0,1,0,1,0,0|2,0,0]=4 9461 B13R2.1 FCOC1CCc2c1cccc2 34a_100000212247_100015361967 [0,1,0,1,0,0|2,0,0]=4 9462 B13R2.1 FCOC1CCc2c1cccc2 7a_100000212247_100015361967 [0,1,0,1,0,0|2,0,0]=4 9463 B13R2.1 FCSC1CCc2c1cccc2 62a_100015361967_200000721974 [0,1,0,1,0,0|2,0,0]=4 9464 B13R2.1 [13CH3]NCC1CCc2c1cccc2 2230a_100020632452_200025704644 [0,1,0,1,0,0|1,0,0]=3 9465 B13R2.1 [13CH3]NCC1CCc2c1cccc2 34a_100020632452_200025704644 [0,1,0,1,0,0|1,0,0]=3 9466 B13R2.33 CN1CCc2ccccc2CC1 2230a_100000044199_200000210301 [0,1,0,1,0,0|1,0,0]=3 9467 B13R2.33 CN1CCc2ccccc2CC1 269982a_100000044199_200000210301 [0,1,0,1,0,0|1,0,0]=3 9468 B13R2.33 CN1CCc2ccccc2CC1 34a_100000044199_200000210301 [0,1,0,1,0,0|1,0,0]=3 9469 B13R2.33 [13CH3]N1CCc2ccccc2CC1 2230a_100000044199_200025704644 [0,1,0,1,0,0|1,0,0]=3 9470 B13R2.33 [13CH3]N1CCc2ccccc2CC1 269982a_100000044199_200025704644 [0,1,0,1,0,0|1,0,0]=3 9471 B13R2.33 [13CH3]N1CCc2ccccc2CC1 34a_100000044199_200025704644 [0,1,0,1,0,0|1,0,0]=3 9472 B13R2.45 CNC1Cc2ccccc2C1O 2230a_106832991635_100000211646 [0,1,0,1,0,0|2,0,0]=4 9473 B13R2.45 CNC1Cc2ccccc2C1O 34a_100102657272_100000211646 [0,1,0,1,0,0|2,0,0]=4 9474 B13R2.57 CCN1CCc2ccccc2C1 2230a_100000188457_100000210202 [0,1,0,1,0,0|2,0,0]=4 9475 B13R2.57 CCN1CCc2ccccc2C1 269982a_100000188457_100000204670 [0,1,0,1,0,0|2,0,0]=4 9476 B13R2.57 CCN1CCc2ccccc2C1 34a_100000188457_100000210202 [0,1,0,1,0,0|2,0,0]=4 9477 B13R2.57 CNC1CCc2ccccc2C1 2230a_100000748446_200000210301 [0,1,0,1,0,0|1,0,0]=3 9478 B13R2.57 CNC1CCc2ccccc2C1 270004a_106832991635_100000212018 [0,1,0,1,0,0|1,0,0]=3 9479 B13R2.57 CNC1CCc2ccccc2C1 34a_100000748446_200000210301 [0,1,0,1,0,0|1,0,0]=3 9480 B13R2.57 CNC1COc2ccccc2C1 2230a_100000739546_200000210301 [0,1,0,1,0,0|0,0,0]=2 9481 B13R2.57 CNC1COc2ccccc2C1 270004a_106832991635_100000048293 [0,1,0,1,0,0|0,0,0]=2 9482 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [0,1,0,1,0,0|2,0,0]=4 9483 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [0,1,0,1,0,0|2,0,0]=4 9484 B13R2.57 FCN1CCc2ccccc2C1 269982a_100000188457_100015361967 [0,1,0,1,0,0|2,0,0]=4 9485 B13R2.57 FCN1CCc2ccccc2C1 34a_100000188457_100015361967 [0,1,0,1,0,0|2,0,0]=4 9486 B13R2.57 [13CH3]NC1CCc2ccccc2C1 2230a_100000748446_200025704644 [0,1,0,1,0,0|1,0,0]=3 9487 B13R2.57 [13CH3]NC1CCc2ccccc2C1 34a_100000748446_200025704644 [0,1,0,1,0,0|1,0,0]=3 9488 B13R2.57 [13CH3]NC1COc2ccccc2C1 2230a_100000739546_200025704644 [0,1,0,1,0,0|0,0,0]=2 9489 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [0,1,0,1,0,0|2,0,0]=4 9490 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [0,1,0,1,0,0|2,0,0]=4 9491 B13R2.573 C=Cc1cccc2c1CCC2N 271570a_100011290941_100000751068 [0,1,0,1,0,0|1,0,1]=4 9492 B13R2.573 C=Cc1cccc2c1OCC2N 271570a_100011290941_100025715106 [0,1,0,1,0,0|1,0,1]=4 9493 B13R2.573 COc1cccc2c1CCC2=O 34a_100000240044_200000210301 [0,1,0,1,0,0|1,0,0]=3 9494 B13R2.573 COc1cccc2c1CCC2=O 7a_100000240044_200000210301 [0,1,0,1,0,0|1,0,0]=3 9495 B13R2.573 COc1cccc2c1CC[C@@H]2N 34a_100134616730_200000210301 [0,1,0,1,0,0|0,0,0]=2 9496 B13R2.573 COc1cccc2c1CNC2=O 34a_100000098541_200000210301 [0,1,0,1,0,0|1,0,1]=4 9497 B13R2.573 COc1cccc2c1ccn2C 34a_100000094269_200000210301 [0,1,0,1,0,0|0,0,2]=4 9498 B13R2.573 COc1cccc2c1cnn2C 34a_100009856027_200000210301 [0,1,0,1,0,0|1,0,1]=4 9499 B13R2.573 CSc1cccc2c1CCC2=O 62a_100000049675_200000210301 [0,1,0,1,0,0|1,1,0]=4 9500 B13R2.573 CSc1cccc2c1CCC2=O 62a_200000210301_100000049675 [0,1,0,1,0,0|1,1,0]=4 9501 B13R2.573 CSc1cccc2c1CCC2N 62a_100000751068_200000210301 [0,1,0,1,0,0|0,1,0]=3 9502 B13R2.573 CSc1cccc2c1CCC2N 62a_200000210301_100000751068 [0,1,0,1,0,0|0,1,0]=3 9503 B13R2.573 CSc1cccc2c1CC[C@@H]2O 62a_100010080924_200000210301 [0,1,0,1,0,0|1,1,0]=4 9504 B13R2.573 CSc1cccc2c1CC[C@@H]2O 62a_200000210301_100010080924 [0,1,0,1,0,0|1,1,0]=4 9505 B13R2.573 CSc1cccc2c1OCC2N 62a_100025715106_200000210301 [0,1,0,1,0,0|0,1,0]=3 9506 B13R2.573 CSc1cccc2c1OCC2N 62a_200000210301_100025715106 [0,1,0,1,0,0|0,1,0]=3 9507 B13R2.573 Cn1ccc2c1cccc2O[13CH3] 34a_100000094269_200025704644 [0,1,0,1,0,0|0,0,2]=4 9508 B13R2.573 Cn1ncc2c1cccc2O[13CH3] 34a_100009856027_200025704644 [0,1,0,1,0,0|1,0,1]=4 9509 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 34a_100000240044_200025704644 [0,1,0,1,0,0|1,0,0]=3 9510 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 7a_100000240044_200025704644 [0,1,0,1,0,0|1,0,0]=3 9511 B13R2.573 [13CH3]Oc1cccc2c1CC[C@@H]2N 34a_100134616730_200025704644 [0,1,0,1,0,0|0,0,0]=2 9512 B13R2.573 [13CH3]Oc1cccc2c1CNC2=O 34a_100000098541_200025704644 [0,1,0,1,0,0|1,0,1]=4 9513 B13R2.573 [13CH3]Sc1cccc2c1CCC2=O 62a_100000049675_200025704644 [0,1,0,1,0,0|1,1,0]=4 9514 B13R2.573 [13CH3]Sc1cccc2c1CCC2=O 62a_200025704644_100000049675 [0,1,0,1,0,0|1,1,0]=4 9515 B13R2.573 [13CH3]Sc1cccc2c1CCC2N 62a_100000751068_200025704644 [0,1,0,1,0,0|0,1,0]=3 9516 B13R2.573 [13CH3]Sc1cccc2c1CCC2N 62a_200025704644_100000751068 [0,1,0,1,0,0|0,1,0]=3 9517 B13R2.573 [13CH3]Sc1cccc2c1CC[C@@H]2O 62a_100010080924_200025704644 [0,1,0,1,0,0|1,1,0]=4 9518 B13R2.573 [13CH3]Sc1cccc2c1CC[C@@H]2O 62a_200025704644_100010080924 [0,1,0,1,0,0|1,1,0]=4 9519 B13R2.573 [13CH3]Sc1cccc2c1OCC2N 62a_100025715106_200025704644 [0,1,0,1,0,0|0,1,0]=3 9520 B13R2.573 [13CH3]Sc1cccc2c1OCC2N 62a_200025704644_100025715106 [0,1,0,1,0,0|0,1,0]=3 9521 B13R2.135 CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200000210301 [0,1,0,1,0,0|2,0,0]=4 9522 B13R2.135 [13CH3]N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200025704644 [0,1,0,1,0,0|2,0,0]=4 9523 B13R2.268 CC=Cc1ccccc1C2CC2 271570a_100016259895_100009819954 [0,1,0,1,0,0|2,0,0]=4 9524 B13R2.268 CCNc1ccccc1C2CC2 271570a_100011220607_114873767003 [0,1,0,1,0,0|2,0,0]=4 9525 B13R2.268 CCNc1ccccc1C2CC2 34a_100011236190_100000210202 [0,1,0,1,0,0|2,0,0]=4 9526 B13R2.268 CCOc1ccccc1C2CC2 271570a_100011220607_100000230754 [0,1,0,1,0,0|1,0,0]=3 9527 B13R2.268 CCOc1cccnc1C2CC2 271570a_100011220607_100011597540 [0,1,0,1,0,0|2,0,0]=4 9528 B13R2.268 CCOc1ncccc1C2CC2 271570a_100011220607_100011465154 [0,1,0,1,0,0|2,0,0]=4 9529 B13R2.268 CCSc1ccccc1C2CC2 271570a_100011220607_100000230856 [0,1,0,1,0,0|1,1,0]=4 9530 B13R2.268 CCSc1ccccc1C2CC2 62a_100000210202_100009819954 [0,1,0,1,0,0|1,1,0]=4 9531 B13R2.268 CCSc1ccccc1C2CC2 62a_100009819954_100000210202 [0,1,0,1,0,0|1,1,0]=4 9532 B13R2.268 CNCc1ccccc1C2CC2 207a_100102657272_100000685308 [0,1,0,1,0,0|2,0,0]=4 9533 B13R2.268 CNCc1ccccc1C2CC2 270004a_106832991635_100000685308 [0,1,0,1,0,0|2,0,0]=4 9534 B13R2.268 CNCc1ccccc1C2CC2 271570a_100011220607_100000184654 [0,1,0,1,0,0|2,0,0]=4 9535 B13R2.268 CNCc1ccccc1C2CC2 34a_100020678745_200000210301 [0,1,0,1,0,0|2,0,0]=4 9536 B13R2.268 COCc1ccccc1C2CC2 271570a_100011220607_100011493684 [0,1,0,1,0,0|1,0,0]=3 9537 B13R2.268 COCc1ccccc1C2CC2 34a_100012675891_200000210301 [0,1,0,1,0,0|1,0,0]=3 9538 B13R2.268 COCc1ccccc1C2CC2 7a_100012675891_200000210301 [0,1,0,1,0,0|1,0,0]=3 9539 B13R2.268 CSCc1ccccc1C2CC2 271570a_100011220607_100000148299 [0,1,0,1,0,0|1,1,0]=4 9540 B13R2.268 FCNc1ccccc1C2CC2 34a_100011236190_100015361967 [0,1,0,1,0,0|2,0,0]=4 9541 B13R2.268 FCSc1ccccc1C2CC2 62a_100009819954_100015361967 [0,1,0,1,0,0|1,1,0]=4 9542 B13R2.268 FCSc1ccccc1C2CC2 62a_100015361967_100009819954 [0,1,0,1,0,0|1,1,0]=4 9543 B13R2.268 NCCc1ccccc1C2CC2 271570a_100011220607_100000747383 [0,1,0,1,0,0|1,0,0]=3 9544 B13R2.268 NNCc1ccccc1C2CC2 271570a_100011220607_200016993956 [0,1,0,1,0,0|2,0,0]=4 9545 B13R2.268 OCCc1ccccc1C2CC2 271570a_100011220607_100000731337 [0,1,0,1,0,0|2,0,0]=4 9546 B13R2.268 [13CH3]NCc1ccccc1C2CC2 34a_100020678745_200025704644 [0,1,0,1,0,0|2,0,0]=4 9547 B13R2.268 [13CH3]OCc1ccccc1C2CC2 34a_100012675891_200025704644 [0,1,0,1,0,0|1,0,0]=3 9548 B13R2.268 [13CH3]OCc1ccccc1C2CC2 7a_100012675891_200025704644 [0,1,0,1,0,0|1,0,0]=3 9549 B13R2.292 C=C=Cc1cccc2c1CCN2 271570a_100015277604_100009817896 [0,1,0,1,0,0|1,0,1]=4 9550 B13R2.292 CC=Cc1cccc2c1CCC2 271570a_100016259895_100010343934 [0,1,0,1,0,0|2,0,0]=4 9551 B13R2.292 CC=Cc1cccc2c1CCN2 271570a_100016259895_100009817896 [0,1,0,1,0,0|1,0,0]=3 9552 B13R2.292 CC=Cc1cccc2c1CCO2 271570a_100016259895_100009819624 [0,1,0,1,0,0|2,0,0]=4 9553 B13R2.292 CC=Cc1nccc2c1CCN2 271570a_100016259895_100000104060 [0,1,0,1,0,0|2,0,0]=4 9554 B13R2.292 CCNc1cccc2c1CCC2 2230a_100000043548_100000210202 [0,1,0,1,0,0|2,0,0]=4 9555 B13R2.292 CCNc1cccc2c1CCC2 34a_100000043548_100000210202 [0,1,0,1,0,0|2,0,0]=4 9556 B13R2.292 CCNc1cccc2c1CCO2 2230a_100000084147_100000210202 [0,1,0,1,0,0|2,0,0]=4 9557 B13R2.292 CCNc1cccc2c1CCO2 34a_100000084147_100000210202 [0,1,0,1,0,0|2,0,0]=4 9558 B13R2.292 CCNc1cccc2c1COC2 2230a_100000125316_100000210202 [0,1,0,1,0,0|2,0,0]=4 9559 B13R2.292 CCNc1cccc2c1COC2 34a_100000125316_100000210202 [0,1,0,1,0,0|2,0,0]=4 9560 B13R2.292 CCNc1cccc2c1OCC2 2230a_100000102157_100000210202 [0,1,0,1,0,0|2,0,0]=4 9561 B13R2.292 CCNc1cccc2c1OCC2 34a_100000102157_100000210202 [0,1,0,1,0,0|2,0,0]=4 9562 B13R2.292 CCNc1cccc2c1OCO2 2230a_100000699912_100000210202 [0,1,0,1,0,0|2,0,0]=4 9563 B13R2.292 CCNc1cccc2c1OCO2 34a_100000699912_100000210202 [0,1,0,1,0,0|2,0,0]=4 9564 B13R2.292 CCOc1cccc2c1CCC2 34a_100000074356_100000210202 [0,1,0,1,0,0|1,0,0]=3 9565 B13R2.292 CCOc1cccc2c1CCC2 7a_100000074356_100000210202 [0,1,0,1,0,0|1,0,0]=3 9566 B13R2.292 CCOc1cccc2c1CCN2 34a_100000703684_100000210202 [0,1,0,1,0,0|0,0,0]=2 9567 B13R2.292 CCOc1cccc2c1CCO2 34a_100000090053_100000210202 [0,1,0,1,0,0|1,0,0]=3 9568 B13R2.292 CCOc1cccc2c1CCO2 7a_100000090053_100000210202 [0,1,0,1,0,0|1,0,0]=3 9569 B13R2.292 CCOc1cccc2c1CNC2 34a_100015191671_100000210202 [0,1,0,1,0,0|2,0,0]=4 9570 B13R2.292 CCOc1cccc2c1OCO2 34a_100000046630_100000210202 [0,1,0,1,0,0|2,0,0]=4 9571 B13R2.292 CCOc1cccc2c1OCO2 7a_100000046630_100000210202 [0,1,0,1,0,0|2,0,0]=4 9572 B13R2.292 CCOc1cccc2c1cc[nH]2 34a_100000763377_100000210202 [0,1,0,1,0,0|0,0,2]=4 9573 B13R2.292 CCSc1cccc2c1CCC2 62a_100000210202_100010343934 [0,1,0,1,0,0|1,1,0]=4 9574 B13R2.292 CCSc1cccc2c1CCC2 62a_100010343934_100000210202 [0,1,0,1,0,0|1,1,0]=4 9575 B13R2.292 CCSc1cccc2c1CCN2 62a_100000210202_100009817896 [0,1,0,1,0,0|0,1,0]=3 9576 B13R2.292 CCSc1cccc2c1CCN2 62a_100009817896_100000210202 [0,1,0,1,0,0|0,1,0]=3 9577 B13R2.292 CCSc1cccc2c1CCO2 62a_100000210202_100009819624 [0,1,0,1,0,0|1,1,0]=4 9578 B13R2.292 CCSc1cccc2c1CCO2 62a_100009819624_100000210202 [0,1,0,1,0,0|1,1,0]=4 9579 B13R2.292 CCSc1cccc2c1COC2 62a_100000210202_100010384907 [0,1,0,1,0,0|2,0,0]=4 9580 B13R2.292 CCSc1cccc2c1COC2 62a_100010384907_100000210202 [0,1,0,1,0,0|2,0,0]=4 9581 B13R2.292 CCSc1cccc2c1OCC2 62a_100000210202_100009818991 [0,1,0,1,0,0|2,0,0]=4 9582 B13R2.292 CCSc1cccc2c1OCC2 62a_100009818991_100000210202 [0,1,0,1,0,0|2,0,0]=4 9583 B13R2.292 CCSc1nccc2c1CCN2 62a_100000104060_100000210202 [0,1,0,1,0,0|1,1,0]=4 9584 B13R2.292 CCSc1nccc2c1CCN2 62a_100000210202_100000104060 [0,1,0,1,0,0|1,1,0]=4 9585 B13R2.292 CNCc1cccc2c1CCC2 26a_100102657272_100000074356 [0,1,0,1,0,0|2,0,0]=4 9586 B13R2.292 CNCc1cccc2c1CCO2 207a_100102657272_100000045544 [0,1,0,1,0,0|2,0,0]=4 9587 B13R2.292 CNCc1cccc2c1CCO2 26a_100102657272_100000090053 [0,1,0,1,0,0|2,0,0]=4 9588 B13R2.292 CNCc1cccc2c1CCO2 270004a_106832991635_100000045544 [0,1,0,1,0,0|2,0,0]=4 9589 B13R2.292 CNCc1cccc2c1OCC2 207a_100102657272_100011934426 [0,1,0,1,0,0|2,0,0]=4 9590 B13R2.292 CNCc1cccc2c1OCC2 2230a_200000703977_200000210301 [0,1,0,1,0,0|2,0,0]=4 9591 B13R2.292 CNCc1cccc2c1OCC2 270004a_106832991635_100011934426 [0,1,0,1,0,0|2,0,0]=4 9592 B13R2.292 CNCc1cccc2c1OCC2 34a_200000703977_200000210301 [0,1,0,1,0,0|2,0,0]=4 9593 B13R2.292 CNCc1cccc2c1OCO2 207a_100102657272_100000028116 [0,1,0,1,0,0|2,0,0]=4 9594 B13R2.292 CNCc1cccc2c1OCO2 2230a_100000743722_200000210301 [0,1,0,1,0,0|2,0,0]=4 9595 B13R2.292 CNCc1cccc2c1OCO2 34a_100000743722_200000210301 [0,1,0,1,0,0|2,0,0]=4 9596 B13R2.292 CNCc1cccc2c1OCO2 7a_106832991635_100010369185 [0,1,0,1,0,0|2,0,0]=4 9597 B13R2.292 COCc1cccc2c1OCC2 34a_100011934603_200000210301 [0,1,0,1,0,0|2,0,0]=4 9598 B13R2.292 COCc1cccc2c1OCC2 7a_100011934603_200000210301 [0,1,0,1,0,0|2,0,0]=4 9599 B13R2.292 COCc1cccc2c1OCO2 34a_100011219355_200000210301 [0,1,0,1,0,0|2,0,0]=4 9600 B13R2.292 COCc1cccc2c1cn[nH]2 34a_100138415774_100020636439 [0,1,0,1,0,0|1,0,1]=4 9601 B13R2.292 CSCc1cccc2c1OCO2 62a_100010369185_200000210301 [0,1,0,1,0,0|2,0,0]=4 9602 B13R2.292 FCNc1cccc2c1CCC2 34a_100000043548_100015361967 [0,1,0,1,0,0|2,0,0]=4 9603 B13R2.292 FCNc1cccc2c1CCO2 34a_100000084147_100015361967 [0,1,0,1,0,0|2,0,0]=4 9604 B13R2.292 FCNc1cccc2c1COC2 34a_100000125316_100015361967 [0,1,0,1,0,0|2,0,0]=4 9605 B13R2.292 FCNc1cccc2c1OCC2 34a_100000102157_100015361967 [0,1,0,1,0,0|2,0,0]=4 9606 B13R2.292 FCNc1cccc2c1OCO2 34a_100000699912_100015361967 [0,1,0,1,0,0|2,0,0]=4 9607 B13R2.292 FCOc1cccc2c1CCC2 34a_100000074356_100015361967 [0,1,0,1,0,0|1,0,0]=3 9608 B13R2.292 FCOc1cccc2c1CCC2 7a_100000074356_100015361967 [0,1,0,1,0,0|1,0,0]=3 9609 B13R2.292 FCOc1cccc2c1CCN2 34a_100000703684_100015361967 [0,1,0,1,0,0|0,0,0]=2 9610 B13R2.292 FCOc1cccc2c1CCO2 34a_100000090053_100015361967 [0,1,0,1,0,0|1,0,0]=3 9611 B13R2.292 FCOc1cccc2c1CCO2 7a_100000090053_100015361967 [0,1,0,1,0,0|1,0,0]=3 9612 B13R2.292 FCOc1cccc2c1CNC2 34a_100015191671_100015361967 [0,1,0,1,0,0|2,0,0]=4 9613 B13R2.292 FCOc1cccc2c1OCO2 34a_100000046630_100015361967 [0,1,0,1,0,0|2,0,0]=4 9614 B13R2.292 FCOc1cccc2c1OCO2 7a_100000046630_100015361967 [0,1,0,1,0,0|2,0,0]=4 9615 B13R2.292 FCOc1cccc2c1cc[nH]2 34a_100000763377_100015361967 [0,1,0,1,0,0|0,0,2]=4 9616 B13R2.292 FCSc1cccc2c1CCC2 62a_100010343934_100015361967 [0,1,0,1,0,0|1,1,0]=4 9617 B13R2.292 FCSc1cccc2c1CCC2 62a_100015361967_100010343934 [0,1,0,1,0,0|1,1,0]=4 9618 B13R2.292 FCSc1cccc2c1CCN2 62a_100009817896_100015361967 [0,1,0,1,0,0|0,1,0]=3 9619 B13R2.292 FCSc1cccc2c1CCN2 62a_100015361967_100009817896 [0,1,0,1,0,0|0,1,0]=3 9620 B13R2.292 FCSc1cccc2c1CCO2 62a_100009819624_100015361967 [0,1,0,1,0,0|1,1,0]=4 9621 B13R2.292 FCSc1cccc2c1CCO2 62a_100015361967_100009819624 [0,1,0,1,0,0|1,1,0]=4 9622 B13R2.292 FCSc1cccc2c1COC2 62a_100010384907_100015361967 [0,1,0,1,0,0|2,0,0]=4 9623 B13R2.292 FCSc1cccc2c1COC2 62a_100015361967_100010384907 [0,1,0,1,0,0|2,0,0]=4 9624 B13R2.292 FCSc1cccc2c1OCC2 62a_100009818991_100015361967 [0,1,0,1,0,0|2,0,0]=4 9625 B13R2.292 FCSc1cccc2c1OCC2 62a_100015361967_100009818991 [0,1,0,1,0,0|2,0,0]=4 9626 B13R2.292 FCSc1nccc2c1CCN2 62a_100000104060_100015361967 [0,1,0,1,0,0|1,1,0]=4 9627 B13R2.292 FCSc1nccc2c1CCN2 62a_100015361967_100000104060 [0,1,0,1,0,0|1,1,0]=4 9628 B13R2.292 [13CH3]NCc1cccc2c1OCC2 2230a_200000703977_200025704644 [0,1,0,1,0,0|2,0,0]=4 9629 B13R2.292 [13CH3]NCc1cccc2c1OCC2 34a_200000703977_200025704644 [0,1,0,1,0,0|2,0,0]=4 9630 B13R2.292 [13CH3]NCc1cccc2c1OCO2 2230a_100000743722_200025704644 [0,1,0,1,0,0|2,0,0]=4 9631 B13R2.292 [13CH3]NCc1cccc2c1OCO2 34a_100000743722_200025704644 [0,1,0,1,0,0|2,0,0]=4 9632 B13R2.292 [13CH3]OCc1cccc2c1OCC2 34a_100011934603_200025704644 [0,1,0,1,0,0|2,0,0]=4 9633 B13R2.292 [13CH3]OCc1cccc2c1OCC2 7a_100011934603_200025704644 [0,1,0,1,0,0|2,0,0]=4 9634 B13R2.292 [13CH3]OCc1cccc2c1OCO2 34a_100011219355_200025704644 [0,1,0,1,0,0|2,0,0]=4 9635 B13R2.292 [13CH3]SCc1cccc2c1OCO2 62a_100010369185_200025704644 [0,1,0,1,0,0|2,0,0]=4 9636 B13R2.66 CNc1ccc(cc1C2CC2)C 271570a_100011220607_100000221369 [0,1,0,1,0,0|2,0,0]=4 9637 B13R2.66 CNc1ccc(cc1C2CC2)F 271570a_100011220607_100011246292 [0,1,0,1,0,0|2,0,0]=4 9638 B13R2.66 CNc1ccc(cc1C2CC2)I 34a_100010997530_200000210301 [0,1,0,1,0,0|2,0,0]=4 9639 B13R2.66 CNc1ccc(cc1C2CC2)I 7a_100010997530_200000210301 [0,1,0,1,0,0|2,0,0]=4 9640 B13R2.66 COc1c[nH]c(=O)cc1C2CC2 271570a_100011220607_100121573661 [0,1,0,1,0,0|2,0,0]=4 9641 B13R2.66 COc1ccc(cc1C2CC2)Br 271570a_100011220607_100012351588 [0,1,0,1,0,0|1,0,0]=3 9642 B13R2.66 COc1ccc(cc1C2CC2)C 271570a_100011220607_100000186399 [0,1,0,1,0,0|1,0,0]=3 9643 B13R2.66 COc1ccc(cc1C2CC2)Cl 271570a_100011220607_100011215930 [0,1,0,1,0,0|1,0,0]=3 9644 B13R2.66 COc1ccc(cc1C2CC2)F 271570a_100011220607_100000171694 [0,1,0,1,0,0|1,0,0]=3 9645 B13R2.66 COc1ccc(cc1C2CC2)N 271570a_100011220607_100000187427 [0,1,0,1,0,0|1,0,0]=3 9646 B13R2.66 COc1ccc(cc1C2CC2)O 271570a_100011220607_100010084122 [0,1,0,1,0,0|1,0,0]=3 9647 B13R2.66 COc1ccc(nc1C2CC2)C 271570a_100011220607_100009820875 [0,1,0,1,0,0|2,0,0]=4 9648 B13R2.66 COc1ccc(nc1C2CC2)N 271570a_100011220607_100010172607 [0,1,0,1,0,0|2,0,0]=4 9649 B13R2.66 COc1cnc(cc1C2CC2)C 271570a_100011220607_100010109759 [0,1,0,1,0,0|2,0,0]=4 9650 B13R2.66 COc1ncc(cc1C2CC2)Br 271570a_100011220607_100009814608 [0,1,0,1,0,0|2,0,0]=4 9651 B13R2.66 COc1ncc(cc1C2CC2)C 271570a_100011220607_100012353929 [0,1,0,1,0,0|2,0,0]=4 9652 B13R2.66 COc1ncc(cc1C2CC2)F 271570a_100011220607_100009828472 [0,1,0,1,0,0|2,0,0]=4 9653 B13R2.66 COc1ncc(cc1C2CC2)N 271570a_100011220607_100012351452 [0,1,0,1,0,0|2,0,0]=4 9654 B13R2.66 CSc1ccc(cc1C2CC2)C 271570a_100011220607_200010201864 [0,1,0,1,0,0|1,1,0]=4 9655 B13R2.66 CSc1ccc(cc1C2CC2)F 271570a_100011220607_100009817003 [0,1,0,1,0,0|1,1,0]=4 9656 B13R2.66 CSc1ccc(cc1C2CC2)N 62a_100010281208_200000210301 [0,1,0,1,0,0|1,1,0]=4 9657 B13R2.66 CSc1ccc(cc1C2CC2)N 62a_200000210301_100010281208 [0,1,0,1,0,0|1,1,0]=4 9658 B13R2.66 [13CH3]Nc1ccc(cc1C2CC2)I 34a_100010997530_200025704644 [0,1,0,1,0,0|2,0,0]=4 9659 B13R2.66 [13CH3]Nc1ccc(cc1C2CC2)I 7a_100010997530_200025704644 [0,1,0,1,0,0|2,0,0]=4 9660 B13R2.66 [13CH3]Sc1ccc(cc1C2CC2)N 62a_100010281208_200025704644 [0,1,0,1,0,0|1,1,0]=4 9661 B13R2.66 [13CH3]Sc1ccc(cc1C2CC2)N 62a_200025704644_100010281208 [0,1,0,1,0,0|1,1,0]=4 9662 B13R2.611 CNc1ccc(c2c1CCC2)I 34a_200010751103_200000210301 [0,1,0,1,0,0|2,0,0]=4 9663 B13R2.611 COc1ccc(c2c1CCC2)C 34a_100000035953_200000210301 [0,1,0,1,0,0|1,0,0]=3 9664 B13R2.611 COc1ccc(c2c1CCC2)C 7a_100000035953_200000210301 [0,1,0,1,0,0|1,0,0]=3 9665 B13R2.611 COc1ccc(c2c1CCC2)Cl 34a_100000073669_200000210301 [0,1,0,1,0,0|1,0,0]=3 9666 B13R2.611 COc1ccc(c2c1CCC2)Cl 7a_100000073669_200000210301 [0,1,0,1,0,0|1,0,0]=3 9667 B13R2.611 COc1ccc(c2c1cc[nH]2)C 34a_100000132354_200000210301 [0,1,0,1,0,0|0,0,2]=4 9668 B13R2.611 COc1ccc(c2c1cc[nH]2)O 271570a_203496583355_100010138376 [0,1,0,1,0,0|0,0,2]=4 9669 B13R2.611 COc1ccc(c2c1cn[nH]2)O 271570a_203496583355_100010370760 [0,1,0,1,0,0|1,0,1]=4 9670 B13R2.611 CSc1ccc(c2c1CCC2)N 62a_200000210301_200010751103 [0,1,0,1,0,0|1,1,0]=4 9671 B13R2.611 CSc1ccc(c2c1CCC2)N 62a_200010751103_200000210301 [0,1,0,1,0,0|1,1,0]=4 9672 B13R2.611 Cc1ccc(c2c1CCC2)O[13CH3] 34a_100000035953_200025704644 [0,1,0,1,0,0|1,0,0]=3 9673 B13R2.611 Cc1ccc(c2c1CCC2)O[13CH3] 7a_100000035953_200025704644 [0,1,0,1,0,0|1,0,0]=3 9674 B13R2.611 Cc1ccc(c2c1[nH]cc2)O[13CH3] 34a_100000132354_200025704644 [0,1,0,1,0,0|0,0,2]=4 9675 B13R2.611 [13CH3]Nc1ccc(c2c1CCC2)I 34a_200010751103_200025704644 [0,1,0,1,0,0|2,0,0]=4 9676 B13R2.611 [13CH3]Oc1ccc(c2c1CCC2)Cl 34a_100000073669_200025704644 [0,1,0,1,0,0|1,0,0]=3 9677 B13R2.611 [13CH3]Oc1ccc(c2c1CCC2)Cl 7a_100000073669_200025704644 [0,1,0,1,0,0|1,0,0]=3 9678 B13R2.611 [13CH3]Sc1ccc(c2c1CCC2)N 62a_200010751103_200025704644 [0,1,0,1,0,0|1,1,0]=4 9679 B13R2.611 [13CH3]Sc1ccc(c2c1CCC2)N 62a_200025704644_200010751103 [0,1,0,1,0,0|1,1,0]=4 9680 B13R2.2136 CNC1COc2c1cc(cc2)Cl 2230a_100000705955_200000210301 [0,1,0,1,0,0|2,0,0]=4 9681 B13R2.2136 CN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_200000210301 [0,1,0,1,0,0|2,0,0]=4 9682 B13R2.2136 CN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_200000210301 [0,1,0,1,0,0|2,0,0]=4 9683 B13R2.2136 [13CH3]NC1COc2c1cc(cc2)Cl 2230a_100000705955_200025704644 [0,1,0,1,0,0|2,0,0]=4 9684 B13R2.2136 [13CH3]N[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_200025704644 [0,1,0,1,0,0|2,0,0]=4 9685 B13R2.2136 [13CH3]N[C@@H]1COc2c1cc(cc2)F 34a_100161114692_200025704644 [0,1,0,1,0,0|2,0,0]=4 9686 B13R2.5179 O=C1NCCc2c1ccc(c2)O 271570a_203496583355_100009817313 [0,1,0,1,0,0|2,0,0]=4 9687 B13R2.5514 C=C(C)c1ccccc1C2CC2 271570a_100000694244_100009819954 [0,1,0,1,0,0|2,0,0]=4 9688 B13R2.5514 CC(=O)c1ccccc1C2CC2 1458a_100011688854_200000210301 [0,1,0,1,0,0|2,0,0]=4 9689 B13R2.5514 CC(=O)c1ccccc1C2CC2 271570a_100011220607_100000751169 [0,1,0,1,0,0|2,0,0]=4 9690 B13R2.5514 CC(C)c1ccccc1C2CC2 271570a_100011220607_100011218076 [0,1,0,1,0,0|2,0,0]=4 9691 B13R2.5514 CC(N)c1ccccc1C2CC2 271570a_100011220607_100000181357 [0,1,0,1,0,0|2,0,0]=4 9692 B13R2.5514 CC(O)c1ccccc1C2CC2 271570a_100011220607_100000702211 [0,1,0,1,0,0|2,0,0]=4 9693 B13R2.5514 CN(C)c1ccccc1C2CC2 271570a_100011220607_100011290883 [0,1,0,1,0,0|2,0,0]=4 9694 B13R2.5514 CS(=O)c1ccccc1C2CC2 271570a_100011220607_100000734199 [0,1,0,1,0,0|1,1,0]=4 9695 B13R2.5514 [13CH3]C(=O)c1ccccc1C2CC2 1458a_100011688854_200025704644 [0,1,0,1,0,0|2,0,0]=4 9696 B13R2.5569 C=C(C)c1cccc2c1CCC2 271570a_100000694244_100010343934 [0,1,0,1,0,0|2,0,0]=4 9697 B13R2.5569 C=C(C)c1cccc2c1CCN2 271570a_100000694244_100009817896 [0,1,0,1,0,0|1,0,0]=3 9698 B13R2.5569 C=C(C)c1cccc2c1CCO2 271570a_100000694244_100009819624 [0,1,0,1,0,0|2,0,0]=4 9699 B13R2.5569 C=C(C)c1nccc2c1CCN2 271570a_100000694244_100000104060 [0,1,0,1,0,0|2,0,0]=4 9700 B13R2.5569 CC(=O)c1cccc2c1CCC2 1458a_100000051556_200000210301 [0,1,0,1,0,0|2,0,0]=4 9701 B13R2.5569 [13CH3]C(=O)c1cccc2c1CCC2 1458a_100000051556_200025704644 [0,1,0,1,0,0|2,0,0]=4 9702 B13R2.9 CNC1COc2c1cccc2Br 2230a_100025715106_200000210301 [0,1,0,1,0,0|2,0,0]=4 9703 B13R2.9 CNC1COc2c1cccc2F 2230a_200011230594_200000210301 [0,1,0,1,0,0|2,0,0]=4 9704 B13R2.9 CNC1COc2c1cccc2F 34a_200011230594_200000210301 [0,1,0,1,0,0|2,0,0]=4 9705 B13R2.9 CN[C@H]1COc2c1cccc2Cl 2230a_100102463758_200000210301 [0,1,0,1,0,0|2,0,0]=4 9706 B13R2.9 CN[C@H]1COc2c1cccc2Cl 34a_100102463758_200000210301 [0,1,0,1,0,0|2,0,0]=4 9707 B13R2.9 [13CH3]NC1COc2c1cccc2Br 2230a_100025715106_200025704644 [0,1,0,1,0,0|2,0,0]=4 9708 B13R2.9 [13CH3]NC1COc2c1cccc2F 2230a_200011230594_200025704644 [0,1,0,1,0,0|2,0,0]=4 9709 B13R2.9 [13CH3]NC1COc2c1cccc2F 34a_200011230594_200025704644 [0,1,0,1,0,0|2,0,0]=4 9710 B13R2.9 [13CH3]N[C@H]1COc2c1cccc2Cl 2230a_100102463758_200025704644 [0,1,0,1,0,0|2,0,0]=4 9711 B13R2.9 [13CH3]N[C@H]1COc2c1cccc2Cl 34a_100102463758_200025704644 [0,1,0,1,0,0|2,0,0]=4 9712 B13R2.121 CNc1c(ccc2c1CCC2)Br 2230a_202495424074_200000210301 [0,1,0,1,0,0|2,0,0]=4 9713 B13R2.121 CNc1c(ccc2c1CCC2)Br 34a_202495424074_200000210301 [0,1,0,1,0,0|2,0,0]=4 9714 B13R2.121 CNc1c(ccc2c1CCC2)C 2230a_202495413831_200000210301 [0,1,0,1,0,0|2,0,0]=4 9715 B13R2.121 CNc1c(ccc2c1CCC2)C 34a_202495413831_200000210301 [0,1,0,1,0,0|2,0,0]=4 9716 B13R2.121 COc1c(ccc2c1CCC2)Br 34a_100010662108_200000210301 [0,1,0,1,0,0|1,0,0]=3 9717 B13R2.121 COc1c(ccc2c1CCC2)Br 7a_100010662108_200000210301 [0,1,0,1,0,0|1,0,0]=3 9718 B13R2.121 COc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817061 [0,1,0,1,0,0|1,0,1]=4 9719 B13R2.121 Cc1ccc2c(c1N[13CH3])CCC2 2230a_202495413831_200025704644 [0,1,0,1,0,0|2,0,0]=4 9720 B13R2.121 Cc1ccc2c(c1N[13CH3])CCC2 34a_202495413831_200025704644 [0,1,0,1,0,0|2,0,0]=4 9721 B13R2.121 [13CH3]Nc1c(ccc2c1CCC2)Br 2230a_202495424074_200025704644 [0,1,0,1,0,0|2,0,0]=4 9722 B13R2.121 [13CH3]Nc1c(ccc2c1CCC2)Br 34a_202495424074_200025704644 [0,1,0,1,0,0|2,0,0]=4 9723 B13R2.121 [13CH3]Oc1c(ccc2c1CCC2)Br 34a_100010662108_200025704644 [0,1,0,1,0,0|1,0,0]=3 9724 B13R2.121 [13CH3]Oc1c(ccc2c1CCC2)Br 7a_100010662108_200025704644 [0,1,0,1,0,0|1,0,0]=3 9725 B13R2.2615 CNc1c(cccc1C2CC2)N 271570a_100011220607_100010510394 [0,1,0,1,0,0|2,0,0]=4 9726 B13R2.2615 COc1c(cccc1C2CC2)Br 271570a_100011220607_100010146560 [0,1,0,1,0,0|1,0,0]=3 9727 B13R2.2615 COc1c(cccc1C2CC2)Br 34a_100010664954_200000210301 [0,1,0,1,0,0|1,0,0]=3 9728 B13R2.2615 COc1c(cccc1C2CC2)Br 7a_100010664954_200000210301 [0,1,0,1,0,0|1,0,0]=3 9729 B13R2.2615 COc1c(cccc1C2CC2)C 271570a_100011220607_100010141385 [0,1,0,1,0,0|1,0,0]=3 9730 B13R2.2615 COc1c(cccc1C2CC2)Cl 271570a_100011220607_100010147678 [0,1,0,1,0,0|1,0,0]=3 9731 B13R2.2615 COc1c(cccc1C2CC2)F 271570a_100011220607_100009816759 [0,1,0,1,0,0|1,0,0]=3 9732 B13R2.2615 COc1c(cccc1C2CC2)F 34a_100010673447_200000210301 [0,1,0,1,0,0|1,0,0]=3 9733 B13R2.2615 COc1c(cccc1C2CC2)F 7a_100010673447_200000210301 [0,1,0,1,0,0|1,0,0]=3 9734 B13R2.2615 COc1c(cccc1C2CC2)N 271570a_100011220607_100011935253 [0,1,0,1,0,0|1,0,0]=3 9735 B13R2.2615 COc1c(cccc1C2CC2)O 271570a_100011220607_100010234590 [0,1,0,1,0,0|1,0,0]=3 9736 B13R2.2615 COc1c(ccnc1C)C2CC2 271570a_100011220607_100000685116 [0,1,0,1,0,0|2,0,0]=4 9737 B13R2.2615 COc1c(ccnc1C2CC2)N 271570a_100011220607_100000104429 [0,1,0,1,0,0|2,0,0]=4 9738 B13R2.2615 COc1c(ccnc1C2CC2)O 271570a_100011220607_100000104430 [0,1,0,1,0,0|2,0,0]=4 9739 B13R2.2615 COc1c(ccnc1Cl)C2CC2 271570a_100011220607_100010068014 [0,1,0,1,0,0|2,0,0]=4 9740 B13R2.2615 COc1c(ccnc1N)C2CC2 271570a_100011220607_100009880012 [0,1,0,1,0,0|2,0,0]=4 9741 B13R2.2615 COc1c(cncc1C2CC2)N 271570a_100011220607_100012359933 [0,1,0,1,0,0|2,0,0]=4 9742 B13R2.2615 CSc1c(cccc1C2CC2)F 271570a_100011220607_200010709249 [0,1,0,1,0,0|1,1,0]=4 9743 B13R2.2615 [13CH3]Oc1c(cccc1C2CC2)Br 34a_100010664954_200025704644 [0,1,0,1,0,0|1,0,0]=3 9744 B13R2.2615 [13CH3]Oc1c(cccc1C2CC2)Br 7a_100010664954_200025704644 [0,1,0,1,0,0|1,0,0]=3 9745 B13R2.2615 [13CH3]Oc1c(cccc1C2CC2)F 34a_100010673447_200025704644 [0,1,0,1,0,0|1,0,0]=3 9746 B13R2.2615 [13CH3]Oc1c(cccc1C2CC2)F 7a_100010673447_200025704644 [0,1,0,1,0,0|1,0,0]=3 9747 B13R2.342 O=C1NCCc2c1cccc2O 271570a_203496583355_100000695023 [0,1,0,1,0,0|2,0,0]=4 9748 B13R2.644 CCc1cccc(c1C2CC2)C 271570a_100011220607_100000036235 [0,1,0,1,0,0|2,0,0]=4 9749 B13R2.644 CNc1cccc(c1C2CC2)F 34a_100114072990_200000210301 [0,1,0,1,0,0|2,0,0]=4 9750 B13R2.644 CNc1cccc(c1C2CC2)F 7a_100114072990_200000210301 [0,1,0,1,0,0|2,0,0]=4 9751 B13R2.644 COc1cccc(c1C2CC2)Br 271570a_100011220607_100010131421 [0,1,0,1,0,0|1,0,0]=3 9752 B13R2.644 COc1cccc(c1C2CC2)F 271570a_100011220607_100000041735 [0,1,0,1,0,0|1,0,0]=3 9753 B13R2.644 COc1cccc(c1C2CC2)N 271570a_100011220607_100000703447 [0,1,0,1,0,0|1,0,0]=3 9754 B13R2.644 COc1cccc(c1C2CC2)O 271570a_100011220607_100010202623 [0,1,0,1,0,0|1,0,0]=3 9755 B13R2.644 COc1nccc(c1C2CC2)C 271570a_100011220607_100012353928 [0,1,0,1,0,0|2,0,0]=4 9756 B13R2.644 COc1nccc(c1C2CC2)N 271570a_100011220607_100010243811 [0,1,0,1,0,0|2,0,0]=4 9757 B13R2.644 CSc1cccc(c1C2CC2)F 62a_100010780639_200000210301 [0,1,0,1,0,0|1,1,0]=4 9758 B13R2.644 CSc1cccc(c1C2CC2)F 62a_200000210301_100010780639 [0,1,0,1,0,0|1,1,0]=4 9759 B13R2.644 [13CH3]Nc1cccc(c1C2CC2)F 34a_100114072990_200025704644 [0,1,0,1,0,0|2,0,0]=4 9760 B13R2.644 [13CH3]Nc1cccc(c1C2CC2)F 7a_100114072990_200025704644 [0,1,0,1,0,0|2,0,0]=4 9761 B13R2.644 [13CH3]Sc1cccc(c1C2CC2)F 62a_100010780639_200025704644 [0,1,0,1,0,0|1,1,0]=4 9762 B13R2.644 [13CH3]Sc1cccc(c1C2CC2)F 62a_200025704644_100010780639 [0,1,0,1,0,0|1,1,0]=4 9763 B13R2.2091 CN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_200000210301 [0,1,0,1,0,0|2,0,0]=4 9764 B13R2.2091 CN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_200000210301 [0,1,0,1,0,0|2,0,0]=4 9765 B13R2.2091 [13CH3]N[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_200025704644 [0,1,0,1,0,0|2,0,0]=4 9766 B13R2.2091 [13CH3]N[C@@H]1COc2c1c(ccc2)F 34a_200015272058_200025704644 [0,1,0,1,0,0|2,0,0]=4 9767 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [1,0,0,0,1,0|1,1,0]=4 9768 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [1,0,0,0,1,0|1,1,0]=4 9769 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [1,0,0,0,1,0|1,1,0]=4 9770 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [1,0,0,0,1,0|1,1,0]=4 9771 B9R1.14 CCc1cscc1SC 62a_100011068457_200000210301 [1,0,0,0,1,0|1,1,0]=4 9772 B9R1.14 CCc1cscc1SC 62a_200000210301_100011068457 [1,0,0,0,1,0|1,1,0]=4 9773 B9R1.14 CCc1cscc1S[13CH3] 62a_100011068457_200025704644 [1,0,0,0,1,0|1,1,0]=4 9774 B9R1.14 CCc1cscc1S[13CH3] 62a_200025704644_100011068457 [1,0,0,0,1,0|1,1,0]=4 9775 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [1,0,0,0,1,0|2,0,0]=4 9776 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [1,0,0,0,1,0|2,0,0]=4 9777 B9R1.14 CSc1sccc1CN 62a_100000727803_200000210301 [1,0,0,0,1,0|1,1,0]=4 9778 B9R1.14 CSc1sccc1CN 62a_200000210301_100000727803 [1,0,0,0,1,0|1,1,0]=4 9779 B9R1.14 [13CH3]Sc1sccc1CN 62a_100000727803_200025704644 [1,0,0,0,1,0|1,1,0]=4 9780 B9R1.14 [13CH3]Sc1sccc1CN 62a_200025704644_100000727803 [1,0,0,0,1,0|1,1,0]=4